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[NH2+]C[C@@]2(C)CCN(C(=O)c3cc[nH]c3)C2)cc1C ZINC001569669397 1085500522 /nfs/dbraw/zinc/50/05/22/1085500522.db2.gz MXNYTRFIEHDXCU-HXUWFJFHSA-N 1 0 341.455 2.974 10 10 EFCERO CC/C(C)=C\C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001570138806 1085974882 /nfs/dbraw/zinc/97/48/82/1085974882.db2.gz COMCUDPQWNPXOU-BXBOZWQASA-N 1 0 346.471 2.677 10 10 EFCERO CC[C@@H](C)C[NH2+]CC1CC(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001570582836 1086380568 /nfs/dbraw/zinc/38/05/68/1086380568.db2.gz XXAKLTVIOBHAIO-VEAWUBTESA-N 1 0 345.447 2.993 10 10 EFCERO CCCC[NH2+]CC1CC(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001570582658 1086381050 /nfs/dbraw/zinc/38/10/50/1086381050.db2.gz RFGDAPBTUOPKIL-UHFFFAOYSA-N 1 0 331.420 2.747 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2ccnc(F)c2)cc1C ZINC001570594183 1086395024 /nfs/dbraw/zinc/39/50/24/1086395024.db2.gz YKMDILXLOHVBEA-KBPBESRZSA-N 1 0 345.418 2.834 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2nc(C)oc2C)cc1C ZINC001570641005 1086428369 /nfs/dbraw/zinc/42/83/69/1086428369.db2.gz IATZKCCSMQTFSY-OLZOCXBDSA-N 1 0 345.443 2.905 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2nc(C)oc2C)cc1C ZINC001570641003 1086428501 /nfs/dbraw/zinc/42/85/01/1086428501.db2.gz IATZKCCSMQTFSY-CHWSQXEVSA-N 1 0 345.443 2.905 10 10 EFCERO COc1ccc(C[NH2+]CC(C)(C)CN(C)C(=O)c2cocn2)cc1C ZINC001570671587 1086451710 /nfs/dbraw/zinc/45/17/10/1086451710.db2.gz YVLHVUYFBFNQNO-UHFFFAOYSA-N 1 0 345.443 2.880 10 10 EFCERO CN(CC(C)(C)C[NH2+]CCF)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001570691480 1086462670 /nfs/dbraw/zinc/46/26/70/1086462670.db2.gz VDDPADJRTKSFBC-UHFFFAOYSA-N 1 0 337.399 2.506 10 10 EFCERO CC[C@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001571198136 1086676117 /nfs/dbraw/zinc/67/61/17/1086676117.db2.gz XXAKLTVIOBHAIO-XEZPLFJOSA-N 1 0 345.447 2.993 10 10 EFCERO CC(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001571203657 1086676262 /nfs/dbraw/zinc/67/62/62/1086676262.db2.gz OQSHPGIQMCIIJS-SAZUREKKSA-N 1 0 345.447 2.993 10 10 EFCERO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](C)c1ccccc1O ZINC001648054659 1089936381 /nfs/dbraw/zinc/93/63/81/1089936381.db2.gz ZBFABKDPMYRJDY-LBPRGKRZSA-N 1 0 329.356 2.898 10 10 EFCERO CCc1noc(C)c1C(=O)NC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001266995816 1092281178 /nfs/dbraw/zinc/28/11/78/1092281178.db2.gz ZDCCAGKMRSRSTN-ZDUSSCGKSA-N 1 0 345.443 2.771 10 10 EFCERO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H](C)OCC3CC3)C2)cc1C ZINC001267005656 1092307686 /nfs/dbraw/zinc/30/76/86/1092307686.db2.gz PHUIQNACBUISLU-QAPCUYQASA-N 1 0 346.471 2.509 10 10 EFCERO CCO[C@H](CC)C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001267033297 1092412325 /nfs/dbraw/zinc/41/23/25/1092412325.db2.gz SMMVISZWNAUBLY-ZWKOTPCHSA-N 1 0 348.487 2.757 10 10 EFCERO CC(C)C[NH2+]CCC[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001649468346 1092508526 /nfs/dbraw/zinc/50/85/26/1092508526.db2.gz AXLUNHHFOUCJLB-ZDUSSCGKSA-N 1 0 333.436 2.993 10 10 EFCERO Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)c(O)c1O ZINC001587534535 1092818709 /nfs/dbraw/zinc/81/87/09/1092818709.db2.gz QGHPCOMSSWIZPZ-HNNXBMFYSA-N 1 0 332.444 2.933 10 10 EFCERO CCc1ncoc1C(=O)NCC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267144907 1092902594 /nfs/dbraw/zinc/90/25/94/1092902594.db2.gz JETJAYMUADPWCF-AWEZNQCLSA-N 1 0 345.443 2.852 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2[nH]c(C)nc2C)cc1C ZINC001267144837 1092903368 /nfs/dbraw/zinc/90/33/68/1092903368.db2.gz HIVUGTFCUYWTNY-CYBMUJFWSA-N 1 0 344.459 2.642 10 10 EFCERO CN1CCC[C@H]1C[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708171593 1093203045 /nfs/dbraw/zinc/20/30/45/1093203045.db2.gz MHIOAHHPPWSSSP-NSHDSACASA-N 1 0 333.657 2.992 10 10 EFCERO c1cc(N2CCOCC2)ccc1CN[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001650630274 1093475425 /nfs/dbraw/zinc/47/54/25/1093475425.db2.gz KEOQDVIOTQAKHJ-HXUWFJFHSA-N 1 0 343.515 2.877 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)C2C=CC=CC=C2)cc1C ZINC001267378594 1094390253 /nfs/dbraw/zinc/39/02/53/1094390253.db2.gz CHNGKDCQHOULNT-UHFFFAOYSA-N 1 0 326.440 2.850 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)NCC[C@H]2CC[N@H+](CCCF)C2)cc1 ZINC001267604699 1094458055 /nfs/dbraw/zinc/45/80/55/1094458055.db2.gz BFSYOMAMYKXNRD-ZDUSSCGKSA-N 1 0 349.410 2.650 10 10 EFCERO CC(C)C[N@@H+]1CC[C@H](CCNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001267605150 1094471742 /nfs/dbraw/zinc/47/17/42/1094471742.db2.gz MVDDHUFZLINJEY-AWEZNQCLSA-N 1 0 345.447 2.947 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)CCc2cncs2)cc1C ZINC001267428780 1094514452 /nfs/dbraw/zinc/51/44/52/1094514452.db2.gz BXMVKKGFTASCIK-UHFFFAOYSA-N 1 0 347.484 2.641 10 10 EFCERO O=C(NCc1c(O)cccc1O)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC001597573355 1094602856 /nfs/dbraw/zinc/60/28/56/1094602856.db2.gz DBYCYRKLYUVYER-KRWDZBQOSA-N 1 0 340.423 2.594 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)CCc2nccs2)cc1C ZINC001267470867 1094744330 /nfs/dbraw/zinc/74/43/30/1094744330.db2.gz POHLJANQKBMDKR-UHFFFAOYSA-N 1 0 347.484 2.641 10 10 EFCERO CC(C)CCC[N@H+](C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001480954768 1094964162 /nfs/dbraw/zinc/96/41/62/1094964162.db2.gz LTIGOWKLGKVVPP-UHFFFAOYSA-N 1 0 333.436 2.947 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2ccncc2)cc1C ZINC001268051879 1095002401 /nfs/dbraw/zinc/00/24/01/1095002401.db2.gz UEVFBVMAXUBJDS-OAHLLOKOSA-N 1 0 327.428 2.649 10 10 EFCERO COc1ccc(C[NH2+]CC[C@@H]2CCCCN2C(=O)[C@@H](C)OC)cc1C ZINC001268145365 1095505137 /nfs/dbraw/zinc/50/51/37/1095505137.db2.gz LLROGGHRVYMXHH-AEFFLSMTSA-N 1 0 348.487 2.899 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)NCC2C[NH+](CCCCCF)C2)cc1 ZINC001267701302 1095521246 /nfs/dbraw/zinc/52/12/46/1095521246.db2.gz PADAFMUDLPARAA-UHFFFAOYSA-N 1 0 349.410 2.650 10 10 EFCERO CC(C)[N@@H+]1CC[C@H](CCNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001267572448 1095744183 /nfs/dbraw/zinc/74/41/83/1095744183.db2.gz ZUYRZMVFLWXOFK-ZDUSSCGKSA-N 1 0 331.420 2.699 10 10 EFCERO COc1ccc(C[NH2+][C@H](CNC(=O)c2conc2C)C(C)C)cc1C ZINC001268217369 1096120079 /nfs/dbraw/zinc/12/00/79/1096120079.db2.gz VOTUOIDQCCZECS-QGZVFWFLSA-N 1 0 345.443 2.844 10 10 EFCERO COc1ccc(C[NH2+][C@H](CNC(=O)[C@]2(C)CCOC2)C(C)C)cc1C ZINC001268223631 1096126129 /nfs/dbraw/zinc/12/61/29/1096126129.db2.gz XIVZWCYFGJCZIR-YLJYHZDGSA-N 1 0 348.487 2.661 10 10 EFCERO Cc1ccc(O)c(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC001603554518 1096551513 /nfs/dbraw/zinc/55/15/13/1096551513.db2.gz FZJRBZGSNPDFLR-GOSISDBHSA-N 1 0 341.455 2.799 10 10 EFCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)c1cccc(C)n1 ZINC001268435945 1096596629 /nfs/dbraw/zinc/59/66/29/1096596629.db2.gz PRAQMHPMFJXVPX-UHFFFAOYSA-N 1 0 341.455 2.959 10 10 EFCERO CC[C@H](CNC(=O)c1nccn1CC)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001481809953 1096723359 /nfs/dbraw/zinc/72/33/59/1096723359.db2.gz YVLMJGIWEUVCRK-MRXNPFEDSA-N 1 0 344.459 2.518 10 10 EFCERO CC[C@@H](CNC(=O)C[C@H]1CCCOC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001481877603 1096857979 /nfs/dbraw/zinc/85/79/79/1096857979.db2.gz FKTUBDLDEJTCIS-MSOLQXFVSA-N 1 0 348.487 2.805 10 10 EFCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)c2ccsn2)cc1C ZINC001268554939 1097183088 /nfs/dbraw/zinc/18/30/88/1097183088.db2.gz LGORABUFUGJZRS-ONEGZZNKSA-N 1 0 331.441 2.536 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@@H]2CCCOCC2)cc1C ZINC001482097113 1097259681 /nfs/dbraw/zinc/25/96/81/1097259681.db2.gz SPFOHYPKJXZOQP-CRAIPNDOSA-N 1 0 348.487 2.662 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)Cc2cncc(C)c2)cc1C ZINC001268656039 1097510462 /nfs/dbraw/zinc/51/04/62/1097510462.db2.gz MFOCFEPGMQEVDY-MRXNPFEDSA-N 1 0 341.455 2.544 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)CCc2nccs2)cc1C ZINC001268673106 1097525102 /nfs/dbraw/zinc/52/51/02/1097525102.db2.gz GABGVPXGBQNAFH-CQSZACIVSA-N 1 0 347.484 2.687 10 10 EFCERO COc1ccc(C[NH2+]CCCN(C)C(=O)c2ccc(F)cn2)cc1C ZINC001268787948 1097636730 /nfs/dbraw/zinc/63/67/30/1097636730.db2.gz RMJFXJFZDTWKNN-UHFFFAOYSA-N 1 0 345.418 2.790 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@H](C)CSC)CC2)cc1C ZINC001269388527 1098104893 /nfs/dbraw/zinc/10/48/93/1098104893.db2.gz PWYCKHCJFXYKSG-CQSZACIVSA-N 1 0 336.501 2.741 10 10 EFCERO CC[NH2+]CC[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001269805122 1098454737 /nfs/dbraw/zinc/45/47/37/1098454737.db2.gz QTRZUTVSXNTOOX-ZDUSSCGKSA-N 1 0 331.420 2.701 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)c2cc(C)on2)cc1C ZINC001482252439 1098528908 /nfs/dbraw/zinc/52/89/08/1098528908.db2.gz CPJNPRRTDDVQFC-ZDUSSCGKSA-N 1 0 331.416 2.550 10 10 EFCERO CC[NH+]1CCC(CCNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001267948370 1098806255 /nfs/dbraw/zinc/80/62/55/1098806255.db2.gz BEUOMBDXDYYTCO-UHFFFAOYSA-N 1 0 331.420 2.701 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@@H]2C[C@H]2C2CC2)cc1C ZINC001268007201 1099154539 /nfs/dbraw/zinc/15/45/39/1099154539.db2.gz UCQVTDZKMFTCPN-JEBQAFNWSA-N 1 0 330.472 2.892 10 10 EFCERO CC(C)[N@H+](C)Cc1cccc(CNC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001616634447 1099186503 /nfs/dbraw/zinc/18/65/03/1099186503.db2.gz VSAPDBSIFGGNPW-UHFFFAOYSA-N 1 0 342.439 2.797 10 10 EFCERO CC1CCN(c2ccc(CNC(=O)CC[N@@H+]3CC[C@@H](F)C3)cc2)CC1 ZINC001616695501 1099189380 /nfs/dbraw/zinc/18/93/80/1099189380.db2.gz RDKWDYVVMWMMNY-GOSISDBHSA-N 1 0 347.478 2.973 10 10 EFCERO CC[C@@H](CNC(=O)CC(F)(F)F)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267797072 1099289256 /nfs/dbraw/zinc/28/92/56/1099289256.db2.gz BCHUICZNYRVMDC-ZDUSSCGKSA-N 1 0 332.366 2.940 10 10 EFCERO CC[C@@H](CNC(=O)c1cnn(CC)c1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267801215 1099306712 /nfs/dbraw/zinc/30/67/12/1099306712.db2.gz SAXSEXREQLJETF-KRWDZBQOSA-N 1 0 344.459 2.518 10 10 EFCERO COC(=O)C[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CCCCC1 ZINC001620284488 1099348886 /nfs/dbraw/zinc/34/88/86/1099348886.db2.gz KJBQKXCGOCWAON-UHFFFAOYSA-N 1 0 346.471 2.831 10 10 EFCERO COC(=O)[C@@]1(C)C[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C[C@@H]1C ZINC001620492894 1099355311 /nfs/dbraw/zinc/35/53/11/1099355311.db2.gz DJMZLNLKRKKYIN-BTDLBPIBSA-N 1 0 339.819 2.879 10 10 EFCERO c1cc(OCC[NH2+]Cc2ccc3c(c2)CCCO3)cc2c1OCO2 ZINC001620736424 1099376832 /nfs/dbraw/zinc/37/68/32/1099376832.db2.gz LBHSDOCSDSPUFE-UHFFFAOYSA-N 1 0 327.380 2.909 10 10 EFCERO CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000796701634 1099796846 /nfs/dbraw/zinc/79/68/46/1099796846.db2.gz HLVTUGVQCPHHOO-NEWSRXKRSA-N 1 0 329.488 2.913 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)N2CCC[C@H](CC[NH2+]CCF)C2)cc1 ZINC001267901113 1099976594 /nfs/dbraw/zinc/97/65/94/1099976594.db2.gz UNOYPNGNIFRBQQ-CYBMUJFWSA-N 1 0 349.410 2.650 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@H](CC[NH2+]CCF)C2)cc1 ZINC001267901114 1099976836 /nfs/dbraw/zinc/97/68/36/1099976836.db2.gz UNOYPNGNIFRBQQ-ZDUSSCGKSA-N 1 0 349.410 2.650 10 10 EFCERO Cc1ccc(C(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c(O)c1O ZINC001628279102 1100084136 /nfs/dbraw/zinc/08/41/36/1100084136.db2.gz YOAFMCAJZHGZCJ-HXUWFJFHSA-N 1 0 340.423 2.801 10 10 EFCERO COc1ccc(N2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)CC2)cc1 ZINC001630081586 1100273842 /nfs/dbraw/zinc/27/38/42/1100273842.db2.gz MFGIMBTUHYGSSL-UHFFFAOYSA-N 1 0 345.487 2.608 10 10 EFCERO COCC(C)(C)C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001271035735 1100406540 /nfs/dbraw/zinc/40/65/40/1100406540.db2.gz NTPDAAWKYDYEOO-HNNXBMFYSA-N 1 0 336.476 2.613 10 10 EFCERO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001633818489 1100567079 /nfs/dbraw/zinc/56/70/79/1100567079.db2.gz JIXWFLYKDMJPDW-WMLDXEAASA-N 1 0 346.471 2.942 10 10 EFCERO CC[C@@H](C)CONC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001635635687 1100671452 /nfs/dbraw/zinc/67/14/52/1100671452.db2.gz RKBVPTKTBPEXEV-PBHICJAKSA-N 1 0 336.480 2.632 10 10 EFCERO C[N@H+](CC(=O)NCc1c(O)ccc2ccccc21)[C@@H]1CCSC1 ZINC001635965208 1100690216 /nfs/dbraw/zinc/69/02/16/1100690216.db2.gz QOPPMFDUHRXQDN-CQSZACIVSA-N 1 0 330.453 2.599 10 10 EFCERO COc1cc([N+](=O)[O-])c(N2CC[C@H](C[NH+]3CCCCC3)C2)cc1OC ZINC001639489646 1100956311 /nfs/dbraw/zinc/95/63/11/1100956311.db2.gz RWMSHSADSVCOSD-CQSZACIVSA-N 1 0 349.431 2.924 10 10 EFCERO Cc1cc(CN2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)ccc1N1CCCCC1 ZINC001642802184 1101243972 /nfs/dbraw/zinc/24/39/72/1101243972.db2.gz CBXFLDOAAIHLRC-OALUTQOASA-N 1 0 345.531 2.872 10 10 EFCERO COc1cc([N+](=O)[O-])c(N2CC[NH2+][C@@H](c3ccccc3)C2)cc1OC ZINC001643213862 1101280137 /nfs/dbraw/zinc/28/01/37/1101280137.db2.gz OMXHWBLBCULEAE-CQSZACIVSA-N 1 0 343.383 2.763 10 10 EFCERO Cc1cc(C=O)c(C)n1-c1cc(C(=O)NC[C@@H]2CC[N@H+]2C)ccc1C ZINC001652329197 1101479786 /nfs/dbraw/zinc/47/97/86/1101479786.db2.gz XFQRAUVEWKHDRG-SFHVURJKSA-N 1 0 339.439 2.649 10 10 EFCERO CCCC[N@H+](CCNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001266621550 1101544011 /nfs/dbraw/zinc/54/40/11/1101544011.db2.gz FKPFOXLMQZDNNM-UHFFFAOYSA-N 1 0 331.420 2.843 10 10 EFCERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)c1ccccc1O ZINC001655349608 1101812230 /nfs/dbraw/zinc/81/22/30/1101812230.db2.gz MWCZSPLUTJJJOV-LBPRGKRZSA-N 1 0 329.356 2.898 10 10 EFCERO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccccc2O)c([N+](=O)[O-])c1 ZINC001655349808 1101813536 /nfs/dbraw/zinc/81/35/36/1101813536.db2.gz UCRKCVYHXXZYDF-NSHDSACASA-N 1 0 345.355 2.598 10 10 EFCERO c1cc2c(cc1C[NH2+][C@H]1CCCC[C@@H]1N1CCOCC1)CCCO2 ZINC001656709636 1102179793 /nfs/dbraw/zinc/17/97/93/1102179793.db2.gz DDYSCDQNQCFARB-OALUTQOASA-N 1 0 330.472 2.745 10 10 EFCERO COc1ccc(C[NH2+][C@H](CNC(=O)c2cocn2)C(C)C)cc1C ZINC001482521757 1102562017 /nfs/dbraw/zinc/56/20/17/1102562017.db2.gz JLARGRMLBLITJG-OAHLLOKOSA-N 1 0 331.416 2.536 10 10 EFCERO COc1ccc(C[NH2+][C@@H](CNC(=O)C2=CCOCC2)C(C)C)cc1C ZINC001271830401 1102848910 /nfs/dbraw/zinc/84/89/10/1102848910.db2.gz QJTPRTZZCXPGOT-SFHVURJKSA-N 1 0 346.471 2.581 10 10 EFCERO c1cc(C[NH2+]Cc2ccc3c(c2)CCO3)cc(CN2CCOCC2)c1 ZINC000077329472 1103202449 /nfs/dbraw/zinc/20/24/49/1103202449.db2.gz DQRLRFFSTVPHKP-UHFFFAOYSA-N 1 0 338.451 2.744 10 10 EFCERO CN(C)c1ccc(CNC(=O)c2cccc(CC[NH+](C)C)c2)cc1F ZINC001625951589 1103249463 /nfs/dbraw/zinc/24/94/63/1103249463.db2.gz HZHBUKDYNCLBBS-UHFFFAOYSA-N 1 0 343.446 2.926 10 10 EFCERO CC[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001661515651 1103288892 /nfs/dbraw/zinc/28/88/92/1103288892.db2.gz QAVPZLWIFBIRKW-KCPJHIHWSA-N 1 0 331.420 2.746 10 10 EFCERO C[C@]1([C@@H]2CCC[N@H+](Cc3cc4c(cc3O)CCCC4)C2)COC(=O)N1 ZINC000905701826 1103511100 /nfs/dbraw/zinc/51/11/00/1103511100.db2.gz RYPCVVDBUHAKTE-YLJYHZDGSA-N 1 0 344.455 2.982 10 10 EFCERO C[C@]1([C@H]2CCC[N@H+](Cc3cc4c(cc3O)CCCC4)C2)COC(=O)N1 ZINC000905701823 1103511738 /nfs/dbraw/zinc/51/17/38/1103511738.db2.gz RYPCVVDBUHAKTE-FXAWDEMLSA-N 1 0 344.455 2.982 10 10 EFCERO Oc1cc2c(cc1C[N@@H+]1CCC[C@H](Cc3nccs3)C1)[C@H](O)CO2 ZINC000905732953 1103567668 /nfs/dbraw/zinc/56/76/68/1103567668.db2.gz CUXGOMPBVXWTHL-MLGOLLRUSA-N 1 0 346.452 2.729 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2cnc(C)s2)cc1C ZINC001662180018 1103614936 /nfs/dbraw/zinc/61/49/36/1103614936.db2.gz NJMWINNBONPCDV-GFCCVEGCSA-N 1 0 333.457 2.677 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)Cc2ccccc2)cc1C ZINC001662262873 1103642055 /nfs/dbraw/zinc/64/20/55/1103642055.db2.gz NMNFLWSNQMTAOW-INIZCTEOSA-N 1 0 326.440 2.841 10 10 EFCERO CC[C@@](O)(C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1)C(F)(F)F ZINC000905914800 1103728189 /nfs/dbraw/zinc/72/81/89/1103728189.db2.gz KMEPXAPJNSYEJJ-MRXNPFEDSA-N 1 0 346.393 2.911 10 10 EFCERO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc1C ZINC001483492197 1103813050 /nfs/dbraw/zinc/81/30/50/1103813050.db2.gz KBMZGIZBLHOPQW-LMMKCTJWSA-N 1 0 346.471 2.509 10 10 EFCERO C[C@H]1C[C@@H](C(=O)NCc2ccc(N3CCSCC3)cc2)CC[N@@H+]1C ZINC001625969574 1104311662 /nfs/dbraw/zinc/31/16/62/1104311662.db2.gz FXWPULVBOFTLOG-RDJZCZTQSA-N 1 0 347.528 2.586 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@H](OC)C3CCC3)CC2)cc1C ZINC001670829167 1104481289 /nfs/dbraw/zinc/48/12/89/1104481289.db2.gz FOYVWPSLXXPHKB-GOSISDBHSA-N 1 0 346.471 2.557 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2ccncc2)cc1C ZINC001666505638 1104954072 /nfs/dbraw/zinc/95/40/72/1104954072.db2.gz PNIOULDAHUGMMK-CQSZACIVSA-N 1 0 327.428 2.554 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2cscn2)cc1C ZINC001666865168 1105010679 /nfs/dbraw/zinc/01/06/79/1105010679.db2.gz QDVQWAJMEPKTND-CYBMUJFWSA-N 1 0 333.457 2.710 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)c2cnccc2C)cc1C ZINC001666876262 1105011854 /nfs/dbraw/zinc/01/18/54/1105011854.db2.gz FLXCTDLMMGXFBF-INIZCTEOSA-N 1 0 341.455 2.957 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)c2oc(C)nc2C)cc1C ZINC001666877758 1105012412 /nfs/dbraw/zinc/01/24/12/1105012412.db2.gz ZSLZSIWMQFGZIG-ZDUSSCGKSA-N 1 0 345.443 2.859 10 10 EFCERO CCc1ncoc1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001666987578 1105032101 /nfs/dbraw/zinc/03/21/01/1105032101.db2.gz LHASRDJBUYNKRH-AWEZNQCLSA-N 1 0 345.443 2.804 10 10 EFCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)c2ccc(F)cn2)cc1C ZINC001482824098 1105055560 /nfs/dbraw/zinc/05/55/60/1105055560.db2.gz DDJODWBMWKEKAK-AWEZNQCLSA-N 1 0 345.418 2.836 10 10 EFCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)Cc2ccoc2)cc1C ZINC001482826199 1105057641 /nfs/dbraw/zinc/05/76/41/1105057641.db2.gz HWYFGIUQVXZOCQ-OAHLLOKOSA-N 1 0 330.428 2.824 10 10 EFCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)c2[nH]c(C)nc2C)cc1C ZINC001482875218 1105125091 /nfs/dbraw/zinc/12/50/91/1105125091.db2.gz QACJOXJUFJQVOR-ZDUSSCGKSA-N 1 0 344.459 2.642 10 10 EFCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)c1oncc1C ZINC001482958755 1105243161 /nfs/dbraw/zinc/24/31/61/1105243161.db2.gz GAHINBCRQBPSAF-UHFFFAOYSA-N 1 0 331.416 2.552 10 10 EFCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)c1c(C)ccn1C ZINC001668411726 1105294357 /nfs/dbraw/zinc/29/43/57/1105294357.db2.gz DPEVVBAZSSNTAW-UHFFFAOYSA-N 1 0 343.471 2.902 10 10 EFCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)[C@H]2CCC2(F)F)cc1C ZINC001668877921 1105391539 /nfs/dbraw/zinc/39/15/39/1105391539.db2.gz SBHGHFLXZZILCZ-ABCZVMIZSA-N 1 0 338.398 2.811 10 10 EFCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)C2(C)CCOCC2)cc1C ZINC001669091687 1105433067 /nfs/dbraw/zinc/43/30/67/1105433067.db2.gz PQURFPJZTBFJJC-SNAWJCMRSA-N 1 0 346.471 2.582 10 10 EFCERO CC[C@@H]1CC[C@H](C(=O)NC/C=C\C[NH2+]Cc2ccc(OC)c(C)c2)O1 ZINC001483015178 1105556395 /nfs/dbraw/zinc/55/63/95/1105556395.db2.gz FYMRXZAKUNOOLL-ZMGAVLDPSA-N 1 0 346.471 2.723 10 10 EFCERO COc1ccc(C[NH2+]CCCN(C)C(=O)c2cccnc2C)cc1C ZINC001670228274 1105600147 /nfs/dbraw/zinc/60/01/47/1105600147.db2.gz GFQXEWQLBSKDBD-UHFFFAOYSA-N 1 0 341.455 2.959 10 10 EFCERO C[NH+](C)[C@H]1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000897570692 1105757818 /nfs/dbraw/zinc/75/78/18/1105757818.db2.gz ZHWZHZNGCBOKTQ-LBPRGKRZSA-N 1 0 334.441 2.869 10 10 EFCERO O=C(NCC1CC[NH+](C2CC2)CC1)c1cc2cc(O)c(O)cc2s1 ZINC000897587057 1105806366 /nfs/dbraw/zinc/80/63/66/1105806366.db2.gz FAHYXQPZOLLBOI-UHFFFAOYSA-N 1 0 346.452 2.917 10 10 EFCERO COCC(=O)NC[C@H]1CC[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001672360523 1105813543 /nfs/dbraw/zinc/81/35/43/1105813543.db2.gz DNEMDFFKKNDCMR-QAQDUYKDSA-N 1 0 348.487 2.662 10 10 EFCERO COc1ccc(C[NH2+]CC[C@H]2CCN(C(=O)COC(C)C)C2)cc1C ZINC001672749955 1105893256 /nfs/dbraw/zinc/89/32/56/1105893256.db2.gz CBDNKTNVKJHOHX-KRWDZBQOSA-N 1 0 348.487 2.757 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)NCC2([NH2+]CC3CCC3)CCC2)cc1 ZINC001673241732 1105987993 /nfs/dbraw/zinc/98/79/93/1105987993.db2.gz BEDICOFZXUSNMU-UHFFFAOYSA-N 1 0 343.431 2.891 10 10 EFCERO COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000841963751 1106057146 /nfs/dbraw/zinc/05/71/46/1106057146.db2.gz WJQPITQCTXKHCG-CHWSQXEVSA-N 1 0 343.427 2.981 10 10 EFCERO C[C@@H]([NH3+])[C@H](C)NC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000842008116 1106159674 /nfs/dbraw/zinc/15/96/74/1106159674.db2.gz VUGXNKCUXGMZDG-CABCVRRESA-N 1 0 344.459 2.793 10 10 EFCERO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000897939944 1106161097 /nfs/dbraw/zinc/16/10/97/1106161097.db2.gz VUHCCOOSVFQBNM-GFCCVEGCSA-N 1 0 334.441 2.867 10 10 EFCERO CC1(C)CCC[N@@H+]1CCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897943392 1106161868 /nfs/dbraw/zinc/16/18/68/1106161868.db2.gz QLZIXTFSOUNFDB-UHFFFAOYSA-N 1 0 334.441 2.917 10 10 EFCERO C[NH+](C)C1CCC(NC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000897997220 1106172847 /nfs/dbraw/zinc/17/28/47/1106172847.db2.gz FELWRZOGHIJMOV-UHFFFAOYSA-N 1 0 334.441 2.915 10 10 EFCERO COc1ccc(C[NH2+]CC2CC(NC(=O)[C@H](C)SC)C2)cc1C ZINC001674521206 1106212044 /nfs/dbraw/zinc/21/20/44/1106212044.db2.gz ZPQQFRVZESIYSP-JEYLPNPQSA-N 1 0 336.501 2.740 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)Cc2cscn2)cc1C ZINC001674735358 1106247878 /nfs/dbraw/zinc/24/78/78/1106247878.db2.gz PKPMETFGOCXNMP-ZIAGYGMSSA-N 1 0 347.484 2.686 10 10 EFCERO CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)cc1 ZINC000925320947 1106383039 /nfs/dbraw/zinc/38/30/39/1106383039.db2.gz NJTMKDSYFBVJBE-MAUKXSAKSA-N 1 0 332.492 2.767 10 10 EFCERO CC(C)C(C)(C)CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001675580594 1106388544 /nfs/dbraw/zinc/38/85/44/1106388544.db2.gz SAHJBDKENKZTDR-UHFFFAOYSA-N 1 0 346.519 2.920 10 10 EFCERO COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@H](C)SC)C2)cc1C ZINC001677382225 1106711189 /nfs/dbraw/zinc/71/11/89/1106711189.db2.gz YAFODGMKEWBVPI-JEYLPNPQSA-N 1 0 336.501 2.834 10 10 EFCERO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000903301403 1107116576 /nfs/dbraw/zinc/11/65/76/1107116576.db2.gz QNPHXWJKJYJJPG-SUNYJGFJSA-N 1 0 337.895 2.920 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)c3cncs3)CC2)cc1C ZINC001483718967 1108266222 /nfs/dbraw/zinc/26/62/22/1108266222.db2.gz LQXBZVDGYVNFEN-UHFFFAOYSA-N 1 0 331.441 2.512 10 10 EFCERO CCO[C@@H](C[NH2+][C@H](C)c1ccc(Br)cc1O)CN(C)C ZINC000926957416 1108267234 /nfs/dbraw/zinc/26/72/34/1108267234.db2.gz BHSAHTGCRIDXNY-YPMHNXCESA-N 1 0 345.281 2.772 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)NC/C=C/C[NH2+]CCC2CC2)cc1 ZINC001483101390 1108665634 /nfs/dbraw/zinc/66/56/34/1108665634.db2.gz YSTBYXCXZPEXCT-VJFMSJPNSA-N 1 0 329.404 2.525 10 10 EFCERO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000898582906 1109022067 /nfs/dbraw/zinc/02/20/67/1109022067.db2.gz RLMBWOLODJNPFQ-LLVKDONJSA-N 1 0 334.441 2.915 10 10 EFCERO CCc1ncc(C(=O)N[C@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)s1 ZINC001483199989 1110002950 /nfs/dbraw/zinc/00/29/50/1110002950.db2.gz CNKSFVAPOSBNNE-CYBMUJFWSA-N 1 0 347.484 2.931 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)Cc3occc3C)CC2)cc1C ZINC001483767109 1112205618 /nfs/dbraw/zinc/20/56/18/1112205618.db2.gz ZPFKYUCJCOFCJS-UHFFFAOYSA-N 1 0 342.439 2.886 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)c3nccs3)CC2)cc1C ZINC001483776907 1112424875 /nfs/dbraw/zinc/42/48/75/1112424875.db2.gz INUVDUVKFKQVIP-UHFFFAOYSA-N 1 0 331.441 2.512 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H](OC)C(C)C)CCC2)cc1C ZINC001484649035 1113091476 /nfs/dbraw/zinc/09/14/76/1113091476.db2.gz CTVZKUTUYNVBDN-SFHVURJKSA-N 1 0 348.487 2.803 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)NCC2([NH2+]CC3CC3)CCC2)cc1 ZINC001484664497 1113104113 /nfs/dbraw/zinc/10/41/13/1113104113.db2.gz KSHXGRNRTMBKQO-UHFFFAOYSA-N 1 0 329.404 2.501 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C2=COCCC2)cc1C ZINC001485130629 1118058705 /nfs/dbraw/zinc/05/87/05/1118058705.db2.gz SNLWNTPIYQFMJZ-LSDHHAIUSA-N 1 0 332.444 2.681 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2ccn(C)c2C)cc1C ZINC001485190468 1118130819 /nfs/dbraw/zinc/13/08/19/1118130819.db2.gz POCNKYLJKXZGSO-HUUCEWRRSA-N 1 0 343.471 2.947 10 10 EFCERO CCCN(c1ccc(C[NH3+])cc1)C1CCC(CS(C)(=O)=O)CC1 ZINC000294493064 283308310 /nfs/dbraw/zinc/30/83/10/283308310.db2.gz BEYMGOWECWQWMB-UHFFFAOYSA-N 1 0 338.517 2.965 10 10 EFCERO NC(=O)[C@H]1Cc2ccccc2C[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000035421635 202301984 /nfs/dbraw/zinc/30/19/84/202301984.db2.gz OQFDWBRCNROOGY-LJQANCHMSA-N 1 0 332.403 2.958 10 10 EFCERO COc1ccc(/C=C2/SC(=S)N(CCC[NH+](C)C)C2=O)cc1 ZINC000096930751 201377697 /nfs/dbraw/zinc/37/76/97/201377697.db2.gz RJMNIBLBJGEZON-SDNWHVSQSA-N 1 0 336.482 2.848 10 10 EFCERO O=C1[C@@H]([NH2+]Cc2cc(F)ccc2O)CCN1Cc1ccc(F)cc1 ZINC000191807034 240008693 /nfs/dbraw/zinc/00/86/93/240008693.db2.gz DCUINHIIXIRFFC-INIZCTEOSA-N 1 0 332.350 2.561 10 10 EFCERO Cc1cccc(C[NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)c1O ZINC000191806967 240009078 /nfs/dbraw/zinc/00/90/78/240009078.db2.gz UNCNTSNVKMIEIN-QGZVFWFLSA-N 1 0 328.387 2.730 10 10 EFCERO COc1ccc(O)c([C@@H](C)[NH2+]C2CCN(c3ncccn3)CC2)c1 ZINC000192711724 240059893 /nfs/dbraw/zinc/05/98/93/240059893.db2.gz QDEDUYCXZMCAFT-CYBMUJFWSA-N 1 0 328.416 2.510 10 10 EFCERO Cc1cc(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)c(C)n1-c1ccccn1 ZINC000261786900 240323444 /nfs/dbraw/zinc/32/34/44/240323444.db2.gz GILJBVFUTQIRDQ-INIZCTEOSA-N 1 0 326.444 2.689 10 10 EFCERO Cc1cc(C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)c(C)n1-c1ccccn1 ZINC000261786901 240324883 /nfs/dbraw/zinc/32/48/83/240324883.db2.gz GILJBVFUTQIRDQ-MRXNPFEDSA-N 1 0 326.444 2.689 10 10 EFCERO Cn1ccnc1C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000266145916 240475040 /nfs/dbraw/zinc/47/50/40/240475040.db2.gz IWFFIOAUVKTMMX-CYBMUJFWSA-N 1 0 336.386 2.780 10 10 EFCERO O=C(NC1CC[NH+](Cc2ccsc2)CC1)c1cccc(O)c1O ZINC000225733291 242011038 /nfs/dbraw/zinc/01/10/38/242011038.db2.gz HCHADTPDBDZKCP-UHFFFAOYSA-N 1 0 332.425 2.554 10 10 EFCERO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000362334231 242250022 /nfs/dbraw/zinc/25/00/22/242250022.db2.gz GLCYODBOEKYWLE-FQEVSTJZSA-N 1 0 340.471 2.902 10 10 EFCERO Fc1cc(C[NH2+][C@H]2CCCc3n[nH]cc32)ccc1N1CCOCC1 ZINC000367596553 242386420 /nfs/dbraw/zinc/38/64/20/242386420.db2.gz PXAIBMUQLHUWBD-INIZCTEOSA-N 1 0 330.407 2.553 10 10 EFCERO OCC1CCN(c2ccc(C[NH2+][C@@H]3CCCc4n[nH]cc43)cc2)CC1 ZINC000375792442 242482334 /nfs/dbraw/zinc/48/23/34/242482334.db2.gz QEBKXSHBNDXUGR-LJQANCHMSA-N 1 0 340.471 2.786 10 10 EFCERO Cc1cnn([C@H](C)[C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000069459643 203004488 /nfs/dbraw/zinc/00/44/88/203004488.db2.gz IIONPCPZRZFWPS-HZPDHXFCSA-N 1 0 346.450 2.907 10 10 EFCERO COc1ccc(-n2c(C)cc(C(=O)N3CC[C@H]([NH+](C)C)C3)c2C)cc1 ZINC000170857313 533210143 /nfs/dbraw/zinc/21/01/43/533210143.db2.gz UKOOCVNZEDQNNU-KRWDZBQOSA-N 1 0 341.455 2.879 10 10 EFCERO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]Cc3ccccc3F)cc2)C1 ZINC000054179348 132190202 /nfs/dbraw/zinc/19/02/02/132190202.db2.gz PEQQJIVBJAWNAX-QGZVFWFLSA-N 1 0 341.430 2.817 10 10 EFCERO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]Cc3ccsc3)cc2)C1 ZINC000054179228 132190241 /nfs/dbraw/zinc/19/02/41/132190241.db2.gz QKMXFBMEDIBLNI-INIZCTEOSA-N 1 0 329.469 2.740 10 10 EFCERO Fc1cc(C[NH2+]Cc2ccc3c(c2)CCO3)ccc1N1CCOCC1 ZINC000054175924 132190363 /nfs/dbraw/zinc/19/03/63/132190363.db2.gz TUMQAMHUHZHFMY-UHFFFAOYSA-N 1 0 342.414 2.887 10 10 EFCERO COC(=O)/C=C/c1ccc(N2CCC([NH2+]C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000269261870 277306657 /nfs/dbraw/zinc/30/66/57/277306657.db2.gz BPUFKQVSVHVSMP-XVNBXDOJSA-N 1 0 345.399 2.502 10 10 EFCERO CC[C@H]([NH2+]C[C@H](O)[C@H]1CCCO1)c1ccc(C(F)(F)F)cc1O ZINC000527953182 316504490 /nfs/dbraw/zinc/50/44/90/316504490.db2.gz KIPXRKOSFOUGFW-AEGPPILISA-N 1 0 333.350 2.992 10 10 EFCERO CN(Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000190489873 473294675 /nfs/dbraw/zinc/29/46/75/473294675.db2.gz FOZDZRDERVFGPG-INIZCTEOSA-N 1 0 329.419 2.880 10 10 EFCERO C[C@H]([NH2+]CC1(C)OCCCO1)c1cc(Br)ccc1O ZINC000190648406 473345030 /nfs/dbraw/zinc/34/50/30/473345030.db2.gz XHMKXWXXGDQJPG-JTQLQIEISA-N 1 0 330.222 2.958 10 10 EFCERO C[C@@H](NC(=O)c1ccccc1O)c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000055709766 472227961 /nfs/dbraw/zinc/22/79/61/472227961.db2.gz NVZAHSLFKKAVTD-OAHLLOKOSA-N 1 0 339.439 2.635 10 10 EFCERO CC[C@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000089948980 472559370 /nfs/dbraw/zinc/55/93/70/472559370.db2.gz UJEHGOYVNYSYEJ-MAUKXSAKSA-N 1 0 328.456 2.748 10 10 EFCERO c1cc(N2CCOCC2)ccc1C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000071831316 472577495 /nfs/dbraw/zinc/57/74/95/472577495.db2.gz CSHZUIYLOKZKIY-UHFFFAOYSA-N 1 0 340.423 2.584 10 10 EFCERO O=C(NCCc1ccc(O)c(O)c1)c1cccc(C[NH+]2CCCC2)c1 ZINC000156694266 472740642 /nfs/dbraw/zinc/74/06/42/472740642.db2.gz PMJBPGVSRKFTFB-UHFFFAOYSA-N 1 0 340.423 2.666 10 10 EFCERO Cc1ccc(O)c(C[NH+]2CCN(Cc3cnn(C(C)(C)C)c3)CC2)c1 ZINC000121489767 472859841 /nfs/dbraw/zinc/85/98/41/472859841.db2.gz QEQICUWKQJNUIW-UHFFFAOYSA-N 1 0 342.487 2.970 10 10 EFCERO CCn1cc(CN2CCC[N@H+](Cc3cc(C)ccc3O)CC2)cn1 ZINC000121643526 472884741 /nfs/dbraw/zinc/88/47/41/472884741.db2.gz YZBGJKDJQQQARX-UHFFFAOYSA-N 1 0 328.460 2.625 10 10 EFCERO COc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cc1O ZINC000048748703 472907414 /nfs/dbraw/zinc/90/74/14/472907414.db2.gz OJSCWEOSLMANQW-UHFFFAOYSA-N 1 0 346.402 2.666 10 10 EFCERO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](Cn3nc(C)nc3C)C2)c1 ZINC000122013413 472963323 /nfs/dbraw/zinc/96/33/23/472963323.db2.gz ORAWVPNVRZCLCC-INIZCTEOSA-N 1 0 344.459 2.911 10 10 EFCERO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](Cn3nc(C)nc3C)C2)c1 ZINC000122013654 472963879 /nfs/dbraw/zinc/96/38/79/472963879.db2.gz ORAWVPNVRZCLCC-MRXNPFEDSA-N 1 0 344.459 2.911 10 10 EFCERO c1cnn(CC2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)c1 ZINC000122076796 472973314 /nfs/dbraw/zinc/97/33/14/472973314.db2.gz UCXWTUBTXICMIB-UHFFFAOYSA-N 1 0 340.471 2.632 10 10 EFCERO CCOc1ccc(O)c(C[N@@H+]2CCCN(c3ccc(C)nn3)CC2)c1 ZINC000093272202 473071232 /nfs/dbraw/zinc/07/12/32/473071232.db2.gz LZQCRQXSJQPSAG-UHFFFAOYSA-N 1 0 342.443 2.602 10 10 EFCERO C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1cc(F)ccc1O ZINC000185408451 473419007 /nfs/dbraw/zinc/41/90/07/473419007.db2.gz QXFSYBLWEMPGJJ-DYVFJYSZSA-N 1 0 330.403 2.881 10 10 EFCERO CN1CCc2cc(C[NH2+]C3CCC(O)(c4cccnc4)CC3)ccc21 ZINC000185694121 473491612 /nfs/dbraw/zinc/49/16/12/473491612.db2.gz AFTJPWIPBJPYKM-UHFFFAOYSA-N 1 0 337.467 2.994 10 10 EFCERO CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2cc(C)ccc2O)ncn1 ZINC000185992290 473566798 /nfs/dbraw/zinc/56/67/98/473566798.db2.gz ZBWBFHOEZMRWRY-HUUCEWRRSA-N 1 0 341.459 2.852 10 10 EFCERO CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2ccc(C)cc2O)ncn1 ZINC000185992711 473567061 /nfs/dbraw/zinc/56/70/61/473567061.db2.gz NRVDRJVGNNBAOU-GJZGRUSLSA-N 1 0 341.459 2.852 10 10 EFCERO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCc3nc(C(C)C)nn3C2)c1 ZINC000185996758 473568466 /nfs/dbraw/zinc/56/84/66/473568466.db2.gz QVEDYMTXGZTKNG-CHWSQXEVSA-N 1 0 330.432 2.781 10 10 EFCERO Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3cc(C)ccc3O)C2=O)n(C)n1 ZINC000186327577 473649667 /nfs/dbraw/zinc/64/96/67/473649667.db2.gz CBQOOJRWOVKXKF-ZBFHGGJFSA-N 1 0 342.443 2.589 10 10 EFCERO Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3cc(C)ccc3O)C2=O)n(C)n1 ZINC000186327592 473649925 /nfs/dbraw/zinc/64/99/25/473649925.db2.gz CBQOOJRWOVKXKF-HOCLYGCPSA-N 1 0 342.443 2.589 10 10 EFCERO Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3ccc(C)cc3O)C2=O)n(C)n1 ZINC000186328043 473650034 /nfs/dbraw/zinc/65/00/34/473650034.db2.gz PLIOZKMVQKYTKQ-HOCLYGCPSA-N 1 0 342.443 2.589 10 10 EFCERO Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3cc(C)ccc3O)C2=O)n(C)n1 ZINC000186327548 473650268 /nfs/dbraw/zinc/65/02/68/473650268.db2.gz CBQOOJRWOVKXKF-GDBMZVCRSA-N 1 0 342.443 2.589 10 10 EFCERO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3O)C2)n1 ZINC000179559187 473694558 /nfs/dbraw/zinc/69/45/58/473694558.db2.gz VKAFNBFLMRDKHS-MRXNPFEDSA-N 1 0 325.412 2.946 10 10 EFCERO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)c1O ZINC000180032087 473782039 /nfs/dbraw/zinc/78/20/39/473782039.db2.gz RJOKTWUWQDSPOP-HNNXBMFYSA-N 1 0 338.879 2.898 10 10 EFCERO CCc1noc([C@@H](C)N2CC[NH+](Cc3cccc(C)c3O)CC2)n1 ZINC000180102058 473800351 /nfs/dbraw/zinc/80/03/51/473800351.db2.gz WCSDXPNEYZBQRT-CQSZACIVSA-N 1 0 330.432 2.525 10 10 EFCERO COc1ccc(O)c(C[N@@H+]2CCCN(C(=O)c3cccs3)CC2)c1 ZINC000180239738 473835515 /nfs/dbraw/zinc/83/55/15/473835515.db2.gz ZXKWKLZFVYUDHC-UHFFFAOYSA-N 1 0 346.452 2.810 10 10 EFCERO COc1ccc(O)c(C[N@H+](C)[C@@H]2CCN(c3ccccc3F)C2=O)c1 ZINC000180238550 473835634 /nfs/dbraw/zinc/83/56/34/473835634.db2.gz CUJZKJULTNWEDP-QGZVFWFLSA-N 1 0 344.386 2.777 10 10 EFCERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc(N2CCCCC2)c(F)c1 ZINC000180493434 473891194 /nfs/dbraw/zinc/89/11/94/473891194.db2.gz CIGZJKBXTFCUFH-DOTOQJQBSA-N 1 0 335.467 2.797 10 10 EFCERO Cc1ccc([C@H](C)[NH2+]Cc2cccc(N3CCOCC3)n2)c(O)c1 ZINC000274727899 473935399 /nfs/dbraw/zinc/93/53/99/473935399.db2.gz BBLLAJDEZFQVMM-HNNXBMFYSA-N 1 0 327.428 2.783 10 10 EFCERO CC[C@H]([NH2+]Cc1cccc(N2CCOCC2)n1)c1ccccc1O ZINC000274756682 473945370 /nfs/dbraw/zinc/94/53/70/473945370.db2.gz IZJZVNMQPSUYQG-KRWDZBQOSA-N 1 0 327.428 2.865 10 10 EFCERO COc1ccc(C[NH2+]Cc2cccc(N3CCOCC3)n2)cc1C ZINC000274853568 473989096 /nfs/dbraw/zinc/98/90/96/473989096.db2.gz YIPMBBDUWPMIPB-UHFFFAOYSA-N 1 0 327.428 2.525 10 10 EFCERO Cc1cc(Cl)cc(C[NH2+]Cc2cccc(N3CCOCC3)n2)c1O ZINC000274905079 474007989 /nfs/dbraw/zinc/00/79/89/474007989.db2.gz IBWILFOAJXUNTA-UHFFFAOYSA-N 1 0 347.846 2.875 10 10 EFCERO Oc1cccc(Cl)c1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000282587852 474120949 /nfs/dbraw/zinc/12/09/49/474120949.db2.gz BXKYRSMHUYHRIK-BLLLJJGKSA-N 1 0 325.836 2.703 10 10 EFCERO Oc1cccc(Cl)c1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000282587864 474121124 /nfs/dbraw/zinc/12/11/24/474121124.db2.gz BXKYRSMHUYHRIK-MLGOLLRUSA-N 1 0 325.836 2.703 10 10 EFCERO O=C(c1cccc(O)c1O)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000282899269 474235959 /nfs/dbraw/zinc/23/59/59/474235959.db2.gz WQVDDRFYJQXPNW-ZDUSSCGKSA-N 1 0 341.411 2.650 10 10 EFCERO C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O)c1ccc(N(C)C)cc1 ZINC000283457508 474408983 /nfs/dbraw/zinc/40/89/83/474408983.db2.gz VDNMBGBLHUMQQE-KVSKMBFKSA-N 1 0 332.488 2.971 10 10 EFCERO COc1cc(O)c(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1OC ZINC000190283884 474573519 /nfs/dbraw/zinc/57/35/19/474573519.db2.gz CVIIKQTWCIGICP-GJZGRUSLSA-N 1 0 349.452 2.679 10 10 EFCERO COC(=O)/C=C/c1ccc(N2CCC[C@@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000276980766 474576046 /nfs/dbraw/zinc/57/60/46/474576046.db2.gz FPDLBXQVBOUWMK-LOWQCSRCSA-N 1 0 347.415 2.702 10 10 EFCERO Cc1cc(Cl)cc(C[NH2+]CCCN2CCCO[C@@H](C)C2)c1O ZINC000277361944 474583513 /nfs/dbraw/zinc/58/35/13/474583513.db2.gz FGSDFLUBTWKJND-AWEZNQCLSA-N 1 0 326.868 2.945 10 10 EFCERO Cc1cc(Cl)cc(C[NH2+][C@H](CO)C[C@H](O)c2ccccc2)c1O ZINC000271858950 474597268 /nfs/dbraw/zinc/59/72/68/474597268.db2.gz VMCVSBGRZDPGEQ-IRXDYDNUSA-N 1 0 335.831 2.928 10 10 EFCERO Cc1nc(F)ccc1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000278515329 474675333 /nfs/dbraw/zinc/67/53/33/474675333.db2.gz XGPZGMZMTQHERL-UHFFFAOYSA-N 1 0 329.419 2.998 10 10 EFCERO CN(C)c1ccc(C[NH2+]Cc2cnnn2Cc2ccccc2)cc1F ZINC000292007818 474799166 /nfs/dbraw/zinc/79/91/66/474799166.db2.gz VOLASTSZSGCAFM-UHFFFAOYSA-N 1 0 339.418 2.821 10 10 EFCERO CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000293581143 475042046 /nfs/dbraw/zinc/04/20/46/475042046.db2.gz JRZUDUYWYSKLOF-CYBMUJFWSA-N 1 0 343.874 2.548 10 10 EFCERO Cc1cc(Cl)cc(C[NH2+][C@H](c2nccn2C)C(C)(C)CO)c1O ZINC000294923278 475092476 /nfs/dbraw/zinc/09/24/76/475092476.db2.gz BBBUVWZEKQOLMJ-OAHLLOKOSA-N 1 0 337.851 2.937 10 10 EFCERO CCOc1ccc(O)c(C[NH2+]Cc2cc(C)nc(N3CCCC3)n2)c1 ZINC000292697839 475156358 /nfs/dbraw/zinc/15/63/58/475156358.db2.gz BZUKVCANMPSTSO-UHFFFAOYSA-N 1 0 342.443 2.779 10 10 EFCERO C[N@H+](Cc1cc(Cl)ccc1O)C1CCN(c2cnccn2)CC1 ZINC000369490021 476420422 /nfs/dbraw/zinc/42/04/22/476420422.db2.gz MIXNOBBCOOOJOL-UHFFFAOYSA-N 1 0 332.835 2.936 10 10 EFCERO CN(C)c1ccc(C[N@H+](C)C2CCN(c3cnccn3)CC2)cc1F ZINC000369490473 476420717 /nfs/dbraw/zinc/42/07/17/476420717.db2.gz BIRRXGTZEBVLFU-UHFFFAOYSA-N 1 0 343.450 2.783 10 10 EFCERO CCOc1cccc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c1O ZINC000373975129 476445565 /nfs/dbraw/zinc/44/55/65/476445565.db2.gz GLXXOIZHTZHXDU-ZRGWGRIASA-N 1 0 335.444 2.949 10 10 EFCERO Cc1cc(Br)cc(CN2CC[NH+]3CCC2CC3)c1O ZINC000377632146 476489894 /nfs/dbraw/zinc/48/98/94/476489894.db2.gz VDDUEKZUCSYCHO-UHFFFAOYSA-N 1 0 325.250 2.743 10 10 EFCERO CCOc1cccc(C[NH+]2CCC(Oc3cnccn3)CC2)c1O ZINC000365941674 476774716 /nfs/dbraw/zinc/77/47/16/476774716.db2.gz QDYICBHACAUKJD-UHFFFAOYSA-N 1 0 329.400 2.624 10 10 EFCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCC(F)F)C1 ZINC000435811774 477376375 /nfs/dbraw/zinc/37/63/75/477376375.db2.gz XLXBFYKCKBWCHV-UHFFFAOYSA-N 1 0 335.398 2.789 10 10 EFCERO C[C@@H]([NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1)c1ccccc1O ZINC000376797128 477505906 /nfs/dbraw/zinc/50/59/06/477505906.db2.gz TWYFCPNFFNGSCZ-CABCVRRESA-N 1 0 346.452 2.506 10 10 EFCERO Cc1cc(O)c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)cc1C(C)C ZINC000530109230 477876605 /nfs/dbraw/zinc/87/66/05/477876605.db2.gz YOLRABMFCZKXPV-CVEARBPZSA-N 1 0 337.485 2.976 10 10 EFCERO [O-]c1ccc(Cl)c(F)c1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530248495 477880098 /nfs/dbraw/zinc/88/00/98/477880098.db2.gz LFDCZCHDYSJCIY-CYBMUJFWSA-N 1 0 342.842 2.775 10 10 EFCERO COc1ccc(CC[NH2+]Cc2cc(Br)ccc2O)cn1 ZINC000527792637 478519945 /nfs/dbraw/zinc/51/99/45/478519945.db2.gz DKVLIVLGXJOVFT-UHFFFAOYSA-N 1 0 337.217 2.891 10 10 EFCERO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2c3ccccc3C(=O)N2C)c1 ZINC000528005495 478610602 /nfs/dbraw/zinc/61/06/02/478610602.db2.gz QGLFQVXCVZRYOH-YVEFUNNKSA-N 1 0 326.396 2.878 10 10 EFCERO O=C(NCc1cc(Cl)ccc1O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528292759 478711534 /nfs/dbraw/zinc/71/15/34/478711534.db2.gz GSIOKDHJUJVRNG-HNNXBMFYSA-N 1 0 337.851 2.862 10 10 EFCERO COc1cc(O)c(C[NH2+]C[C@H]2CCN2C2CCCCC2)cc1OC ZINC000529641302 479232926 /nfs/dbraw/zinc/23/29/26/479232926.db2.gz PBXXEJIUCSASGW-MRXNPFEDSA-N 1 0 334.460 2.906 10 10 EFCERO COc1cc(Cl)cc(C[NH2+]C[C@@H]2c3ccccc3C(=O)N2C)c1O ZINC000529667848 479242527 /nfs/dbraw/zinc/24/25/27/479242527.db2.gz AOYOKYGZELRABR-OAHLLOKOSA-N 1 0 346.814 2.971 10 10 EFCERO CC(C)Oc1ccc(N(C)C(=O)c2cn[nH]c2[C@@H]2CC[NH2+]C2)cc1 ZINC000662808463 481979726 /nfs/dbraw/zinc/97/97/26/481979726.db2.gz ANLOQEDLQPYNCM-CYBMUJFWSA-N 1 0 328.416 2.550 10 10 EFCERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000176285931 529096178 /nfs/dbraw/zinc/09/61/78/529096178.db2.gz OJVIAFVTZQYZSV-HNNXBMFYSA-N 1 0 336.455 2.517 10 10 EFCERO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCc3nc(COC)nn3C2)cc1 ZINC000246332608 535765742 /nfs/dbraw/zinc/76/57/42/535765742.db2.gz GFJLNLKJWQUFBX-HOCLYGCPSA-N 1 0 343.475 2.546 10 10 EFCERO COC(=O)c1cc2ccccc2c(C[N@@H+]2CCOC[C@H](C)C2)c1O ZINC000753992930 575372319 /nfs/dbraw/zinc/37/23/19/575372319.db2.gz MSUQYOHTCFIJJE-CYBMUJFWSA-N 1 0 329.396 2.800 10 10 EFCERO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3c(O)ccc4ccncc43)[C@H]2C1 ZINC000754797326 575492444 /nfs/dbraw/zinc/49/24/44/575492444.db2.gz NTIDTXIXDRCFAG-DKSSEZFCSA-N 1 0 328.412 2.709 10 10 EFCERO C[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1)c1cc2c(cc1O)CCCC2 ZINC000756731264 575782102 /nfs/dbraw/zinc/78/21/02/575782102.db2.gz FXQVXNRABVEEQR-HINSOXJESA-N 1 0 328.456 2.931 10 10 EFCERO Cc1ccc([C@H](C)[NH2+]CCC2CCS(=O)(=O)CC2)c(O)c1C ZINC000756780379 575786142 /nfs/dbraw/zinc/78/61/42/575786142.db2.gz SRIGETOMVJWVNP-AWEZNQCLSA-N 1 0 325.474 2.875 10 10 EFCERO C[C@@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1cc(Cl)ccc1O ZINC000756780843 575786221 /nfs/dbraw/zinc/78/62/21/575786221.db2.gz WLARVPCUKXUWDX-LLVKDONJSA-N 1 0 331.865 2.911 10 10 EFCERO C[C@H](C[N@H+](Cc1ccccc1O)C1CCCC1)CS(C)(=O)=O ZINC000757842822 575854362 /nfs/dbraw/zinc/85/43/62/575854362.db2.gz FBJOUJORWBJWPA-CQSZACIVSA-N 1 0 325.474 2.818 10 10 EFCERO Oc1cc2c(cc1C[NH+]1CCN(c3ncccc3F)CC1)CCC2 ZINC000761298920 576142447 /nfs/dbraw/zinc/14/24/47/576142447.db2.gz KDVPRDYZHOEWPG-UHFFFAOYSA-N 1 0 327.403 2.737 10 10 EFCERO COc1cc(Br)cc(C[NH2+][C@@H]2CCOC[C@H]2C)c1O ZINC000762485979 576306873 /nfs/dbraw/zinc/30/68/73/576306873.db2.gz LREAKGZUBDZVQK-BXKDBHETSA-N 1 0 330.222 2.678 10 10 EFCERO CN1CCCc2cc(CNC(=O)CC[C@@H]3CCCC[N@@H+]3C)ccc21 ZINC000764464782 576460809 /nfs/dbraw/zinc/46/08/09/576460809.db2.gz RGHMXIGGWLGLMA-SFHVURJKSA-N 1 0 329.488 2.950 10 10 EFCERO CC[C@H](C)[NH2+]Cc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000765278511 577026439 /nfs/dbraw/zinc/02/64/39/577026439.db2.gz ABADNEZEQIPTMB-HNNXBMFYSA-N 1 0 343.450 2.830 10 10 EFCERO CCOc1ccc(C[NH2+][C@@H](C)c2nnc3n2CCCCC3)c(O)c1 ZINC000725845326 577246556 /nfs/dbraw/zinc/24/65/56/577246556.db2.gz WNNBNWOLCPPMJJ-ZDUSSCGKSA-N 1 0 330.432 2.960 10 10 EFCERO COc1cccc(N2C[C@H]([NH2+]Cc3ccc4c(c3)CCO4)CC2=O)c1 ZINC000725853044 577251123 /nfs/dbraw/zinc/25/11/23/577251123.db2.gz NBXVBNOQTRXHPT-MRXNPFEDSA-N 1 0 338.407 2.525 10 10 EFCERO CCOc1ccc(C[NH+]2CCN(c3cccc(O)c3)CC2)c(O)c1 ZINC000768212582 577261139 /nfs/dbraw/zinc/26/11/39/577261139.db2.gz MAZNSQSBKYYWPU-UHFFFAOYSA-N 1 0 328.412 2.819 10 10 EFCERO CC(C)NC(=S)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768296496 577264878 /nfs/dbraw/zinc/26/48/78/577264878.db2.gz OJIWVURAXLJCDO-UHFFFAOYSA-N 1 0 346.544 2.591 10 10 EFCERO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768448301 577274857 /nfs/dbraw/zinc/27/48/57/577274857.db2.gz BTSXAESHNBIJMP-CFSSXQINSA-N 1 0 341.407 2.780 10 10 EFCERO COc1ccccc1CC[N@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768452125 577275082 /nfs/dbraw/zinc/27/50/82/577275082.db2.gz OWZOOBMCNQTHHP-QGZVFWFLSA-N 1 0 329.396 2.501 10 10 EFCERO Oc1cc2c(cc1C[NH+]1CCC(c3cccnc3)CC1)[C@@H](O)CO2 ZINC000768458600 577275371 /nfs/dbraw/zinc/27/53/71/577275371.db2.gz CRORJHPEVTUUQE-SFHVURJKSA-N 1 0 326.396 2.593 10 10 EFCERO Cc1csc(C2([NH2+]Cc3cc4c(cc3O)OC[C@H]4O)CCC2)n1 ZINC000768464901 577276246 /nfs/dbraw/zinc/27/62/46/577276246.db2.gz GFHNVJPUQYFVFV-CQSZACIVSA-N 1 0 332.425 2.752 10 10 EFCERO COCCOc1cc2c(cc1C[N@H+](C)Cc1ccccc1O)OCO2 ZINC000768872843 577312439 /nfs/dbraw/zinc/31/24/39/577312439.db2.gz KGAOMEODWZIJHB-UHFFFAOYSA-N 1 0 345.395 2.778 10 10 EFCERO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c1 ZINC000769404232 577359745 /nfs/dbraw/zinc/35/97/45/577359745.db2.gz LCRHGDLDAQPNSS-OAHLLOKOSA-N 1 0 332.444 2.625 10 10 EFCERO CCOc1cccc(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c1O ZINC000769405960 577360065 /nfs/dbraw/zinc/36/00/65/577360065.db2.gz ZMIVCWGZLLIYIR-INIZCTEOSA-N 1 0 332.444 2.625 10 10 EFCERO Fc1cc(C[NH+]2CCC(c3c[nH]cn3)CC2)ccc1N1CCOCC1 ZINC000769427511 577361960 /nfs/dbraw/zinc/36/19/60/577361960.db2.gz MNBCOVUBRYYPOZ-UHFFFAOYSA-N 1 0 344.434 2.765 10 10 EFCERO CCN(CC)c1ccc(C[NH+]2CCC(OCCC(=O)NC)CC2)cc1 ZINC000770287200 577410158 /nfs/dbraw/zinc/41/01/58/577410158.db2.gz VYCZYLOVGHYWDG-UHFFFAOYSA-N 1 0 347.503 2.650 10 10 EFCERO CCN(CC)c1ccc(C[N@@H+]2CCSC[C@H]2CCO)cc1F ZINC000770304915 577410751 /nfs/dbraw/zinc/41/07/51/577410751.db2.gz DWPYSKMGRLACLO-OAHLLOKOSA-N 1 0 326.481 2.972 10 10 EFCERO CCN(C)c1ccc(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)cc1 ZINC000773757392 581462154 /nfs/dbraw/zinc/46/21/54/581462154.db2.gz YQHDTHIPBTYXRD-FQEVSTJZSA-N 1 0 331.504 2.829 10 10 EFCERO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(N(C)CC)cc1 ZINC000773853136 581469781 /nfs/dbraw/zinc/46/97/81/581469781.db2.gz YCKJZVBKNGBYDT-QZTJIDSGSA-N 1 0 334.460 2.685 10 10 EFCERO Cc1cc(CC[NH2+]C2CCN(C=O)CC2)c(C)n1-c1ccccc1 ZINC000774112301 581483924 /nfs/dbraw/zinc/48/39/24/581483924.db2.gz PNLLKDIEMMXBDC-UHFFFAOYSA-N 1 0 325.456 2.847 10 10 EFCERO Oc1cc2c(cc1C[NH+]1CCN(c3ccc(F)cn3)CC1)CCC2 ZINC000774644757 581496312 /nfs/dbraw/zinc/49/63/12/581496312.db2.gz ICNQASGHWAVTKZ-UHFFFAOYSA-N 1 0 327.403 2.737 10 10 EFCERO Oc1ccc2ccncc2c1C[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000774650445 581496499 /nfs/dbraw/zinc/49/64/99/581496499.db2.gz PHAVVLBHRIHCKJ-UHFFFAOYSA-N 1 0 338.386 2.797 10 10 EFCERO CCOCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001691785637 1248754404 /nfs/dbraw/zinc/75/44/04/1248754404.db2.gz WRUXOHHVCOAVIY-QAPCUYQASA-N 1 0 348.487 2.757 10 10 EFCERO CC(C)(C)OC(=O)N1CCCC[C@H]([NH2+]Cc2ccc(O)cc2O)C1 ZINC000301358923 1249744185 /nfs/dbraw/zinc/74/41/85/1249744185.db2.gz DYJGRFBLICJQBY-AWEZNQCLSA-N 1 0 336.432 2.977 10 10 EFCERO C[C@H]([NH2+]Cc1cnn2c1CCC2)c1ccc(N2CCOCC2)cc1 ZINC000850076774 1250266271 /nfs/dbraw/zinc/26/62/71/1250266271.db2.gz CHVATOCKCQOSAG-HNNXBMFYSA-N 1 0 326.444 2.517 10 10 EFCERO COc1cc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c(O)c(C(C)(C)C)c1 ZINC000850166384 1250329671 /nfs/dbraw/zinc/32/96/71/1250329671.db2.gz ZQAIIFJEOMUTGZ-QEORTHHSSA-N 1 0 346.471 2.797 10 10 EFCERO COc1cc(C[NH2+]CC[C@H](C)[S@](C)=O)c(O)c(C(C)(C)C)c1 ZINC000850193627 1250345894 /nfs/dbraw/zinc/34/58/94/1250345894.db2.gz VPMOXXOLUQFXJY-YTEVENLXSA-N 1 0 327.490 2.945 10 10 EFCERO COc1ccc(C[NH+]2CCN(Cc3cccc(F)c3)CC2)c(O)c1 ZINC000129154696 1248515544 /nfs/dbraw/zinc/51/55/44/1248515544.db2.gz OSDPIMKLEHZNNY-UHFFFAOYSA-N 1 0 330.403 2.858 10 10 EFCERO COC[C@](C)(O)CC[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850313361 1250422497 /nfs/dbraw/zinc/42/24/97/1250422497.db2.gz YFGCDGVPCLKAGQ-GOSISDBHSA-N 1 0 325.449 2.575 10 10 EFCERO CCN(CC)c1ccc(C[NH2+]CCC2(CS(C)(=O)=O)CC2)cc1 ZINC000850343829 1250438542 /nfs/dbraw/zinc/43/85/42/1250438542.db2.gz XJGDKZVXEAUQTL-UHFFFAOYSA-N 1 0 338.517 2.837 10 10 EFCERO c1ccc2c(CC[NH2+]Cc3ccc(N4CCOCC4)cc3)noc2c1 ZINC000850341828 1250440264 /nfs/dbraw/zinc/44/02/64/1250440264.db2.gz FBCKZENFEMXYTL-UHFFFAOYSA-N 1 0 337.423 2.997 10 10 EFCERO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccccc3-n3cncn3)C2)cc1 ZINC000850346420 1250441030 /nfs/dbraw/zinc/44/10/30/1250441030.db2.gz UWOAQUKEOMIDJS-QGZVFWFLSA-N 1 0 349.438 2.644 10 10 EFCERO COc1ccc(N2CC[C@H]([NH2+]Cc3ccc(OC)c(O)c3)C2)cc1 ZINC000850345431 1250441784 /nfs/dbraw/zinc/44/17/84/1250441784.db2.gz AARHCWRJPPOBEW-HNNXBMFYSA-N 1 0 328.412 2.778 10 10 EFCERO COc1ccc(N2CC[C@@H]([NH2+]Cc3cnn(CC(F)F)c3)C2)cc1 ZINC000850345966 1250441904 /nfs/dbraw/zinc/44/19/04/1250441904.db2.gz ARIACHLQZYRWHS-CQSZACIVSA-N 1 0 336.386 2.525 10 10 EFCERO COc1ccc(N2CC[C@@H]([NH2+]Cc3c(C)nn(C)c3Cl)C2)cc1 ZINC000850345889 1250442109 /nfs/dbraw/zinc/44/21/09/1250442109.db2.gz NDGBREUUOWXCDT-CYBMUJFWSA-N 1 0 334.851 2.759 10 10 EFCERO CN(C)c1ccc(/C=C\C[NH2+]CCC2(CS(C)(=O)=O)CC2)cc1 ZINC000850345383 1250442278 /nfs/dbraw/zinc/44/22/78/1250442278.db2.gz XUWHUMSHUIYWHJ-PLNGDYQASA-N 1 0 336.501 2.570 10 10 EFCERO Cc1cc(O)c(C[NH2+]CC[S@](=O)CC(F)(F)F)c(Cl)c1 ZINC000850349707 1250444371 /nfs/dbraw/zinc/44/43/71/1250444371.db2.gz IZQPOMIRHCTMRO-FQEVSTJZSA-N 1 0 329.771 2.755 10 10 EFCERO CN(C)c1ccc(C[NH2+][C@@H]2Cc3ccccc3N(C)C2=O)cc1F ZINC000850352872 1250446078 /nfs/dbraw/zinc/44/60/78/1250446078.db2.gz KULOHNLYWDTLOH-MRXNPFEDSA-N 1 0 327.403 2.569 10 10 EFCERO C[C@H]1CC[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)CS1(=O)=O ZINC000850367650 1250450902 /nfs/dbraw/zinc/45/09/02/1250450902.db2.gz BFOHOKLCZRAKKP-RDJZCZTQSA-N 1 0 336.501 2.732 10 10 EFCERO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)CS1(=O)=O ZINC000850367651 1250451170 /nfs/dbraw/zinc/45/11/70/1250451170.db2.gz BFOHOKLCZRAKKP-WBVHZDCISA-N 1 0 336.501 2.732 10 10 EFCERO CCOc1cccc(C[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c1O ZINC000850395123 1250463541 /nfs/dbraw/zinc/46/35/41/1250463541.db2.gz AUBFRWGSFRWKLG-QZTJIDSGSA-N 1 0 346.471 2.524 10 10 EFCERO CCOc1ccc(O)c(C[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c1 ZINC000850395708 1250464649 /nfs/dbraw/zinc/46/46/49/1250464649.db2.gz KSCIBLIOPHVRDU-RTBURBONSA-N 1 0 346.471 2.524 10 10 EFCERO CN(C)c1ccc(/C=C\C[NH2+]C2CCN([C@H]3CCOC3)CC2)cc1 ZINC000850395569 1250465475 /nfs/dbraw/zinc/46/54/75/1250465475.db2.gz ASPICJBNPLPGIO-XQQSMPNESA-N 1 0 329.488 2.609 10 10 EFCERO Fc1cc(C[NH2+]CCC2SCCS2)ccc1N1CCOCC1 ZINC000850407821 1250469853 /nfs/dbraw/zinc/46/98/53/1250469853.db2.gz SWSRMRLMFYQMNA-UHFFFAOYSA-N 1 0 342.505 2.948 10 10 EFCERO OC1CCN(c2ccc(C[NH2+]C3CC(CF)(CF)C3)cc2F)CC1 ZINC000850426470 1250481085 /nfs/dbraw/zinc/48/10/85/1250481085.db2.gz CGMZLXGIQSAQLV-UHFFFAOYSA-N 1 0 342.405 2.964 10 10 EFCERO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+][C@@H]3CCCSCC3)cc2)C1 ZINC000850424850 1250481100 /nfs/dbraw/zinc/48/11/00/1250481100.db2.gz HXYLKVAFTJQRBA-DLBZAZTESA-N 1 0 347.528 2.764 10 10 EFCERO Fc1cc(C[NH2+][C@H]2COC3(CCC3)C2)cc(F)c1N1CCOCC1 ZINC000850473242 1250497253 /nfs/dbraw/zinc/49/72/53/1250497253.db2.gz CZVDAACZULXHHA-CQSZACIVSA-N 1 0 338.398 2.603 10 10 EFCERO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(CNC(C)=O)cc2)c1 ZINC000850484621 1250499403 /nfs/dbraw/zinc/49/94/03/1250499403.db2.gz NBIQTDRHIGTIQW-CYBMUJFWSA-N 1 0 328.412 2.888 10 10 EFCERO CO[C@H](C[NH2+][C@@H](C)c1cc(Br)ccc1O)[C@H]1CCOC1 ZINC000850484644 1250500050 /nfs/dbraw/zinc/50/00/50/1250500050.db2.gz NKKAMWPQWCERTA-ZIBATOQPSA-N 1 0 344.249 2.857 10 10 EFCERO C[C@H]1C[C@H]([NH2+]CCC2(CS(C)(=O)=O)CC2)c2c1c(F)ccc2O ZINC000850485896 1250502044 /nfs/dbraw/zinc/50/20/44/1250502044.db2.gz OUDQXPQUBKCNFD-AAEUAGOBSA-N 1 0 341.448 2.884 10 10 EFCERO COC[C@@H](CC[NH2+][C@H](C)c1cc(Br)ccc1O)OC ZINC000850485828 1250502328 /nfs/dbraw/zinc/50/23/28/1250502328.db2.gz OATOSXGHBWTWPM-ZYHUDNBSSA-N 1 0 332.238 2.857 10 10 EFCERO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)Cc3ccc(OC)nc3)C2)cc1 ZINC000850487829 1250504122 /nfs/dbraw/zinc/50/41/22/1250504122.db2.gz PLCYSTGYHRHXFR-RDJZCZTQSA-N 1 0 341.455 2.898 10 10 EFCERO Cc1cc(C)c([C@@H](C)[NH2+]CCC2(CS(C)(=O)=O)CC2)c(O)c1 ZINC000850487060 1250504386 /nfs/dbraw/zinc/50/43/86/1250504386.db2.gz XWESVGLQEGRWAU-CQSZACIVSA-N 1 0 325.474 2.875 10 10 EFCERO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850487910 1250504518 /nfs/dbraw/zinc/50/45/18/1250504518.db2.gz KBHKIUYDZNGNBA-CVEARBPZSA-N 1 0 333.476 2.511 10 10 EFCERO COc1cccc([C@@H](C)[NH2+][C@H]2Cc3ccccc3N(C)C2=O)c1O ZINC000850500048 1250510383 /nfs/dbraw/zinc/51/03/83/1250510383.db2.gz CKFFKSAABSNJAZ-DOMZBBRYSA-N 1 0 326.396 2.639 10 10 EFCERO COc1cccc([C@H](C)[NH2+][C@@H]2Cc3ccccc3N(C)C2=O)c1O ZINC000850500051 1250510872 /nfs/dbraw/zinc/51/08/72/1250510872.db2.gz CKFFKSAABSNJAZ-SWLSCSKDSA-N 1 0 326.396 2.639 10 10 EFCERO COc1cccc([C@H](C)[NH2+][C@H]2Cc3ccccc3N(C)C2=O)c1O ZINC000850500052 1250510944 /nfs/dbraw/zinc/51/09/44/1250510944.db2.gz CKFFKSAABSNJAZ-WFASDCNBSA-N 1 0 326.396 2.639 10 10 EFCERO C[C@H]([NH2+][C@H]1C[C@H](O)C12CCC2)c1ccc(N2CCOCC2)c(F)c1 ZINC000850546705 1250529087 /nfs/dbraw/zinc/52/90/87/1250529087.db2.gz OKRUYVKGKMWPOZ-KKXDTOCCSA-N 1 0 334.435 2.616 10 10 EFCERO C[C@H]([NH2+][C@@H]1C[C@H](O)C12CCC2)c1ccc(N2CCOCC2)c(F)c1 ZINC000850546709 1250530346 /nfs/dbraw/zinc/53/03/46/1250530346.db2.gz OKRUYVKGKMWPOZ-VHSSKADRSA-N 1 0 334.435 2.616 10 10 EFCERO C[C@H]([NH2+]CCN1C[C@H]2CCCCN2C1=O)c1ccc(N(C)C)cc1 ZINC000850562993 1250533940 /nfs/dbraw/zinc/53/39/40/1250533940.db2.gz QRGGZAKHIAVVCB-MAUKXSAKSA-N 1 0 330.476 2.693 10 10 EFCERO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c1 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10 10 EFCERO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1(F)CC1 ZINC000843831132 1275415689 /nfs/dbraw/zinc/41/56/89/1275415689.db2.gz MRTPFXXRRPEFAL-ZDUSSCGKSA-N 1 0 326.799 2.628 10 10 EFCERO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(Cn3cnnc3)CC2)c1O ZINC000844412610 1278962284 /nfs/dbraw/zinc/96/22/84/1278962284.db2.gz LDYJIMSRVMLTOP-UHFFFAOYSA-N 1 0 348.834 2.752 10 10 EFCERO C[C@H]([NH2+]C[C@H]1CN(C)CCN1Cc1ccccc1)c1ccccc1O ZINC000694745032 1275604799 /nfs/dbraw/zinc/60/47/99/1275604799.db2.gz HUNMSTSOFZYEMK-HKUYNNGSSA-N 1 0 339.483 2.859 10 10 EFCERO CN(C)c1ccc([C@H](N)C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000817941889 1276387340 /nfs/dbraw/zinc/38/73/40/1276387340.db2.gz LPGIXJZDFHHPBY-AJYBTWMASA-N 1 0 331.504 2.937 10 10 EFCERO CN(C)c1ccc([C@H](N)C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)cc1 ZINC000817942561 1276389209 /nfs/dbraw/zinc/38/92/09/1276389209.db2.gz PPHBJUXFMNTZRG-IJXRJRJASA-N 1 0 331.504 2.937 10 10 EFCERO CCOCc1cc(C[NH2+]C[C@H]2CCN2C2CCOCC2)ccc1OC ZINC000922951422 1276393984 /nfs/dbraw/zinc/39/39/84/1276393984.db2.gz WVUPTPKFXLYIMM-LJQANCHMSA-N 1 0 348.487 2.575 10 10 EFCERO C[C@H](N[C@H]1CC[NH2+]C[C@@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000817971883 1276413448 /nfs/dbraw/zinc/41/34/48/1276413448.db2.gz QPAVHVGJNXRYLV-DEYYWGMASA-N 1 0 337.895 2.825 10 10 EFCERO C[C@H](N[C@H]1C[NH2+]CCC1(F)F)c1cc(Br)ccc1O ZINC000817980029 1276419958 /nfs/dbraw/zinc/41/99/58/1276419958.db2.gz HTGMXVSRJTVJPR-UFBFGSQYSA-N 1 0 335.192 2.803 10 10 EFCERO CCCN(CCC)c1ccc(C[NH2+]C[C@H](O)c2ccnn2C)cc1 ZINC000922975977 1276429573 /nfs/dbraw/zinc/42/95/73/1276429573.db2.gz ABNPLVULGDTMOR-IBGZPJMESA-N 1 0 330.476 2.870 10 10 EFCERO CCCn1cc(C[NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)cn1 ZINC000818222233 1276495080 /nfs/dbraw/zinc/49/50/80/1276495080.db2.gz ROHHEILZIUDHSI-MRXNPFEDSA-N 1 0 328.460 2.918 10 10 EFCERO COc1ccc(N2CC[C@@H](C[NH2+][C@@H]3CCCc4n[nH]cc43)C2)cc1 ZINC000818342180 1276510175 /nfs/dbraw/zinc/51/01/75/1276510175.db2.gz MYHZTDQNWROPPN-KBXCAEBGSA-N 1 0 326.444 2.912 10 10 EFCERO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CN(C4CC4)C[C@@H]3C)C2)cc1 ZINC000818341557 1276510337 /nfs/dbraw/zinc/51/03/37/1276510337.db2.gz ANUBKXUUUYZAMF-RZQQEMMASA-N 1 0 329.488 2.594 10 10 EFCERO COc1ccc(N2CC[NH+](C[C@H](O)CC3CCCC3)CC2)cc1F ZINC000789327916 1276659105 /nfs/dbraw/zinc/65/91/05/1276659105.db2.gz RFKFECOPDMFVEM-QGZVFWFLSA-N 1 0 336.451 2.898 10 10 EFCERO COc1ccc(N2CC[NH+](C[C@H](O)C3CCCCC3)CC2)cc1F ZINC000789326170 1276659244 /nfs/dbraw/zinc/65/92/44/1276659244.db2.gz FBVPIIKGLPQARG-SFHVURJKSA-N 1 0 336.451 2.898 10 10 EFCERO CCN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2CCS(C)(=O)=O)cc1 ZINC000815120086 1287314122 /nfs/dbraw/zinc/31/41/22/1287314122.db2.gz ACTPMXICUCZPOQ-GOSISDBHSA-N 1 0 338.517 2.932 10 10 EFCERO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000815093795 1287321048 /nfs/dbraw/zinc/32/10/48/1287321048.db2.gz SXBVTUIORMTTFH-IRXDYDNUSA-N 1 0 334.460 2.604 10 10 EFCERO Cc1cc(C[NH+]2CCN(c3cc(C4CC4)[nH]n3)CC2)ccc1N(C)C ZINC000815095782 1287321950 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CCN(CC)c1ccc(CNC(=O)C2([NH2+]C3CC3)CCC2)cc1F ZINC000852866214 1299919142 /nfs/dbraw/zinc/91/91/42/1299919142.db2.gz GRCZJUVOGGUMIN-UHFFFAOYSA-N 1 0 333.451 2.963 10 10 EFCERO COc1ccc(-n2c(C)cc(C(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)c2C)cc1 ZINC000852918812 1299938120 /nfs/dbraw/zinc/93/81/20/1299938120.db2.gz JCUZNILWYGRHCR-QZTJIDSGSA-N 1 0 345.418 2.614 10 10 EFCERO COC(=O)c1cc2ccccc2c(C[N@@H+]2C[C@H]3COC[C@]3(C)C2)c1O ZINC000853566213 1300170699 /nfs/dbraw/zinc/17/06/99/1300170699.db2.gz NBRAWLNCHIWSML-XOBRGWDASA-N 1 0 341.407 2.800 10 10 EFCERO C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@@H](CC(F)(F)F)O1 ZINC000853612580 1300192701 /nfs/dbraw/zinc/19/27/01/1300192701.db2.gz AXGLIBLGQPLOKB-MWLCHTKSSA-N 1 0 333.306 2.663 10 10 EFCERO CCN(C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[C@@H]1CC[N@H+](CC)C1 ZINC000854004284 1300384878 /nfs/dbraw/zinc/38/48/78/1300384878.db2.gz PWARCQUBBJHJFJ-MAUKXSAKSA-N 1 0 332.492 2.939 10 10 EFCERO Cc1cc(CC(=O)N2CC(C[NH+](C)C)C2)c(C)n1-c1ccccc1 ZINC000854722104 1300674780 /nfs/dbraw/zinc/67/47/80/1300674780.db2.gz NRNVZRPMGBOIBT-UHFFFAOYSA-N 1 0 325.456 2.657 10 10 EFCERO COc1ccc(N2CC[C@@H](NC(=O)[C@H](C)[NH+]3CCCCCC3)C2)cc1 ZINC000855229636 1300850588 /nfs/dbraw/zinc/85/05/88/1300850588.db2.gz BMQFORKZPFNVQD-DLBZAZTESA-N 1 0 345.487 2.655 10 10 EFCERO COC(=O)[C@@H]1CC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)[C@@H]2CCC[C@H]21 ZINC000859952020 1301649583 /nfs/dbraw/zinc/64/95/83/1301649583.db2.gz QXWSBZBSOHXWAN-ZMSDIMECSA-N 1 0 349.402 2.898 10 10 EFCERO CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000861660157 1302185558 /nfs/dbraw/zinc/18/55/58/1302185558.db2.gz GIYIREOLAFMWSW-KRWDZBQOSA-N 1 0 331.460 2.989 10 10 EFCERO CN(Cc1c(O)cccc1Br)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000862240838 1302320532 /nfs/dbraw/zinc/32/05/32/1302320532.db2.gz PJCURGSVQFWFFP-GFCCVEGCSA-N 1 0 325.250 2.823 10 10 EFCERO CN(C)c1ccc(/C=C/C[NH2+][C@](C)(CO)c2cccc(O)c2)cc1 ZINC000862432884 1302383710 /nfs/dbraw/zinc/38/37/10/1302383710.db2.gz QFIURTULNZQMPR-RRFGBZISSA-N 1 0 326.440 2.969 10 10 EFCERO CC[C@@H]1[NH2+]CC[C@H]1N[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000863543634 1302644879 /nfs/dbraw/zinc/64/48/79/1302644879.db2.gz UCIFHKXSMWNGRE-JEBQAFNWSA-N 1 0 337.895 2.968 10 10 EFCERO C[C@@H]1CC[C@@H](NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[NH2+]1 ZINC000863649927 1302669965 /nfs/dbraw/zinc/66/99/65/1302669965.db2.gz KRZBIQITXQOFMW-GDBMZVCRSA-N 1 0 332.448 2.815 10 10 EFCERO CCOc1ccc(O)c(C[NH2+]Cc2c(Br)cnn2C)c1 ZINC000865680481 1303364092 /nfs/dbraw/zinc/36/40/92/1303364092.db2.gz DAMYNKNJNNKKRH-UHFFFAOYSA-N 1 0 340.221 2.577 10 10 EFCERO CC(C)(C)OC(=O)CN1CCC([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000865776385 1303395855 /nfs/dbraw/zinc/39/58/55/1303395855.db2.gz UOFWBBOAVHPKNH-UHFFFAOYSA-N 1 0 346.471 2.517 10 10 EFCERO C[C@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)c1cc2c(cc1O)CCCC2 ZINC000866412154 1303628025 /nfs/dbraw/zinc/62/80/25/1303628025.db2.gz FFUXORLAVJWFSF-YOEHRIQHSA-N 1 0 332.488 2.767 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCC[C@@H]2O)c1O ZINC000866489498 1303660321 /nfs/dbraw/zinc/66/03/21/1303660321.db2.gz PMUVBEBDGCRBOL-ZHAHWJHGSA-N 1 0 330.222 2.727 10 10 EFCERO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccnn1C ZINC000866614310 1303711854 /nfs/dbraw/zinc/71/18/54/1303711854.db2.gz YGFWQDJHGGDTID-UONOGXRCSA-N 1 0 332.423 2.808 10 10 EFCERO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccnn1C ZINC000866614308 1303712168 /nfs/dbraw/zinc/71/21/68/1303712168.db2.gz YGFWQDJHGGDTID-KBPBESRZSA-N 1 0 332.423 2.808 10 10 EFCERO Cc1cc(C(=O)CN2CC[C@@H]3C[N@@H+](C)C[C@H]32)c(C)n1-c1ccccc1 ZINC000794954171 1303806379 /nfs/dbraw/zinc/80/63/79/1303806379.db2.gz MOPOKQVBTOHVLK-YLJYHZDGSA-N 1 0 337.467 2.913 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+]CCn2cccn2)c1O ZINC000848534401 1334780471 /nfs/dbraw/zinc/78/04/71/1334780471.db2.gz ZLNOFIVJKBVHEN-SNVBAGLBSA-N 1 0 340.221 2.711 10 10 EFCERO COc1ccc(CNC(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)c(O)c1 ZINC000868179688 1304172922 /nfs/dbraw/zinc/17/29/22/1304172922.db2.gz YRYIQGSRZQWKOZ-JKSUJKDBSA-N 1 0 327.384 2.537 10 10 EFCERO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2conc2C2CCCC2)cc1 ZINC000870933831 1305695274 /nfs/dbraw/zinc/69/52/74/1305695274.db2.gz YGYVJZFAARQSGR-KRWDZBQOSA-N 1 0 342.443 2.828 10 10 EFCERO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2conc2C2CCCC2)cc1 ZINC000870933832 1305695619 /nfs/dbraw/zinc/69/56/19/1305695619.db2.gz YGYVJZFAARQSGR-QGZVFWFLSA-N 1 0 342.443 2.828 10 10 EFCERO COCCCC(=O)N1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@@H]1C ZINC001278348187 1314211678 /nfs/dbraw/zinc/21/16/78/1314211678.db2.gz WAKAWEVIGZWIKT-RDJZCZTQSA-N 1 0 334.460 2.509 10 10 EFCERO Oc1cc2c(cc1C[N@@H+]1CC[C@@](F)(c3ccccc3)C1)[C@@H](O)CO2 ZINC000800858601 1308560260 /nfs/dbraw/zinc/56/02/60/1308560260.db2.gz BNQUYNLYTMLTEF-HKUYNNGSSA-N 1 0 329.371 2.889 10 10 EFCERO CCCCOCC(=O)N1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@H]1C ZINC001278365109 1314286673 /nfs/dbraw/zinc/28/66/73/1314286673.db2.gz RHCZUUZGIGDASE-AEFFLSMTSA-N 1 0 348.487 2.899 10 10 EFCERO COc1cccc(CNC(=O)c2ccc(NC3=[NH+]CCC3)cc2)c1O ZINC000901127517 1309543609 /nfs/dbraw/zinc/54/36/09/1309543609.db2.gz JWFBIKUXSAKSKW-UHFFFAOYSA-N 1 0 339.395 2.935 10 10 EFCERO COc1ccc(C[NH2+]C2CC(N(C)C(=O)C(=O)C(C)(C)C)C2)cc1C ZINC001279208734 1311455125 /nfs/dbraw/zinc/45/51/25/1311455125.db2.gz HVSRWVPWQNZJAX-UHFFFAOYSA-N 1 0 346.471 2.698 10 10 EFCERO CCCC[NH2+]C[C@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001277092925 1311602563 /nfs/dbraw/zinc/60/25/63/1311602563.db2.gz RFGDAPBTUOPKIL-NNUKFRKNSA-N 1 0 331.420 2.747 10 10 EFCERO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)c2nc(C)c[nH]2)cc1C ZINC001277316341 1311968553 /nfs/dbraw/zinc/96/85/53/1311968553.db2.gz XIEYASADEABNSR-CQSZACIVSA-N 1 0 344.459 2.723 10 10 EFCERO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)c2[nH]cnc2C)cc1C ZINC001277371357 1312069823 /nfs/dbraw/zinc/06/98/23/1312069823.db2.gz BAOXWXXUSHXZRC-CQSZACIVSA-N 1 0 344.459 2.723 10 10 EFCERO Fc1cc(C[NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)ccc1N1CCOCC1 ZINC000902755088 1312079130 /nfs/dbraw/zinc/07/91/30/1312079130.db2.gz KNZLELOYQIMJGT-OUEOUJKYSA-N 1 0 346.446 2.565 10 10 EFCERO C[C@@H]([NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)c1ccc(N2CCOCC2)cc1 ZINC000902766526 1312087654 /nfs/dbraw/zinc/08/76/54/1312087654.db2.gz MRGCYZKEPWMAOI-PUWNRTSRSA-N 1 0 342.483 2.987 10 10 EFCERO Cc1ccc([C@H](C)[NH2+]CC2CCC(S(C)(=O)=O)CC2)c(O)c1 ZINC000903154873 1312415199 /nfs/dbraw/zinc/41/51/99/1312415199.db2.gz PSDBERMNTPULAV-NFOMZHRRSA-N 1 0 325.474 2.955 10 10 EFCERO COc1ccc(O)c([C@@H](C)[NH2+]CC2CCC(S(C)(=O)=O)CC2)c1 ZINC000903155205 1312415433 /nfs/dbraw/zinc/41/54/33/1312415433.db2.gz UZONJVJKIISICE-DNOWBOINSA-N 1 0 341.473 2.655 10 10 EFCERO COc1ccc(N2CCC([NH2+]C[C@]3(OC(C)C)CCOC3)CC2)cc1 ZINC000903362138 1312599259 /nfs/dbraw/zinc/59/92/59/1312599259.db2.gz ZKLLDLAWNJQXFB-HXUWFJFHSA-N 1 0 348.487 2.838 10 10 EFCERO CCCCCCN(O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001246382737 1314619520 /nfs/dbraw/zinc/61/95/20/1314619520.db2.gz QBSXYHPMAZSWJT-UHFFFAOYSA-N 1 0 348.491 2.920 10 10 EFCERO CC[C@@H](F)C[NH2+]C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001276711162 1314688475 /nfs/dbraw/zinc/68/84/75/1314688475.db2.gz DZQMTDWVSQAHHR-UKRRQHHQSA-N 1 0 349.410 2.695 10 10 EFCERO C[C@@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)C1(C)CC1 ZINC001251400363 1315345990 /nfs/dbraw/zinc/34/59/90/1315345990.db2.gz HUIAOSUQXQDXCM-RHSMWYFYSA-N 1 0 332.492 2.843 10 10 EFCERO COc1cc(Br)cc(C[N@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)c1O ZINC000827151801 1315602020 /nfs/dbraw/zinc/60/20/20/1315602020.db2.gz KBXVCDURYGDOSD-MSRIBSCDSA-N 1 0 344.249 2.612 10 10 EFCERO CC[C@@H](CNC(=O)c1cccnc1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001318492718 1328617242 /nfs/dbraw/zinc/61/72/42/1328617242.db2.gz BHOHZNUHCGJDCP-KRWDZBQOSA-N 1 0 327.428 2.697 10 10 EFCERO CN(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000827544513 1315997365 /nfs/dbraw/zinc/99/73/65/1315997365.db2.gz CXGQSPBYXBPVSI-IBGZPJMESA-N 1 0 344.503 2.865 10 10 EFCERO CC[C@@H](CNC(=O)C(=O)C(C)(C)C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001318505830 1328623107 /nfs/dbraw/zinc/62/31/07/1328623107.db2.gz APGDSZASANHGSA-HNNXBMFYSA-N 1 0 334.460 2.603 10 10 EFCERO COCCCC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001279069447 1316113550 /nfs/dbraw/zinc/11/35/50/1316113550.db2.gz OLLRSCCDPCWUAH-AEFFLSMTSA-N 1 0 348.487 2.614 10 10 EFCERO C[C@H]1C[C@H]([NH2+]Cc2ccc(O)cc2O)CCN1C(=O)OC(C)(C)C ZINC000382721438 1316556408 /nfs/dbraw/zinc/55/64/08/1316556408.db2.gz OQTMELMYPJRFTL-GXTWGEPZSA-N 1 0 336.432 2.975 10 10 EFCERO CC[C@@H](C)C[NH2+][C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001265382853 1316793241 /nfs/dbraw/zinc/79/32/41/1316793241.db2.gz VXPJGMZVAQZSLR-MLGOLLRUSA-N 1 0 345.447 2.993 10 10 EFCERO CCO[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1)C(C)C ZINC001265430717 1316805149 /nfs/dbraw/zinc/80/51/49/1316805149.db2.gz GWPXYJYNXRMZOL-HKUYNNGSSA-N 1 0 348.487 2.755 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CC[C@H](C)OC)C2)cc1C ZINC001265473863 1316810708 /nfs/dbraw/zinc/81/07/08/1316810708.db2.gz FFGGVDCFWQNFOR-XIRDDKMYSA-N 1 0 334.460 2.556 10 10 EFCERO CCOCC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001265662598 1316847800 /nfs/dbraw/zinc/84/78/00/1316847800.db2.gz UGWNDCPWXAURCN-KRWDZBQOSA-N 1 0 334.460 2.511 10 10 EFCERO CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001265661704 1316847900 /nfs/dbraw/zinc/84/79/00/1316847900.db2.gz ITHDYPFTBPLGGB-FUHWJXTLSA-N 1 0 348.487 2.899 10 10 EFCERO CC(C)CC[NH2+]C[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001266039839 1316968402 /nfs/dbraw/zinc/96/84/02/1316968402.db2.gz BQLHZFLOQLQSJM-CQSZACIVSA-N 1 0 345.447 2.947 10 10 EFCERO CCOCCC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001266052149 1316978587 /nfs/dbraw/zinc/97/85/87/1316978587.db2.gz PUUUIBXUULAOPO-ZWKOTPCHSA-N 1 0 348.487 2.947 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)C[C@@H]2CCCO2)cc1C ZINC001266127186 1317073321 /nfs/dbraw/zinc/07/33/21/1317073321.db2.gz AWAMPFSMTHBDPY-RDJZCZTQSA-N 1 0 334.460 2.557 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)C[C@H]2CCCO2)cc1C ZINC001266127185 1317074437 /nfs/dbraw/zinc/07/44/37/1317074437.db2.gz AWAMPFSMTHBDPY-NVXWUHKLSA-N 1 0 334.460 2.557 10 10 EFCERO CC[C@@H](OC)C(=O)N1CC[C@H](CC[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001279992110 1317431569 /nfs/dbraw/zinc/43/15/69/1317431569.db2.gz WUEDTDWYATXWIV-FUHWJXTLSA-N 1 0 348.487 2.757 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H](C)CO3)CCC2)cc1C ZINC001280493421 1317587771 /nfs/dbraw/zinc/58/77/71/1317587771.db2.gz KYMJQCQXKUWQAE-KSSFIOAISA-N 1 0 346.471 2.557 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2c(C)ccn2C)cc1C ZINC001281707281 1318551797 /nfs/dbraw/zinc/55/17/97/1318551797.db2.gz GBWZNIWQZZOZIU-INIZCTEOSA-N 1 0 343.471 2.949 10 10 EFCERO COCC(=O)N(C)C1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001282244127 1318802406 /nfs/dbraw/zinc/80/24/06/1318802406.db2.gz MHTNWLRZUDMESW-UHFFFAOYSA-N 1 0 334.460 2.509 10 10 EFCERO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)[C@@]2(C)CCOC2)cc1C ZINC001283258904 1319479033 /nfs/dbraw/zinc/47/90/33/1319479033.db2.gz CYSISMMZDQSNQP-JXFKEZNVSA-N 1 0 348.487 2.805 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C2CC2)N(C)C(=O)[C@@H]2C[C@H]2C)cc1C ZINC001283528506 1319791031 /nfs/dbraw/zinc/79/10/31/1319791031.db2.gz CZFMBABTBXFQFU-XWIAVFTESA-N 1 0 330.472 2.986 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)c3ccon3)CCCC2)cc1C ZINC001319341449 1328857958 /nfs/dbraw/zinc/85/79/58/1328857958.db2.gz RZIWWHGWGBJFRC-UHFFFAOYSA-N 1 0 343.427 2.824 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)CSC)cc1C ZINC001319438243 1328885957 /nfs/dbraw/zinc/88/59/57/1328885957.db2.gz YTOOMZCSTKTBIY-HUUCEWRRSA-N 1 0 338.517 2.939 10 10 EFCERO CCc1nc(C(=O)N(C)[C@@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)co1 ZINC001319448078 1328889354 /nfs/dbraw/zinc/88/93/54/1328889354.db2.gz IARGGUKOBMRARK-AWEZNQCLSA-N 1 0 345.443 2.804 10 10 EFCERO CCOC1CC(C(=O)N(C)[C@@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001319452184 1328889904 /nfs/dbraw/zinc/88/99/04/1328889904.db2.gz KTXUKUTTXNZNPQ-ZLPCBKJTSA-N 1 0 348.487 2.755 10 10 EFCERO CN(C)c1ccc(CN(C)C(=O)C2C[NH+](C3CCCCC3)C2)cc1 ZINC001290291275 1321895487 /nfs/dbraw/zinc/89/54/87/1321895487.db2.gz SMUAELVFVYFCOA-UHFFFAOYSA-N 1 0 329.488 2.976 10 10 EFCERO COC(=O)/C=C\c1ccc(N2CC[N@H+](C)C[C@@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000737440170 1321978253 /nfs/dbraw/zinc/97/82/53/1321978253.db2.gz DXQMVZYLFGFGNY-BQLWYNFJSA-N 1 0 347.415 2.557 10 10 EFCERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2coc(C)n2)C(C)C)cc1C ZINC001319908657 1329033708 /nfs/dbraw/zinc/03/37/08/1329033708.db2.gz ZRHZYGPKGZQAGM-INIZCTEOSA-N 1 0 345.443 2.844 10 10 EFCERO C[NH+](C)C1CCC2(CC1)CCN(C(=O)Cc1ccc(O)c(O)c1)CC2 ZINC001298503636 1323553547 /nfs/dbraw/zinc/55/35/47/1323553547.db2.gz SGIAEKFRTONCLZ-UHFFFAOYSA-N 1 0 346.471 2.753 10 10 EFCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CCCCO2)cc1C ZINC001320383894 1329120294 /nfs/dbraw/zinc/12/02/94/1329120294.db2.gz FNRDANSSWAPPSQ-MAUKXSAKSA-N 1 0 334.460 2.557 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2ncoc2C)cc1C ZINC001491994298 1324113921 /nfs/dbraw/zinc/11/39/21/1324113921.db2.gz YSVLKDMOHYSYMG-CYBMUJFWSA-N 1 0 331.416 2.598 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)Cc2ccc[nH]2)cc1C ZINC001492126702 1324232849 /nfs/dbraw/zinc/23/28/49/1324232849.db2.gz GZZPUBKIEYOKSF-OAHLLOKOSA-N 1 0 329.444 2.559 10 10 EFCERO C[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)Nc1ccccc1F)c1ccccc1O ZINC001308010721 1324788823 /nfs/dbraw/zinc/78/88/23/1324788823.db2.gz XIUDANQFDDWCNQ-NEPJUHHUSA-N 1 0 345.374 2.919 10 10 EFCERO CC1(C)CN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000903986108 1324858261 /nfs/dbraw/zinc/85/82/61/1324858261.db2.gz FSXAYIPEWDNVTF-KRWDZBQOSA-N 1 0 332.448 2.754 10 10 EFCERO CC(C)C[NH2+][C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001317030501 1325494791 /nfs/dbraw/zinc/49/47/91/1325494791.db2.gz ABIHZMRTZYUDJM-HNNXBMFYSA-N 1 0 331.420 2.603 10 10 EFCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)CC(C)(F)F ZINC001320844050 1329309596 /nfs/dbraw/zinc/30/95/96/1329309596.db2.gz NLEMVRVIPKLBFF-UHFFFAOYSA-N 1 0 328.403 2.987 10 10 EFCERO CC[C@@H]1CCO[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001321095134 1329342273 /nfs/dbraw/zinc/34/22/73/1329342273.db2.gz ALLVDFZOPADHOZ-UCHJRYNZSA-N 1 0 346.471 2.581 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2cnc(C3CC3)o2)cc1C ZINC001317257506 1327795873 /nfs/dbraw/zinc/79/58/73/1327795873.db2.gz NFOYUOMLMOAMCE-CYBMUJFWSA-N 1 0 343.427 2.777 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)c2csnc2C)cc1C ZINC001317580166 1328160020 /nfs/dbraw/zinc/16/00/20/1328160020.db2.gz SWCJIHJTNUKMNZ-UHFFFAOYSA-N 1 0 333.457 2.630 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)Cc2ccc(C)o2)cc1C ZINC001321823099 1329410796 /nfs/dbraw/zinc/41/07/96/1329410796.db2.gz JEMOQGCTCSCULN-AWEZNQCLSA-N 1 0 330.428 2.742 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)CC[C@@H]2CCCCO2)cc1C ZINC001322004471 1329422007 /nfs/dbraw/zinc/42/20/07/1329422007.db2.gz QXTHXSUWMFPXGP-WMZOPIPTSA-N 1 0 348.487 2.947 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)CC3(OC)CCC3)CC2)cc1C ZINC001323434651 1329543098 /nfs/dbraw/zinc/54/30/98/1329543098.db2.gz CILBIPVZRYUYAY-UHFFFAOYSA-N 1 0 346.471 2.701 10 10 EFCERO Cc1cc(O)c(C[NH2+]C[C@@H](CO)CC2CCOCC2)c(Cl)c1 ZINC001327395306 1330471658 /nfs/dbraw/zinc/47/16/58/1330471658.db2.gz VLASIWMEFUZCAC-AWEZNQCLSA-N 1 0 327.852 2.869 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2nccs2)cc1C ZINC001328429229 1330591353 /nfs/dbraw/zinc/59/13/53/1330591353.db2.gz IGKOEQZOSCJJSQ-ZDUSSCGKSA-N 1 0 333.457 2.758 10 10 EFCERO CC(C)CC[NH2+][C@H](C)[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001329204363 1330680502 /nfs/dbraw/zinc/68/05/02/1330680502.db2.gz YXGNBYJOGZGFBA-CHWSQXEVSA-N 1 0 333.436 2.992 10 10 EFCERO c1cc(N2CCCC2)ccc1C[NH2+]C[C@H]1CC2(CO1)CCOCC2 ZINC001329293254 1330691487 /nfs/dbraw/zinc/69/14/87/1330691487.db2.gz SUQOLOKDCGMTQI-LJQANCHMSA-N 1 0 330.472 2.962 10 10 EFCERO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]Cc1nc2c(c(=O)[nH]1)COCC2 ZINC001329375461 1330699745 /nfs/dbraw/zinc/69/97/45/1330699745.db2.gz MUHIRVJYPWRZMZ-FZMZJTMJSA-N 1 0 341.411 2.607 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)Cc2cscn2)cc1C ZINC001331576788 1330855572 /nfs/dbraw/zinc/85/55/72/1330855572.db2.gz VIQWPBBFYORHPC-CQSZACIVSA-N 1 0 347.484 2.639 10 10 EFCERO c1cc(N2CCOCC2)ccc1C[NH+]1CC(CC2CCOCC2)C1 ZINC001332021435 1330905943 /nfs/dbraw/zinc/90/59/43/1330905943.db2.gz LBGIPECSNZSMSK-UHFFFAOYSA-N 1 0 330.472 2.772 10 10 EFCERO c1cc(N2CCCC2)ccc1C[NH2+][C@@H]1CCCN2CCSC[C@H]12 ZINC001332319478 1330957294 /nfs/dbraw/zinc/95/72/94/1330957294.db2.gz VAENQLMJZTWSFD-RTBURBONSA-N 1 0 331.529 2.956 10 10 EFCERO COC(=O)c1c(C[NH2+]C[C@H]2CCC[C@H](O)C2)c2cc(F)ccc2n1C ZINC001332706202 1331005987 /nfs/dbraw/zinc/00/59/87/1331005987.db2.gz VWDJOSDGQUTLFV-JSGCOSHPSA-N 1 0 348.418 2.745 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)C(F)F)C(C)(C)C)cc1C ZINC001332754529 1331016727 /nfs/dbraw/zinc/01/67/27/1331016727.db2.gz UKJGBPKPJPTKMO-CQSZACIVSA-N 1 0 328.403 2.889 10 10 EFCERO CCC[NH2+]C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(C)(C)C ZINC001332900266 1331044563 /nfs/dbraw/zinc/04/45/63/1331044563.db2.gz UJINDODCCJHWMI-CQSZACIVSA-N 1 0 333.436 2.993 10 10 EFCERO [NH3+][C@@H]1CN(Cc2ccc(N3CCCC3)cc2)CC[C@H]1C(F)(F)F ZINC001333175280 1331088165 /nfs/dbraw/zinc/08/81/65/1331088165.db2.gz FROZTWHBSVOKTH-HZPDHXFCSA-N 1 0 327.394 2.998 10 10 EFCERO C[NH+](C)C1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CCCC1 ZINC001338310129 1331690077 /nfs/dbraw/zinc/69/00/77/1331690077.db2.gz OKCZXNOTWFCUMS-UHFFFAOYSA-N 1 0 334.441 2.917 10 10 EFCERO CN1CCN(c2ccc(C[NH2+][C@H]3C[C@@H]4[C@H](C3)C4(F)F)cc2F)CC1 ZINC001346847222 1332696499 /nfs/dbraw/zinc/69/64/99/1332696499.db2.gz RHRQZSRCKGDSBF-QDMKHBRRSA-N 1 0 339.405 2.711 10 10 EFCERO CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CC[C@H]2C[C@@H](C)C[N@@H+]2C1 ZINC001349835984 1333003440 /nfs/dbraw/zinc/00/34/40/1333003440.db2.gz SARNVRHXIVNNTR-KFWWJZLASA-N 1 0 337.460 2.615 10 10 EFCERO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC001350396925 1333075127 /nfs/dbraw/zinc/07/51/27/1333075127.db2.gz FTPICZOQWOPMOC-SLBVQIDZSA-N 1 0 337.414 2.550 10 10 EFCERO CN(C)c1ccc(CN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C2CC2)cc1 ZINC000847410120 1333673224 /nfs/dbraw/zinc/67/32/24/1333673224.db2.gz YLCVZDKLQGJKOL-UWUNEBHHSA-N 1 0 344.503 2.767 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+]CCN2CCCC2)c1O ZINC000848513500 1334768482 /nfs/dbraw/zinc/76/84/82/1334768482.db2.gz FNEJDRMHXCQDOI-LLVKDONJSA-N 1 0 343.265 2.910 10 10 EFCERO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CS1 ZINC000848521310 1334771602 /nfs/dbraw/zinc/77/16/02/1334771602.db2.gz MPMFQAGXIMSEBM-PVAVHDDUSA-N 1 0 347.528 2.762 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCCOC2)c1O ZINC000848528444 1334776258 /nfs/dbraw/zinc/77/62/58/1334776258.db2.gz MCIWJAOJNSFHFN-ONGXEEELSA-N 1 0 330.222 2.993 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+][C@H](CCO)C2CC2)c1O ZINC000848534705 1334780464 /nfs/dbraw/zinc/78/04/64/1334780464.db2.gz UFNMGKZBBBCPNL-NOZJJQNGSA-N 1 0 344.249 2.975 10 10 EFCERO CC[C@@H](O)CC[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000848532919 1334780202 /nfs/dbraw/zinc/78/02/02/1334780202.db2.gz MNJXVNPMTMTNHF-MWLCHTKSSA-N 1 0 332.238 2.975 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+]Cc2ccn(C)n2)c1O ZINC000848535991 1334781079 /nfs/dbraw/zinc/78/10/79/1334781079.db2.gz JALNDGKKQGKOMM-VIFPVBQESA-N 1 0 340.221 2.748 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+]CCN2CCC2)c1O ZINC000848536967 1334782803 /nfs/dbraw/zinc/78/28/03/1334782803.db2.gz YQMGFNWJSUMGGD-JTQLQIEISA-N 1 0 329.238 2.520 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+][C@H](CO)CC2CC2)c1O ZINC000848536634 1334783546 /nfs/dbraw/zinc/78/35/46/1334783546.db2.gz SAOPGQWODPARAW-CABZTGNLSA-N 1 0 344.249 2.975 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CC[C@@H](O)C2)c1O ZINC000848548208 1334788254 /nfs/dbraw/zinc/78/82/54/1334788254.db2.gz YEZVXJFAPQMGIG-JBLDHEPKSA-N 1 0 344.249 2.975 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CCC[C@H]2O)c1O ZINC000848551865 1334791171 /nfs/dbraw/zinc/79/11/71/1334791171.db2.gz DOSRSMBCKZCASP-GBIKHYSHSA-N 1 0 344.249 2.975 10 10 EFCERO C[C@H]([NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)c1cc2c(cc1O)CCCC2 ZINC000848573436 1334800836 /nfs/dbraw/zinc/80/08/36/1334800836.db2.gz ZUTMMBGOFWLCJI-BLLLJJGKSA-N 1 0 330.428 2.905 10 10 EFCERO [NH3+]C[C@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000848714386 1334856597 /nfs/dbraw/zinc/85/65/97/1334856597.db2.gz OKEHYEUNGFAZCF-AWEZNQCLSA-N 1 0 346.353 2.564 10 10 EFCERO CCc1cccc(C[NH2+][C@H](C)Cn2ncc3ccccc3c2=O)c1O ZINC000848899846 1334970955 /nfs/dbraw/zinc/97/09/55/1334970955.db2.gz VHDMZGMFDAOYTB-CQSZACIVSA-N 1 0 337.423 2.843 10 10 EFCERO CCc1cccc(C[NH2+]C[C@@H](Cc2ccc(F)cc2)C(N)=O)c1O ZINC000848901182 1334972140 /nfs/dbraw/zinc/97/21/40/1334972140.db2.gz WEGXGPVKHJGLBM-MRXNPFEDSA-N 1 0 330.403 2.528 10 10 EFCERO Cc1cc(Cl)cc(C[NH2+]C[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000848923800 1334988772 /nfs/dbraw/zinc/98/87/72/1334988772.db2.gz PYWKGOUSEUEJQS-MCIONIFRSA-N 1 0 326.868 2.941 10 10 EFCERO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)cc1 ZINC000848929922 1334995120 /nfs/dbraw/zinc/99/51/20/1334995120.db2.gz LLGXDUBXJFHBHN-GUWAZMKPSA-N 1 0 343.515 2.953 10 10 EFCERO COc1cc(O)c(CNc2ccc([C@@H]3C[NH2+]CCO3)cc2)cc1OC ZINC000849352541 1335597257 /nfs/dbraw/zinc/59/72/57/1335597257.db2.gz OCJGVVUZWRRRDD-IBGZPJMESA-N 1 0 344.411 2.682 10 10 EFCERO COc1cc(O)c(CNc2ccc([C@H]3C[NH2+]CCO3)cc2)cc1OC ZINC000849352542 1335597380 /nfs/dbraw/zinc/59/73/80/1335597380.db2.gz OCJGVVUZWRRRDD-LJQANCHMSA-N 1 0 344.411 2.682 10 10 EFCERO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)[C@@H]2CCCOC2)cc1C ZINC001506913795 1406433833 /nfs/dbraw/zinc/43/38/33/1406433833.db2.gz JHVCYGMCSQZGMB-FUHWJXTLSA-N 1 0 348.487 2.805 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)CC[C@@H]2CCCO2)cc1C ZINC001507047898 1406636866 /nfs/dbraw/zinc/63/68/66/1406636866.db2.gz NQOZIKQAPLJLBL-AEFFLSMTSA-N 1 0 348.487 2.899 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)CC[C@H]2CCOC2)cc1C ZINC001507060161 1406650851 /nfs/dbraw/zinc/65/08/51/1406650851.db2.gz IXRYHCDUBSHGMF-SJORKVTESA-N 1 0 348.487 2.757 10 10 EFCERO COc1ccc(N2CCC[N@H+](Cc3cccc(N(C)C)n3)CC2)cc1 ZINC001459355532 1395820754 /nfs/dbraw/zinc/82/07/54/1395820754.db2.gz ZORNJWPMNUKRTP-UHFFFAOYSA-N 1 0 340.471 2.869 10 10 EFCERO CC(C)CC[NH2+][C@H](C)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001507160206 1406789057 /nfs/dbraw/zinc/78/90/57/1406789057.db2.gz XCNXTJKBPJUJDX-CYBMUJFWSA-N 1 0 333.436 2.945 10 10 EFCERO COC1CCN(c2ccc(C[N@H+]3C[C@@H]4C[C@H](O)CC[C@@H]4C3)cc2)CC1 ZINC001460414482 1396067747 /nfs/dbraw/zinc/06/77/47/1396067747.db2.gz KPQQPNVTMKESJV-WSTZPKSXSA-N 1 0 344.499 2.895 10 10 EFCERO COc1ccc(N2CC[NH+](C[C@@H](CC(C)C)OC)CC2)c(OC)c1 ZINC001460652544 1396240699 /nfs/dbraw/zinc/24/06/99/1396240699.db2.gz SRJFRZYEYASPCO-QGZVFWFLSA-N 1 0 336.476 2.887 10 10 EFCERO CCCOCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@H]1C ZINC001507274990 1406838321 /nfs/dbraw/zinc/83/83/21/1406838321.db2.gz WPXZDXHJIFPMKA-NVXWUHKLSA-N 1 0 334.460 2.509 10 10 EFCERO COc1ccc(C[NH2+][C@H]2CCN(C(=O)COC(C)(C)C)[C@@H]2C)cc1C ZINC001507278359 1406840632 /nfs/dbraw/zinc/84/06/32/1406840632.db2.gz OYXNNQGXECFPDT-WBVHZDCISA-N 1 0 348.487 2.898 10 10 EFCERO C[N@H+](CCc1cccc(NC(=O)c2cccc(O)c2O)c1)C1CC1 ZINC001466485659 1396756127 /nfs/dbraw/zinc/75/61/27/1396756127.db2.gz CPUNMNVDKVQGPF-UHFFFAOYSA-N 1 0 326.396 2.987 10 10 EFCERO C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CCC(C)(C)C3)cc2)CC1 ZINC001469435267 1397032255 /nfs/dbraw/zinc/03/22/55/1397032255.db2.gz GERWGZJXNDXJDE-QGZVFWFLSA-N 1 0 344.503 2.816 10 10 EFCERO C[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CCC(C)(C)C3)cc2)CC1 ZINC001469435266 1397032345 /nfs/dbraw/zinc/03/23/45/1397032345.db2.gz GERWGZJXNDXJDE-KRWDZBQOSA-N 1 0 344.503 2.816 10 10 EFCERO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)COCC3CC3)C2)cc1C ZINC001507301912 1406866150 /nfs/dbraw/zinc/86/61/50/1406866150.db2.gz SSHUZCPKXPIYDF-MAUKXSAKSA-N 1 0 346.471 2.509 10 10 EFCERO CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2CCC[C@@H]3C[C@@H]32)[NH+](C)C)cc1 ZINC001470475239 1397092265 /nfs/dbraw/zinc/09/22/65/1397092265.db2.gz ZYUONKOVNPPBMF-XGXHKWSGSA-N 1 0 344.503 2.843 10 10 EFCERO C[C@H]1CN(CC[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)C[C@H](C)O1 ZINC001473114922 1397283398 /nfs/dbraw/zinc/28/33/98/1397283398.db2.gz JHZHLGJRHSXYRH-IRXDYDNUSA-N 1 0 331.504 2.826 10 10 EFCERO C[C@@H](CN1CCOCC1)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC001473262904 1397292541 /nfs/dbraw/zinc/29/25/41/1397292541.db2.gz NDPMJMMPMXJPSM-KRWDZBQOSA-N 1 0 344.455 2.956 10 10 EFCERO C[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC001473723164 1397324681 /nfs/dbraw/zinc/32/46/81/1397324681.db2.gz ZRXDDPDAWAUILA-VXGBXAGGSA-N 1 0 329.356 2.978 10 10 EFCERO COc1ccc(C[NH2+][C@@H](CNC(=O)C[C@@H]2CCCO2)C2CC2)cc1C ZINC001480005428 1398084065 /nfs/dbraw/zinc/08/40/65/1398084065.db2.gz RZOXMEUYTYPRKB-ROUUACIJSA-N 1 0 346.471 2.557 10 10 EFCERO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)CC(C)(C)O)C2)cc1C ZINC001480693854 1398288021 /nfs/dbraw/zinc/28/80/21/1398288021.db2.gz VQJIUMVUQSICPB-IAGOWNOFSA-N 1 0 348.487 2.682 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CCn2cccc2)cc1C ZINC001496195699 1400532434 /nfs/dbraw/zinc/53/24/34/1400532434.db2.gz XNDGAAKKQOXBCI-QGZVFWFLSA-N 1 0 343.471 2.832 10 10 EFCERO CC[C@H](C)C[NH2+]CC[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001497329490 1401306485 /nfs/dbraw/zinc/30/64/85/1401306485.db2.gz NUCRSVBNMIAYFN-QWHCGFSZSA-N 1 0 333.436 2.993 10 10 EFCERO CCc1oncc1C(=O)NC/C=C\C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001497694905 1401559210 /nfs/dbraw/zinc/55/92/10/1401559210.db2.gz XGCSGYHOOPMYKA-WAYWQWQTSA-N 1 0 343.427 2.630 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H](C)c2cccnc2)cc1C ZINC001497964739 1401778560 /nfs/dbraw/zinc/77/85/60/1401778560.db2.gz XJCAZEYGODWZAQ-HZPDHXFCSA-N 1 0 341.455 2.797 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)c2conc2C)C2CC2)cc1C ZINC001498815398 1402309586 /nfs/dbraw/zinc/30/95/86/1402309586.db2.gz CCBLRGWDIDAALR-QGZVFWFLSA-N 1 0 343.427 2.598 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)N2CCC[C@H]2C[NH2+]C/C=C\Cl)cc1 ZINC001499954892 1402868671 /nfs/dbraw/zinc/86/86/71/1402868671.db2.gz JLXUDVDPRDIYCZ-JUHIVRTASA-N 1 0 349.822 2.796 10 10 EFCERO CCOCCC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001501107618 1403442322 /nfs/dbraw/zinc/44/23/22/1403442322.db2.gz RKXXZCJOGBYZTB-WMZOPIPTSA-N 1 0 348.487 2.614 10 10 EFCERO CC[C@H](OC)C(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CCC1 ZINC001501925826 1403883606 /nfs/dbraw/zinc/88/36/06/1403883606.db2.gz XAPYNQZAFXRTPQ-INIZCTEOSA-N 1 0 334.460 2.557 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)COC2CCCC2)cc1C ZINC001505567343 1404786969 /nfs/dbraw/zinc/78/69/69/1404786969.db2.gz UGHUOHUJGUITDW-JKSUJKDBSA-N 1 0 348.487 2.946 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2ncoc2C)cc1C ZINC001505570260 1404792232 /nfs/dbraw/zinc/79/22/32/1404792232.db2.gz KCBRGNFGGUUFSR-OLZOCXBDSA-N 1 0 331.416 2.597 10 10 EFCERO CC(C)=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001505765476 1405040930 /nfs/dbraw/zinc/04/09/30/1405040930.db2.gz SSWWGIJVKQHIKU-QWHCGFSZSA-N 1 0 331.420 2.912 10 10 EFCERO CC[C@H](F)C[NH2+][C@H]1C[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001565878808 1415132632 /nfs/dbraw/zinc/13/26/32/1415132632.db2.gz YWVQIDPXEHQQGE-WHOFXGATSA-N 1 0 349.410 2.695 10 10 EFCERO COc1ccc(N(C)CC[N@H+](C)Cc2ccc3nonc3c2)cc1 ZINC001559966641 1415260165 /nfs/dbraw/zinc/26/01/65/1415260165.db2.gz HGTAIIPAYKLJGU-UHFFFAOYSA-N 1 0 326.400 2.800 10 10 EFCERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1O ZINC001560075216 1415262598 /nfs/dbraw/zinc/26/25/98/1415262598.db2.gz WWLBTSJUJXAHRW-MNOVXSKESA-N 1 0 340.383 2.652 10 10 EFCERO Cc1cc(C[N@@H+]2CCN(c3cnccn3)[C@H](C)C2)ccc1N(C)C ZINC001560239570 1415269833 /nfs/dbraw/zinc/26/98/33/1415269833.db2.gz JFUOUNGDGALUBD-MRXNPFEDSA-N 1 0 325.460 2.562 10 10 EFCERO CCOc1ccc(N2CCN(C(=O)C3([NH+](C)C)CCCC3)CC2)cc1 ZINC001566563161 1415646470 /nfs/dbraw/zinc/64/64/70/1415646470.db2.gz UXKBMTYKMNANSC-UHFFFAOYSA-N 1 0 345.487 2.608 10 10 EFCERO COc1ccc(C[NH2+][C@H](CNC(=O)c2ccc[nH]2)C2CC2)cc1C ZINC001566702368 1415739657 /nfs/dbraw/zinc/73/96/57/1415739657.db2.gz IYAAFWHFSCAKRQ-QGZVFWFLSA-N 1 0 327.428 2.630 10 10 EFCERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2nccs2)C2CC2)cc1C ZINC001566726151 1415747610 /nfs/dbraw/zinc/74/76/10/1415747610.db2.gz NYKWDLFAIRPPLH-HNNXBMFYSA-N 1 0 345.468 2.758 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)Cc2cncc(C)c2)cc1C ZINC001567039893 1415910833 /nfs/dbraw/zinc/91/08/33/1415910833.db2.gz WJCODCGXEKJGPI-MRXNPFEDSA-N 1 0 341.455 2.544 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)Cc2cncc(C)c2)cc1C ZINC001567039889 1415910977 /nfs/dbraw/zinc/91/09/77/1415910977.db2.gz WJCODCGXEKJGPI-INIZCTEOSA-N 1 0 341.455 2.544 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2ccn(C)c2C)cc1C ZINC001567053267 1415916705 /nfs/dbraw/zinc/91/67/05/1415916705.db2.gz SFWFBFKYOIYRLJ-AWEZNQCLSA-N 1 0 329.444 2.559 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2cncc(Cl)c2)cc1C ZINC001567062821 1415919939 /nfs/dbraw/zinc/91/99/39/1415919939.db2.gz QTMXYTHXEBPULV-ZDUSSCGKSA-N 1 0 347.846 2.960 10 10 EFCERO C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CC1CC(C)C1 ZINC001567083810 1415928964 /nfs/dbraw/zinc/92/89/64/1415928964.db2.gz UBTOZPHTKWBUID-CPCZMJQVSA-N 1 0 331.420 2.603 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@H]2C[C@@H]2C(F)F)cc1C ZINC001567213895 1415998521 /nfs/dbraw/zinc/99/85/21/1415998521.db2.gz GGCZPNPCQJJNNJ-QEJZJMRPSA-N 1 0 340.414 2.889 10 10 EFCERO C[NH+]1CCN(c2ccc(CNC(=O)N3CCCCCCC3)cc2)CC1 ZINC001683699215 1416682929 /nfs/dbraw/zinc/68/29/29/1416682929.db2.gz VTJXBFDFZOMSBJ-UHFFFAOYSA-N 1 0 344.503 2.914 10 10 EFCERO CC(C)C1(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC1 ZINC001684608059 1416724350 /nfs/dbraw/zinc/72/43/50/1416724350.db2.gz ZPBMXGCKQKPBHL-QGZVFWFLSA-N 1 0 332.492 2.843 10 10 EFCERO CCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC001686827020 1416811091 /nfs/dbraw/zinc/81/10/91/1416811091.db2.gz UZNWTNQRRZVPJZ-FUHWJXTLSA-N 1 0 346.519 2.776 10 10 EFCERO CN(Cc1ccc(N2CCCC2)cc1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001686904413 1416814427 /nfs/dbraw/zinc/81/44/27/1416814427.db2.gz ALNRRXCFLZYLPQ-IZAXUBKRSA-N 1 0 344.503 2.768 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C3(CF)CCC3)C2)cc1C ZINC001690356895 1417195489 /nfs/dbraw/zinc/19/54/89/1417195489.db2.gz YYWVKTMBTYWMKR-IYBDPMFKSA-N 1 0 334.435 2.880 10 10 EFCERO COC[C@@H](C)CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001690747682 1417236976 /nfs/dbraw/zinc/23/69/76/1417236976.db2.gz GLWYVWQOGLJGOT-MAUKXSAKSA-N 1 0 348.487 2.614 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2cccc(C)n2)cc1C ZINC001698738132 1417323747 /nfs/dbraw/zinc/32/37/47/1417323747.db2.gz FWTUYWCXBQXKHG-AWEZNQCLSA-N 1 0 341.455 2.863 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2c(F)cncc2F)cc1C ZINC001699363462 1417421559 /nfs/dbraw/zinc/42/15/59/1417421559.db2.gz JKKQAQCPKHVIGU-GFCCVEGCSA-N 1 0 349.381 2.585 10 10 EFCERO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@H]2[C@@H]3CCC[C@@H]32)cc1C ZINC001699500696 1417426704 /nfs/dbraw/zinc/42/67/04/1417426704.db2.gz DEBHHVUTJDNQHK-DZFIZOCASA-N 1 0 330.472 2.988 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)c2cc(F)c[nH]2)C2CC2)cc1C ZINC001699584500 1417432903 /nfs/dbraw/zinc/43/29/03/1417432903.db2.gz VFMILMXIQLPCSJ-QGZVFWFLSA-N 1 0 345.418 2.769 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)Cc2ccc[nH]2)cc1C ZINC001700777890 1417645080 /nfs/dbraw/zinc/64/50/80/1417645080.db2.gz RZOWBGKIXMJMFI-HNNXBMFYSA-N 1 0 329.444 2.511 10 10 EFCERO CCOCCC(=O)N1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@H]1C ZINC001700834439 1417662859 /nfs/dbraw/zinc/66/28/59/1417662859.db2.gz LLPCHFRLZSGPFX-NVXWUHKLSA-N 1 0 334.460 2.509 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)CC[C@H]2CCCO2)cc1C ZINC001713295657 1418459732 /nfs/dbraw/zinc/45/97/32/1418459732.db2.gz HQOYASCTTFYUJD-NVXWUHKLSA-N 1 0 334.460 2.557 10 10 EFCERO COCCC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001713366929 1418494891 /nfs/dbraw/zinc/49/48/91/1418494891.db2.gz IFNASVQEEPZRHP-IRXDYDNUSA-N 1 0 334.460 2.557 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2csnc2C)cc1C ZINC001714227092 1418590749 /nfs/dbraw/zinc/59/07/49/1418590749.db2.gz WIDHJJOGLIGCJS-GFCCVEGCSA-N 1 0 333.457 2.677 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](OC)C(C)C)cc1C ZINC001714744536 1418621492 /nfs/dbraw/zinc/62/14/92/1418621492.db2.gz CINRRONZBYLOKK-YJBOKZPZSA-N 1 0 336.476 2.611 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)[C@H]2Cc3ccccc32)cc1C ZINC001714752839 1418625117 /nfs/dbraw/zinc/62/51/17/1418625117.db2.gz HXTUGJDBXJSVMP-IBGZPJMESA-N 1 0 338.451 2.892 10 10 EFCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)c1ccc(F)cn1 ZINC001716213984 1418725394 /nfs/dbraw/zinc/72/53/94/1418725394.db2.gz PFEWUCZQEICATP-UHFFFAOYSA-N 1 0 345.418 2.790 10 10 EFCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@H]1CCO[C@@H](C)C1 ZINC001716252396 1418740067 /nfs/dbraw/zinc/74/00/67/1418740067.db2.gz KLKHKRKVGWMXHZ-WMZOPIPTSA-N 1 0 348.487 2.757 10 10 EFCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@@H]1CCO[C@@H](C)C1 ZINC001716252394 1418740516 /nfs/dbraw/zinc/74/05/16/1418740516.db2.gz KLKHKRKVGWMXHZ-FUHWJXTLSA-N 1 0 348.487 2.757 10 10 EFCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)C2(CF)CCC2)cc1C ZINC001716346201 1418789172 /nfs/dbraw/zinc/78/91/72/1418789172.db2.gz HDZDDUFBCGTLJM-ONEGZZNKSA-N 1 0 334.435 2.905 10 10 EFCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)c2ncccc2F)cc1C ZINC001716356848 1418797358 /nfs/dbraw/zinc/79/73/58/1418797358.db2.gz BDNUTVMLUGLUNL-ARJAWSKDSA-N 1 0 343.402 2.614 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2[nH]c(C)cc2C)cc1C ZINC001716400674 1418873748 /nfs/dbraw/zinc/87/37/48/1418873748.db2.gz KGNZNBURXBNCKG-OAHLLOKOSA-N 1 0 329.444 2.857 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)CC[C@@H]2CCCCO2)cc1C ZINC001716414762 1418876032 /nfs/dbraw/zinc/87/60/32/1418876032.db2.gz QXTHXSUWMFPXGP-AEFFLSMTSA-N 1 0 348.487 2.947 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2cc(C)c(C)cn2)cc1C ZINC001716446192 1418885636 /nfs/dbraw/zinc/88/56/36/1418885636.db2.gz LEHABDAMTRVHGG-INIZCTEOSA-N 1 0 341.455 2.924 10 10 EFCERO CC[C@@H]1CN(C(=O)CCOC)CC[C@@H]1[NH2+]Cc1ccc(OC)c(C)c1 ZINC001716630843 1418930119 /nfs/dbraw/zinc/93/01/19/1418930119.db2.gz SWKZMKQNQOJNLN-MSOLQXFVSA-N 1 0 348.487 2.757 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@H]3CCC3(F)F)CC2)cc1C ZINC001716684629 1418957248 /nfs/dbraw/zinc/95/72/48/1418957248.db2.gz WLVNWNMOSFQAKZ-CQSZACIVSA-N 1 0 338.398 2.787 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)c3cc(F)c[nH]3)CC2)cc1C ZINC001716688172 1418958669 /nfs/dbraw/zinc/95/86/69/1418958669.db2.gz WZVZIDGLZGEZND-UHFFFAOYSA-N 1 0 331.391 2.523 10 10 EFCERO CC[C@@H](F)C[NH2+]C1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CCC1 ZINC001717162848 1419244425 /nfs/dbraw/zinc/24/44/25/1419244425.db2.gz KFYAQLMBZGIRAC-CYBMUJFWSA-N 1 0 349.410 2.839 10 10 EFCERO CCC1([NH2+]Cc2ccc(OC)c(C)c2)CCN(C(=O)[C@H](C)OC)CC1 ZINC001717235435 1419279653 /nfs/dbraw/zinc/27/96/53/1419279653.db2.gz MCMGJOVLWVRPKM-INIZCTEOSA-N 1 0 348.487 2.899 10 10 EFCERO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)COC(C)(C)C)C2)cc1C ZINC001717640057 1419483782 /nfs/dbraw/zinc/48/37/82/1419483782.db2.gz KLMQFRNYRYPGHR-QAQDUYKDSA-N 1 0 348.487 2.803 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](NC(=O)[C@H]2CCOC2)C(C)(C)C)cc1C ZINC001717956775 1419628161 /nfs/dbraw/zinc/62/81/61/1419628161.db2.gz YGQKQZMGXOAUIJ-WMZOPIPTSA-N 1 0 348.487 2.661 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)c3ncccc3F)CC2)cc1C ZINC001723575974 1424524842 /nfs/dbraw/zinc/52/48/42/1424524842.db2.gz AUKPXRHCWXMEGU-UHFFFAOYSA-N 1 0 343.402 2.590 10 10 EFCERO COCCCC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001724520417 1424779227 /nfs/dbraw/zinc/77/92/27/1424779227.db2.gz UTRTUMVXJPXQEF-FUHWJXTLSA-N 1 0 348.487 2.757 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H](OC)C3CC3)CCC2)cc1C ZINC001724782744 1425010726 /nfs/dbraw/zinc/01/07/26/1425010726.db2.gz JMBRQFNNUYHSQI-SFHVURJKSA-N 1 0 346.471 2.557 10 10 EFCERO COc1ccc(C[NH2+]CC2(NC(=O)CC3CC3)CCOCC2)cc1C ZINC001724910690 1425126403 /nfs/dbraw/zinc/12/64/03/1425126403.db2.gz KBKFXOHAPTUYAX-UHFFFAOYSA-N 1 0 346.471 2.559 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2c(C)noc2C)cc1C ZINC001725079194 1425285101 /nfs/dbraw/zinc/28/51/01/1425285101.db2.gz HZIZFPMYTVDADN-QWHCGFSZSA-N 1 0 345.443 2.905 10 10 EFCERO Cc1cnn(C[C@H]2C[N@H+](Cc3cc4c(cc3O)CCCC4)CCO2)c1 ZINC000160184037 712914602 /nfs/dbraw/zinc/91/46/02/712914602.db2.gz RQISBEYYWSEGQT-LJQANCHMSA-N 1 0 341.455 2.677 10 10 EFCERO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1cc(Br)ccc1O ZINC000804739296 713456421 /nfs/dbraw/zinc/45/64/21/713456421.db2.gz VDCYJGRALZIQEA-GHMZBOCLSA-N 1 0 341.249 2.644 10 10 EFCERO CC(=O)c1cc(F)cc(C[NH2+][C@](C)(CO)Cc2ccc(F)cc2)c1O ZINC000933439513 714785224 /nfs/dbraw/zinc/78/52/24/714785224.db2.gz QZYMMKFTHJJAND-IBGZPJMESA-N 1 0 349.377 2.956 10 10 EFCERO C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cc(Br)c(F)cc1[O-] ZINC000925787368 718019201 /nfs/dbraw/zinc/01/92/01/718019201.db2.gz YQCCJHIVFZDSGJ-BBBLOLIVSA-N 1 0 331.229 2.800 10 10 EFCERO O=C1CC2(CCC2)[N@H+](Cc2ccc(N3CCCCC3)cc2)CCN1 ZINC000895929123 724398748 /nfs/dbraw/zinc/39/87/48/724398748.db2.gz WZWZBXAOEBIYQR-UHFFFAOYSA-N 1 0 327.472 2.922 10 10 EFCERO O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000896104694 723139515 /nfs/dbraw/zinc/13/95/15/723139515.db2.gz IESGGIOPTBCWEB-GFCCVEGCSA-N 1 0 332.425 2.623 10 10 EFCERO CCOc1cccc(C[NH2+]C/C=C\CNC(=O)OC(C)(C)C)c1O ZINC000382724152 717176377 /nfs/dbraw/zinc/17/63/77/717176377.db2.gz YIIQAXMYDJDQRE-SREVYHEPSA-N 1 0 336.432 2.961 10 10 EFCERO CCOc1cccc(C[NH2+]C/C=C/CNC(=O)OC(C)(C)C)c1O ZINC000382724153 717179573 /nfs/dbraw/zinc/17/95/73/717179573.db2.gz YIIQAXMYDJDQRE-VOTSOKGWSA-N 1 0 336.432 2.961 10 10 EFCERO Cc1cc(O)c(C[NH2+]C[C@](C)(O)C(=O)OC(C)(C)C)c(Cl)c1 ZINC000840939235 717872054 /nfs/dbraw/zinc/87/20/54/717872054.db2.gz KKZHAUWNSWLQBD-INIZCTEOSA-N 1 0 329.824 2.536 10 10 EFCERO CC[C@H]([NH2+]C1COCCOC1)c1cc(Br)ccc1O ZINC000312108522 720022367 /nfs/dbraw/zinc/02/23/67/720022367.db2.gz XWTRVEFUXFOMGG-ZDUSSCGKSA-N 1 0 330.222 2.611 10 10 EFCERO COC(=O)[C@@H]1CSCC[N@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840978915 720028276 /nfs/dbraw/zinc/02/82/76/720028276.db2.gz XGVHEYADWAZOOF-NSHDSACASA-N 1 0 329.849 2.692 10 10 EFCERO COC(=O)c1c(C[N@H+](C)C[C@H]2CCOC2)c2cc(F)ccc2n1C ZINC000894083582 720264222 /nfs/dbraw/zinc/26/42/22/720264222.db2.gz JWONXQZMLSAONE-GFCCVEGCSA-N 1 0 334.391 2.572 10 10 EFCERO CCOC[C@@H]1CC[N@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)OC)C1 ZINC000894084005 720264695 /nfs/dbraw/zinc/26/46/95/720264695.db2.gz NEWLODDNGZYFNG-CYBMUJFWSA-N 1 0 348.418 2.962 10 10 EFCERO COC(=O)c1c(C[NH2+]CCc2ccncc2)c2cc(F)ccc2n1C ZINC000894334389 722114834 /nfs/dbraw/zinc/11/48/34/722114834.db2.gz HROXCZFXIFLZOJ-UHFFFAOYSA-N 1 0 341.386 2.831 10 10 EFCERO COc1cc(C)cc(C[N@H+](C)C2CCN(c3cnccn3)CC2)c1O ZINC000894592145 722792696 /nfs/dbraw/zinc/79/26/96/722792696.db2.gz HTHJVZKZSBKLPL-UHFFFAOYSA-N 1 0 342.443 2.600 10 10 EFCERO COc1cc(C)cc(C[NH2+]C/C=C\CNC(=O)OC(C)(C)C)c1O ZINC000894597259 722793877 /nfs/dbraw/zinc/79/38/77/722793877.db2.gz JRCUXQBBQBSBQJ-SREVYHEPSA-N 1 0 336.432 2.880 10 10 EFCERO COC(=O)c1c(C[NH2+]CCCOC(F)F)c2cc(F)ccc2n1C ZINC000894679212 722813905 /nfs/dbraw/zinc/81/39/05/722813905.db2.gz LSVQMCDPRARTLY-UHFFFAOYSA-N 1 0 344.333 2.823 10 10 EFCERO COC(=O)c1c(C[N@@H+]2CCC[C@H](CO)CC2)c2cc(F)ccc2n1C ZINC000894866175 722918183 /nfs/dbraw/zinc/91/81/83/722918183.db2.gz KGVLGRKCHZSASE-ZDUSSCGKSA-N 1 0 348.418 2.698 10 10 EFCERO COC(=O)c1c(C[NH2+][C@H](C)CCCCO)c2cc(F)ccc2n1C ZINC000894880077 722936784 /nfs/dbraw/zinc/93/67/84/722936784.db2.gz CFSOBNNNYMHCDU-GFCCVEGCSA-N 1 0 336.407 2.745 10 10 EFCERO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000895970973 723076867 /nfs/dbraw/zinc/07/68/67/723076867.db2.gz HXIYWIUDIINDLI-LLVKDONJSA-N 1 0 334.441 2.774 10 10 EFCERO CC(=O)c1c(F)cncc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000895144031 723446747 /nfs/dbraw/zinc/44/67/47/723446747.db2.gz GDBXDJNTRTVGGO-UHFFFAOYSA-N 1 0 342.418 2.787 10 10 EFCERO COc1c(O)c(C[NH2+]Cc2cnc(Cl)s2)ccc1[N+](=O)[O-] ZINC000895154364 723478666 /nfs/dbraw/zinc/47/86/66/723478666.db2.gz YFNIEBKUUOYMHR-UHFFFAOYSA-N 1 0 329.765 2.709 10 10 EFCERO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000896850724 723545972 /nfs/dbraw/zinc/54/59/72/723545972.db2.gz TXOWOHPSFZFNDC-RYUDHWBXSA-N 1 0 334.441 2.915 10 10 EFCERO COc1ccc(N2CCN(CCC[NH2+][C@H](C)[C@@H]3C[C@@H]3C)CC2)cc1 ZINC000840710062 723900538 /nfs/dbraw/zinc/90/05/38/723900538.db2.gz HRFMIIIFNNSFHE-SQGPQFPESA-N 1 0 331.504 2.841 10 10 EFCERO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc4cc(O)c(O)cc4s3)CC[C@@H]21 ZINC000897016867 723946377 /nfs/dbraw/zinc/94/63/77/723946377.db2.gz MFEIPKNYXIHKIJ-AAEUAGOBSA-N 1 0 346.452 2.869 10 10 EFCERO CN(C)c1ccc(/C=C/C[NH2+]CCN2C[C@H]3CCCCN3C2=O)cc1 ZINC000895343780 724052365 /nfs/dbraw/zinc/05/23/65/724052365.db2.gz LJURJUPXQDDZNT-ZMBJWTFHSA-N 1 0 342.487 2.646 10 10 EFCERO CCOc1ccc(C[NH2+]Cc2cnc(Br)cn2)c(O)c1 ZINC000895409272 724120860 /nfs/dbraw/zinc/12/08/60/724120860.db2.gz ZQKXMJFIXDWFCC-UHFFFAOYSA-N 1 0 338.205 2.633 10 10 EFCERO COC(=O)c1c(C[NH2+]CCc2ccns2)c2cc(F)ccc2n1C ZINC000895527272 724178728 /nfs/dbraw/zinc/17/87/28/724178728.db2.gz LGMXGNJQCFLNBE-UHFFFAOYSA-N 1 0 347.415 2.893 10 10 EFCERO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000895739491 724288538 /nfs/dbraw/zinc/28/85/38/724288538.db2.gz CQTNSCVRLNYTDN-NSHDSACASA-N 1 0 334.441 2.917 10 10 EFCERO COc1cc(Cl)cc(C[NH2+]C[C@H](O)Cc2ccc(F)cc2)c1O ZINC000895754076 724299203 /nfs/dbraw/zinc/29/92/03/724299203.db2.gz VXYPASWICXTCFO-OAHLLOKOSA-N 1 0 339.794 2.887 10 10 EFCERO Fc1cc(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)ccc1N1CCOCC1 ZINC000895845900 724347613 /nfs/dbraw/zinc/34/76/13/724347613.db2.gz PRYRZDJNHRYXGP-LPHOPBHVSA-N 1 0 334.435 2.663 10 10 EFCERO OC1CCN(c2ccc(C[N@@H+]3CC[C@@H]([C@@H]4CCCO4)C3)cc2)CC1 ZINC000895847001 724347943 /nfs/dbraw/zinc/34/79/43/724347943.db2.gz XVLRSBCBMOEHCE-XLIONFOSSA-N 1 0 330.472 2.649 10 10 EFCERO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCc1c(O)cccc1F ZINC000914098854 726039115 /nfs/dbraw/zinc/03/91/15/726039115.db2.gz MELSSFFITGWBMT-AWEZNQCLSA-N 1 0 337.439 2.985 10 10 EFCERO C[NH+]1CCN(c2ccc(CNC(=O)NCCC3CC=CC3)cc2)CC1 ZINC000924007348 727726073 /nfs/dbraw/zinc/72/60/73/727726073.db2.gz MQECWYSAUHZZFQ-UHFFFAOYSA-N 1 0 342.487 2.594 10 10 EFCERO COc1ccc(N2CC[NH+](C[C@H](O)c3ccccc3C)CC2)cc1 ZINC000324688507 727739118 /nfs/dbraw/zinc/73/91/18/727739118.db2.gz LSCLVDXKUSIVHO-FQEVSTJZSA-N 1 0 326.440 2.859 10 10 EFCERO Cc1cc(C(=O)N(C)CCC[NH+](C)C)c(C)n1-c1ccc(C#N)cc1 ZINC000182008599 727898134 /nfs/dbraw/zinc/89/81/34/727898134.db2.gz WCXCQGFGFUCOPH-UHFFFAOYSA-N 1 0 338.455 2.990 10 10 EFCERO COc1cc(C[N@@H+]2CCC[C@@H](NC(C)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000164139351 727915926 /nfs/dbraw/zinc/91/59/26/727915926.db2.gz QJEINWQLBLMUMM-OAHLLOKOSA-N 1 0 334.460 2.799 10 10 EFCERO CCOc1ccnc(N2CC[NH+](Cc3cc(C)cc(C)c3O)CC2)n1 ZINC000164381706 727937006 /nfs/dbraw/zinc/93/70/06/727937006.db2.gz YTVNXCSNJNUGCB-UHFFFAOYSA-N 1 0 342.443 2.520 10 10 EFCERO C[C@@](CO)([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000237653911 729596963 /nfs/dbraw/zinc/59/69/63/729596963.db2.gz KSWLSDGOAZPOEF-FQEVSTJZSA-N 1 0 326.440 2.521 10 10 EFCERO Cc1cccc(C[NH+]2CCN(Cc3nccn3C(F)F)CC2)c1O ZINC000179888936 729648184 /nfs/dbraw/zinc/64/81/84/729648184.db2.gz VCZPGEQBOPETKX-UHFFFAOYSA-N 1 0 336.386 2.610 10 10 EFCERO COc1ccc(N2CCN(CC(=O)N[C@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000068678571 729740872 /nfs/dbraw/zinc/74/08/72/729740872.db2.gz HQRBWCSKZDXZJU-LPHOPBHVSA-N 1 0 345.487 2.512 10 10 EFCERO CCOc1ccc(O)c(C[NH2+][C@@](C)(CO)Cc2ccccc2OC)c1 ZINC000865715541 1126115065 /nfs/dbraw/zinc/11/50/65/1126115065.db2.gz AYNAYZLQAUXNSK-HXUWFJFHSA-N 1 0 345.439 2.883 10 10 EFCERO COc1ccc(C[NH2+]CC[C@H]2CCN(C(=O)[C@@H]3CCCO3)C2)cc1C ZINC001569962954 1085790352 /nfs/dbraw/zinc/79/03/52/1085790352.db2.gz SFHXRJXUEHGYQT-LPHOPBHVSA-N 1 0 346.471 2.511 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@H]3CCCCO3)CCC2)cc1C ZINC001570101083 1085948176 /nfs/dbraw/zinc/94/81/76/1085948176.db2.gz AGDJSYSWGOSNGM-GOSISDBHSA-N 1 0 346.471 2.701 10 10 EFCERO COc1ccc(N2CC[C@H](CNC(=O)C3([NH+](C)C)CCCC3)C2)cc1 ZINC001570565413 1086369056 /nfs/dbraw/zinc/36/90/56/1086369056.db2.gz NQKMVXQCYUGFDK-MRXNPFEDSA-N 1 0 345.487 2.512 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2ccns2)cc1C ZINC001570608846 1086404374 /nfs/dbraw/zinc/40/43/74/1086404374.db2.gz UBJCXPPQDXXEMN-OLZOCXBDSA-N 1 0 333.457 2.757 10 10 EFCERO C[C@@H](F)CC[NH2+]C[C@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001571203561 1086675857 /nfs/dbraw/zinc/67/58/57/1086675857.db2.gz LKWIQRORIFWDKP-LALPHHSUSA-N 1 0 349.410 2.695 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C2=COCCC2)cc1C ZINC001571380748 1086773073 /nfs/dbraw/zinc/77/30/73/1086773073.db2.gz USAWPIRPNGTTOH-OAHLLOKOSA-N 1 0 332.444 2.634 10 10 EFCERO COc1cccc([C@H]2C[N@H+](Cc3ccc(N(C)C)cc3)CCN2)c1 ZINC001648109775 1089944686 /nfs/dbraw/zinc/94/46/86/1089944686.db2.gz LGGRFUHLMUEOLL-HXUWFJFHSA-N 1 0 325.456 2.908 10 10 EFCERO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCC[C@@H](C)[NH+](C)C ZINC001584196733 1092125695 /nfs/dbraw/zinc/12/56/95/1092125695.db2.gz YNUKBCDFUMIPFG-CQSZACIVSA-N 1 0 341.455 2.977 10 10 EFCERO CCc1c(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)ccn1C ZINC001266971942 1092220881 /nfs/dbraw/zinc/22/08/81/1092220881.db2.gz RHFYYORQBCSGEI-OAHLLOKOSA-N 1 0 343.471 2.813 10 10 EFCERO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C[C@H](C)SC)C2)cc1C ZINC001267008311 1092313825 /nfs/dbraw/zinc/31/38/25/1092313825.db2.gz JYSMMBXEZKVCRR-HOCLYGCPSA-N 1 0 336.501 2.836 10 10 EFCERO CCO[C@@H](CC)C(=O)N1CC[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001267033294 1092411974 /nfs/dbraw/zinc/41/19/74/1092411974.db2.gz SMMVISZWNAUBLY-MSOLQXFVSA-N 1 0 348.487 2.757 10 10 EFCERO O=C(Cc1ccc(O)c(O)c1)NCc1ccccc1C[NH+]1CCCC1 ZINC001587534856 1092819783 /nfs/dbraw/zinc/81/97/83/1092819783.db2.gz BJVBIVFMDYFYPS-UHFFFAOYSA-N 1 0 340.423 2.553 10 10 EFCERO COCCC(=O)N1CCC([C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001267167827 1093027411 /nfs/dbraw/zinc/02/74/11/1093027411.db2.gz WZNVKEIJSZPWTO-MRXNPFEDSA-N 1 0 348.487 2.757 10 10 EFCERO C[C@@H](Cc1cccs1)[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC001167609572 1093086349 /nfs/dbraw/zinc/08/63/49/1093086349.db2.gz WRHWZOKXVJUGME-HNNXBMFYSA-N 1 0 345.512 2.993 10 10 EFCERO CC(C)(C)C1=CC[N@H+](CCNC(=O)c2c(F)ccc(O)c2O)CC1 ZINC000828846876 1093276137 /nfs/dbraw/zinc/27/61/37/1093276137.db2.gz WRXIXUSBPYWUNM-UHFFFAOYSA-N 1 0 336.407 2.645 10 10 EFCERO CC[NH+](CC)Cc1ccc(C(=O)NCc2cc(O)ccc2O)cc1 ZINC001651225698 1093542701 /nfs/dbraw/zinc/54/27/01/1093542701.db2.gz UUJRJBFFOCOCFT-UHFFFAOYSA-N 1 0 328.412 2.870 10 10 EFCERO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1cc2c(cc1O)CCC2 ZINC000782914130 1094416355 /nfs/dbraw/zinc/41/63/55/1094416355.db2.gz PJEZZYKGXUIPAG-OAHLLOKOSA-N 1 0 330.472 2.566 10 10 EFCERO O=C(Cc1ccc(O)c(O)c1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC001595548619 1094476834 /nfs/dbraw/zinc/47/68/34/1094476834.db2.gz XVIBBGAJPMIYLH-UHFFFAOYSA-N 1 0 340.423 2.553 10 10 EFCERO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001597800146 1094626237 /nfs/dbraw/zinc/62/62/37/1094626237.db2.gz ICRRLUUCQUJURO-VQIMIIECSA-N 1 0 331.504 2.981 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCC2(F)F)cc1C ZINC001268068754 1095165603 /nfs/dbraw/zinc/16/56/03/1095165603.db2.gz NBAGHRPFVDMUST-HIFRSBDPSA-N 1 0 340.414 2.985 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)Cc2ccsc2)cc1C ZINC001481204697 1095417908 /nfs/dbraw/zinc/41/79/08/1095417908.db2.gz FMPCCLADAQURPQ-UHFFFAOYSA-N 1 0 332.469 2.856 10 10 EFCERO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)COC(C)C)C[C@H]2C)cc1C ZINC001268128756 1095436310 /nfs/dbraw/zinc/43/63/10/1095436310.db2.gz NGWXAMVKCLWXOI-SJLPKXTDSA-N 1 0 348.487 2.755 10 10 EFCERO COc1ccc(C[NH2+][C@H]2CCN(C(=O)COC(C)C)C[C@H]2C)cc1C ZINC001268128749 1095436790 /nfs/dbraw/zinc/43/67/90/1095436790.db2.gz NGWXAMVKCLWXOI-AEFFLSMTSA-N 1 0 348.487 2.755 10 10 EFCERO CCCOCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@H](C)C1 ZINC001268131845 1095452332 /nfs/dbraw/zinc/45/23/32/1095452332.db2.gz WMQWIYSKNAARCC-SJLPKXTDSA-N 1 0 348.487 2.757 10 10 EFCERO CCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001267716145 1095622304 /nfs/dbraw/zinc/62/23/04/1095622304.db2.gz HRANGOMEAPIRKE-HOTGVXAUSA-N 1 0 343.431 2.938 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)N2CCCC[C@H]2CC[NH2+]CCF)cc1 ZINC001268164894 1095676164 /nfs/dbraw/zinc/67/61/64/1095676164.db2.gz BQDCGQVTBDIVNH-HNNXBMFYSA-N 1 0 349.410 2.793 10 10 EFCERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2nc(C)c[nH]2)C(C)C)cc1C ZINC001268224504 1096128389 /nfs/dbraw/zinc/12/83/89/1096128389.db2.gz QLEYDBHXBUPKRM-INIZCTEOSA-N 1 0 344.459 2.579 10 10 EFCERO CC(C)[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CC1CCC1 ZINC001268226487 1096131356 /nfs/dbraw/zinc/13/13/56/1096131356.db2.gz AKNJMOYLEDGNGV-INIZCTEOSA-N 1 0 345.447 2.993 10 10 EFCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)c2cccnc2)cc1C ZINC001268340387 1096357839 /nfs/dbraw/zinc/35/78/39/1096357839.db2.gz RLTJHCZKIQWDQR-OAHLLOKOSA-N 1 0 327.428 2.697 10 10 EFCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)c2ccsn2)cc1C ZINC001268373250 1096421253 /nfs/dbraw/zinc/42/12/53/1096421253.db2.gz BEALYNRYGIGSFV-CYBMUJFWSA-N 1 0 333.457 2.758 10 10 EFCERO CC[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CC1CC(C)C1 ZINC001481881183 1096849839 /nfs/dbraw/zinc/84/98/39/1096849839.db2.gz FHUJDVMDPBISFH-PIMMBPRGSA-N 1 0 345.447 2.993 10 10 EFCERO CC[C@H](CNC(=O)C[C@@H]1CCCOC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001481877949 1096860265 /nfs/dbraw/zinc/86/02/65/1096860265.db2.gz FKTUBDLDEJTCIS-ZWKOTPCHSA-N 1 0 348.487 2.805 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)Cc2cscn2)cc1C ZINC001482150687 1097407360 /nfs/dbraw/zinc/40/73/60/1097407360.db2.gz VGKJHBZSCXBEJM-ZDUSSCGKSA-N 1 0 347.484 2.545 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)c2cccnc2)C2CC2)cc1C ZINC001269039034 1097803075 /nfs/dbraw/zinc/80/30/75/1097803075.db2.gz NUKRBMBRIRZJTB-GOSISDBHSA-N 1 0 339.439 2.697 10 10 EFCERO CC[C@@H](CNC(=O)c1[nH]c(C)nc1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001269470913 1098164746 /nfs/dbraw/zinc/16/47/46/1098164746.db2.gz BHDPTKMXXVVWER-INIZCTEOSA-N 1 0 344.459 2.642 10 10 EFCERO CC[C@@H](F)C[NH2+][C@@H](CC)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001269514748 1098202398 /nfs/dbraw/zinc/20/23/98/1098202398.db2.gz BBPMLCXQLVLPJR-OLZOCXBDSA-N 1 0 337.399 2.695 10 10 EFCERO COc1ccc(C[NH2+]C[C@@](C)(NC(=O)c2cocn2)C2CC2)cc1C ZINC001269605054 1098285465 /nfs/dbraw/zinc/28/54/65/1098285465.db2.gz FHJSRBKUQOJXRR-LJQANCHMSA-N 1 0 343.427 2.680 10 10 EFCERO CC(C)[NH2+]C[C@](C)(NC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001269651664 1098331382 /nfs/dbraw/zinc/33/13/82/1098331382.db2.gz KGEOWYMDRGKWRY-KRWDZBQOSA-N 1 0 331.420 2.746 10 10 EFCERO CCOCC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@H]1C ZINC001269907819 1098514012 /nfs/dbraw/zinc/51/40/12/1098514012.db2.gz TYHVMBJQOXLNJX-WBVHZDCISA-N 1 0 334.460 2.509 10 10 EFCERO CCc1nnc(N(C)Cc2ccccc2O)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001613923608 1099111702 /nfs/dbraw/zinc/11/17/02/1099111702.db2.gz XVYZGFLAPCZEKJ-AWEZNQCLSA-N 1 0 343.475 2.665 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)cc1C ZINC001268000055 1099123332 /nfs/dbraw/zinc/12/33/32/1099123332.db2.gz HTWLZWSUWPCURT-VIBAHUMZSA-N 1 0 330.472 2.892 10 10 EFCERO COc1ccc(C(=O)NC[C@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)o1 ZINC001270551637 1099203315 /nfs/dbraw/zinc/20/33/15/1099203315.db2.gz SXFZKUIUTUBTLJ-CYBMUJFWSA-N 1 0 346.427 2.761 10 10 EFCERO COC[C@H](C)C(=O)NC1(C[NH2+]Cc2ccc(OC)c(C)c2)CCCC1 ZINC001267833871 1099521161 /nfs/dbraw/zinc/52/11/61/1099521161.db2.gz OCMFKFMOLHIZSD-INIZCTEOSA-N 1 0 348.487 2.805 10 10 EFCERO CC[NH+](CC)[C@H](CNC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC001623796350 1099627636 /nfs/dbraw/zinc/62/76/36/1099627636.db2.gz TVWYZCBOLQOCLY-QGZVFWFLSA-N 1 0 342.439 2.840 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@]2(C)CCCOC2)cc1C ZINC001482346467 1099729592 /nfs/dbraw/zinc/72/95/92/1099729592.db2.gz BISPEICNHISEDH-UZLBHIALSA-N 1 0 348.487 2.757 10 10 EFCERO COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)cc1 ZINC001628469401 1100105595 /nfs/dbraw/zinc/10/55/95/1100105595.db2.gz ZEGLTYOWDRCYNC-MJGOQNOKSA-N 1 0 345.487 2.607 10 10 EFCERO COc1ccc(N(C)CCN(C)C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)cc1 ZINC001628469402 1100105636 /nfs/dbraw/zinc/10/56/36/1100105636.db2.gz ZEGLTYOWDRCYNC-PKOBYXMFSA-N 1 0 345.487 2.607 10 10 EFCERO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1 ZINC001636657685 1100731842 /nfs/dbraw/zinc/73/18/42/1100731842.db2.gz SMBNVGKODANQKJ-LJQANCHMSA-N 1 0 339.439 2.731 10 10 EFCERO CN(C)c1ccc([C@@H](CNC(=O)NC2(C3CC3)CCC2)[NH+](C)C)cc1 ZINC001638923644 1100899205 /nfs/dbraw/zinc/89/92/05/1100899205.db2.gz YXMQAJOEKXJWCL-GOSISDBHSA-N 1 0 344.503 2.987 10 10 EFCERO CCc1nnc(NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)nc1CC ZINC001640510867 1101055022 /nfs/dbraw/zinc/05/50/22/1101055022.db2.gz UMSRAGPSTSUSJD-SFHVURJKSA-N 1 0 342.491 2.777 10 10 EFCERO Cc1cc(C[NH2+]C2(C(=O)NCC3CC3)CCCC2)ccc1N(C)C ZINC001642129961 1101191789 /nfs/dbraw/zinc/19/17/89/1101191789.db2.gz QEWDXRGMXBYFOC-UHFFFAOYSA-N 1 0 329.488 2.990 10 10 EFCERO C[C@H]([NH2+]CCF)[C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001482481029 1101260445 /nfs/dbraw/zinc/26/04/45/1101260445.db2.gz IJLRPRYCLHVWGZ-JSGCOSHPSA-N 1 0 349.410 2.649 10 10 EFCERO COc1cc([N+](=O)[O-])c(N2CC[NH2+][C@H](c3ccccc3)C2)cc1OC ZINC001643213861 1101280815 /nfs/dbraw/zinc/28/08/15/1101280815.db2.gz OMXHWBLBCULEAE-AWEZNQCLSA-N 1 0 343.383 2.763 10 10 EFCERO CCc1ncnc(NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1F ZINC001643287390 1101287172 /nfs/dbraw/zinc/28/71/72/1101287172.db2.gz ZWCRRUBNVUJHAT-MRXNPFEDSA-N 1 0 331.439 2.959 10 10 EFCERO CCc1ncnc(NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1F ZINC001643287389 1101287473 /nfs/dbraw/zinc/28/74/73/1101287473.db2.gz ZWCRRUBNVUJHAT-INIZCTEOSA-N 1 0 331.439 2.959 10 10 EFCERO Cc1cc(CNC(=O)[C@H]2CC[N@@H+](C)C2)c(C)n1-c1cccc(C)c1 ZINC001643366906 1101292906 /nfs/dbraw/zinc/29/29/06/1101292906.db2.gz VTSXDKIZWMTNRV-KRWDZBQOSA-N 1 0 325.456 2.970 10 10 EFCERO CC1(C)CN(C(=O)C[N@H+](Cc2ccccc2O)C2CCCC2)CCO1 ZINC001652465105 1101493627 /nfs/dbraw/zinc/49/36/27/1101493627.db2.gz ZICGDYWZXLMAPZ-UHFFFAOYSA-N 1 0 346.471 2.774 10 10 EFCERO c1cn(-c2ccc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)cc2)cn1 ZINC000067222185 1101502253 /nfs/dbraw/zinc/50/22/53/1101502253.db2.gz DZPMEHVSXLJXGY-UHFFFAOYSA-N 1 0 348.450 2.999 10 10 EFCERO CO[C@]1(C)C[C@H]([N@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)C1(C)C ZINC001652571263 1101514082 /nfs/dbraw/zinc/51/40/82/1101514082.db2.gz ILBOAXDVDBIDIP-FXAWDEMLSA-N 1 0 347.503 2.504 10 10 EFCERO CC[C@@H](CCO)[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848529720 1101515387 /nfs/dbraw/zinc/51/53/87/1101515387.db2.gz WXPQWTQJYMAYLK-ONGXEEELSA-N 1 0 332.238 2.975 10 10 EFCERO C[NH+](C)Cc1ccc(C(=O)NCc2c(O)ccc3ccccc32)cn1 ZINC001652709064 1101533227 /nfs/dbraw/zinc/53/32/27/1101533227.db2.gz UJHDMMLHISSIJQ-UHFFFAOYSA-N 1 0 335.407 2.932 10 10 EFCERO CC(C)[N@H+](CC(=O)N1CCOC(C)(C)C1)Cc1ccc(N(C)C)cc1 ZINC001653191408 1101594466 /nfs/dbraw/zinc/59/44/66/1101594466.db2.gz XYVRVMQFHGPKGH-UHFFFAOYSA-N 1 0 347.503 2.600 10 10 EFCERO C[C@@H](CN1CCOCC1)C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC001653190072 1101594587 /nfs/dbraw/zinc/59/45/87/1101594587.db2.gz DIQPOMWREDIDQE-KRWDZBQOSA-N 1 0 331.504 2.685 10 10 EFCERO COc1ccc(C[NH2+]C2(C(=O)N3CCOCC3)CCCCC2)cc1C ZINC001655082616 1101783994 /nfs/dbraw/zinc/78/39/94/1101783994.db2.gz MWJRNWFINROLCU-UHFFFAOYSA-N 1 0 346.471 2.655 10 10 EFCERO COc1ccc(N2CC[NH+](C[C@H]3CC(C)(C)CO3)CC2)c(OC)c1 ZINC001655378963 1101820213 /nfs/dbraw/zinc/82/02/13/1101820213.db2.gz VFVMOHSVDUHZRV-MRXNPFEDSA-N 1 0 334.460 2.641 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H](C)SC)C2)cc1C ZINC001656185078 1101990677 /nfs/dbraw/zinc/99/06/77/1101990677.db2.gz OIMXZSNVTNFSOB-BPUTZDHNSA-N 1 0 336.501 2.740 10 10 EFCERO CCOCCC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001271470195 1101995087 /nfs/dbraw/zinc/99/50/87/1101995087.db2.gz GEMYLRUDOZZVMB-FUHWJXTLSA-N 1 0 348.487 2.757 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)NC[C@H]2C[C@H]([NH2+]C/C=C\Cl)C2)cc1 ZINC001656240848 1102014577 /nfs/dbraw/zinc/01/45/77/1102014577.db2.gz HVEYEKHXIGWOAB-OCFSHSJVSA-N 1 0 349.822 2.700 10 10 EFCERO C[C@@H]([NH2+]CCCF)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001271562753 1102119249 /nfs/dbraw/zinc/11/92/49/1102119249.db2.gz UZUZYFOPYSUAMP-OCCSQVGLSA-N 1 0 349.410 2.649 10 10 EFCERO C[N@H+](CCF)C[C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001266475520 1102222651 /nfs/dbraw/zinc/22/26/51/1102222651.db2.gz HCNCYMNZWNFDLG-CYBMUJFWSA-N 1 0 349.410 2.603 10 10 EFCERO CCC[NH2+]C[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1C ZINC001271720726 1102314171 /nfs/dbraw/zinc/31/41/71/1102314171.db2.gz FWHUBDXOLYZSIU-JSGCOSHPSA-N 1 0 331.420 2.557 10 10 EFCERO CC(C)C[NH2+]C[C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001266825400 1102369712 /nfs/dbraw/zinc/36/97/12/1102369712.db2.gz DVHDQZQZMLZXBT-CQSZACIVSA-N 1 0 345.447 2.947 10 10 EFCERO Cc1cc(O)c(C[NH2+]CC2(CS(C)(=O)=O)CCC2)c(Cl)c1 ZINC000840975130 1102639803 /nfs/dbraw/zinc/63/98/03/1102639803.db2.gz LHGOZNSFNMHZKU-UHFFFAOYSA-N 1 0 331.865 2.659 10 10 EFCERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2ccn(C)c2)C(C)C)cc1C ZINC001482525177 1102660849 /nfs/dbraw/zinc/66/08/49/1102660849.db2.gz NMWHCAPOURUKCF-SFHVURJKSA-N 1 0 343.471 2.886 10 10 EFCERO C[C@H](F)CC[N@H+](C)CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001660414291 1102750591 /nfs/dbraw/zinc/75/05/91/1102750591.db2.gz UPSHDGLJUQCGKZ-LBPRGKRZSA-N 1 0 337.399 2.649 10 10 EFCERO COc1csc(C(=O)NC[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)c1 ZINC001266961661 1102793271 /nfs/dbraw/zinc/79/32/71/1102793271.db2.gz VXHKYZULKRLSKV-ZDUSSCGKSA-N 1 0 348.468 2.982 10 10 EFCERO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CCOC(C)C)C2)cc1C ZINC001661287813 1103221286 /nfs/dbraw/zinc/22/12/86/1103221286.db2.gz AUFAIQKCEDBAHF-KRWDZBQOSA-N 1 0 334.460 2.509 10 10 EFCERO C[C@]1(C2CC[NH+](Cc3c(O)ccc4ccncc43)CC2)COC(=O)N1 ZINC000905706352 1103517072 /nfs/dbraw/zinc/51/70/72/1103517072.db2.gz MLSCZDZWHSOJOW-LJQANCHMSA-N 1 0 341.411 2.651 10 10 EFCERO C[C@@]1([C@@H]2CCC[N@H+](Cc3cc4c(cc3O)CCC4)C2)COC(=O)N1 ZINC000905708243 1103519033 /nfs/dbraw/zinc/51/90/33/1103519033.db2.gz ORFHUOPPFSVPMX-APWZRJJASA-N 1 0 330.428 2.591 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)Cc2ccsc2)cc1C ZINC001662155758 1103603811 /nfs/dbraw/zinc/60/38/11/1103603811.db2.gz CTWIODUROQAOAX-CQSZACIVSA-N 1 0 332.469 2.902 10 10 EFCERO CCCc1n[nH]cc1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001662268101 1103641868 /nfs/dbraw/zinc/64/18/68/1103641868.db2.gz CGFOFZQVJXGXPN-CQSZACIVSA-N 1 0 344.459 2.587 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](NC(=O)[C@H](C)SC)C2CC2)cc1C ZINC001483545260 1103919496 /nfs/dbraw/zinc/91/94/96/1103919496.db2.gz NLFORNHITKNXQX-BBRMVZONSA-N 1 0 336.501 2.740 10 10 EFCERO C[C@@H]([NH3+])c1ccc(CNC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000841653175 1104318684 /nfs/dbraw/zinc/31/86/84/1104318684.db2.gz HRPLCXZLNYVALP-CQSZACIVSA-N 1 0 326.444 2.772 10 10 EFCERO COc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)C[C@H](C)OC)CC2)cc1C ZINC001666274909 1104916635 /nfs/dbraw/zinc/91/66/35/1104916635.db2.gz LJFYDZDIWBBFAW-SZMVWBNQSA-N 1 0 348.487 2.946 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2ccncc2)cc1C ZINC001666505630 1104953779 /nfs/dbraw/zinc/95/37/79/1104953779.db2.gz PNIOULDAHUGMMK-AWEZNQCLSA-N 1 0 327.428 2.554 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2c[nH]cc2C)cc1C ZINC001666662314 1104976992 /nfs/dbraw/zinc/97/69/92/1104976992.db2.gz OTGMSOCNFRXOAM-CYBMUJFWSA-N 1 0 329.444 2.796 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)COC(C)(C)C)cc1C ZINC001666886484 1105014015 /nfs/dbraw/zinc/01/40/15/1105014015.db2.gz AUSRQOVXWAIOOY-HNNXBMFYSA-N 1 0 336.476 2.755 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]2CCCO2)cc1C ZINC001667075925 1105046974 /nfs/dbraw/zinc/04/69/74/1105046974.db2.gz JVEXREGHFAQXST-MJGOQNOKSA-N 1 0 348.487 2.803 10 10 EFCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)c2[nH]ccc2C)cc1C ZINC001482827833 1105060092 /nfs/dbraw/zinc/06/00/92/1105060092.db2.gz OIBMZDQZWFKWRX-HNNXBMFYSA-N 1 0 329.444 2.938 10 10 EFCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@@]2(C)CCCOC2)cc1C ZINC001482884070 1105131959 /nfs/dbraw/zinc/13/19/59/1105131959.db2.gz UNUVBVXSZVPSOI-JXFKEZNVSA-N 1 0 348.487 2.805 10 10 EFCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@@]2(C)CCCOC2)cc1C ZINC001482884078 1105132012 /nfs/dbraw/zinc/13/20/12/1105132012.db2.gz UNUVBVXSZVPSOI-UZLBHIALSA-N 1 0 348.487 2.805 10 10 EFCERO COc1ccc(C[NH2+][C@@H](CNC(=O)[C@H]2CC2(F)F)C(C)C)cc1C ZINC001667452882 1105149329 /nfs/dbraw/zinc/14/93/29/1105149329.db2.gz OCSNQSMKGOEDMY-CABCVRRESA-N 1 0 340.414 2.889 10 10 EFCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)c1ccc(F)nc1 ZINC001482914822 1105176619 /nfs/dbraw/zinc/17/66/19/1105176619.db2.gz UXHYTUFGDSBPNC-UHFFFAOYSA-N 1 0 345.418 2.790 10 10 EFCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@H]1CCC1(F)F ZINC001482932767 1105197986 /nfs/dbraw/zinc/19/79/86/1105197986.db2.gz OBGKQGIUYVJQAJ-OAHLLOKOSA-N 1 0 340.414 2.987 10 10 EFCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)CC2CCOCC2)cc1C ZINC001668004006 1105218569 /nfs/dbraw/zinc/21/85/69/1105218569.db2.gz BELLUFPMQNULLD-INIZCTEOSA-N 1 0 348.487 2.805 10 10 EFCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001482954678 1105239150 /nfs/dbraw/zinc/23/91/50/1105239150.db2.gz LTZXHKICTFBVOD-ZWKOTPCHSA-N 1 0 330.472 2.988 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2cccc(C)n2)cc1C ZINC001669511305 1105491338 /nfs/dbraw/zinc/49/13/38/1105491338.db2.gz OYTYHPVGNXPIPM-HNNXBMFYSA-N 1 0 327.428 2.615 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)Cc2occc2C)cc1C ZINC001669662293 1105506674 /nfs/dbraw/zinc/50/66/74/1105506674.db2.gz SFKLFDSIULEZNK-HNNXBMFYSA-N 1 0 330.428 2.742 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H](C)c2cccnc2)cc1C ZINC001669716411 1105510951 /nfs/dbraw/zinc/51/09/51/1105510951.db2.gz XJCAZEYGODWZAQ-HOTGVXAUSA-N 1 0 341.455 2.797 10 10 EFCERO CC[C@@H]1CC[C@@H](C(=O)NC/C=C/C[NH2+]Cc2ccc(OC)c(C)c2)O1 ZINC001483015176 1105556184 /nfs/dbraw/zinc/55/61/84/1105556184.db2.gz FYMRXZAKUNOOLL-UCHJRYNZSA-N 1 0 346.471 2.723 10 10 EFCERO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCC2(F)F)cc1C ZINC001670137959 1105585884 /nfs/dbraw/zinc/58/58/84/1105585884.db2.gz CIFUHQXOAIXXIP-HNNXBMFYSA-N 1 0 340.414 2.987 10 10 EFCERO CC(C)C[NH2+][C@H](C)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001672246817 1105785226 /nfs/dbraw/zinc/78/52/26/1105785226.db2.gz OBMXGGCGBWMRJV-HIFRSBDPSA-N 1 0 345.447 2.945 10 10 EFCERO CCCCN(Cc1ccccc1O)C(=O)C1C[NH+](C2CCOCC2)C1 ZINC000897683129 1106047204 /nfs/dbraw/zinc/04/72/04/1106047204.db2.gz JENGASKFCWNIKP-UHFFFAOYSA-N 1 0 346.471 2.632 10 10 EFCERO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000841984141 1106091206 /nfs/dbraw/zinc/09/12/06/1106091206.db2.gz CFLCKRVTOUVJAX-YJBOKZPZSA-N 1 0 332.492 2.671 10 10 EFCERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000841985766 1106094914 /nfs/dbraw/zinc/09/49/14/1106094914.db2.gz BOMLTHJIZGCQTQ-WMLDXEAASA-N 1 0 343.427 2.695 10 10 EFCERO CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000841988125 1106117918 /nfs/dbraw/zinc/11/79/18/1106117918.db2.gz KCYVEWGQFSBXGH-YJBOKZPZSA-N 1 0 332.492 2.672 10 10 EFCERO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000897939945 1106160988 /nfs/dbraw/zinc/16/09/88/1106160988.db2.gz VUHCCOOSVFQBNM-LBPRGKRZSA-N 1 0 334.441 2.867 10 10 EFCERO CCc1cc(C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)[nH]n1 ZINC001674633417 1106225285 /nfs/dbraw/zinc/22/52/85/1106225285.db2.gz LCWAENQABIGWCK-ZIAGYGMSSA-N 1 0 344.459 2.586 10 10 EFCERO CCc1cc(C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)[nH]n1 ZINC001674633414 1106225296 /nfs/dbraw/zinc/22/52/96/1106225296.db2.gz LCWAENQABIGWCK-KBPBESRZSA-N 1 0 344.459 2.586 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)Cc2cscn2)cc1C ZINC001674735355 1106247685 /nfs/dbraw/zinc/24/76/85/1106247685.db2.gz PKPMETFGOCXNMP-KBPBESRZSA-N 1 0 347.484 2.686 10 10 EFCERO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000925328816 1107415866 /nfs/dbraw/zinc/41/58/66/1107415866.db2.gz LEMFFWNAJOUYBN-QAPCUYQASA-N 1 0 332.492 2.765 10 10 EFCERO CC[C@@H]([NH2+]CC[C@H]1CNC(=O)C1)c1ccc(C(F)(F)F)cc1O ZINC000926981976 1108421572 /nfs/dbraw/zinc/42/15/72/1108421572.db2.gz ZFLVGXBSIJZCGT-ZWNOBZJWSA-N 1 0 330.350 2.978 10 10 EFCERO C[N@@H+]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1C(C)(C)C ZINC000898385069 1108909378 /nfs/dbraw/zinc/90/93/78/1108909378.db2.gz XILUQEFHOVSADK-CQSZACIVSA-N 1 0 331.420 2.651 10 10 EFCERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000898579115 1109018707 /nfs/dbraw/zinc/01/87/07/1109018707.db2.gz NPDDORLVLTYFKL-NSHDSACASA-N 1 0 334.441 2.915 10 10 EFCERO COc1ccc([C@H]([NH2+]C(C)C)C(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000899174838 1109235621 /nfs/dbraw/zinc/23/56/21/1109235621.db2.gz ZZLMBOCUVMKWGK-IBGZPJMESA-N 1 0 340.423 2.982 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2ccccc2OC)cc1C ZINC001483187779 1109982090 /nfs/dbraw/zinc/98/20/90/1109982090.db2.gz JNZPXWWBFHZOQB-OAHLLOKOSA-N 1 0 342.439 2.920 10 10 EFCERO COC(=O)c1cc2ccccc2c(C[N@@H+]2C[C@H](C)OC[C@H]2C)c1O ZINC000914570496 1111263311 /nfs/dbraw/zinc/26/33/11/1111263311.db2.gz BQJWKXHCAFPYNU-OLZOCXBDSA-N 1 0 329.396 2.941 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@H]3CCO[C@@H](C)C3)CC2)cc1C ZINC001483778715 1112437786 /nfs/dbraw/zinc/43/77/86/1112437786.db2.gz LRZCUCWCQFNDMU-RDJZCZTQSA-N 1 0 346.471 2.557 10 10 EFCERO C/C=C(\C)C(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CCOCC1 ZINC001484180977 1112885450 /nfs/dbraw/zinc/88/54/50/1112885450.db2.gz RBQVKSVWTCVQKG-PJQLUOCWSA-N 1 0 346.471 2.725 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2ccn(C)c2C)cc1C ZINC001485190467 1118130782 /nfs/dbraw/zinc/13/07/82/1118130782.db2.gz POCNKYLJKXZGSO-GJZGRUSLSA-N 1 0 343.471 2.947 10 10 EFCERO Cc1cc2n(n1)C[C@@H](C[NH2+]Cc1ccc(N3CCCC3)cc1)CN2 ZINC000058314809 214543019 /nfs/dbraw/zinc/54/30/19/214543019.db2.gz MHBURQYEQKZGLP-KRWDZBQOSA-N 1 0 325.460 2.623 10 10 EFCERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(N(C)CC)cc1)CC2 ZINC000180629980 529751623 /nfs/dbraw/zinc/75/16/23/529751623.db2.gz UNXFUGRMYNQHAO-GDBMZVCRSA-N 1 0 327.476 2.962 10 10 EFCERO CN1CCc2cc(C[NH2+]C[C@H]3CC(=O)N(Cc4ccccc4)C3)ccc21 ZINC000179049967 529812569 /nfs/dbraw/zinc/81/25/69/529812569.db2.gz MIQXHCYLUBTXAW-LJQANCHMSA-N 1 0 349.478 2.817 10 10 EFCERO C[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1ccc(N(C)C)cc1 ZINC000166503402 239123507 /nfs/dbraw/zinc/12/35/07/239123507.db2.gz AIFMUGNWGSRHBB-RDJZCZTQSA-N 1 0 327.476 2.806 10 10 EFCERO C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@H]12)c1ccc(N2CCOCC2)c(F)c1 ZINC000251913427 240306223 /nfs/dbraw/zinc/30/62/23/240306223.db2.gz RWKFHHPICPTQJX-KOJWFEOWSA-N 1 0 334.435 2.880 10 10 EFCERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000246792824 240272388 /nfs/dbraw/zinc/27/23/88/240272388.db2.gz CTDMEIYDTVOMDV-QFBILLFUSA-N 1 0 342.487 2.591 10 10 EFCERO Oc1ccc(Br)cc1C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000247217535 240278641 /nfs/dbraw/zinc/27/86/41/240278641.db2.gz VUDVMLNADFPHMY-OCCSQVGLSA-N 1 0 344.274 2.861 10 10 EFCERO CN(C)c1ccc(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1F ZINC000247355058 240279959 /nfs/dbraw/zinc/27/99/59/240279959.db2.gz YIZWWKITFNBGJH-NVXWUHKLSA-N 1 0 348.466 2.517 10 10 EFCERO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c(O)c1O ZINC000248415191 240289892 /nfs/dbraw/zinc/28/98/92/240289892.db2.gz NUCNHRZYXACVJQ-CVEARBPZSA-N 1 0 326.396 2.581 10 10 EFCERO Cc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H](O)CN2Cc2ccccc2)c(O)c1 ZINC000248515198 240291192 /nfs/dbraw/zinc/29/11/92/240291192.db2.gz NYJBKVOHPLOXTO-QXAKKESOSA-N 1 0 340.467 2.987 10 10 EFCERO COC(=O)CC1([NH2+]Cc2cc(Cl)cc(C)c2O)CCOCC1 ZINC000271949102 240644479 /nfs/dbraw/zinc/64/44/79/240644479.db2.gz AYTAFRNQRXXOEC-UHFFFAOYSA-N 1 0 327.808 2.556 10 10 EFCERO Oc1cccc2c1[C@@H]([NH2+]Cc1cnc(N3CCOCC3)c(F)c1)CC2 ZINC000296413414 241085945 /nfs/dbraw/zinc/08/59/45/241085945.db2.gz LAGGOPNGEJGKET-INIZCTEOSA-N 1 0 343.402 2.540 10 10 EFCERO CN(C)c1ccc(CNC(=O)NC2CC[NH+](C3CCC3)CC2)cc1F ZINC000296610629 241091881 /nfs/dbraw/zinc/09/18/81/241091881.db2.gz BJNRARCRSXRZFK-UHFFFAOYSA-N 1 0 348.466 2.708 10 10 EFCERO COC(C)(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000363717646 242282165 /nfs/dbraw/zinc/28/21/65/242282165.db2.gz HTOATPSMFLZMSB-CQSZACIVSA-N 1 0 340.851 2.551 10 10 EFCERO CCOc1ccc(O)c(C[NH+]2CCC(c3nnc4n3CCC4)CC2)c1 ZINC000362355744 242251603 /nfs/dbraw/zinc/25/16/03/242251603.db2.gz YXEXSCWGGFDOPU-UHFFFAOYSA-N 1 0 342.443 2.708 10 10 EFCERO Cc1cc(Cl)cc(CN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1O ZINC000367730141 242390752 /nfs/dbraw/zinc/39/07/52/242390752.db2.gz WXRHAUIBUCHZLH-KRWDZBQOSA-N 1 0 337.895 2.566 10 10 EFCERO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cn1cnc2ccccc21 ZINC000012534408 258054521 /nfs/dbraw/zinc/05/45/21/258054521.db2.gz FXNKDLCXXPFOIJ-UHFFFAOYSA-N 1 0 336.439 2.962 10 10 EFCERO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](c3ccnc(N)n3)C2)c1O ZINC000377730361 274095437 /nfs/dbraw/zinc/09/54/37/274095437.db2.gz ZBBXUTFTOHHZTO-NSHDSACASA-N 1 0 348.834 2.636 10 10 EFCERO COc1cc(Cl)cc(C[NH2+]C[C@H]2c3ccccc3C(=O)N2C)c1O ZINC000529667847 316941209 /nfs/dbraw/zinc/94/12/09/316941209.db2.gz AOYOKYGZELRABR-HNNXBMFYSA-N 1 0 346.814 2.971 10 10 EFCERO C[C@H]([NH2+]CCCN1CCCC1=O)c1cc(Br)ccc1O ZINC000095469443 473210759 /nfs/dbraw/zinc/21/07/59/473210759.db2.gz SQIBCYYXABPDJP-NSHDSACASA-N 1 0 341.249 2.818 10 10 EFCERO C[C@@H]([NH2+]CCCN1CCCC1=O)c1cc(Br)ccc1O ZINC000095469444 473210842 /nfs/dbraw/zinc/21/08/42/473210842.db2.gz SQIBCYYXABPDJP-LLVKDONJSA-N 1 0 341.249 2.818 10 10 EFCERO C[C@@H]([NH2+]C[C@H](O)CN1CCc2ccccc2C1)c1cc(F)ccc1O ZINC000184992428 473294593 /nfs/dbraw/zinc/29/45/93/473294593.db2.gz HBVGQGUEKZVTIW-KDOFPFPSSA-N 1 0 344.430 2.601 10 10 EFCERO CN(Cc1cccnc1)C[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000190489893 473294383 /nfs/dbraw/zinc/29/43/83/473294383.db2.gz FOZDZRDERVFGPG-MRXNPFEDSA-N 1 0 329.419 2.880 10 10 EFCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2C[C@@H]3C[C@@H]3C2)C1 ZINC000628515668 479927536 /nfs/dbraw/zinc/92/75/36/479927536.db2.gz MHSSDQZUOAINOP-IYBDPMFKSA-N 1 0 337.467 2.886 10 10 EFCERO CN(C)c1ccc([C@H]2[NH2+]C[C@H](COc3ccc([N+](=O)[O-])cc3)O2)cc1 ZINC000034803469 471991877 /nfs/dbraw/zinc/99/18/77/471991877.db2.gz WRASVXYMXMWGQJ-MSOLQXFVSA-N 1 0 343.383 2.727 10 10 EFCERO CN(C)c1ccc([C@@H]2[NH2+]C[C@H](COc3ccc([N+](=O)[O-])cc3)O2)cc1 ZINC000034803466 471992036 /nfs/dbraw/zinc/99/20/36/471992036.db2.gz WRASVXYMXMWGQJ-QZTJIDSGSA-N 1 0 343.383 2.727 10 10 EFCERO CN(C)c1ccc(CNC(=O)[C@@H]2CCCN(c3cc[nH+]cc3)C2)cc1 ZINC000021707304 472002924 /nfs/dbraw/zinc/00/29/24/472002924.db2.gz BRGKFQAZQDURMO-QGZVFWFLSA-N 1 0 338.455 2.680 10 10 EFCERO C[C@@H](c1ccncc1)[N@H+](C)Cc1cc(=O)oc2cc(O)c(O)cc12 ZINC000097135223 472458081 /nfs/dbraw/zinc/45/80/81/472458081.db2.gz VCWOOPXJLOOHLT-NSHDSACASA-N 1 0 326.352 2.792 10 10 EFCERO COC(=O)/C=C/c1ccc(N2CCC([NH2+]C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000057838257 472482134 /nfs/dbraw/zinc/48/21/34/472482134.db2.gz ZTUYWOAKIRHXTM-FNORWQNLSA-N 1 0 347.415 2.748 10 10 EFCERO CCOc1ccc(O)c(C[NH2+][C@H](CS(C)(=O)=O)c2ccccc2)c1 ZINC000154995704 472494394 /nfs/dbraw/zinc/49/43/94/472494394.db2.gz ASEWJHHYDSDJOP-QGZVFWFLSA-N 1 0 349.452 2.666 10 10 EFCERO COc1ccc(O)c(C[NH2+][C@@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)c1 ZINC000089726379 472494493 /nfs/dbraw/zinc/49/44/93/472494493.db2.gz FVPSBGJJEZEFQJ-KBXCAEBGSA-N 1 0 340.423 2.680 10 10 EFCERO CSCC[C@H](C)[N@H+](C)CC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000072290434 472651542 /nfs/dbraw/zinc/65/15/42/472651542.db2.gz VCXJLKFELYZESA-INIZCTEOSA-N 1 0 349.544 2.976 10 10 EFCERO CC[C@H]([NH2+]C[C@@H]1CCCN1c1cc(NC)ncn1)c1ccccc1O ZINC000156501621 472716234 /nfs/dbraw/zinc/71/62/34/472716234.db2.gz YISOLRWGJJBUHH-HOCLYGCPSA-N 1 0 341.459 2.934 10 10 EFCERO COc1cccc(C[N@H+](C)Cc2cn(C)nc2C(F)(F)F)c1O ZINC000092069080 472849840 /nfs/dbraw/zinc/84/98/40/472849840.db2.gz ZIAZLLGTOVTNKX-UHFFFAOYSA-N 1 0 329.322 2.785 10 10 EFCERO CSCCC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134269763 472891786 /nfs/dbraw/zinc/89/17/86/472891786.db2.gz QMTBVMAFIKKFMG-AWEZNQCLSA-N 1 0 342.892 2.879 10 10 EFCERO COc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c(OC)c1 ZINC000048776715 472909638 /nfs/dbraw/zinc/90/96/38/472909638.db2.gz ITRJKRUCSFJGQL-UHFFFAOYSA-N 1 0 342.439 2.830 10 10 EFCERO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](Cc3ccc(N(C)C)cc3)C2)n1 ZINC000121908565 472942827 /nfs/dbraw/zinc/94/28/27/472942827.db2.gz NMQQKBDWTQMLAI-GOSISDBHSA-N 1 0 327.476 2.873 10 10 EFCERO CC[NH+]1CCN(c2ccc(CNC(=O)N(C)C3CCC3)cc2F)CC1 ZINC000074134316 472949566 /nfs/dbraw/zinc/94/95/66/472949566.db2.gz WJIUGFSWZUPQSA-UHFFFAOYSA-N 1 0 348.466 2.662 10 10 EFCERO CN(C)c1ccc(CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000107723630 472978877 /nfs/dbraw/zinc/97/88/77/472978877.db2.gz WOTOWOWLKJGQIP-LJQANCHMSA-N 1 0 344.503 2.913 10 10 EFCERO Cc1ccc(N2CCC[N@H+](Cc3cc(C)c(C)cc3O)CC2)nn1 ZINC000093271756 473069807 /nfs/dbraw/zinc/06/98/07/473069807.db2.gz LUAJEMHPZSDKIW-UHFFFAOYSA-N 1 0 326.444 2.820 10 10 EFCERO CCN(CC)c1ccc(CNC(=O)N2CC[C@H]([NH+](C)C)C2)cc1F ZINC000109033530 473075298 /nfs/dbraw/zinc/07/52/98/473075298.db2.gz CEABBAPPGGLAIW-HNNXBMFYSA-N 1 0 336.455 2.517 10 10 EFCERO Cc1cnn(CC[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000123843250 473192135 /nfs/dbraw/zinc/19/21/35/473192135.db2.gz ZDNOVBGXBQEBEA-OAHLLOKOSA-N 1 0 332.423 2.518 10 10 EFCERO [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000190788246 473392812 /nfs/dbraw/zinc/39/28/12/473392812.db2.gz ZRTFORUVPKVKEX-LLVKDONJSA-N 1 0 336.798 2.733 10 10 EFCERO C[C@H]([NH2+]CCCN1CCOC1=O)c1ccc(Br)cc1O ZINC000185332941 473397057 /nfs/dbraw/zinc/39/70/57/473397057.db2.gz JDQXCGRBOOYVRH-JTQLQIEISA-N 1 0 343.221 2.648 10 10 EFCERO COc1cc(O)c(C[N@@H+]2CCCN(c3ccccn3)CC2)cc1OC ZINC000185694065 473491081 /nfs/dbraw/zinc/49/10/81/473491081.db2.gz AJMSWLHRERCERB-UHFFFAOYSA-N 1 0 343.427 2.517 10 10 EFCERO CC(C)Oc1ccc(N(C)C[C@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000191596781 473558946 /nfs/dbraw/zinc/55/89/46/473558946.db2.gz QYVJWJMQAGJPNE-OAHLLOKOSA-N 1 0 340.489 2.582 10 10 EFCERO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCc3nc(C(C)C)nn3C2)c1 ZINC000185996743 473567173 /nfs/dbraw/zinc/56/71/73/473567173.db2.gz QVEDYMTXGZTKNG-STQMWFEESA-N 1 0 330.432 2.781 10 10 EFCERO Cc1noc([C@@H](C)N2CC[NH+](Cc3cc(C)c(C)cc3O)CC2)n1 ZINC000152633159 473584020 /nfs/dbraw/zinc/58/40/20/473584020.db2.gz HMJXIVWVZDBRTJ-CQSZACIVSA-N 1 0 330.432 2.579 10 10 EFCERO CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc3c(cc2O)CCCC3)C1 ZINC000186110081 473593231 /nfs/dbraw/zinc/59/32/31/473593231.db2.gz GUEPHLZWTXWGPB-CZUORRHYSA-N 1 0 331.460 2.725 10 10 EFCERO Cc1cc(C)n(C[C@@H]2C[N@H+](Cc3cc(C)c(C)cc3O)CCO2)n1 ZINC000152859942 473596809 /nfs/dbraw/zinc/59/68/09/473596809.db2.gz VLXBXMWBWUYOKH-SFHVURJKSA-N 1 0 329.444 2.723 10 10 EFCERO CCc1nn(C)c(Cl)c1CN1CC[NH+](Cc2ccccc2O)CC1 ZINC000179572329 473695967 /nfs/dbraw/zinc/69/59/67/473695967.db2.gz GZNYVNFOANLMEC-UHFFFAOYSA-N 1 0 348.878 2.659 10 10 EFCERO CCOc1ccc(O)c(C[NH2+][C@]2(CO)CCOc3ccccc32)c1 ZINC000281513948 473747495 /nfs/dbraw/zinc/74/74/95/473747495.db2.gz AGQXDPOUOVVLLH-IBGZPJMESA-N 1 0 329.396 2.551 10 10 EFCERO Oc1ccc(F)cc1C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000179890056 473749564 /nfs/dbraw/zinc/74/95/64/473749564.db2.gz YBRAKPGMSHPXPU-UHFFFAOYSA-N 1 0 326.375 2.954 10 10 EFCERO COc1ccc(O)c(C[N@@H+]2CCCN(Cc3cscn3)CC2)c1 ZINC000180031078 473782021 /nfs/dbraw/zinc/78/20/21/473782021.db2.gz BEWYCAVORVLIRL-UHFFFAOYSA-N 1 0 333.457 2.565 10 10 EFCERO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2)c1O ZINC000187228465 473841328 /nfs/dbraw/zinc/84/13/28/473841328.db2.gz XFQAXBUCHCAXGC-ZYHUDNBSSA-N 1 0 341.249 2.735 10 10 EFCERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(N(C)CC)cc1)CC2 ZINC000180629947 473923608 /nfs/dbraw/zinc/92/36/08/473923608.db2.gz UNXFUGRMYNQHAO-GOEBONIOSA-N 1 0 327.476 2.962 10 10 EFCERO C[C@H]([NH2+]Cc1cccc(N2CCOCC2)n1)c1ccc(N(C)C)cc1 ZINC000274793878 473962914 /nfs/dbraw/zinc/96/29/14/473962914.db2.gz OXVJSIRIAWEDCX-INIZCTEOSA-N 1 0 340.471 2.835 10 10 EFCERO CN(C)c1ccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)cc1F ZINC000282616324 474131704 /nfs/dbraw/zinc/13/17/04/474131704.db2.gz FDWYMYOCEPBRMJ-MAUKXSAKSA-N 1 0 336.451 2.549 10 10 EFCERO COc1cc(O)c(C[NH2+][C@@H]2CCCc3[nH]c(=O)ccc32)cc1OC ZINC000289668776 474371405 /nfs/dbraw/zinc/37/14/05/474371405.db2.gz DJDBJIMOGJPAKE-CYBMUJFWSA-N 1 0 330.384 2.677 10 10 EFCERO CN(C)c1ccc(CN(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000266630298 474437541 /nfs/dbraw/zinc/43/75/41/474437541.db2.gz WSDHVLPOTYJKJX-JLYLLQBASA-N 1 0 344.503 2.909 10 10 EFCERO Cc1cc(O)c(C[NH+]2CCN(c3cc(C4CC4)[nH]n3)CC2)cc1C ZINC000189909156 474503852 /nfs/dbraw/zinc/50/38/52/474503852.db2.gz FZYKHMMHPRTKAN-UHFFFAOYSA-N 1 0 326.444 2.932 10 10 EFCERO COc1cc(O)c(C[NH2+][C@@H]2COc3ccc(F)cc3C2)cc1OC ZINC000290067308 474546304 /nfs/dbraw/zinc/54/63/04/474546304.db2.gz FOYPGVJBVBEEKL-AWEZNQCLSA-N 1 0 333.359 2.642 10 10 EFCERO Cc1cc(Cl)cc(C[NH2+]CCCN2CCCO[C@H](C)C2)c1O ZINC000277361949 474582483 /nfs/dbraw/zinc/58/24/83/474582483.db2.gz FGSDFLUBTWKJND-CQSZACIVSA-N 1 0 326.868 2.945 10 10 EFCERO Cc1cc(C[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)ccc1N(C)C ZINC000271623396 474583924 /nfs/dbraw/zinc/58/39/24/474583924.db2.gz BVQMAWAUCKEMJG-AWEZNQCLSA-N 1 0 347.484 2.559 10 10 EFCERO CC(=O)N1CCN(Cc2cc(Br)cc(C)c2O)[C@H](C)C1 ZINC000271827005 474595732 /nfs/dbraw/zinc/59/57/32/474595732.db2.gz OBYNDNABBZQZCH-LLVKDONJSA-N 1 0 341.249 2.516 10 10 EFCERO COc1c(O)c(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)ccc1[N+](=O)[O-] ZINC000278149402 474601927 /nfs/dbraw/zinc/60/19/27/474601927.db2.gz CCYQNDHTIOMCBE-CABCVRRESA-N 1 0 349.431 2.756 10 10 EFCERO Cn1ccnc1[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)C1CCOCC1 ZINC000284415224 474635799 /nfs/dbraw/zinc/63/57/99/474635799.db2.gz DJYXLNVGVBCBED-SFHVURJKSA-N 1 0 327.428 2.613 10 10 EFCERO COc1c(O)c(C[N@@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000278533446 474685480 /nfs/dbraw/zinc/68/54/80/474685480.db2.gz VOFXJNSAEWGWKX-JSGCOSHPSA-N 1 0 338.404 2.538 10 10 EFCERO COc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273374890 474867270 /nfs/dbraw/zinc/86/72/70/474867270.db2.gz HAWKAINKXPEAMZ-BZNIZROVSA-N 1 0 332.356 2.693 10 10 EFCERO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000273456170 474908103 /nfs/dbraw/zinc/90/81/03/474908103.db2.gz IAHIZBRADNTXSS-QGZVFWFLSA-N 1 0 341.407 2.966 10 10 EFCERO CCNC(=O)N1CC[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000268454028 474987721 /nfs/dbraw/zinc/98/77/21/474987721.db2.gz WUOYQKYAQRISRY-SFHVURJKSA-N 1 0 339.439 2.953 10 10 EFCERO Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CCc4cccc(O)c43)C2)n(C)n1 ZINC000296582549 475381563 /nfs/dbraw/zinc/38/15/63/475381563.db2.gz WBTHSLOJXWGHJI-JKSUJKDBSA-N 1 0 326.444 2.680 10 10 EFCERO COc1cc(Cl)cc(C[NH2+]C2(CO)Cc3ccccc3C2)c1O ZINC000359973374 476279124 /nfs/dbraw/zinc/27/91/24/476279124.db2.gz KUPDEMZFNYALRO-UHFFFAOYSA-N 1 0 333.815 2.674 10 10 EFCERO Oc1ccc(Cl)cc1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000374703684 476497028 /nfs/dbraw/zinc/49/70/28/476497028.db2.gz SDHHSQGGRTZWMM-MLGOLLRUSA-N 1 0 325.836 2.703 10 10 EFCERO Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000374703683 476497126 /nfs/dbraw/zinc/49/71/26/476497126.db2.gz SDHHSQGGRTZWMM-LRDDRELGSA-N 1 0 325.836 2.703 10 10 EFCERO COc1ccc(O)c(C[N@@H+]2CC[C@H](OCc3c(C)noc3C)C2)c1 ZINC000377684823 476518960 /nfs/dbraw/zinc/51/89/60/476518960.db2.gz YGOWAENZLSLMFK-INIZCTEOSA-N 1 0 332.400 2.797 10 10 EFCERO CN(C)c1ccc(CNC(=O)NC2CC([NH+]3CCCCC3)C2)cc1F ZINC000376116800 477182232 /nfs/dbraw/zinc/18/22/32/477182232.db2.gz QXKRBQCLVFCVHM-UHFFFAOYSA-N 1 0 348.466 2.708 10 10 EFCERO Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000376670742 477453672 /nfs/dbraw/zinc/45/36/72/477453672.db2.gz IMXDCWYCVRUOLH-FQEVSTJZSA-N 1 0 340.471 2.984 10 10 EFCERO COc1cc(O)c(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)cc1OC ZINC000368059373 477783045 /nfs/dbraw/zinc/78/30/45/477783045.db2.gz KEBOUOLLEYNNLH-OAHLLOKOSA-N 1 0 328.412 2.869 10 10 EFCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cn[nH]c2)C1 ZINC000518473434 478170617 /nfs/dbraw/zinc/17/06/17/478170617.db2.gz RETQMXPYZITQTN-UHFFFAOYSA-N 1 0 337.427 2.770 10 10 EFCERO Cc1cc(C)c(C(=O)NC2CC[NH+](Cc3ccccc3O)CC2)o1 ZINC000527588736 478436924 /nfs/dbraw/zinc/43/69/24/478436924.db2.gz 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COC[C@@H](CC[NH2+][C@@H](C)c1cc(Br)ccc1O)OC ZINC000850485824 1250502648 /nfs/dbraw/zinc/50/26/48/1250502648.db2.gz OATOSXGHBWTWPM-CMPLNLGQSA-N 1 0 332.238 2.857 10 10 EFCERO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)Cc3cccc(OC)n3)C2)cc1 ZINC000850488073 1250503808 /nfs/dbraw/zinc/50/38/08/1250503808.db2.gz KXOYZQRATWGBSG-NVXWUHKLSA-N 1 0 341.455 2.898 10 10 EFCERO COc1ccc(N2CC[C@@H]([NH2+]C3CCC4(CC3)OCCO4)C2)cc1 ZINC000850488451 1250504480 /nfs/dbraw/zinc/50/44/80/1250504480.db2.gz MZBYNFQABPMWKK-MRXNPFEDSA-N 1 0 332.444 2.549 10 10 EFCERO COC[C@H](CC[NH2+][C@@H](C)c1ccc(Br)cc1O)OC ZINC000850487208 1250504626 /nfs/dbraw/zinc/50/46/26/1250504626.db2.gz YFCSBZLRCZYATE-JQWIXIFHSA-N 1 0 332.238 2.857 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)C2(CO)CC2)c1O ZINC000850516926 1250516682 /nfs/dbraw/zinc/51/66/82/1250516682.db2.gz ZOPLCIYIAHPTQC-VHSXEESVSA-N 1 0 344.249 2.975 10 10 EFCERO C[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1ccc(Cl)cc1O ZINC000850517912 1250520373 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ZINC000922484179 1266119065 /nfs/dbraw/zinc/11/90/65/1266119065.db2.gz GCZYFCSUNCNQRU-CYBMUJFWSA-N 1 0 334.460 2.656 10 10 EFCERO C[C@H]([NH2+]Cc1c2c(nn1C)CCC2)c1ccc(N2CCOCC2)cc1 ZINC000921590278 1257516278 /nfs/dbraw/zinc/51/62/78/1257516278.db2.gz DEUATHJIEUYGGI-HNNXBMFYSA-N 1 0 340.471 2.596 10 10 EFCERO CN(C)c1ccc(C[NH2+]CC[C@@H]2CC(=O)N(C)C2)c(C(F)(F)F)c1 ZINC000922489465 1266130424 /nfs/dbraw/zinc/13/04/24/1266130424.db2.gz YTQQZYHNOYTTTG-GFCCVEGCSA-N 1 0 343.393 2.729 10 10 EFCERO NC(=O)CC1CC([NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000922514657 1266181730 /nfs/dbraw/zinc/18/17/30/1266181730.db2.gz LXLGBZYGZKTAAI-UHFFFAOYSA-N 1 0 349.478 2.993 10 10 EFCERO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CCCN3CCSC[C@@H]23)cc1 ZINC000922527625 1266204403 /nfs/dbraw/zinc/20/44/03/1266204403.db2.gz YBMBUFGQTQDGNC-KGJVCODVSA-N 1 0 331.529 2.935 10 10 EFCERO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CCCN3CCSC[C@H]23)cc1 ZINC000922527621 1266204557 /nfs/dbraw/zinc/20/45/57/1266204557.db2.gz 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[O-]c1c(F)cc(Cl)cc1C[N@@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000824654313 1278220028 /nfs/dbraw/zinc/22/00/28/1278220028.db2.gz MUCHBPVBXPTYHO-YVLXSGLVSA-N 1 0 329.799 2.547 10 10 EFCERO [O-]c1c(F)cc(Cl)cc1C[N@@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000824654312 1278220187 /nfs/dbraw/zinc/22/01/87/1278220187.db2.gz MUCHBPVBXPTYHO-WDBKCZKBSA-N 1 0 329.799 2.547 10 10 EFCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)c1cc(C)on1 ZINC001273256400 1264996352 /nfs/dbraw/zinc/99/63/52/1264996352.db2.gz UXFXAAWNZSHUNA-UHFFFAOYSA-N 1 0 331.416 2.552 10 10 EFCERO CN(C)c1ccc(CN2CC[C@@](O)(C(F)F)C2)c(C(F)(F)F)c1 ZINC000824726407 1278264225 /nfs/dbraw/zinc/26/42/25/1278264225.db2.gz LUJZNDZDXUJCJU-AWEZNQCLSA-N 1 0 338.320 2.973 10 10 EFCERO CN(C)c1cc(F)c(C[NH2+]C[C@@H]2CCC3(CCOCC3)O2)cc1F ZINC000922813580 1266917074 /nfs/dbraw/zinc/91/70/74/1266917074.db2.gz WIPRDMSWDBPJRP-AWEZNQCLSA-N 1 0 340.414 2.849 10 10 EFCERO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000734846294 1267129718 /nfs/dbraw/zinc/12/97/18/1267129718.db2.gz PZQRFKXTAKGFME-DYESRHJHSA-N 1 0 340.467 2.777 10 10 EFCERO COC(=O)c1cc2ccccc2c(C[N@@H+]2CCCO[C@H](C)C2)c1O ZINC000738161915 1268381785 /nfs/dbraw/zinc/38/17/85/1268381785.db2.gz NVFZOVZMQAMBMQ-CYBMUJFWSA-N 1 0 329.396 2.943 10 10 EFCERO [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000825124739 1278418985 /nfs/dbraw/zinc/41/89/85/1278418985.db2.gz XCOKPFCJYLCUAX-JMCQJSRRSA-N 1 0 327.705 2.930 10 10 EFCERO OCC1CCN(c2ccc(C[NH2+][C@H]3CO[C@@H](C4CC4)C3)cc2)CC1 ZINC000825137954 1278425566 /nfs/dbraw/zinc/42/55/66/1278425566.db2.gz GBUGQEVWHHDKHO-UYAOXDASSA-N 1 0 330.472 2.552 10 10 EFCERO Cc1cc(C[N@H+](C)C[C@H]2CCS(=O)(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000740864234 1269140887 /nfs/dbraw/zinc/14/08/87/1269140887.db2.gz ALMVYOWKIYJFJS-CQSZACIVSA-N 1 0 339.501 2.865 10 10 EFCERO C[NH+](C)Cc1cccc(C(=O)Nc2cccc(N3CCOCC3)c2)c1 ZINC000741278771 1269439563 /nfs/dbraw/zinc/43/95/63/1269439563.db2.gz NEAVGQAYCYCFER-UHFFFAOYSA-N 1 0 339.439 2.837 10 10 EFCERO COc1cccc(C[N@H+](C)C2CCN(CC(F)(F)F)CC2)c1O ZINC000825294370 1278495152 /nfs/dbraw/zinc/49/51/52/1278495152.db2.gz PCPCCTSDVIOXAF-UHFFFAOYSA-N 1 0 332.366 2.859 10 10 EFCERO CCN(CC)c1ccc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)cc1F ZINC000742392853 1270019030 /nfs/dbraw/zinc/01/90/30/1270019030.db2.gz TUQWQBOSYBBDFQ-SIIHOXLZSA-N 1 0 333.451 2.771 10 10 EFCERO Cc1cc(O)c(C[NH2+]CCC2CCS(=O)(=O)CC2)cc1Cl ZINC000825378725 1278528524 /nfs/dbraw/zinc/52/85/24/1278528524.db2.gz FRSRJHBETIDXJO-UHFFFAOYSA-N 1 0 331.865 2.659 10 10 EFCERO Oc1ccc2ccncc2c1C[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000743353750 1270544271 /nfs/dbraw/zinc/54/42/71/1270544271.db2.gz CGEZRVHDOYAQGN-UHFFFAOYSA-N 1 0 349.438 2.858 10 10 EFCERO CC1(C)CCC[NH2+][C@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000844173763 1278779406 /nfs/dbraw/zinc/77/94/06/1278779406.db2.gz VLNOVAFTXKDLRZ-KRWDZBQOSA-N 1 0 347.528 2.634 10 10 EFCERO COc1ccc(N2CCCN(C(=O)[C@@H]3[NH2+]CCCC3(C)C)CC2)cc1 ZINC000844175767 1278780150 /nfs/dbraw/zinc/78/01/50/1278780150.db2.gz REQIESODDLZPIL-SFHVURJKSA-N 1 0 345.487 2.512 10 10 EFCERO COc1ccc(N2CCCN(C(=O)[C@H]3[NH2+]CCCC3(C)C)CC2)cc1 ZINC000844175766 1278780894 /nfs/dbraw/zinc/78/08/94/1278780894.db2.gz REQIESODDLZPIL-GOSISDBHSA-N 1 0 345.487 2.512 10 10 EFCERO COc1ccc(N2CCN(C(=O)C[N@H+](C)C3(C)CCCC3)CC2)cc1 ZINC000786217081 1275340116 /nfs/dbraw/zinc/34/01/16/1275340116.db2.gz HCVZHYATDHVCDB-UHFFFAOYSA-N 1 0 345.487 2.608 10 10 EFCERO O=S1(=O)CC(CC[NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000786824093 1275554622 /nfs/dbraw/zinc/55/46/22/1275554622.db2.gz HWGKTCCFWMGXMK-UHFFFAOYSA-N 1 0 331.437 2.584 10 10 EFCERO CO[C@@H](CC[NH2+]Cc1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC000786824338 1275554843 /nfs/dbraw/zinc/55/48/43/1275554843.db2.gz VXSGLCVNVDADQU-HNNXBMFYSA-N 1 0 332.366 2.580 10 10 EFCERO CC[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H]1[C@H](C(=O)OC)C1(F)F ZINC000787769202 1275902065 /nfs/dbraw/zinc/90/20/65/1275902065.db2.gz BOOWMLONDHBCHY-LSDHHAIUSA-N 1 0 326.387 2.629 10 10 EFCERO c1cc(-c2ccc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)o2)n[nH]1 ZINC000788507810 1276204042 /nfs/dbraw/zinc/20/40/42/1276204042.db2.gz QEFYPCLBOSVZSO-UHFFFAOYSA-N 1 0 338.411 2.796 10 10 EFCERO C[C@@H]1CCNC[C@@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000817903111 1276367085 /nfs/dbraw/zinc/36/70/85/1276367085.db2.gz IBKYKIICURBWGE-DYVFJYSZSA-N 1 0 339.430 2.844 10 10 EFCERO C[C@H](N[C@@H]1C[NH2+]CC[C@@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000817967760 1276410806 /nfs/dbraw/zinc/41/08/06/1276410806.db2.gz LXSGSNLAHLDNET-SUNYJGFJSA-N 1 0 337.895 2.825 10 10 EFCERO CN(C)c1ccc([C@H](N)C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000817941893 1276386964 /nfs/dbraw/zinc/38/69/64/1276386964.db2.gz LPGIXJZDFHHPBY-PNYFIKQUSA-N 1 0 331.504 2.937 10 10 EFCERO CN(C)c1ccc([C@H](N)C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)cc1 ZINC000817942565 1276389263 /nfs/dbraw/zinc/38/92/63/1276389263.db2.gz PPHBJUXFMNTZRG-VBSBHUPXSA-N 1 0 331.504 2.937 10 10 EFCERO C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cc(Br)c(F)cc1[O-] ZINC000817954104 1276398075 /nfs/dbraw/zinc/39/80/75/1276398075.db2.gz BSRRCOPWCDOJIJ-VHSXEESVSA-N 1 0 331.229 2.944 10 10 EFCERO CC[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(F)cc1[O-] ZINC000817984494 1276424168 /nfs/dbraw/zinc/42/41/68/1276424168.db2.gz YWUNTSLVBDJJPR-HTWSVDAQSA-N 1 0 335.467 2.788 10 10 EFCERO COc1ccc(-n2c(C)cc(C(=O)N3CC[C@H]([NH3+])[C@@H]3C)c2C)cc1 ZINC000817992372 1276433019 /nfs/dbraw/zinc/43/30/19/1276433019.db2.gz TYZWRPGOKMJYEI-KSSFIOAISA-N 1 0 327.428 2.664 10 10 EFCERO O=[N+]([O-])c1cc(C[NH2+]C[C@H](O)C(F)(F)F)ccc1N1CCCCC1 ZINC000788977338 1276445092 /nfs/dbraw/zinc/44/50/92/1276445092.db2.gz CRTWAGDQYGAVLZ-AWEZNQCLSA-N 1 0 347.337 2.598 10 10 EFCERO C[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000818110832 1276465646 /nfs/dbraw/zinc/46/56/46/1276465646.db2.gz AXJKBTJFTVDRTR-YJBOKZPZSA-N 1 0 345.487 2.573 10 10 EFCERO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCCc4n[nH]cc43)C2)cc1 ZINC000818342181 1276510279 /nfs/dbraw/zinc/51/02/79/1276510279.db2.gz MYHZTDQNWROPPN-KDOFPFPSSA-N 1 0 326.444 2.912 10 10 EFCERO C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000818361515 1276519517 /nfs/dbraw/zinc/51/95/17/1276519517.db2.gz KDPYXZYYNVJABV-CJNGLKHVSA-N 1 0 347.434 2.614 10 10 EFCERO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)c1ccc(N2CCCCCC2)cc1 ZINC000818362596 1276520233 /nfs/dbraw/zinc/52/02/33/1276520233.db2.gz YBAKHDBKQZUGFI-CRAIPNDOSA-N 1 0 343.471 2.865 10 10 EFCERO O[C@@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccc(F)cn1 ZINC000818964042 1276551812 /nfs/dbraw/zinc/55/18/12/1276551812.db2.gz IUJGOMATOLHOED-SFHVURJKSA-N 1 0 347.459 2.597 10 10 EFCERO Cc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000818985340 1276563336 /nfs/dbraw/zinc/56/33/36/1276563336.db2.gz RBOOFKXAUAYNNQ-MRXNPFEDSA-N 1 0 332.419 2.730 10 10 EFCERO CCOc1ccc(C[NH2+]C/C=C/CNC(=O)OC(C)(C)C)c(O)c1 ZINC000789866469 1277062507 /nfs/dbraw/zinc/06/25/07/1277062507.db2.gz PTEONLJVPWGVRO-VOTSOKGWSA-N 1 0 336.432 2.961 10 10 EFCERO Cc1cc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)ccc1N(C)C ZINC000815047008 1287266536 /nfs/dbraw/zinc/26/65/36/1287266536.db2.gz JVLFMVAQYOHBBS-GOSISDBHSA-N 1 0 329.488 2.895 10 10 EFCERO FC(F)Oc1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)ccn1 ZINC000790636537 1277691325 /nfs/dbraw/zinc/69/13/25/1277691325.db2.gz QDUVQFUZURKZGJ-UHFFFAOYSA-N 1 0 349.381 2.809 10 10 EFCERO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](c3ccnc(N)n3)C2)cc1 ZINC000815104384 1287326131 /nfs/dbraw/zinc/32/61/31/1287326131.db2.gz JGFDXFNHPXYMMV-MRXNPFEDSA-N 1 0 325.460 2.895 10 10 EFCERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792790949 1279155206 /nfs/dbraw/zinc/15/52/06/1279155206.db2.gz VMBMIWVVBRUFOD-YPMHNXCESA-N 1 0 343.393 2.857 10 10 EFCERO CN(C)c1ccc(C[NH2+][C@H]2CCC[C@H](C(N)=O)C2)c(C(F)(F)F)c1 ZINC000792991855 1279318390 /nfs/dbraw/zinc/31/83/90/1279318390.db2.gz LKYBGTDDGRHOHX-AAEUAGOBSA-N 1 0 343.393 2.905 10 10 EFCERO CNC(=O)[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)C(C)C ZINC000793021947 1279346500 /nfs/dbraw/zinc/34/65/00/1279346500.db2.gz RMOJURDUYLCSQE-AWEZNQCLSA-N 1 0 331.382 2.632 10 10 EFCERO CCC[NH+]1CCC(CNC(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000844939661 1279354429 /nfs/dbraw/zinc/35/44/29/1279354429.db2.gz SPIDGRZFHSQCCQ-UHFFFAOYSA-N 1 0 339.867 2.967 10 10 EFCERO O=[N+]([O-])c1cc(C[NH2+]Cc2ncccc2O)ccc1N1CCCCC1 ZINC000793257852 1279481869 /nfs/dbraw/zinc/48/18/69/1279481869.db2.gz VUUFPXAIMKQNOP-UHFFFAOYSA-N 1 0 342.399 2.976 10 10 EFCERO C[C@H](O)[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1F ZINC000846015968 1279978531 /nfs/dbraw/zinc/97/85/31/1279978531.db2.gz FERICBVLDHXGBI-YWZLYKJASA-N 1 0 344.430 2.874 10 10 EFCERO COC(=O)CC1([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000846028236 1279989937 /nfs/dbraw/zinc/98/99/37/1279989937.db2.gz AQPZQZBXPDFUKG-UHFFFAOYSA-N 1 0 347.415 2.770 10 10 EFCERO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@](C)(O)c1ccccc1 ZINC000846037146 1279996158 /nfs/dbraw/zinc/99/61/58/1279996158.db2.gz IOFYNJUSQPIOGN-UWJYYQICSA-N 1 0 340.467 2.909 10 10 EFCERO C[C@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)C2(CCC2)CO1 ZINC000846067852 1280018924 /nfs/dbraw/zinc/01/89/24/1280018924.db2.gz ZAEKFWUPKAGESE-HNNXBMFYSA-N 1 0 334.435 2.806 10 10 EFCERO CCOc1cccc(C[NH2+][C@@H]2CCCc3c2ccc(=O)n3C)c1O ZINC000846110734 1280020107 /nfs/dbraw/zinc/02/01/07/1280020107.db2.gz ZJKNLIXPIDJUQY-OAHLLOKOSA-N 1 0 328.412 2.657 10 10 EFCERO CCOc1ccc(O)c(C[NH2+][C@@H]2CCCc3c2ccc(=O)n3C)c1 ZINC000846109651 1280020699 /nfs/dbraw/zinc/02/06/99/1280020699.db2.gz UHLTXSRXNWCWDS-MRXNPFEDSA-N 1 0 328.412 2.657 10 10 EFCERO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCc3c2ccc(=O)n3C)c1 ZINC000846122332 1280026579 /nfs/dbraw/zinc/02/65/79/1280026579.db2.gz HTQWISFEBUKLPJ-LRDDRELGSA-N 1 0 328.412 2.828 10 10 EFCERO COc1cccc([C@@H](C)[NH2+][C@@H](C)[C@H](O)c2ccc3c(c2)OCO3)c1O ZINC000846168240 1280045200 /nfs/dbraw/zinc/04/52/00/1280045200.db2.gz RMBCZGUBWRQPCW-SOZUMNATSA-N 1 0 345.395 2.902 10 10 EFCERO C[NH2+]Cc1ccccc1CNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000846144546 1280051925 /nfs/dbraw/zinc/05/19/25/1280051925.db2.gz MJCSBYGELWGCQV-UHFFFAOYSA-N 1 0 344.434 2.611 10 10 EFCERO Cc1cc(Br)cc([C@H](C)[NH2+]CC[C@@]2(O)CCOC2)c1O ZINC000846194045 1280066216 /nfs/dbraw/zinc/06/62/16/1280066216.db2.gz QWGSJAXCZGIFRP-XHDPSFHLSA-N 1 0 344.249 2.655 10 10 EFCERO Cc1cc(Br)cc([C@@H](C)[NH2+]CC[C@]2(O)CCOC2)c1O ZINC000846194040 1280066552 /nfs/dbraw/zinc/06/65/52/1280066552.db2.gz QWGSJAXCZGIFRP-ABAIWWIYSA-N 1 0 344.249 2.655 10 10 EFCERO C[NH+](C)CCOc1ccccc1C(=O)NCc1cc(Cl)ccc1O ZINC000846474086 1280190392 /nfs/dbraw/zinc/19/03/92/1280190392.db2.gz YQAPIVOPLHLXGF-UHFFFAOYSA-N 1 0 348.830 2.916 10 10 EFCERO CCN(CC)c1ccc(CNC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)cc1F ZINC000846672256 1280392828 /nfs/dbraw/zinc/39/28/28/1280392828.db2.gz FBISZTWIWUOOCQ-IRXDYDNUSA-N 1 0 333.451 2.819 10 10 EFCERO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC001175428496 1287425100 /nfs/dbraw/zinc/42/51/00/1287425100.db2.gz WWLBTSJUJXAHRW-WDEREUQCSA-N 1 0 340.383 2.652 10 10 EFCERO C[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1cc(F)ccc1O ZINC000872118936 1287434286 /nfs/dbraw/zinc/43/42/86/1287434286.db2.gz LTYIGBZIHLPNDL-CRMUJIHISA-N 1 0 327.421 2.538 10 10 EFCERO C/C(=C/c1cccnc1)C(=O)N1C[C@@H](C[NH+](C)C)Oc2ccccc21 ZINC000846923431 1280620198 /nfs/dbraw/zinc/62/01/98/1280620198.db2.gz RDPZXKSTDHFDQQ-JBXOJTMHSA-N 1 0 337.423 2.841 10 10 EFCERO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CC[C@H]3C)cc2F)CC1 ZINC000805863869 1280822801 /nfs/dbraw/zinc/82/28/01/1280822801.db2.gz BMURKYSUYJRYCF-PBHICJAKSA-N 1 0 348.466 2.565 10 10 EFCERO COC(=O)[C@](C)(O)C[N@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000808742311 1281892132 /nfs/dbraw/zinc/89/21/32/1281892132.db2.gz OQZABXWCILWWIN-MGPUTAFESA-N 1 0 343.423 2.879 10 10 EFCERO O=[N+]([O-])c1cc(CN2CC[NH+]3CCC2CC3)ccc1N1CCCCC1 ZINC000809742983 1282445413 /nfs/dbraw/zinc/44/54/13/1282445413.db2.gz PLEHHSOPPVLKPK-UHFFFAOYSA-N 1 0 344.459 2.865 10 10 EFCERO CN(C)c1ccc(CN(C)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000809965738 1282654091 /nfs/dbraw/zinc/65/40/91/1282654091.db2.gz LUKFWICJTMKJAC-LJQANCHMSA-N 1 0 335.467 2.924 10 10 EFCERO COCC[C@H](COC)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000810256760 1283107244 /nfs/dbraw/zinc/10/72/44/1283107244.db2.gz FVNPGTLJTRWQHP-ZYHUDNBSSA-N 1 0 332.238 2.857 10 10 EFCERO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cnc3nc(C)cc(C)n23)c1 ZINC000813330768 1285813956 /nfs/dbraw/zinc/81/39/56/1285813956.db2.gz GZVNCLNXNVIZSY-CYBMUJFWSA-N 1 0 326.400 2.911 10 10 EFCERO Cc1cc(Br)c(O)c(CN2CC[C@H]3C[N@@H+](C)C[C@@H]32)c1 ZINC000814173039 1286354052 /nfs/dbraw/zinc/35/40/52/1286354052.db2.gz FJXDAVRHAHVHQU-FZMZJTMJSA-N 1 0 325.250 2.599 10 10 EFCERO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCC(C)(C)[NH+](C)C ZINC001135261580 1287882742 /nfs/dbraw/zinc/88/27/42/1287882742.db2.gz CSVCRJWOYVNQRF-UHFFFAOYSA-N 1 0 341.455 2.977 10 10 EFCERO Cn1ncc(C[NH2+]Cc2cc(Br)ccc2O)c1Cl ZINC000816608827 1288223822 /nfs/dbraw/zinc/22/38/22/1288223822.db2.gz KQKJJFLJPQELJU-UHFFFAOYSA-N 1 0 330.613 2.831 10 10 EFCERO Cc1cc(Cl)cc(C[NH2+][C@@H](C2CC2)[C@]2(CO)CCCO2)c1O ZINC000816667884 1288249028 /nfs/dbraw/zinc/24/90/28/1288249028.db2.gz YRUKGWAQUPRHRL-DLBZAZTESA-N 1 0 325.836 2.764 10 10 EFCERO Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000816955334 1288340071 /nfs/dbraw/zinc/34/00/71/1288340071.db2.gz ZKXRJGRCFZQXLK-HOCLYGCPSA-N 1 0 329.469 2.932 10 10 EFCERO COc1ccc(N2CCCN(Cc3nn(C)cc3Cl)CC2)cc1 ZINC000817274943 1288519921 /nfs/dbraw/zinc/51/99/21/1288519921.db2.gz UFMUXKHWOIQECZ-UHFFFAOYSA-N 1 0 334.851 2.794 10 10 EFCERO CNC(=O)[C@H]1CC[N@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000817414329 1288591422 /nfs/dbraw/zinc/59/14/22/1288591422.db2.gz FMYKPIIOGUYZHH-INIZCTEOSA-N 1 0 343.496 2.952 10 10 EFCERO Cc1cc(CC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c(C)n1-c1ccccc1 ZINC000823665351 1289406286 /nfs/dbraw/zinc/40/62/86/1289406286.db2.gz YZAILQRPRORJOK-SFHVURJKSA-N 1 0 337.467 2.990 10 10 EFCERO COc1ccc(C[NH2+]Cc2cccnc2OC)cc1Cn1cccn1 ZINC000873012005 1289519853 /nfs/dbraw/zinc/51/98/53/1289519853.db2.gz AGGCGKQAVWZDNJ-UHFFFAOYSA-N 1 0 338.411 2.633 10 10 EFCERO O=C1OCCN1C[C@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000824450941 1289654780 /nfs/dbraw/zinc/65/47/80/1289654780.db2.gz CVKREZRWLDCVEX-AWEZNQCLSA-N 1 0 326.396 2.820 10 10 EFCERO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](CN3CCOC3=O)C2)cc1 ZINC000824451091 1289655880 /nfs/dbraw/zinc/65/58/80/1289655880.db2.gz HBQJLVLNAZBXTE-QGZVFWFLSA-N 1 0 331.460 2.807 10 10 EFCERO Cc1cc(O)c(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)cc1C ZINC000824515671 1289678226 /nfs/dbraw/zinc/67/82/26/1289678226.db2.gz GQRHQWWXTYEJKI-HNNXBMFYSA-N 1 0 331.437 2.670 10 10 EFCERO Cc1cc(Br)cc(CN2CCC([NH+](C)C)CC2)c1O ZINC000124537769 1289849378 /nfs/dbraw/zinc/84/93/78/1289849378.db2.gz IRZIBBCJTTXUSM-UHFFFAOYSA-N 1 0 327.266 2.989 10 10 EFCERO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000795693923 1291212227 /nfs/dbraw/zinc/21/22/27/1291212227.db2.gz RIHWXUCSLPZAPL-INIZCTEOSA-N 1 0 343.345 2.808 10 10 EFCERO CNC(=O)C[C@@H]([NH2+][C@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC000795849526 1291553783 /nfs/dbraw/zinc/55/37/83/1291553783.db2.gz KXFDUFVEBSTQCL-CXAGYDPISA-N 1 0 328.412 2.929 10 10 EFCERO Cc1cc(O)c(C[N@@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)cc1Cl ZINC000826043019 1291687213 /nfs/dbraw/zinc/68/72/13/1291687213.db2.gz CSVYNJBWZGSLMR-JGGQBBKZSA-N 1 0 325.836 2.716 10 10 EFCERO CCOc1cccc(C[NH2+][C@H](C)[C@H]2CCCN(C(=O)OC)C2)c1O ZINC000775344921 1291985886 /nfs/dbraw/zinc/98/58/86/1291985886.db2.gz BAZXLZIUOKRKND-HIFRSBDPSA-N 1 0 336.432 2.747 10 10 EFCERO CCOc1ccc(O)c(C[NH2+][C@@H](C)[C@H]2CCCN(C(=O)OC)C2)c1 ZINC000775346265 1291989999 /nfs/dbraw/zinc/98/99/99/1291989999.db2.gz LAUTUJSMUCCPTH-KBPBESRZSA-N 1 0 336.432 2.747 10 10 EFCERO CCOc1ccc(O)c(C[NH2+][C@@H](C)[C@@H]2CCCN(C(=O)OC)C2)c1 ZINC000775346269 1291990149 /nfs/dbraw/zinc/99/01/49/1291990149.db2.gz LAUTUJSMUCCPTH-UONOGXRCSA-N 1 0 336.432 2.747 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)Cc2cccnc2)cc1C ZINC001277791491 1312957372 /nfs/dbraw/zinc/95/73/72/1312957372.db2.gz BLMHXJXEIROMPT-INIZCTEOSA-N 1 0 341.455 2.578 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CCCCO2)cc1C ZINC001277792925 1312960196 /nfs/dbraw/zinc/96/01/96/1312960196.db2.gz MARIQMKUUGIVDD-MAUKXSAKSA-N 1 0 334.460 2.509 10 10 EFCERO CCOc1ccc(O)c(C[NH+]2CCN(c3nc(C)cs3)CC2)c1 ZINC000133877409 1294022277 /nfs/dbraw/zinc/02/22/77/1294022277.db2.gz DXUBNDWKOIZSPZ-UHFFFAOYSA-N 1 0 333.457 2.878 10 10 EFCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)[C@H]2CCCOCC2)cc1C ZINC001273991185 1294058823 /nfs/dbraw/zinc/05/88/23/1294058823.db2.gz ORLOJKYDLXKAIW-JXCVUKRWSA-N 1 0 346.471 2.582 10 10 EFCERO CCc1cnc(N2CC[NH+](Cc3cc(OC)ccc3O)CC2)s1 ZINC000775695242 1294163092 /nfs/dbraw/zinc/16/30/92/1294163092.db2.gz JKCXSCFDVYEJAA-UHFFFAOYSA-N 1 0 333.457 2.742 10 10 EFCERO CCOc1ccc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)[C@@H]3C)O2)c(O)c1 ZINC000886340512 1294874280 /nfs/dbraw/zinc/87/42/80/1294874280.db2.gz HXXOYLVPKKJBGU-AGGDQXJMSA-N 1 0 335.444 2.853 10 10 EFCERO C[C@H]([NH2+]CC(=O)N1CCO[C@H]2CCCC[C@H]21)c1ccc(N(C)C)cc1 ZINC000775835115 1294965654 /nfs/dbraw/zinc/96/56/54/1294965654.db2.gz FKIAAYPVSOVLHB-IPELMVKDSA-N 1 0 345.487 2.573 10 10 EFCERO C[C@H]([NH2+]CC(=O)Nc1nc2c(s1)CCC2)c1ccc(N(C)C)cc1 ZINC000775835048 1294969450 /nfs/dbraw/zinc/96/94/50/1294969450.db2.gz DJXAJRIMEGICBE-LBPRGKRZSA-N 1 0 344.484 2.987 10 10 EFCERO CC(C)(C)c1cc(C[N@@H+]2C[C@H](O)C[C@H]2CO)c(O)c(C(C)(C)C)c1 ZINC000775993864 1295628374 /nfs/dbraw/zinc/62/83/74/1295628374.db2.gz DAJITYGCQRKOFU-JKSUJKDBSA-N 1 0 335.488 2.915 10 10 EFCERO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1cc(Cl)cc(C)c1O ZINC000776013180 1295661049 /nfs/dbraw/zinc/66/10/49/1295661049.db2.gz LEFCRWYLUVRAGM-CABCVRRESA-N 1 0 341.835 2.897 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)Cc2cccs2)cc1C ZINC001275058039 1296227032 /nfs/dbraw/zinc/22/70/32/1296227032.db2.gz XOIJLYSXUYSMOB-AWEZNQCLSA-N 1 0 332.469 2.902 10 10 EFCERO CC[N@H+](CCc1nnc(C)o1)Cc1cc(Br)ccc1O ZINC000929755976 1297205418 /nfs/dbraw/zinc/20/54/18/1297205418.db2.gz VCLZWTTYHKVNPC-UHFFFAOYSA-N 1 0 340.221 2.911 10 10 EFCERO CC(C)Oc1ccc(N(C)Cc2cnnn2[C@H]2CCC[NH2+]C2)cc1 ZINC000903915256 1313407184 /nfs/dbraw/zinc/40/71/84/1313407184.db2.gz OHDQNOJBAOVNRJ-INIZCTEOSA-N 1 0 329.448 2.626 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)C[C@H]3CCCO3)C2)cc1C ZINC001488714435 1297723694 /nfs/dbraw/zinc/72/36/94/1297723694.db2.gz AOYQHPIGFLNKFU-FGTMMUONSA-N 1 0 346.471 2.557 10 10 EFCERO CCOP(=O)(OCC)[C@H](O)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000851899817 1299455211 /nfs/dbraw/zinc/45/52/11/1299455211.db2.gz HDVPHTBVECHDFE-ABAIWWIYSA-N 1 0 347.348 2.636 10 10 EFCERO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000852338308 1299666314 /nfs/dbraw/zinc/66/63/14/1299666314.db2.gz QDCOCLKPXBUHOU-KGLIPLIRSA-N 1 0 344.377 2.926 10 10 EFCERO CN1CCCc2cc(CNC(=O)NC[C@H]3CC[N@@H+]3C(C)(C)C)ccc21 ZINC000852411907 1299694079 /nfs/dbraw/zinc/69/40/79/1299694079.db2.gz IVKJSMYCBBPDIC-QGZVFWFLSA-N 1 0 344.503 2.741 10 10 EFCERO CC(=O)c1cc(F)cc(C[NH2+][C@H]2CCC[C@@H]2Cc2cnn(C)c2)c1O ZINC000852562944 1299757949 /nfs/dbraw/zinc/75/79/49/1299757949.db2.gz NLVSMLXRRYBJQB-KDOFPFPSSA-N 1 0 345.418 2.968 10 10 EFCERO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C(C)(C)CC(F)(F)F)cc1 ZINC000852791279 1299888743 /nfs/dbraw/zinc/88/87/43/1299888743.db2.gz FWCBYNIWMSMTSA-ZDUSSCGKSA-N 1 0 331.382 2.847 10 10 EFCERO CC(C)OC[C@H]([NH3+])C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000852797288 1299892066 /nfs/dbraw/zinc/89/20/66/1299892066.db2.gz NOVMMDKCISQOQG-IBGZPJMESA-N 1 0 347.503 2.824 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+]CCOCCF)c1O ZINC000853237168 1300061253 /nfs/dbraw/zinc/06/12/53/1300061253.db2.gz RGPPCCXZLKIEKN-SECBINFHSA-N 1 0 336.201 2.800 10 10 EFCERO CC(C)NC(=O)[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000853603130 1300188063 /nfs/dbraw/zinc/18/80/63/1300188063.db2.gz WWVFIUIQVBVZIC-OAHLLOKOSA-N 1 0 327.428 2.677 10 10 EFCERO CCN(C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)[C@@H]1CC[N@H+](C)C1 ZINC000854176199 1300462194 /nfs/dbraw/zinc/46/21/94/1300462194.db2.gz BZOIDEWWQQVKAW-VQIMIIECSA-N 1 0 346.519 2.728 10 10 EFCERO Cc1cc(Br)cc([C@H](C)NCC23CC(C2)C[NH2+]3)c1O ZINC000854227110 1300478469 /nfs/dbraw/zinc/47/84/69/1300478469.db2.gz LXQZERJMUBZZPW-NLTNOIMHSA-N 1 0 325.250 2.866 10 10 EFCERO COc1ccc(N2CC[C@@H](NC(=O)CCCC[NH+]3CCCC3)C2)cc1 ZINC000855230211 1300850753 /nfs/dbraw/zinc/85/07/53/1300850753.db2.gz OHPLQVWAVFFSPR-QGZVFWFLSA-N 1 0 345.487 2.656 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)C2=COCCC2)C2CC2)cc1C ZINC001276552161 1313818181 /nfs/dbraw/zinc/81/81/81/1313818181.db2.gz CMQIXGDBBGDUFH-GOSISDBHSA-N 1 0 344.455 2.682 10 10 EFCERO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000861687106 1302190428 /nfs/dbraw/zinc/19/04/28/1302190428.db2.gz XDISWMCWQKWPBA-WBVHZDCISA-N 1 0 332.492 2.813 10 10 EFCERO COc1cc(Cl)cc(C[NH2+][C@](C)(CO)c2cccc(O)c2)c1O ZINC000862433587 1302383111 /nfs/dbraw/zinc/38/31/11/1302383111.db2.gz YCAHANXAACBQMY-QGZVFWFLSA-N 1 0 337.803 2.757 10 10 EFCERO COc1cc(O)c(C[NH2+]C[C@@H]2Cc3ccccc3CO2)cc1OC ZINC000862436089 1302384951 /nfs/dbraw/zinc/38/49/51/1302384951.db2.gz WNAKTSLFZZYTNY-INIZCTEOSA-N 1 0 329.396 2.641 10 10 EFCERO COc1cc(O)c(C[NH2+][C@@H]2COc3cccc(C)c3C2)cc1OC ZINC000862439592 1302386383 /nfs/dbraw/zinc/38/63/83/1302386383.db2.gz LHEDDTGWWHZDSM-AWEZNQCLSA-N 1 0 329.396 2.811 10 10 EFCERO OCCOC1(C[NH2+]Cc2cc(F)ccc2O)CCC(F)(F)CC1 ZINC000862475537 1302394496 /nfs/dbraw/zinc/39/44/96/1302394496.db2.gz NXSAQXVQFLIHCQ-UHFFFAOYSA-N 1 0 333.350 2.578 10 10 EFCERO CCOC(=O)C1=CC[C@@H]([NH2+]Cc2ccc(Br)cc2O)C1 ZINC000862489150 1302400681 /nfs/dbraw/zinc/40/06/81/1302400681.db2.gz AYVAVWMGCAACPI-CYBMUJFWSA-N 1 0 340.217 2.896 10 10 EFCERO OC[C@]12CCC[C@H]1C[N@H+](Cc1c(O)cccc1Br)C2 ZINC000862529175 1302405085 /nfs/dbraw/zinc/40/50/85/1302405085.db2.gz PHWJFBPJZKWCTM-XHDPSFHLSA-N 1 0 326.234 2.749 10 10 EFCERO COC[C@@]1(C)C[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)CCO1 ZINC000862552002 1302412268 /nfs/dbraw/zinc/41/22/68/1302412268.db2.gz REVNFNFRXFWMGG-LJQANCHMSA-N 1 0 337.460 2.936 10 10 EFCERO CCCN(CC(F)(F)F)C(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000863539545 1302643529 /nfs/dbraw/zinc/64/35/29/1302643529.db2.gz DZXKZGJSDOAXBZ-UHFFFAOYSA-N 1 0 343.393 2.699 10 10 EFCERO CCCN(CCC)c1ccc(CNCc2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC000863649273 1302668847 /nfs/dbraw/zinc/66/88/47/1302668847.db2.gz XOZXUIWAUDHDSG-UHFFFAOYSA-N 1 0 343.475 2.557 10 10 EFCERO CCOC(=O)C1(COC)CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000794699591 1302989314 /nfs/dbraw/zinc/98/93/14/1302989314.db2.gz LXAVCAOYCUESKE-UHFFFAOYSA-N 1 0 347.455 2.673 10 10 EFCERO COc1ccc(N2CCC([NH2+]Cc3cn(C4CC4)cn3)CC2)cc1 ZINC000865444147 1303259345 /nfs/dbraw/zinc/25/93/45/1303259345.db2.gz JYXROJIVJFVDIR-UHFFFAOYSA-N 1 0 326.444 2.985 10 10 EFCERO O=[N+]([O-])c1cc(C[NH2+]CC[C@@H](O)C(F)F)ccc1N1CCCCC1 ZINC000865688460 1303367301 /nfs/dbraw/zinc/36/73/01/1303367301.db2.gz CZPCQFXDEGKOAN-OAHLLOKOSA-N 1 0 343.374 2.691 10 10 EFCERO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H](C1CCC1)[C@H]1CCOC1 ZINC000865761810 1303389615 /nfs/dbraw/zinc/38/96/15/1303389615.db2.gz REPVDLSYDXDTLM-ICSRJNTNSA-N 1 0 330.472 2.818 10 10 EFCERO Fc1cc(C[NH2+][C@H](C2CCC2)[C@H]2CCOC2)ccc1N1CCOCC1 ZINC000865761651 1303390268 /nfs/dbraw/zinc/39/02/68/1303390268.db2.gz HKKXJQGWPWDTLM-FXAWDEMLSA-N 1 0 348.462 2.957 10 10 EFCERO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2CC3(CO2)CCOCC3)cc1 ZINC000865779862 1303398237 /nfs/dbraw/zinc/39/82/37/1303398237.db2.gz QEFPXDQNMUOMBC-LLHWWHOWSA-N 1 0 330.472 2.941 10 10 EFCERO CCN(CC)c1ccc(C[NH2+][C@@H](C)C2(S(C)(=O)=O)CC2)cc1F ZINC000796493897 1303579874 /nfs/dbraw/zinc/57/98/74/1303579874.db2.gz ZGPODBYSKGEUGD-ZDUSSCGKSA-N 1 0 342.480 2.727 10 10 EFCERO COc1ccc(N2CC[C@@H]([NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCC4)C2)cc1 ZINC000866384347 1303619729 /nfs/dbraw/zinc/61/97/29/1303619729.db2.gz AELIZRLBOXVMEP-FCLVOEFKSA-N 1 0 328.456 2.821 10 10 EFCERO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCN(CC(C)(C)O)C2)c1O ZINC000866413490 1303629013 /nfs/dbraw/zinc/62/90/13/1303629013.db2.gz RXQAABUZIYSDBB-JSGCOSHPSA-N 1 0 326.868 2.850 10 10 EFCERO C[C@H]1C[C@H]([NH2+]Cc2ccnc(-n3cncn3)c2)c2c1c(F)ccc2O ZINC000866432894 1303637754 /nfs/dbraw/zinc/63/77/54/1303637754.db2.gz FGFXILKDFGCOGE-FZMZJTMJSA-N 1 0 339.374 2.845 10 10 EFCERO C[C@H]([NH2+]CC[C@H](O)C(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000866442201 1303641565 /nfs/dbraw/zinc/64/15/65/1303641565.db2.gz GTQNMPMCDICEAF-NHYWBVRUSA-N 1 0 348.821 2.843 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCC[C@@H]2O)c1O ZINC000866489497 1303660177 /nfs/dbraw/zinc/66/01/77/1303660177.db2.gz PMUVBEBDGCRBOL-UWJYBYFXSA-N 1 0 330.222 2.727 10 10 EFCERO C[C@]12C[C@H]1CCC[C@@H]2[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000800479320 1307930412 /nfs/dbraw/zinc/93/04/12/1307930412.db2.gz ZAUGUUDOJCNJNH-NEWSRXKRSA-N 1 0 348.512 2.590 10 10 EFCERO Fc1cc(C[NH+]2CC(C3CCOCC3)C2)ccc1N1CCOCC1 ZINC000800532472 1308065303 /nfs/dbraw/zinc/06/53/03/1308065303.db2.gz XDASCHMFFUZPEF-UHFFFAOYSA-N 1 0 334.435 2.521 10 10 EFCERO O=C(NCCCSc1nccs1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900683912 1308524898 /nfs/dbraw/zinc/52/48/98/1308524898.db2.gz TULMGHPIYUZAJM-CHWSQXEVSA-N 1 0 325.503 2.758 10 10 EFCERO Oc1cc2c(cc1C[N@@H+]1CC[C@](F)(c3ccccc3)C1)[C@@H](O)CO2 ZINC000800858610 1308559737 /nfs/dbraw/zinc/55/97/37/1308559737.db2.gz BNQUYNLYTMLTEF-PKOBYXMFSA-N 1 0 329.371 2.889 10 10 EFCERO Oc1ccc2oc3c(c2c1C[N@@H+]1C[C@@H]2COC[C@H](C1)O2)CCCC3 ZINC000800862989 1308569367 /nfs/dbraw/zinc/56/93/67/1308569367.db2.gz CWYADUKQNVHRPH-BETUJISGSA-N 1 0 329.396 2.617 10 10 EFCERO COc1ccc(N2CCN(CC[NH2+][C@H]3CC[C@@H]3C3CCC3)CC2)cc1 ZINC000800969618 1308762342 /nfs/dbraw/zinc/76/23/42/1308762342.db2.gz SKYRKSUNFZJXLX-RTWAWAEBSA-N 1 0 343.515 2.986 10 10 EFCERO O=S1(=O)CCN(c2ccc(C[NH2+][C@@H]3CC[C@@H]3C3CCC3)cc2)CC1 ZINC000800970519 1308764180 /nfs/dbraw/zinc/76/41/80/1308764180.db2.gz BIDFOZSRGQUZLK-RTBURBONSA-N 1 0 348.512 2.590 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2ncccc2F)cc1C ZINC001283693593 1319969526 /nfs/dbraw/zinc/96/95/26/1319969526.db2.gz ZCVYEJHBXGBOBI-AWEZNQCLSA-N 1 0 345.418 2.788 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3CCC[C@@H]3OC)CC2)cc1C ZINC001277102058 1311618086 /nfs/dbraw/zinc/61/80/86/1311618086.db2.gz PPIXCVYAOUTPLN-AEFFLSMTSA-N 1 0 346.471 2.557 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@H]3CCC[C@H]3OC)CC2)cc1C ZINC001277102060 1311618320 /nfs/dbraw/zinc/61/83/20/1311618320.db2.gz PPIXCVYAOUTPLN-FUHWJXTLSA-N 1 0 346.471 2.557 10 10 EFCERO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001162113412 1312050379 /nfs/dbraw/zinc/05/03/79/1312050379.db2.gz GHMDLVUJQCJZSH-WBVHZDCISA-N 1 0 335.467 2.542 10 10 EFCERO CCCn1cc([C@H](C)[NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)nn1 ZINC000903026988 1312292181 /nfs/dbraw/zinc/29/21/81/1312292181.db2.gz YCROHFAZMLFXLX-HOTGVXAUSA-N 1 0 343.475 2.874 10 10 EFCERO COc1ccc(O)c([C@H](C)[NH2+]CC2CCC(S(C)(=O)=O)CC2)c1 ZINC000903155207 1312415180 /nfs/dbraw/zinc/41/51/80/1312415180.db2.gz UZONJVJKIISICE-OPFPJEHXSA-N 1 0 341.473 2.655 10 10 EFCERO C[C@H]([NH2+]CC1(S(=O)(=O)NC(C)(C)C)CCC1)c1ccccc1O ZINC000903188992 1312444634 /nfs/dbraw/zinc/44/46/34/1312444634.db2.gz LYNMBHFWEYQXFT-ZDUSSCGKSA-N 1 0 340.489 2.683 10 10 EFCERO C[C@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)c1ccc(Br)cc1O ZINC000903216273 1312470333 /nfs/dbraw/zinc/47/03/33/1312470333.db2.gz XVGLKAWBRMWCNF-QWRGUYRKSA-N 1 0 341.249 2.674 10 10 EFCERO Cc1cc(Br)cc([C@H](C)[NH2+]C2CC(CC(N)=O)C2)c1O ZINC000903258930 1312513823 /nfs/dbraw/zinc/51/38/23/1312513823.db2.gz DOSOUJFBKVETQQ-BMQDGWLCSA-N 1 0 341.249 2.768 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCN(C)[C@@H]2C)c1O ZINC000903300145 1312551323 /nfs/dbraw/zinc/55/13/23/1312551323.db2.gz HDKYLPKSMGTRCT-OPQQBVKSSA-N 1 0 343.265 2.907 10 10 EFCERO COc1ccc(N2CCC([NH2+]C[C@@]3(OC(C)C)CCOC3)CC2)cc1 ZINC000903362137 1312599479 /nfs/dbraw/zinc/59/94/79/1312599479.db2.gz ZKLLDLAWNJQXFB-FQEVSTJZSA-N 1 0 348.487 2.838 10 10 EFCERO CCOCCC(=O)N(C)C1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001279208582 1315193995 /nfs/dbraw/zinc/19/39/95/1315193995.db2.gz FTOMDMZDOPXYII-UHFFFAOYSA-N 1 0 334.460 2.509 10 10 EFCERO CC(C)C[C@@H]1C[C@H]1NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001251783074 1315377616 /nfs/dbraw/zinc/37/76/16/1315377616.db2.gz JEWPAJXYHSLNHU-IEBWSBKVSA-N 1 0 344.503 2.672 10 10 EFCERO Cc1cc(Br)cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1O ZINC000723706312 1315804584 /nfs/dbraw/zinc/80/45/84/1315804584.db2.gz YRRZLGKRNAYSHN-OKILXGFUSA-N 1 0 325.250 2.742 10 10 EFCERO CC[C@H](CNC(=O)c1cccnc1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001318492719 1328617121 /nfs/dbraw/zinc/61/71/21/1328617121.db2.gz BHOHZNUHCGJDCP-QGZVFWFLSA-N 1 0 327.428 2.697 10 10 EFCERO CC[C@@H](CNC(=O)c1ccsn1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001318538305 1328632550 /nfs/dbraw/zinc/63/25/50/1328632550.db2.gz QRRXBLVYLOGYCD-AWEZNQCLSA-N 1 0 333.457 2.758 10 10 EFCERO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CC(C)(C)CS(C)(=O)=O ZINC001262206693 1316452654 /nfs/dbraw/zinc/45/26/54/1316452654.db2.gz JATCGXCMCTUTHS-QWHCGFSZSA-N 1 0 325.474 2.909 10 10 EFCERO C[C@@H]1C[C@H]([NH2+]Cc2ccc(O)cc2O)CCN1C(=O)OC(C)(C)C ZINC000382721441 1316556492 /nfs/dbraw/zinc/55/64/92/1316556492.db2.gz OQTMELMYPJRFTL-TZMCWYRMSA-N 1 0 336.432 2.975 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@@H]2CCCCO2)cc1C ZINC001266136608 1317086251 /nfs/dbraw/zinc/08/62/51/1317086251.db2.gz FRFWZONXBZPXGC-YJBOKZPZSA-N 1 0 334.460 2.557 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)Cc2cnc(C)o2)cc1C ZINC001266149354 1317100687 /nfs/dbraw/zinc/10/06/87/1317100687.db2.gz UWSAGSCENTUZNL-AWEZNQCLSA-N 1 0 345.443 2.527 10 10 EFCERO CCOCC(=O)N1CCC[C@@H](CC[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001318759293 1328690469 /nfs/dbraw/zinc/69/04/69/1328690469.db2.gz FKFDTLYIBVAOMR-KRWDZBQOSA-N 1 0 348.487 2.758 10 10 EFCERO CC[C@H](OC)C(=O)N1CC[C@H](CC[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001279992112 1317431371 /nfs/dbraw/zinc/43/13/71/1317431371.db2.gz WUEDTDWYATXWIV-WMZOPIPTSA-N 1 0 348.487 2.757 10 10 EFCERO COCCCCC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001281387212 1318248732 /nfs/dbraw/zinc/24/87/32/1318248732.db2.gz HXYVAKRBTHBQHA-FUHWJXTLSA-N 1 0 348.487 2.757 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)Cc2ccoc2)cc1C ZINC001281708118 1318553668 /nfs/dbraw/zinc/55/36/68/1318553668.db2.gz VZIFIXAXONWWCU-HNNXBMFYSA-N 1 0 330.428 2.824 10 10 EFCERO COc1ccc(C[NH2+]CC2CC(NC(=O)C(=O)C(C)(C)C)C2)cc1C ZINC001281990610 1318652390 /nfs/dbraw/zinc/65/23/90/1318652390.db2.gz LZEKVNAOCMIFEW-UHFFFAOYSA-N 1 0 346.471 2.603 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2[nH]c(C)nc2C)cc1C ZINC001282190644 1318774429 /nfs/dbraw/zinc/77/44/29/1318774429.db2.gz AYUNCWRIIXMWTD-CHWSQXEVSA-N 1 0 344.459 2.640 10 10 EFCERO C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@@H](C)[NH2+]CCC1CC1 ZINC001282241188 1318800622 /nfs/dbraw/zinc/80/06/22/1318800622.db2.gz IOLGPADCGUFDEO-VXGBXAGGSA-N 1 0 331.420 2.746 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2ccncc2C)cc1C ZINC001319182878 1328799510 /nfs/dbraw/zinc/79/95/10/1328799510.db2.gz XWQQTUJEHFYZSX-AWEZNQCLSA-N 1 0 341.455 2.863 10 10 EFCERO CCc1ocnc1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001283591894 1319861238 /nfs/dbraw/zinc/86/12/38/1319861238.db2.gz PEAIAJMUNSNFMY-AWEZNQCLSA-N 1 0 345.443 2.804 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc1C ZINC001283676718 1319950284 /nfs/dbraw/zinc/95/02/84/1319950284.db2.gz DGGOFJQICNPPAT-MYZZLAAOSA-N 1 0 346.471 2.508 10 10 EFCERO COCCCCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H]1C ZINC001283867418 1320061423 /nfs/dbraw/zinc/06/14/23/1320061423.db2.gz UCMJILZZYSVJPT-FUHWJXTLSA-N 1 0 348.487 2.899 10 10 EFCERO CCCC[NH2+][C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@@H]1C ZINC001283940217 1320104617 /nfs/dbraw/zinc/10/46/17/1320104617.db2.gz QSLGTLFHUBKLHL-IUODEOHRSA-N 1 0 331.420 2.842 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2ccccn2)cc1C ZINC001319415327 1328877475 /nfs/dbraw/zinc/87/74/75/1328877475.db2.gz BEOUSBAQQPTEMQ-OAHLLOKOSA-N 1 0 327.428 2.649 10 10 EFCERO COc1ccc(C[NH2+]C2CC(N(C)C(=O)C[C@H](C)OC)C2)cc1C ZINC001284750627 1320507682 /nfs/dbraw/zinc/50/76/82/1320507682.db2.gz GRUACQPUFUZUBK-OOHWJJMZSA-N 1 0 334.460 2.508 10 10 EFCERO CC(C)CC[NH2+]C[C@H](C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001319592344 1328923853 /nfs/dbraw/zinc/92/38/53/1328923853.db2.gz JMNPHLMZQGFALX-ZDUSSCGKSA-N 1 0 333.436 2.945 10 10 EFCERO CC(C)Cc1nnc(N(C)Cc2ccccc2O)n1C[C@@H](C)[NH+](C)C ZINC001287365664 1321459546 /nfs/dbraw/zinc/45/95/46/1321459546.db2.gz SHZNGBDJFROGRC-OAHLLOKOSA-N 1 0 345.491 2.769 10 10 EFCERO O=C(Cc1ccc(O)c(O)c1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC001290116530 1321879179 /nfs/dbraw/zinc/87/91/79/1321879179.db2.gz WKBNNSPRWJCSNF-KRWDZBQOSA-N 1 0 340.423 2.594 10 10 EFCERO CCCn1cc(C(=O)NC[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)cn1 ZINC001491595842 1323735798 /nfs/dbraw/zinc/73/57/98/1323735798.db2.gz QDSYSEZTRZZKFN-HNNXBMFYSA-N 1 0 344.459 2.518 10 10 EFCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCCCO2)cc1C ZINC001320383898 1329120139 /nfs/dbraw/zinc/12/01/39/1329120139.db2.gz FNRDANSSWAPPSQ-YJBOKZPZSA-N 1 0 334.460 2.557 10 10 EFCERO Cc1cc(C[N@@H+]2C[C@H](CO)OC(C)(C)C2)ccc1N1CCCCC1 ZINC001307856767 1324783292 /nfs/dbraw/zinc/78/32/92/1324783292.db2.gz KQGGKWMFFPICGG-GOSISDBHSA-N 1 0 332.488 2.957 10 10 EFCERO C[C@H]([NH2+]Cc1cc(Cl)cc(S(N)(=O)=O)c1)c1ccccc1O ZINC001308010790 1324789284 /nfs/dbraw/zinc/78/92/84/1324789284.db2.gz ZQYYNMHGVCZXAI-JTQLQIEISA-N 1 0 340.832 2.544 10 10 EFCERO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](C(=O)N(C)C)C2)c1O ZINC001308108909 1324794434 /nfs/dbraw/zinc/79/44/34/1324794434.db2.gz OYCUGOGLBPZQTD-LBPRGKRZSA-N 1 0 338.835 2.548 10 10 EFCERO CC[N@H+](Cc1cc(Br)ccc1O)C[C@@]1(O)CCCOC1 ZINC000851792639 1324830542 /nfs/dbraw/zinc/83/05/42/1324830542.db2.gz NPFUFZHSHLRXNR-HNNXBMFYSA-N 1 0 344.249 2.518 10 10 EFCERO Nc1cc[nH+]c(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 ZINC000903953316 1324857525 /nfs/dbraw/zinc/85/75/25/1324857525.db2.gz CVVXVRWDPSRZJN-UHFFFAOYSA-N 1 0 341.415 2.852 10 10 EFCERO C[NH+]1CCN(c2ccc(CNC(=O)N3CCCC(C)(C)C3)cc2)CC1 ZINC001313211750 1325008965 /nfs/dbraw/zinc/00/89/65/1325008965.db2.gz KHGIXBPIHOUANF-UHFFFAOYSA-N 1 0 344.503 2.770 10 10 EFCERO CCO[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1)C1CC1 ZINC001317109486 1325581158 /nfs/dbraw/zinc/58/11/58/1325581158.db2.gz OCNCFHQWCRWUNE-ZIFCJYIRSA-N 1 0 346.471 2.556 10 10 EFCERO CC[C@@H]1CCO[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001321095137 1329342377 /nfs/dbraw/zinc/34/23/77/1329342377.db2.gz ALLVDFZOPADHOZ-ZHHRLCKPSA-N 1 0 346.471 2.581 10 10 EFCERO CC[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001317128495 1327610577 /nfs/dbraw/zinc/61/05/77/1327610577.db2.gz QAVPZLWIFBIRKW-DFBGVHRSSA-N 1 0 331.420 2.746 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2cc(C)nc(C)c2)cc1C ZINC001317243003 1327782068 /nfs/dbraw/zinc/78/20/68/1327782068.db2.gz WBZSYYVZJLYWHQ-MRXNPFEDSA-N 1 0 341.455 2.924 10 10 EFCERO CCCCO[C@@H](C)C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001317298287 1327831180 /nfs/dbraw/zinc/83/11/80/1327831180.db2.gz ILSOUTOIQBGJPM-WMZOPIPTSA-N 1 0 348.487 2.899 10 10 EFCERO CC[C@H](C)C[NH2+][C@H](C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001317416979 1327966456 /nfs/dbraw/zinc/96/64/56/1327966456.db2.gz DPOKXNUQJVVURU-QWHCGFSZSA-N 1 0 333.436 2.993 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2cc(Cl)cn2C)cc1C ZINC001321574926 1329396074 /nfs/dbraw/zinc/39/60/74/1329396074.db2.gz INDGNUGWNDDLDN-CYBMUJFWSA-N 1 0 349.862 2.904 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2cc(C3CC3)n[nH]2)cc1C ZINC001321654531 1329401223 /nfs/dbraw/zinc/40/12/23/1329401223.db2.gz KWFJEHUYDJZWSK-CYBMUJFWSA-N 1 0 342.443 2.512 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)c2cnn(C(C)C)c2)cc1C ZINC001317647290 1328232999 /nfs/dbraw/zinc/23/29/99/1328232999.db2.gz BPTLWIJUKRZVSV-UHFFFAOYSA-N 1 0 344.459 2.643 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)Cc2ccc(C)nc2)cc1C ZINC001321746078 1329406436 /nfs/dbraw/zinc/40/64/36/1329406436.db2.gz FEUUQODVJOCZIR-MRXNPFEDSA-N 1 0 341.455 2.544 10 10 EFCERO CCC(CC)C[NH2+]C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001322093114 1329427781 /nfs/dbraw/zinc/42/77/81/1329427781.db2.gz DFQISRNLSMUBNM-LBPRGKRZSA-N 1 0 333.436 2.993 10 10 EFCERO CC(C)C[NH2+]C[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1C ZINC001325597568 1329699783 /nfs/dbraw/zinc/69/97/83/1329699783.db2.gz FGYKSKVSORTSTC-ZFWWWQNUSA-N 1 0 345.447 2.803 10 10 EFCERO Cc1cc(O)c(C[NH2+]C[C@H](CO)CC2CCOCC2)c(Cl)c1 ZINC001327395307 1330471691 /nfs/dbraw/zinc/47/16/91/1330471691.db2.gz VLASIWMEFUZCAC-CQSZACIVSA-N 1 0 327.852 2.869 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2ncccc2F)cc1C ZINC001328429305 1330591319 /nfs/dbraw/zinc/59/13/19/1330591319.db2.gz KOECZAOEJNRPES-AWEZNQCLSA-N 1 0 345.418 2.836 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)C[C@@H](C)OC)cc1C ZINC001328604303 1330607401 /nfs/dbraw/zinc/60/74/01/1330607401.db2.gz FNCJHKFNHZPJJQ-AEFFLSMTSA-N 1 0 348.487 2.899 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2ccc(F)nc2)cc1C ZINC001329007615 1330656582 /nfs/dbraw/zinc/65/65/82/1330656582.db2.gz KAIOTGCAPZMBGV-KGLIPLIRSA-N 1 0 345.418 2.834 10 10 EFCERO CCC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc2cccnc2c1O ZINC001329032842 1330659618 /nfs/dbraw/zinc/65/96/18/1330659618.db2.gz SXSPYUCDBBNLEQ-MRXNPFEDSA-N 1 0 327.428 2.821 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2c[nH]cc2C)cc1C ZINC001329198474 1330679808 /nfs/dbraw/zinc/67/98/08/1330679808.db2.gz XEKSWKVBLHRJPX-LSDHHAIUSA-N 1 0 329.444 2.937 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H](OC)C2CCC2)cc1C ZINC001331514559 1330846098 /nfs/dbraw/zinc/84/60/98/1330846098.db2.gz BECZXXDNEUPPAZ-BEFAXECRSA-N 1 0 348.487 2.755 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)Cc2cscn2)cc1C ZINC001331576787 1330855385 /nfs/dbraw/zinc/85/53/85/1330855385.db2.gz VIQWPBBFYORHPC-AWEZNQCLSA-N 1 0 347.484 2.639 10 10 EFCERO CN(C)c1ccc(/C=C\C[NH2+]C2CC[NH+](CCCC(=O)[O-])CC2)cc1 ZINC001332029558 1330906946 /nfs/dbraw/zinc/90/69/46/1330906946.db2.gz KCAFCLOICFFXOM-HYXAFXHYSA-N 1 0 345.487 2.685 10 10 EFCERO COC(=O)c1c(C[NH2+]CCC2(CO)CCC2)c2cc(F)ccc2n1C ZINC001332718236 1331008305 /nfs/dbraw/zinc/00/83/05/1331008305.db2.gz PTCFOVLEPOQOQR-UHFFFAOYSA-N 1 0 348.418 2.746 10 10 EFCERO CC[C@H](C)OCC(=O)N(C)C1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001333055952 1331072258 /nfs/dbraw/zinc/07/22/58/1331072258.db2.gz AZVHQJAOBJZMHL-ZLPCBKJTSA-N 1 0 348.487 2.898 10 10 EFCERO [NH3+][C@@H]1CN(Cc2ccc(N3CCCC3)cc2)CC[C@@H]1C(F)(F)F ZINC001333175281 1331088506 /nfs/dbraw/zinc/08/85/06/1331088506.db2.gz FROZTWHBSVOKTH-JKSUJKDBSA-N 1 0 327.394 2.998 10 10 EFCERO CCCSCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001480196382 1333460288 /nfs/dbraw/zinc/46/02/88/1333460288.db2.gz KBBPINYQZWXZSE-IYBDPMFKSA-N 1 0 336.501 2.884 10 10 EFCERO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000847386259 1333641254 /nfs/dbraw/zinc/64/12/54/1333641254.db2.gz XLJUNUCHYRHRAM-MDZRGWNJSA-N 1 0 346.519 2.631 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+]C2CCN(C)CC2)c1O ZINC000848522540 1334772255 /nfs/dbraw/zinc/77/22/55/1334772255.db2.gz WKNVPSLZMARPTM-JTQLQIEISA-N 1 0 343.265 2.908 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+]Cc2nccn2C)c1O ZINC000848524444 1334772459 /nfs/dbraw/zinc/77/24/59/1334772459.db2.gz IYCXEOUERGPABG-VIFPVBQESA-N 1 0 340.221 2.748 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+]CC2(O)CCC2)c1O ZINC000848528199 1334775711 /nfs/dbraw/zinc/77/57/11/1334775711.db2.gz KHMYEESTQRYATQ-VIFPVBQESA-N 1 0 330.222 2.729 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCCOC2)c1O ZINC000848528442 1334776082 /nfs/dbraw/zinc/77/60/82/1334776082.db2.gz MCIWJAOJNSFHFN-MWLCHTKSSA-N 1 0 330.222 2.993 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+]Cc2cc[nH]n2)c1O ZINC000848529253 1334776253 /nfs/dbraw/zinc/77/62/53/1334776253.db2.gz TYQZAUATMCFZJF-MRVPVSSYSA-N 1 0 326.194 2.737 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+][C@H](CO)C(C)C)c1O ZINC000848530588 1334777502 /nfs/dbraw/zinc/77/75/02/1334777502.db2.gz CCJYUOHNYOQKOD-JOYOIKCWSA-N 1 0 332.238 2.831 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+]CC2(CO)CC2)c1O ZINC000848531878 1334777779 /nfs/dbraw/zinc/77/77/79/1334777779.db2.gz VJEKWQZYQYIZQZ-VIFPVBQESA-N 1 0 330.222 2.586 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+]CCC[C@H](C)O)c1O ZINC000848549128 1334788624 /nfs/dbraw/zinc/78/86/24/1334788624.db2.gz KWSJBJZNJUKGOL-UWVGGRQHSA-N 1 0 332.238 2.975 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+]CCC[C@H](C)O)c1O ZINC000848549129 1334789110 /nfs/dbraw/zinc/78/91/10/1334789110.db2.gz KWSJBJZNJUKGOL-VHSXEESVSA-N 1 0 332.238 2.975 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+]Cc2cncn2C)c1O ZINC000848550545 1334790595 /nfs/dbraw/zinc/79/05/95/1334790595.db2.gz QAHOHEPUOAGERI-VIFPVBQESA-N 1 0 340.221 2.748 10 10 EFCERO CC[C@H]([NH2+][C@@H](C)c1cc(Br)cc(OC)c1O)[C@@H](C)O ZINC000848553893 1334792224 /nfs/dbraw/zinc/79/22/24/1334792224.db2.gz OHFWGRIRNFZDLE-SBMIAAHKSA-N 1 0 332.238 2.973 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+][C@H](CO)CCF)c1O ZINC000848555352 1334792555 /nfs/dbraw/zinc/79/25/55/1334792555.db2.gz AKOQOTRDPBANGC-WPRPVWTQSA-N 1 0 336.201 2.534 10 10 EFCERO C[C@@H]([NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)c1cc2c(cc1O)CCCC2 ZINC000848573438 1334800791 /nfs/dbraw/zinc/80/07/91/1334800791.db2.gz ZUTMMBGOFWLCJI-MLGOLLRUSA-N 1 0 330.428 2.905 10 10 EFCERO [NH3+]C[C@@H](NCc1ccc(OCc2ccccc2)cc1O)C(F)(F)F ZINC000848714385 1334856589 /nfs/dbraw/zinc/85/65/89/1334856589.db2.gz OJTWPRINVQIYBW-MRXNPFEDSA-N 1 0 340.345 2.950 10 10 EFCERO CCc1cccc(C[N@@H+](CC(=O)N2CCCC2)C[C@@H]2CCCO2)c1O ZINC000848888169 1334963091 /nfs/dbraw/zinc/96/30/91/1334963091.db2.gz NSZFZZRXFSGAST-SFHVURJKSA-N 1 0 346.471 2.558 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C2CC2)N(C)C(=O)[C@@H]2CCCO2)cc1C ZINC001507002785 1406575715 /nfs/dbraw/zinc/57/57/15/1406575715.db2.gz ZACWTBAHFNXUMR-MJGOQNOKSA-N 1 0 346.471 2.509 10 10 EFCERO c1csc(SCCC[NH2+]Cc2cnc(N3CCCC3)nc2)n1 ZINC001461232815 1396363371 /nfs/dbraw/zinc/36/33/71/1396363371.db2.gz RSELACVBBSUFCW-UHFFFAOYSA-N 1 0 335.502 2.805 10 10 EFCERO Cc1cc(F)cc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001462468606 1396436822 /nfs/dbraw/zinc/43/68/22/1396436822.db2.gz PMYHLMMVSWXWFK-UHFFFAOYSA-N 1 0 341.430 2.816 10 10 EFCERO CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001463815033 1396523151 /nfs/dbraw/zinc/52/31/51/1396523151.db2.gz UMTJWHSLGRGKDW-FQEVSTJZSA-N 1 0 327.472 2.731 10 10 EFCERO CC(C)[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)[NH+]1CCC(C)CC1 ZINC001464138678 1396550361 /nfs/dbraw/zinc/55/03/61/1396550361.db2.gz QJAAFPZSNSJEEV-MRXNPFEDSA-N 1 0 334.460 2.513 10 10 EFCERO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)COC(C)(C)C)[C@@H]2C)cc1C ZINC001507278355 1406840718 /nfs/dbraw/zinc/84/07/18/1406840718.db2.gz OYXNNQGXECFPDT-NVXWUHKLSA-N 1 0 348.487 2.898 10 10 EFCERO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)COCC3CC3)C2)cc1C ZINC001507301911 1406866061 /nfs/dbraw/zinc/86/60/61/1406866061.db2.gz SSHUZCPKXPIYDF-CRAIPNDOSA-N 1 0 346.471 2.509 10 10 EFCERO O=C(NCc1ccc(Nc2cc[nH+]cc2)cc1)c1cccc(O)c1O ZINC001470598219 1397101310 /nfs/dbraw/zinc/10/13/10/1397101310.db2.gz CDCJPDRCHXVKNQ-UHFFFAOYSA-N 1 0 335.363 2.588 10 10 EFCERO C[C@@H]1CN(CC[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)C[C@H](C)O1 ZINC001473114919 1397283116 /nfs/dbraw/zinc/28/31/16/1397283116.db2.gz JHZHLGJRHSXYRH-CALCHBBNSA-N 1 0 331.504 2.826 10 10 EFCERO CC[C@@H](CO)[NH+]1CCN(Cc2ccc(N3CCCCC3)c(C)c2)CC1 ZINC001473199513 1397289325 /nfs/dbraw/zinc/28/93/25/1397289325.db2.gz MQIZTHDKQGBQEV-FQEVSTJZSA-N 1 0 345.531 2.874 10 10 EFCERO C[C@@H]1CCC[N@@H+]1CCNC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001479477857 1397733884 /nfs/dbraw/zinc/73/38/84/1397733884.db2.gz WFKXNECAULUOEF-QGZVFWFLSA-N 1 0 344.503 2.913 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CCn3cccc3)C2)cc1C ZINC001480163534 1398135589 /nfs/dbraw/zinc/13/55/89/1398135589.db2.gz DJDXYCXKICVUCC-IYARVYRRSA-N 1 0 341.455 2.632 10 10 EFCERO COc1ccc(C[NH2+][C@H]2CCC[C@@H](NC(=O)CC(C)(C)O)C2)cc1C ZINC001480693853 1398287947 /nfs/dbraw/zinc/28/79/47/1398287947.db2.gz VQJIUMVUQSICPB-DLBZAZTESA-N 1 0 348.487 2.682 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)c2cc(C(C)C)on2)cc1C ZINC001493647105 1398788950 /nfs/dbraw/zinc/78/89/50/1398788950.db2.gz HGPCXJMRCKQZKK-UHFFFAOYSA-N 1 0 345.443 2.977 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C[C@H]2CCCCO2)cc1C ZINC001496043225 1400437646 /nfs/dbraw/zinc/43/76/46/1400437646.db2.gz SBSYBUWGLIUTHA-SJLPKXTDSA-N 1 0 348.487 2.899 10 10 EFCERO C[C@@H](C[NH2+]CC1CC(C)C1)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001496242569 1400566324 /nfs/dbraw/zinc/56/63/24/1400566324.db2.gz HJWRXBZXMYPHDP-MOKVOYLWSA-N 1 0 345.447 2.945 10 10 EFCERO C[C@H](C[NH2+]CC1CC(C)C1)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001496242570 1400566522 /nfs/dbraw/zinc/56/65/22/1400566522.db2.gz HJWRXBZXMYPHDP-ROKHWSDSSA-N 1 0 345.447 2.945 10 10 EFCERO COc1ccc(C[NH2+][C@H](CNC(=O)c2cc(C)n[nH]2)C(C)C)cc1C ZINC001496532693 1400801617 /nfs/dbraw/zinc/80/16/17/1400801617.db2.gz UCKPPJYDAIBFFZ-QGZVFWFLSA-N 1 0 344.459 2.579 10 10 EFCERO CC[C@H](C)C[N@H+](C)CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001496842754 1401031411 /nfs/dbraw/zinc/03/14/11/1401031411.db2.gz AGQOBSCPCZLULL-ZDUSSCGKSA-N 1 0 333.436 2.899 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)Cc2occc2C)cc1C ZINC001497907100 1401732247 /nfs/dbraw/zinc/73/22/47/1401732247.db2.gz SFKLFDSIULEZNK-OAHLLOKOSA-N 1 0 330.428 2.742 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)c3ncccc3C)CC2)cc1C ZINC001499194683 1402516366 /nfs/dbraw/zinc/51/63/66/1402516366.db2.gz HHLLQZKOQVIRLF-UHFFFAOYSA-N 1 0 339.439 2.759 10 10 EFCERO C[C@@H](F)CC[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001499955616 1402868868 /nfs/dbraw/zinc/86/88/68/1402868868.db2.gz VMXRVCRBGIIZPT-DOMZBBRYSA-N 1 0 349.410 2.791 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](NC(=O)[C@@H](C)OC)C2CCCC2)cc1C ZINC001500075418 1402925106 /nfs/dbraw/zinc/92/51/06/1402925106.db2.gz OMXDLQNTJWNPEC-QAPCUYQASA-N 1 0 348.487 2.803 10 10 EFCERO COc1ccc(C[NH2+]CC[C@H]2CCN(C(=O)c3ccon3)C2)cc1C ZINC001501540506 1403618947 /nfs/dbraw/zinc/61/89/47/1403618947.db2.gz DFHWALBEYUMCEW-HNNXBMFYSA-N 1 0 343.427 2.634 10 10 EFCERO CCO[C@@H](C)C(=O)N1CCC(C)([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001502768155 1404334602 /nfs/dbraw/zinc/33/46/02/1404334602.db2.gz GHOZLUOHGSSQBA-INIZCTEOSA-N 1 0 348.487 2.899 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)COC2CCCC2)cc1C ZINC001505567340 1404787105 /nfs/dbraw/zinc/78/71/05/1404787105.db2.gz UGHUOHUJGUITDW-CVEARBPZSA-N 1 0 348.487 2.946 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc2ccco2)cc1C ZINC001505712936 1404970614 /nfs/dbraw/zinc/97/06/14/1404970614.db2.gz HIWNONUSYOUIRG-LSDHHAIUSA-N 1 0 330.428 2.822 10 10 EFCERO Cc1cc(CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c(C)n1-c1ccccc1 ZINC001556602760 1415078480 /nfs/dbraw/zinc/07/84/80/1415078480.db2.gz LSMJWRKXCCURIY-KXTWHKPSSA-N 1 0 337.467 2.655 10 10 EFCERO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC001557063768 1415103496 /nfs/dbraw/zinc/10/34/96/1415103496.db2.gz YVDPAVRUJOBYSJ-MAUKXSAKSA-N 1 0 331.504 2.981 10 10 EFCERO COc1cc(C)nc(NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC001559298357 1415238303 /nfs/dbraw/zinc/23/83/03/1415238303.db2.gz QQISPMWUUJDYHK-MRXNPFEDSA-N 1 0 329.448 2.574 10 10 EFCERO C[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC001560075215 1415262471 /nfs/dbraw/zinc/26/24/71/1415262471.db2.gz WWLBTSJUJXAHRW-GHMZBOCLSA-N 1 0 340.383 2.652 10 10 EFCERO CCN(C)c1ccc(C[N@@H+]2CCN(c3cnccn3)[C@H](C)C2)cc1 ZINC001560239721 1415269254 /nfs/dbraw/zinc/26/92/54/1415269254.db2.gz KPFMKYXSMOQBEO-MRXNPFEDSA-N 1 0 325.460 2.643 10 10 EFCERO CC[C@@H](C)[C@@H](OC)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001566843735 1415796595 /nfs/dbraw/zinc/79/65/95/1415796595.db2.gz LMBRAAKHPVLKTI-UEILYKACSA-N 1 0 348.487 2.802 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2c(C)ccn2C)cc1C ZINC001567011726 1415899269 /nfs/dbraw/zinc/89/92/69/1415899269.db2.gz LHVSUCLLVQISKW-HNNXBMFYSA-N 1 0 329.444 2.559 10 10 EFCERO CCc1cncc(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)c1 ZINC001567037794 1415909857 /nfs/dbraw/zinc/90/98/57/1415909857.db2.gz UNOGIBKYYAJVHA-OAHLLOKOSA-N 1 0 341.455 2.869 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)CCCC(C)=O)C2)cc1C ZINC001567112794 1415937250 /nfs/dbraw/zinc/93/72/50/1415937250.db2.gz IHOVRCIQHYLUML-SFHVURJKSA-N 1 0 346.471 2.701 10 10 EFCERO CCCOCC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001567160258 1415958375 /nfs/dbraw/zinc/95/83/75/1415958375.db2.gz UFGYTXFQJHIDDF-MSOLQXFVSA-N 1 0 348.487 2.947 10 10 EFCERO C[C@H](CCNC(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CC[C@H](C)F ZINC001567240820 1416008160 /nfs/dbraw/zinc/00/81/60/1416008160.db2.gz PKHWGSDPUGSZDO-NWDGAFQWSA-N 1 0 337.399 2.695 10 10 EFCERO CC[C@@H](F)C[NH2+]C[C@@H](C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001568322600 1416476671 /nfs/dbraw/zinc/47/66/71/1416476671.db2.gz OXUPUXZBYDIGHG-DGCLKSJQSA-N 1 0 337.399 2.647 10 10 EFCERO COc1ccc(C[NH2+][C@H](CNC(=O)c2cnc(C)[nH]2)C(C)C)cc1C ZINC001568445322 1416536418 /nfs/dbraw/zinc/53/64/18/1416536418.db2.gz IJDSJMDMPUCZGJ-MRXNPFEDSA-N 1 0 344.459 2.579 10 10 EFCERO CCN(OC)C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC001645884228 1416579581 /nfs/dbraw/zinc/57/95/81/1416579581.db2.gz FTYFQGJFLLKXEN-UHFFFAOYSA-N 1 0 329.444 2.818 10 10 EFCERO C[C@@H]1CCC[C@@H]1CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001686243358 1416793859 /nfs/dbraw/zinc/79/38/59/1416793859.db2.gz IVXAXZGHCLVKNY-SJLPKXTDSA-N 1 0 344.503 2.674 10 10 EFCERO CC[C@@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)C1CC1 ZINC001687080876 1416841218 /nfs/dbraw/zinc/84/12/18/1416841218.db2.gz LPSMFWDVUUBNSG-QZTJIDSGSA-N 1 0 332.492 2.843 10 10 EFCERO COc1ccc(CN2CC[NH+](CCc3ccccc3)CC2)c(O)c1 ZINC000122326599 1417061362 /nfs/dbraw/zinc/06/13/62/1417061362.db2.gz NAXBAWKUNFCUOY-UHFFFAOYSA-N 1 0 326.440 2.761 10 10 EFCERO COc1ccc(C[NH2+][C@@H](CNC(=O)C(=O)C(C)(C)C)C2CC2)cc1C ZINC001690144923 1417164865 /nfs/dbraw/zinc/16/48/65/1417164865.db2.gz IQLKSUIXMOHFMH-INIZCTEOSA-N 1 0 346.471 2.603 10 10 EFCERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2nocc2C)C2CC2)cc1C ZINC001690176503 1417170347 /nfs/dbraw/zinc/17/03/47/1417170347.db2.gz UAHWTKAFUSFXGP-INIZCTEOSA-N 1 0 343.427 2.598 10 10 EFCERO COCCC1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)CC1 ZINC001690277652 1417181495 /nfs/dbraw/zinc/18/14/95/1417181495.db2.gz DYLXIWSOSZTQFK-QAQDUYKDSA-N 1 0 346.471 2.557 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CCC(F)F)C2)cc1C ZINC001690283770 1417182411 /nfs/dbraw/zinc/18/24/11/1417182411.db2.gz ZYXHLBKYOKUYIR-HDJSIYSDSA-N 1 0 326.387 2.786 10 10 EFCERO CCOCC1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)CC1 ZINC001690344996 1417193437 /nfs/dbraw/zinc/19/34/37/1417193437.db2.gz FSAIBNBVKMYTBV-CALCHBBNSA-N 1 0 346.471 2.557 10 10 EFCERO CCCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1C ZINC001699971371 1417532113 /nfs/dbraw/zinc/53/21/13/1417532113.db2.gz SYABMMFZKJFGEH-DZGCQCFKSA-N 1 0 345.447 2.947 10 10 EFCERO CCOCCC(=O)N1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@H]1C ZINC001700834443 1417662532 /nfs/dbraw/zinc/66/25/32/1417662532.db2.gz LLPCHFRLZSGPFX-WBVHZDCISA-N 1 0 334.460 2.509 10 10 EFCERO Oc1ccc(Br)cc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000156080071 1418270167 /nfs/dbraw/zinc/27/01/67/1418270167.db2.gz FEDZGVVUXAGVPL-CQSZACIVSA-N 1 0 325.250 2.825 10 10 EFCERO COCC1(CC(=O)N2CC[C@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)CC1 ZINC001713147406 1418337647 /nfs/dbraw/zinc/33/76/47/1418337647.db2.gz XKRFEXJEQHJDPA-KRWDZBQOSA-N 1 0 346.471 2.511 10 10 EFCERO COC[C@@H](C)C(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001713228072 1418399806 /nfs/dbraw/zinc/39/98/06/1418399806.db2.gz KZLPWIWRMQMKES-AEFFLSMTSA-N 1 0 348.487 2.614 10 10 EFCERO C[C@@H](CCNC(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CC1CC(C)C1 ZINC001713423219 1418518473 /nfs/dbraw/zinc/51/84/73/1418518473.db2.gz LQEWLJVSZSMCJB-MOKVOYLWSA-N 1 0 345.447 2.993 10 10 EFCERO Cc1cc(Br)cc(CN2CCC[C@H]2C[NH+](C)C)c1O ZINC000160964829 1418549139 /nfs/dbraw/zinc/54/91/39/1418549139.db2.gz GRIRZWFMIBDMNE-AWEZNQCLSA-N 1 0 327.266 2.989 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)Cc2ccc(C)o2)cc1C ZINC001713585233 1418561699 /nfs/dbraw/zinc/56/16/99/1418561699.db2.gz QFJHJNXAMNIXMT-UHFFFAOYSA-N 1 0 330.428 2.696 10 10 EFCERO CC[C@H](CNC(=O)Cc1cc(C)on1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001715059665 1418650293 /nfs/dbraw/zinc/65/02/93/1418650293.db2.gz WIVLYFJFBMUPQK-MRXNPFEDSA-N 1 0 345.443 2.527 10 10 EFCERO CC[C@@H]1CCO[C@@H]1C(=O)N(CC)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001715738150 1418681427 /nfs/dbraw/zinc/68/14/27/1418681427.db2.gz CHXAAFGFWWYLJK-MJGOQNOKSA-N 1 0 348.487 2.757 10 10 EFCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)c1ccc(C)n1C ZINC001716206185 1418724976 /nfs/dbraw/zinc/72/49/76/1418724976.db2.gz YBPIXFYYYMHZCT-UHFFFAOYSA-N 1 0 343.471 2.902 10 10 EFCERO CCc1nc(C(=O)N(CC)CC[NH2+]Cc2ccc(OC)c(C)c2)co1 ZINC001716213943 1418725279 /nfs/dbraw/zinc/72/52/79/1418725279.db2.gz NVWDIDUQZNENLX-UHFFFAOYSA-N 1 0 345.443 2.806 10 10 EFCERO CCc1ncoc1C(=O)NC/C=C/C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001716341352 1418785796 /nfs/dbraw/zinc/78/57/96/1418785796.db2.gz IEQOQPGGVFQLOJ-AATRIKPKSA-N 1 0 343.427 2.630 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2cc(Cl)cn2C)cc1C ZINC001716444577 1418885499 /nfs/dbraw/zinc/88/54/99/1418885499.db2.gz INDGNUGWNDDLDN-ZDUSSCGKSA-N 1 0 349.862 2.904 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2coc(C3CC3)n2)cc1C ZINC001716455914 1418890123 /nfs/dbraw/zinc/89/01/23/1418890123.db2.gz OOZXCDLEBAMFQG-ZDUSSCGKSA-N 1 0 343.427 2.777 10 10 EFCERO C[C@H](C[N@@H+](C)CC[C@H](C)F)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001716508030 1418903133 /nfs/dbraw/zinc/90/31/33/1418903133.db2.gz IGDCJXSJBMVDJF-NWDGAFQWSA-N 1 0 337.399 2.647 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](NC(=O)c2ccns2)C2CC2)cc1C ZINC001716613239 1418925040 /nfs/dbraw/zinc/92/50/40/1418925040.db2.gz VCFVUZXTJUHBFX-HNNXBMFYSA-N 1 0 345.468 2.758 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)c3c(C)noc3C)CC2)cc1C ZINC001716675699 1418955042 /nfs/dbraw/zinc/95/50/42/1418955042.db2.gz RTBAEVBZROUDMJ-UHFFFAOYSA-N 1 0 343.427 2.661 10 10 EFCERO CCCCC(=O)N1CCC(O)(C[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001717316849 1419326446 /nfs/dbraw/zinc/32/64/46/1419326446.db2.gz QSJRUXYCVUSNDU-UHFFFAOYSA-N 1 0 348.487 2.637 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2c[nH]cc2C)cc1C ZINC001717753381 1419535943 /nfs/dbraw/zinc/53/59/43/1419535943.db2.gz CTXCIFGLZRYEDC-HNNXBMFYSA-N 1 0 329.444 2.890 10 10 EFCERO COCCCC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001724520416 1424779150 /nfs/dbraw/zinc/77/91/50/1424779150.db2.gz UTRTUMVXJPXQEF-AEFFLSMTSA-N 1 0 348.487 2.757 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2nocc2C)cc1C ZINC001725119005 1425312624 /nfs/dbraw/zinc/31/26/24/1425312624.db2.gz LCHVFVXLVLQICK-KBPBESRZSA-N 1 0 331.416 2.597 10 10 EFCERO CC[NH2+][C@@H](CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1)C(C)C ZINC001725212069 1425381181 /nfs/dbraw/zinc/38/11/81/1425381181.db2.gz GKAZCVUZQTYVQS-HNNXBMFYSA-N 1 0 333.436 2.945 10 10 EFCERO C[C@@H]1C[C@@H]([NH2+]C/C=C/Cl)CN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001725580876 1425666108 /nfs/dbraw/zinc/66/61/08/1425666108.db2.gz ADKSOIOVYHVDBR-IWIXKGEHSA-N 1 0 349.822 2.794 10 10 EFCERO C[C@H]1C[C@@H](C(=O)NCc2cc(Br)ccc2O)CC[N@@H+]1C ZINC000804740961 713457019 /nfs/dbraw/zinc/45/70/19/713457019.db2.gz QQYXRBBNGSEARY-QWRGUYRKSA-N 1 0 341.249 2.501 10 10 EFCERO CC[C@](C)(O)C[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848528303 715268946 /nfs/dbraw/zinc/26/89/46/715268946.db2.gz KSQXWQROTCTKAL-XPTSAGLGSA-N 1 0 332.238 2.975 10 10 EFCERO COc1ccc(N2CC[NH+](CCCCn3ccnc3C)CC2)cc1 ZINC000161275240 715512097 /nfs/dbraw/zinc/51/20/97/715512097.db2.gz HBIPPPYXIMRUOE-UHFFFAOYSA-N 1 0 328.460 2.803 10 10 EFCERO COC(=O)c1c(C[NH2+]C[C@H]2CC[C@H](C)O2)c2cc(F)ccc2n1C ZINC000894969618 723038719 /nfs/dbraw/zinc/03/87/19/723038719.db2.gz JDSJGQHLGDJUDW-WCQYABFASA-N 1 0 334.391 2.761 10 10 EFCERO Oc1ccccc1C[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000179561028 717781064 /nfs/dbraw/zinc/78/10/64/717781064.db2.gz VLPJWRAMTZXCLL-UHFFFAOYSA-N 1 0 348.244 2.872 10 10 EFCERO Oc1ccccc1C[NH+]1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000179577392 717794379 /nfs/dbraw/zinc/79/43/79/717794379.db2.gz XJXVATFWOMEQRT-UHFFFAOYSA-N 1 0 348.450 2.896 10 10 EFCERO CC(C)O[C@]1(C[NH2+]Cc2cc(Br)ccc2O)CCOC1 ZINC000722340302 717826610 /nfs/dbraw/zinc/82/66/10/717826610.db2.gz QUTLJVSBVGVIMW-HNNXBMFYSA-N 1 0 344.249 2.828 10 10 EFCERO Cc1cc(N(C)C)ccc1C[N@@H+]1CCCC[C@@H]1CCS(C)(=O)=O ZINC000840947221 718059750 /nfs/dbraw/zinc/05/97/50/718059750.db2.gz FFCOWPYCQOEPJH-QGZVFWFLSA-N 1 0 338.517 2.850 10 10 EFCERO COC[C@@H]1CCC[N@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)OC)C1 ZINC000894021622 720223702 /nfs/dbraw/zinc/22/37/02/720223702.db2.gz ODDWXGRJBFTRKY-CYBMUJFWSA-N 1 0 348.418 2.962 10 10 EFCERO COC(=O)c1c(C[N@@H+]2CC[C@]3(CCOC3)C2)c2cc(F)ccc2n1C ZINC000894083550 720263658 /nfs/dbraw/zinc/26/36/58/720263658.db2.gz JEHSKTGPIBCGOO-IBGZPJMESA-N 1 0 346.402 2.716 10 10 EFCERO COC(=O)c1c(C[NH2+]CCc2cccnc2)c2cc(F)ccc2n1C ZINC000894170513 721122707 /nfs/dbraw/zinc/12/27/07/721122707.db2.gz VFMRBNWKDLNAFT-UHFFFAOYSA-N 1 0 341.386 2.831 10 10 EFCERO COC(=O)c1c(C[NH2+]CC2CCOCC2)c2cc(F)ccc2n1C ZINC000894216228 721279653 /nfs/dbraw/zinc/27/96/53/721279653.db2.gz KTJGODQAQXTERQ-UHFFFAOYSA-N 1 0 334.391 2.620 10 10 EFCERO CC[C@@H]1[C@@H](C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC[N@@H+]1C ZINC000866898940 721717504 /nfs/dbraw/zinc/71/75/04/721717504.db2.gz ATPSDZOHEVFVOU-OKZBNKHCSA-N 1 0 346.471 2.630 10 10 EFCERO COc1cc(C)cc(C[NH2+][C@H]2CCCN(c3cc(C)nn3C)C2)c1O ZINC000894574806 722786048 /nfs/dbraw/zinc/78/60/48/722786048.db2.gz YHDUDPPCEPXFPO-INIZCTEOSA-N 1 0 344.459 2.510 10 10 EFCERO COC(=O)c1c(C[NH+]2CCC3(CCO3)CC2)c2cc(F)ccc2n1C ZINC000894673589 722812378 /nfs/dbraw/zinc/81/23/78/722812378.db2.gz XQZVWVBMQHZUDF-UHFFFAOYSA-N 1 0 346.402 2.859 10 10 EFCERO COC(=O)c1c(C[NH2+]C[C@@H](OC)C2CC2)c2cc(F)ccc2n1C ZINC000894861272 722911791 /nfs/dbraw/zinc/91/17/91/722911791.db2.gz DDGSJIALIADTAB-MRXNPFEDSA-N 1 0 334.391 2.619 10 10 EFCERO COC(=O)c1c(C[NH2+]CC[C@H](C)CCO)c2cc(F)ccc2n1C ZINC000894870965 722928208 /nfs/dbraw/zinc/92/82/08/722928208.db2.gz QXKKYSCFMIKKCR-LBPRGKRZSA-N 1 0 336.407 2.602 10 10 EFCERO COC(=O)c1c(C[NH2+][C@@H](C)CCCCO)c2cc(F)ccc2n1C ZINC000894880078 722936794 /nfs/dbraw/zinc/93/67/94/722936794.db2.gz CFSOBNNNYMHCDU-LBPRGKRZSA-N 1 0 336.407 2.745 10 10 EFCERO COCC[C@H](C)C[NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894991574 723044038 /nfs/dbraw/zinc/04/40/38/723044038.db2.gz SKZYCGSRMAKDBC-LBPRGKRZSA-N 1 0 336.407 2.866 10 10 EFCERO C[N@H+](CCNC(=O)c1cc2cc(O)c(O)cc2s1)C1CCCC1 ZINC000896184126 723178971 /nfs/dbraw/zinc/17/89/71/723178971.db2.gz MAIIVGUOJIGQLA-UHFFFAOYSA-N 1 0 334.441 2.917 10 10 EFCERO C[C@H]1C[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C[N@@H+]1C1CC1 ZINC000896899584 723802089 /nfs/dbraw/zinc/80/20/89/723802089.db2.gz UJFBWDAWKAELIB-ONGXEEELSA-N 1 0 332.425 2.668 10 10 EFCERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCCSc1nccs1 ZINC000154665455 728851438 /nfs/dbraw/zinc/85/14/38/728851438.db2.gz CJJNBLXNYWHYET-CYBMUJFWSA-N 1 0 342.534 2.751 10 10 EFCERO COC(=O)c1cc(C[NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)cs1 ZINC000895229135 723891263 /nfs/dbraw/zinc/89/12/63/723891263.db2.gz SCVXQUOKHYRWIE-AWEZNQCLSA-N 1 0 346.452 2.912 10 10 EFCERO Cc1cc(O)c(C[NH2+]CCN2C[C@@H]3CCCCN3C2=O)cc1Cl ZINC000895346391 724054327 /nfs/dbraw/zinc/05/43/27/724054327.db2.gz RQBFKGJROZECPS-AWEZNQCLSA-N 1 0 337.851 2.734 10 10 EFCERO O=C1N(CC[NH2+]Cc2ccc3ccccc3c2O)C[C@H]2CCCCN12 ZINC000895346972 724054458 /nfs/dbraw/zinc/05/44/58/724054458.db2.gz XGWYHDWCYYPOFL-QGZVFWFLSA-N 1 0 339.439 2.925 10 10 EFCERO COCc1ncc2c(n1)CC[N@@H+](C/C=C/c1ccc(N(C)C)cc1)C2 ZINC000895416938 724125119 /nfs/dbraw/zinc/12/51/19/724125119.db2.gz ICMXZKBUYGHRPL-SNAWJCMRSA-N 1 0 338.455 2.761 10 10 EFCERO C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H](c4nccs4)C3)cc2)CC1 ZINC000895581806 724212102 /nfs/dbraw/zinc/21/21/02/724212102.db2.gz OKSNCEGDILIERB-KRWDZBQOSA-N 1 0 342.512 2.884 10 10 EFCERO CCOC(=O)CC(C)(C)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000895607369 724221786 /nfs/dbraw/zinc/22/17/86/724221786.db2.gz NXJIKECYOOCWJG-UHFFFAOYSA-N 1 0 347.503 2.507 10 10 EFCERO Cn1ccnc1C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000727645123 724283621 /nfs/dbraw/zinc/28/36/21/724283621.db2.gz YYJKVXQDDINZOD-UHFFFAOYSA-N 1 0 336.386 2.780 10 10 EFCERO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CC[C@@]3(CO[C@H](C)C3)O2)c1O ZINC000895818513 724331249 /nfs/dbraw/zinc/33/12/49/724331249.db2.gz DJAIORHDDFKEFP-HYSWKAIVSA-N 1 0 341.835 2.870 10 10 EFCERO COc1cc(C)cc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)[C@H]3C)O2)c1O ZINC000895819903 724331604 /nfs/dbraw/zinc/33/16/04/724331604.db2.gz LPRXETXCBJYBSD-GTACMHHNSA-N 1 0 335.444 2.771 10 10 EFCERO COc1cc(C)cc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)[C@@H]3C)O2)c1O ZINC000895819906 724331783 /nfs/dbraw/zinc/33/17/83/724331783.db2.gz LPRXETXCBJYBSD-QMYADUOMSA-N 1 0 335.444 2.771 10 10 EFCERO OC1CCN(c2ccc(C[N@@H+]3CC[C@H]([C@H]4CCCO4)C3)cc2)CC1 ZINC000895846999 724347915 /nfs/dbraw/zinc/34/79/15/724347915.db2.gz XVLRSBCBMOEHCE-FXAWDEMLSA-N 1 0 330.472 2.649 10 10 EFCERO COC(=O)N[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000895850504 724350642 /nfs/dbraw/zinc/35/06/42/724350642.db2.gz LXPHALILWGPDED-KRWDZBQOSA-N 1 0 326.396 2.990 10 10 EFCERO COC[C@@H]([NH2+]Cc1ccc(Br)cc1O)[C@H]1CCCOC1 ZINC000895859156 724355604 /nfs/dbraw/zinc/35/56/04/724355604.db2.gz MYOPJZZQUZXPKE-GXTWGEPZSA-N 1 0 344.249 2.686 10 10 EFCERO Cc1cc(C(=O)CN2C[C@H]3C[NH2+]C[C@H]3C2)c(C)n1-c1ccc(F)cc1 ZINC000728914423 724884912 /nfs/dbraw/zinc/88/49/12/724884912.db2.gz SQDQKNSGYDEPJR-IYBDPMFKSA-N 1 0 341.430 2.567 10 10 EFCERO C[NH+]1CCN(c2ccc(CNC(=O)C3(C4CC4)CCC3)cc2)CC1 ZINC000918906568 728941062 /nfs/dbraw/zinc/94/10/62/728941062.db2.gz PLEVMSACTOEPMR-UHFFFAOYSA-N 1 0 327.472 2.635 10 10 EFCERO CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCC[N@H+](C)C2)cc1F ZINC000731403230 726858526 /nfs/dbraw/zinc/85/85/26/726858526.db2.gz HKSVAUOJCQIILJ-OAHLLOKOSA-N 1 0 336.455 2.565 10 10 EFCERO O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000731451251 726870938 /nfs/dbraw/zinc/87/09/38/726870938.db2.gz HOAHKXFLRKLVNY-GOSISDBHSA-N 1 0 339.439 2.791 10 10 EFCERO Cn1nccc1C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000915228714 726906964 /nfs/dbraw/zinc/90/69/64/726906964.db2.gz VTINFJJFKCRAOZ-UHFFFAOYSA-N 1 0 329.404 2.608 10 10 EFCERO COC(=O)c1cc(CN(C)c2ccc(OCC[NH+](C)C)cc2)c(C)o1 ZINC000732410473 727072506 /nfs/dbraw/zinc/07/25/06/727072506.db2.gz BHURCCCRYIAALB-UHFFFAOYSA-N 1 0 346.427 2.951 10 10 EFCERO CCN(CC)c1ccc(CNC(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000732450257 727083806 /nfs/dbraw/zinc/08/38/06/727083806.db2.gz PXTLOEAVOILBPX-LJQANCHMSA-N 1 0 344.503 2.911 10 10 EFCERO CC[N@@H+]1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)[C@@H](C)C1 ZINC000910266326 727425143 /nfs/dbraw/zinc/42/51/43/727425143.db2.gz LRNXYTJPGFOZIU-NSHDSACASA-N 1 0 334.441 2.869 10 10 EFCERO C[C@@]1(NC(=O)c2cc3cc(O)c(O)cc3s2)C[NH+]2CCC1CC2 ZINC000912375492 727703341 /nfs/dbraw/zinc/70/33/41/727703341.db2.gz XFOCTFHWFTUIAL-QGZVFWFLSA-N 1 0 332.425 2.527 10 10 EFCERO Cc1nsc(N2CCC[N@H+](Cc3cc4c(cc3O)CCC4)CC2)n1 ZINC000173410930 728625286 /nfs/dbraw/zinc/62/52/86/728625286.db2.gz SQZDIAGHZDLFMP-UHFFFAOYSA-N 1 0 344.484 2.753 10 10 EFCERO C[N@H+](CCNC(=O)NCc1c(O)cccc1F)Cc1ccc(F)cc1 ZINC000921320831 729287658 /nfs/dbraw/zinc/28/76/58/729287658.db2.gz UASJUONLQBUPCO-UHFFFAOYSA-N 1 0 349.381 2.602 10 10 EFCERO Cc1ccccc1CC(=O)N1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000179939231 729653484 /nfs/dbraw/zinc/65/34/84/729653484.db2.gz QAFNSRRTDVTTEW-UHFFFAOYSA-N 1 0 338.451 2.896 10 10 EFCERO CCOc1ccc(O)c(C[NH2+][C@@](C)(CO)Cc2ccc(OC)cc2)c1 ZINC000873190538 1126117831 /nfs/dbraw/zinc/11/78/31/1126117831.db2.gz AQHZEZOZYZQCDG-HXUWFJFHSA-N 1 0 345.439 2.883 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)C[C@@H]3CCCCO3)CC2)cc1C ZINC001569394709 1085176107 /nfs/dbraw/zinc/17/61/07/1085176107.db2.gz PHEFGQKLXXKTFT-KRWDZBQOSA-N 1 0 346.471 2.701 10 10 EFCERO COc1ccc(C[NH2+]CC[C@@H]2CCN(C(=O)[C@H]3CCCO3)C2)cc1C ZINC001569962956 1085791112 /nfs/dbraw/zinc/79/11/12/1085791112.db2.gz SFHXRJXUEHGYQT-VQIMIIECSA-N 1 0 346.471 2.511 10 10 EFCERO CCCC[NH2+][C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC001570366132 1086172131 /nfs/dbraw/zinc/17/21/31/1086172131.db2.gz QLNXUKRHPZWCJF-DOMZBBRYSA-N 1 0 331.420 2.699 10 10 EFCERO COc1ccc(N2CC[C@@H](CNC(=O)C3([NH+](C)C)CCCC3)C2)cc1 ZINC001570565412 1086367897 /nfs/dbraw/zinc/36/78/97/1086367897.db2.gz NQKMVXQCYUGFDK-INIZCTEOSA-N 1 0 345.487 2.512 10 10 EFCERO CCc1n[nH]cc1C(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001570613668 1086409166 /nfs/dbraw/zinc/40/91/66/1086409166.db2.gz DJIDHDFNYVFEAI-UONOGXRCSA-N 1 0 344.459 2.586 10 10 EFCERO CCc1n[nH]cc1C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001570613667 1086409281 /nfs/dbraw/zinc/40/92/81/1086409281.db2.gz DJIDHDFNYVFEAI-KGLIPLIRSA-N 1 0 344.459 2.586 10 10 EFCERO CC[C@@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001571198137 1086676017 /nfs/dbraw/zinc/67/60/17/1086676017.db2.gz XXAKLTVIOBHAIO-XJKCOSOUSA-N 1 0 345.447 2.993 10 10 EFCERO CC(C)=CC[NH2+][C@@H](C)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001571419700 1086798323 /nfs/dbraw/zinc/79/83/23/1086798323.db2.gz WFVOZSKKUKOHFE-ZDUSSCGKSA-N 1 0 331.420 2.865 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CC[C@H](C[NH2+]CCCF)C2)cc1 ZINC001571549310 1086953951 /nfs/dbraw/zinc/95/39/51/1086953951.db2.gz ABSYMYDLGGOZDB-SWLSCSKDSA-N 1 0 349.410 2.697 10 10 EFCERO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCC[C@H](C)[NH+](C)C ZINC001584196732 1092124958 /nfs/dbraw/zinc/12/49/58/1092124958.db2.gz YNUKBCDFUMIPFG-AWEZNQCLSA-N 1 0 341.455 2.977 10 10 EFCERO COc1ccc(C[NH2+]C[C@@]2(C)CCN(C(=O)C(C)(F)F)C2)cc1C ZINC001649453409 1092482585 /nfs/dbraw/zinc/48/25/85/1092482585.db2.gz CXRSKSZIEBLXCF-QGZVFWFLSA-N 1 0 340.414 2.987 10 10 EFCERO COc1ccc(C[NH2+]C[C@]2(C)CCN(C(=O)C(C)(F)F)C2)cc1C ZINC001649453407 1092482692 /nfs/dbraw/zinc/48/26/92/1092482692.db2.gz CXRSKSZIEBLXCF-KRWDZBQOSA-N 1 0 340.414 2.987 10 10 EFCERO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCOc3cc(N(C)C)ccc32)C1 ZINC001586831818 1092761786 /nfs/dbraw/zinc/76/17/86/1092761786.db2.gz DNHAHEZAIWWWOX-OAHLLOKOSA-N 1 0 331.460 2.600 10 10 EFCERO Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)c(O)c1O ZINC001587534536 1092819336 /nfs/dbraw/zinc/81/93/36/1092819336.db2.gz QGHPCOMSSWIZPZ-OAHLLOKOSA-N 1 0 332.444 2.933 10 10 EFCERO Cc1cc(CC(=O)N2CC[NH2+]C(C)(C)C2)c(C)n1-c1ccccc1 ZINC001587746631 1092847117 /nfs/dbraw/zinc/84/71/17/1092847117.db2.gz AONCUUAPXQXUIJ-UHFFFAOYSA-N 1 0 325.456 2.847 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2ocnc2C)cc1C ZINC001267128277 1092850609 /nfs/dbraw/zinc/85/06/09/1092850609.db2.gz QSKBESJJZSFAQS-CYBMUJFWSA-N 1 0 331.416 2.598 10 10 EFCERO CCO[C@H](CNC(=O)c1sccc1-n1c(C)ccc1C)C[NH+](C)C ZINC001595150971 1094455328 /nfs/dbraw/zinc/45/53/28/1094455328.db2.gz SSXLAACMZSJQQQ-OAHLLOKOSA-N 1 0 349.500 2.852 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)cc1C ZINC001267396374 1094479719 /nfs/dbraw/zinc/47/97/19/1094479719.db2.gz TXDKYJJTQCJWLY-KURKYZTESA-N 1 0 330.472 2.988 10 10 EFCERO COCC[N@H+](Cc1cc(OC)cc(C(C)(C)C)c1O)[C@@H]1CCOC1 ZINC000782963702 1094591659 /nfs/dbraw/zinc/59/16/59/1094591659.db2.gz SNMUEDYRPQGWDF-OAHLLOKOSA-N 1 0 337.460 2.936 10 10 EFCERO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001597800137 1094626195 /nfs/dbraw/zinc/62/61/95/1094626195.db2.gz ICRRLUUCQUJURO-APWZRJJASA-N 1 0 331.504 2.981 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)c2coc(C)n2)cc1C ZINC001268059167 1095100697 /nfs/dbraw/zinc/10/06/97/1095100697.db2.gz LHRMLUOLVRCQDN-ZDUSSCGKSA-N 1 0 331.416 2.550 10 10 EFCERO CC[C@@H](F)CN(CCNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001481199138 1095277117 /nfs/dbraw/zinc/27/71/17/1095277117.db2.gz FREQQOKKYXYAOK-CYBMUJFWSA-N 1 0 349.410 2.791 10 10 EFCERO CC[NH2+][C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)c1ccccc1 ZINC001267525621 1095292987 /nfs/dbraw/zinc/29/29/87/1095292987.db2.gz HBRAITPTJKWZBG-INIZCTEOSA-N 1 0 339.399 2.930 10 10 EFCERO C[N@H+](CCCF)C[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001267597381 1096132187 /nfs/dbraw/zinc/13/21/87/1096132187.db2.gz WHMIFYPGZFKCNE-ZDUSSCGKSA-N 1 0 349.410 2.603 10 10 EFCERO CCn1nccc1C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001268357594 1096386747 /nfs/dbraw/zinc/38/67/47/1096386747.db2.gz RZGXECTUEQVTQU-HNNXBMFYSA-N 1 0 344.459 2.518 10 10 EFCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCCOCC2)cc1C ZINC001268359511 1096388274 /nfs/dbraw/zinc/38/82/74/1096388274.db2.gz QMPGWFFNPJSGNI-SJLPKXTDSA-N 1 0 348.487 2.805 10 10 EFCERO CC[C@@H](CNC(=O)c1ccncc1F)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001481796557 1096714101 /nfs/dbraw/zinc/71/41/01/1096714101.db2.gz FIAIEKVXMZFEPF-HNNXBMFYSA-N 1 0 345.418 2.836 10 10 EFCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)Cc1cscn1 ZINC001268481283 1096914960 /nfs/dbraw/zinc/91/49/60/1096914960.db2.gz ABISONBPOZPDTF-UHFFFAOYSA-N 1 0 347.484 2.641 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@H]2CCCOCC2)cc1C ZINC001482097121 1097259463 /nfs/dbraw/zinc/25/94/63/1097259463.db2.gz SPFOHYPKJXZOQP-YJBOKZPZSA-N 1 0 348.487 2.662 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2sc(C)nc2C)cc1C ZINC001268714575 1097562794 /nfs/dbraw/zinc/56/27/94/1097562794.db2.gz IOCGOOGNGJMGJZ-LBPRGKRZSA-N 1 0 347.484 2.985 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)cc1C ZINC001268717964 1097566767 /nfs/dbraw/zinc/56/67/67/1097566767.db2.gz PQNPJZFULBBGKL-VKBWYVHWSA-N 1 0 342.483 2.890 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCCC[C@H]2C[NH2+]CCF)cc1 ZINC001268771857 1097616333 /nfs/dbraw/zinc/61/63/33/1097616333.db2.gz UYVUAWGKHONUGM-DZGCQCFKSA-N 1 0 349.410 2.697 10 10 EFCERO COc1ccc(C[NH2+]CCCN(C)C(=O)c2cnccc2C)cc1C ZINC001268786429 1097630881 /nfs/dbraw/zinc/63/08/81/1097630881.db2.gz REGDWSCTCSYBLH-UHFFFAOYSA-N 1 0 341.455 2.959 10 10 EFCERO COCC1(C(=O)NCC2([NH2+]Cc3ccc(OC)c(C)c3)CC2)CCC1 ZINC001269450991 1098147756 /nfs/dbraw/zinc/14/77/56/1098147756.db2.gz IXCKOWNMIRGYPN-UHFFFAOYSA-N 1 0 346.471 2.559 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@]34C[C@H]3CCC4)CC2)cc1C ZINC001269455342 1098150050 /nfs/dbraw/zinc/15/00/50/1098150050.db2.gz HZXOPKHMOHBUPP-OXQOHEQNSA-N 1 0 328.456 2.932 10 10 EFCERO CC[C@H](CNC(=O)c1[nH]c(C)nc1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001269470914 1098164463 /nfs/dbraw/zinc/16/44/63/1098164463.db2.gz BHDPTKMXXVVWER-MRXNPFEDSA-N 1 0 344.459 2.642 10 10 EFCERO CC[C@H](F)C[NH2+][C@@H](CC)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001269514750 1098202669 /nfs/dbraw/zinc/20/26/69/1098202669.db2.gz BBPMLCXQLVLPJR-STQMWFEESA-N 1 0 337.399 2.695 10 10 EFCERO C[C@](C[NH2+]CC1CC1)(NC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001269652092 1098331483 /nfs/dbraw/zinc/33/14/83/1098331483.db2.gz OINMMNCQOYMRIJ-GOSISDBHSA-N 1 0 343.431 2.747 10 10 EFCERO CC[NH2+]CC[C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001269805121 1098454558 /nfs/dbraw/zinc/45/45/58/1098454558.db2.gz QTRZUTVSXNTOOX-CYBMUJFWSA-N 1 0 331.420 2.701 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)c2ccncc2C)cc1C ZINC001481227830 1098609177 /nfs/dbraw/zinc/60/91/77/1098609177.db2.gz GTDMAEGWCINSMM-UHFFFAOYSA-N 1 0 327.428 2.569 10 10 EFCERO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)COCC2CC2)cc1C ZINC001270178235 1098767220 /nfs/dbraw/zinc/76/72/20/1098767220.db2.gz RIWHSGBHMIHIIY-GOSISDBHSA-N 1 0 346.471 2.511 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)CC2CCOCC2)cc1C ZINC001267982529 1099068825 /nfs/dbraw/zinc/06/88/25/1099068825.db2.gz VYTVZXWNWFINIY-OAHLLOKOSA-N 1 0 348.487 2.662 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)C2CC(F)(F)C2)cc1C ZINC001267983639 1099071984 /nfs/dbraw/zinc/07/19/84/1099071984.db2.gz KKWNKSQCWFTZSY-GFCCVEGCSA-N 1 0 340.414 2.891 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2cccnc2C)cc1C ZINC001267999894 1099125180 /nfs/dbraw/zinc/12/51/80/1099125180.db2.gz ZXAJDTOLCIJWJJ-AWEZNQCLSA-N 1 0 341.455 2.863 10 10 EFCERO CC1CC(C[NH2+]CCN(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001481322256 1099295306 /nfs/dbraw/zinc/29/53/06/1099295306.db2.gz UQFXSUHKLRRQTF-UHFFFAOYSA-N 1 0 331.420 2.557 10 10 EFCERO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001618593428 1099306570 /nfs/dbraw/zinc/30/65/70/1099306570.db2.gz KFZULJHGXBKPRU-HUUCEWRRSA-N 1 0 331.460 2.598 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)c2ncccc2F)cc1C ZINC001482342446 1099699050 /nfs/dbraw/zinc/69/90/50/1099699050.db2.gz BNJLRESJNZGGMO-AWEZNQCLSA-N 1 0 345.418 2.788 10 10 EFCERO CC1CC[NH+](C[C@H]2CCCN(C(=O)Cc3ccc(O)c(O)c3)C2)CC1 ZINC001627156886 1099962484 /nfs/dbraw/zinc/96/24/84/1099962484.db2.gz JDJCEEBAMGAYIA-QGZVFWFLSA-N 1 0 346.471 2.611 10 10 EFCERO COc1ccc(N(C)CCN(C)C(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC001628468863 1100105649 /nfs/dbraw/zinc/10/56/49/1100105649.db2.gz NAPGOISVLVQGBT-IXDOHACOSA-N 1 0 347.503 2.851 10 10 EFCERO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2cccc(O)c2O)CC1 ZINC001630168477 1100281371 /nfs/dbraw/zinc/28/13/71/1100281371.db2.gz VPRBGUHDKZRSPH-UHFFFAOYSA-N 1 0 340.423 2.834 10 10 EFCERO C=C/C=C\CC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC001630718749 1100333778 /nfs/dbraw/zinc/33/37/78/1100333778.db2.gz KYXPDSHSSSZMMM-ARJAWSKDSA-N 1 0 339.483 2.967 10 10 EFCERO COc1cccc(CNC(=O)c2ccc(C[NH+]3CCCC3)o2)c1O ZINC001631543319 1100408544 /nfs/dbraw/zinc/40/85/44/1100408544.db2.gz SXTYWVUZSWXJQK-UHFFFAOYSA-N 1 0 330.384 2.520 10 10 EFCERO CC[C@H](C)CONC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001635635689 1100671103 /nfs/dbraw/zinc/67/11/03/1100671103.db2.gz RKBVPTKTBPEXEV-WMLDXEAASA-N 1 0 336.480 2.632 10 10 EFCERO CC[C@H](C)CONC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001635635690 1100672210 /nfs/dbraw/zinc/67/22/10/1100672210.db2.gz RKBVPTKTBPEXEV-YOEHRIQHSA-N 1 0 336.480 2.632 10 10 EFCERO Cc1cc(CNC(=O)NCC2([NH+](C)C)CC2)c(C)n1-c1ccccc1 ZINC001636460594 1100720063 /nfs/dbraw/zinc/72/00/63/1100720063.db2.gz FSOGXWHEYIROSS-UHFFFAOYSA-N 1 0 340.471 2.988 10 10 EFCERO CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1 ZINC001636657684 1100731997 /nfs/dbraw/zinc/73/19/97/1100731997.db2.gz SMBNVGKODANQKJ-IBGZPJMESA-N 1 0 339.439 2.731 10 10 EFCERO CN(C)c1ccc([C@H](CNC(=O)c2ccc(F)c(O)c2)[NH+](C)C)cc1 ZINC001637004777 1100750378 /nfs/dbraw/zinc/75/03/78/1100750378.db2.gz OXROBPJKSSQBOY-KRWDZBQOSA-N 1 0 345.418 2.630 10 10 EFCERO C[NH+]1CCN(c2ccc(CNC(=O)NC3C(C)(C)C3(C)C)cc2)CC1 ZINC001638007237 1100825288 /nfs/dbraw/zinc/82/52/88/1100825288.db2.gz IQKKYEXEGUKCEB-UHFFFAOYSA-N 1 0 344.503 2.672 10 10 EFCERO C[NH+](C)CCc1cccc(C(=O)NCc2ccc3cccnc3c2O)c1 ZINC001639625022 1100967791 /nfs/dbraw/zinc/96/77/91/1100967791.db2.gz UMDVZUDXFLCCLZ-UHFFFAOYSA-N 1 0 349.434 2.975 10 10 EFCERO COC(=O)COc1ccc(N(C)C[C@@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001642689739 1101232587 /nfs/dbraw/zinc/23/25/87/1101232587.db2.gz UMFCJNJIZHJDLP-KRWDZBQOSA-N 1 0 334.460 2.938 10 10 EFCERO O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC001642913234 1101255653 /nfs/dbraw/zinc/25/56/53/1101255653.db2.gz ORDFKURVYTWLBD-INIZCTEOSA-N 1 0 332.444 2.554 10 10 EFCERO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001642997399 1101263048 /nfs/dbraw/zinc/26/30/48/1101263048.db2.gz AMDLBSVSZTYLAG-LPHOPBHVSA-N 1 0 331.504 2.983 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](CC(C)C)NC(=O)C(F)F)cc1C ZINC001271239821 1101313795 /nfs/dbraw/zinc/31/37/95/1101313795.db2.gz YRPXAXZYAOZBOS-CQSZACIVSA-N 1 0 328.403 2.889 10 10 EFCERO c1[nH]nc(-c2cccnc2)c1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000067222147 1101502376 /nfs/dbraw/zinc/50/23/76/1101502376.db2.gz TZUPPDCFJOPOPB-UHFFFAOYSA-N 1 0 349.438 2.598 10 10 EFCERO CCC[C@@H](O)C[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000848530716 1101526802 /nfs/dbraw/zinc/52/68/02/1101526802.db2.gz JRRBEKKWTHTZDJ-MWLCHTKSSA-N 1 0 332.238 2.975 10 10 EFCERO CCC[C@H](O)C[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000848530714 1101527110 /nfs/dbraw/zinc/52/71/10/1101527110.db2.gz JRRBEKKWTHTZDJ-KOLCDFICSA-N 1 0 332.238 2.975 10 10 EFCERO Cc1cc(C[N@@H+]2CCN(CCO)C(C)(C)C2)ccc1N1CCCCC1 ZINC001654169467 1101688180 /nfs/dbraw/zinc/68/81/80/1101688180.db2.gz PZBMJVPZBQPJIK-UHFFFAOYSA-N 1 0 345.531 2.874 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CSC(C)C)C2)cc1C ZINC001266668482 1101756006 /nfs/dbraw/zinc/75/60/06/1101756006.db2.gz WOPXLMOEMANIQX-IYBDPMFKSA-N 1 0 336.501 2.882 10 10 EFCERO CN1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H]1C(C)(C)C ZINC001654907575 1101769481 /nfs/dbraw/zinc/76/94/81/1101769481.db2.gz UOZOLLHCNYNKPI-LJQANCHMSA-N 1 0 331.504 2.685 10 10 EFCERO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001655349654 1101812685 /nfs/dbraw/zinc/81/26/85/1101812685.db2.gz OAVUYAJZAXEUGZ-NWDGAFQWSA-N 1 0 329.356 2.978 10 10 EFCERO C[C@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001655349655 1101813713 /nfs/dbraw/zinc/81/37/13/1101813713.db2.gz OAVUYAJZAXEUGZ-RYUDHWBXSA-N 1 0 329.356 2.978 10 10 EFCERO CC[C@H](C)OCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001266678683 1101856246 /nfs/dbraw/zinc/85/62/46/1101856246.db2.gz LJBWNMFLDFGSGR-BHYGNILZSA-N 1 0 334.460 2.556 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)c2ccn(C(C)C)n2)cc1C ZINC001266850404 1102436701 /nfs/dbraw/zinc/43/67/01/1102436701.db2.gz DXWYTZGXGYDPOT-UHFFFAOYSA-N 1 0 344.459 2.643 10 10 EFCERO CCN(C)c1ccc(C[N@H+](CCN2CCOCC2)CC2CC2)cc1 ZINC001659552290 1102548134 /nfs/dbraw/zinc/54/81/34/1102548134.db2.gz ODDQOOBWSQGXBH-UHFFFAOYSA-N 1 0 331.504 2.687 10 10 EFCERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2ocnc2C)C(C)C)cc1C ZINC001482520541 1102553486 /nfs/dbraw/zinc/55/34/86/1102553486.db2.gz MNSCMGVIJCENQS-INIZCTEOSA-N 1 0 345.443 2.844 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)c2ccc[nH]2)C2CC2)cc1C ZINC001670443049 1102630947 /nfs/dbraw/zinc/63/09/47/1102630947.db2.gz HKEMCMFCYCWONZ-QGZVFWFLSA-N 1 0 327.428 2.630 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2ccc(C)c(C)n2)cc1C ZINC001266953871 1102763611 /nfs/dbraw/zinc/76/36/11/1102763611.db2.gz LNKXNOTUWSRZPN-HNNXBMFYSA-N 1 0 341.455 2.924 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2ccc(C)c(C)n2)cc1C ZINC001266953872 1102764379 /nfs/dbraw/zinc/76/43/79/1102764379.db2.gz LNKXNOTUWSRZPN-OAHLLOKOSA-N 1 0 341.455 2.924 10 10 EFCERO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](c3cn(C)nn3)C2)c1O ZINC001660591847 1102871640 /nfs/dbraw/zinc/87/16/40/1102871640.db2.gz KLWYXKRFVJGMMK-GFCCVEGCSA-N 1 0 348.834 2.756 10 10 EFCERO COCCCC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001661904700 1103498814 /nfs/dbraw/zinc/49/88/14/1103498814.db2.gz QJAROCHIRXDDIZ-GOSISDBHSA-N 1 0 348.487 2.901 10 10 EFCERO COc1cc(O)c(C[N@@H+]2CCC[C@@H](c3ccn(C)n3)C2)cc1OC ZINC000905715564 1103527826 /nfs/dbraw/zinc/52/78/26/1103527826.db2.gz IEYQENLAIJOGRZ-CYBMUJFWSA-N 1 0 331.416 2.523 10 10 EFCERO Oc1cc2c(cc1C[N@@H+]1CCC[C@H](Cc3nccs3)C1)[C@@H](O)CO2 ZINC000905732954 1103569310 /nfs/dbraw/zinc/56/93/10/1103569310.db2.gz CUXGOMPBVXWTHL-WBMJQRKESA-N 1 0 346.452 2.729 10 10 EFCERO CCCc1n[nH]cc1C(=O)NC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001662268100 1103641656 /nfs/dbraw/zinc/64/16/56/1103641656.db2.gz CGFOFZQVJXGXPN-AWEZNQCLSA-N 1 0 344.459 2.587 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2cc(Cl)no2)cc1C ZINC001662395370 1103683790 /nfs/dbraw/zinc/68/37/90/1103683790.db2.gz UYXJYHATOMXIHV-LLVKDONJSA-N 1 0 337.807 2.553 10 10 EFCERO C[C@H](F)CC[N@H+](CCNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001663777809 1104210712 /nfs/dbraw/zinc/21/07/12/1104210712.db2.gz VQPWGVMNGIDDSM-LBPRGKRZSA-N 1 0 349.410 2.791 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)c2cc(C3CC3)on2)cc1C ZINC001664101222 1104287207 /nfs/dbraw/zinc/28/72/07/1104287207.db2.gz DYSODEWMEWLSEU-UHFFFAOYSA-N 1 0 343.427 2.731 10 10 EFCERO COc1cccc(C(=O)N(C)CC[NH2+]Cc2ccc(OC)c(C)c2)c1 ZINC001664328086 1104352918 /nfs/dbraw/zinc/35/29/18/1104352918.db2.gz VDGSNNXCKQUMIT-UHFFFAOYSA-N 1 0 342.439 2.874 10 10 EFCERO CC/C=C\CC[NH2+]CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001664402828 1104381382 /nfs/dbraw/zinc/38/13/82/1104381382.db2.gz KJMHBOPZYRKPAS-BDZSZVBMSA-N 1 0 331.420 2.867 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2c[nH]cc2C)cc1C ZINC001666662315 1104977034 /nfs/dbraw/zinc/97/70/34/1104977034.db2.gz OTGMSOCNFRXOAM-ZDUSSCGKSA-N 1 0 329.444 2.796 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]2CCCO2)cc1C ZINC001667075921 1105047118 /nfs/dbraw/zinc/04/71/18/1105047118.db2.gz JVEXREGHFAQXST-HKUYNNGSSA-N 1 0 348.487 2.803 10 10 EFCERO COc1ccc(C(=O)N[C@H](C)CC[NH2+]Cc2ccc(OC)c(C)c2)o1 ZINC001482883491 1105131382 /nfs/dbraw/zinc/13/13/82/1105131382.db2.gz DHRJUJOKLBXXQN-CQSZACIVSA-N 1 0 346.427 2.903 10 10 EFCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)c2nc(C)oc2C)cc1C ZINC001482884186 1105132662 /nfs/dbraw/zinc/13/26/62/1105132662.db2.gz HWBUZYRZYKFFDZ-CYBMUJFWSA-N 1 0 345.443 2.907 10 10 EFCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)c1ccc(C)nc1 ZINC001482910095 1105157780 /nfs/dbraw/zinc/15/77/80/1105157780.db2.gz KFVDNKGDVBAXEO-UHFFFAOYSA-N 1 0 341.455 2.959 10 10 EFCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CC2(F)F)cc1C ZINC001668050615 1105226959 /nfs/dbraw/zinc/22/69/59/1105226959.db2.gz XJPQNFZHSWJCRN-TZMCWYRMSA-N 1 0 326.387 2.643 10 10 EFCERO CCN(CC[NH2+]CC[C@H](C)F)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001668656825 1105342795 /nfs/dbraw/zinc/34/27/95/1105342795.db2.gz OHPCOPQYDXJIRK-LBPRGKRZSA-N 1 0 337.399 2.649 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)C2CCC(OC)CC2)cc1C ZINC001669385639 1105478325 /nfs/dbraw/zinc/47/83/25/1105478325.db2.gz USIFILBWWBINDB-FAEJEUNOSA-N 1 0 348.487 2.803 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2ccn(C(C)C)n2)cc1C ZINC001669411573 1105481599 /nfs/dbraw/zinc/48/15/99/1105481599.db2.gz ONFGHLWNUXXDFK-OAHLLOKOSA-N 1 0 344.459 2.689 10 10 EFCERO CCCc1cc(C(=O)N[C@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)no1 ZINC001669439945 1105482856 /nfs/dbraw/zinc/48/28/56/1105482856.db2.gz DKKYCTQOPVGFBE-CQSZACIVSA-N 1 0 345.443 2.852 10 10 EFCERO CCc1ocnc1C(=O)NC/C=C\C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001482992596 1105494590 /nfs/dbraw/zinc/49/45/90/1105494590.db2.gz FQIIYFJCZHQGNM-WAYWQWQTSA-N 1 0 343.427 2.630 10 10 EFCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)c2ccc(F)nc2)cc1C ZINC001482992775 1105495494 /nfs/dbraw/zinc/49/54/94/1105495494.db2.gz YUFRPBNSHQMPLF-ARJAWSKDSA-N 1 0 343.402 2.614 10 10 EFCERO COc1ccc(C[NH2+]CCCN(C)C(=O)c2ccccn2)cc1C ZINC001669995258 1105566277 /nfs/dbraw/zinc/56/62/77/1105566277.db2.gz DVLXXXIJFUYJQQ-UHFFFAOYSA-N 1 0 327.428 2.651 10 10 EFCERO COCC(C)(C)C(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001673885085 1106096822 /nfs/dbraw/zinc/09/68/22/1106096822.db2.gz MLTBNFSLTZJTNT-DOTOQJQBSA-N 1 0 348.487 2.613 10 10 EFCERO CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000841988110 1106116619 /nfs/dbraw/zinc/11/66/19/1106116619.db2.gz KCYVEWGQFSBXGH-CRAIPNDOSA-N 1 0 332.492 2.672 10 10 EFCERO C[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)CC[N@@H+](C2CC2)C1 ZINC000897863802 1106121750 /nfs/dbraw/zinc/12/17/50/1106121750.db2.gz IGNDSVGWLYNCSD-NSHDSACASA-N 1 0 346.452 2.869 10 10 EFCERO CCN(C(=O)c1cc2cc(O)c(O)cc2s1)C1CC[NH+](C)CC1 ZINC000897897210 1106136608 /nfs/dbraw/zinc/13/66/08/1106136608.db2.gz NRSFRLKIUALYNO-UHFFFAOYSA-N 1 0 334.441 2.869 10 10 EFCERO CN(CC[NH+]1CCCCC1)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000898098664 1106244144 /nfs/dbraw/zinc/24/41/44/1106244144.db2.gz CHOOVUOVJJRIEC-UHFFFAOYSA-N 1 0 334.441 2.870 10 10 EFCERO C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@H](C)[NH2+]CC1CCC1 ZINC001674780347 1106255824 /nfs/dbraw/zinc/25/58/24/1106255824.db2.gz LNNAPSCDOUKHDL-RYUDHWBXSA-N 1 0 331.420 2.746 10 10 EFCERO COc1ccc(N2CCN(C[C@H]3CC[C@@H](C(F)(F)F)O3)CC2)cc1 ZINC000929153310 1106295552 /nfs/dbraw/zinc/29/55/52/1106295552.db2.gz YBXPXNWWNLGGJK-CVEARBPZSA-N 1 0 344.377 2.927 10 10 EFCERO CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC000925320942 1106382136 /nfs/dbraw/zinc/38/21/36/1106382136.db2.gz NJTMKDSYFBVJBE-CRAIPNDOSA-N 1 0 332.492 2.767 10 10 EFCERO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)c2conc2C)cc1C ZINC001675965911 1106456301 /nfs/dbraw/zinc/45/63/01/1106456301.db2.gz FWLZVIMRCGOFMC-AWEZNQCLSA-N 1 0 345.443 2.988 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C[C@@H]2CCCO2)cc1C ZINC001676310723 1106513777 /nfs/dbraw/zinc/51/37/77/1106513777.db2.gz IAJVJDYBLVWZFX-RDJZCZTQSA-N 1 0 334.460 2.509 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C2(C)CCOCC2)cc1C ZINC001676440188 1106530249 /nfs/dbraw/zinc/53/02/49/1106530249.db2.gz MVQHJDPFKSNOOL-INIZCTEOSA-N 1 0 348.487 2.757 10 10 EFCERO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000925328817 1107415607 /nfs/dbraw/zinc/41/56/07/1107415607.db2.gz LEMFFWNAJOUYBN-YJBOKZPZSA-N 1 0 332.492 2.765 10 10 EFCERO C[C@H](NC(=O)NCC[N@@H+]1CCC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC001680280789 1107835691 /nfs/dbraw/zinc/83/56/91/1107835691.db2.gz QJIUFEQFMABYPI-HNNXBMFYSA-N 1 0 332.492 2.845 10 10 EFCERO COc1ccc(C[NH2+]CC[C@@H]2CCN(C(=O)C(C)(F)F)C2)cc1C ZINC001272337665 1107915052 /nfs/dbraw/zinc/91/50/52/1107915052.db2.gz BFFPLLSVKJMUHN-CQSZACIVSA-N 1 0 340.414 2.987 10 10 EFCERO CC(C)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001272342357 1107979468 /nfs/dbraw/zinc/97/94/68/1107979468.db2.gz GQGJNDFOMKKALR-GOEBONIOSA-N 1 0 345.447 2.993 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)c3ccc(C)o3)CC2)cc1C ZINC001483714983 1108199264 /nfs/dbraw/zinc/19/92/64/1108199264.db2.gz LWFMPQSLFANIGW-UHFFFAOYSA-N 1 0 328.412 2.957 10 10 EFCERO CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCC1([NH+](C)C)CCC1 ZINC001681707848 1108396770 /nfs/dbraw/zinc/39/67/70/1108396770.db2.gz JPIZGJLOILKBAN-UHFFFAOYSA-N 1 0 344.503 2.913 10 10 EFCERO CCn1cccc1C(=O)NC/C=C\C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001483098078 1108642279 /nfs/dbraw/zinc/64/22/79/1108642279.db2.gz UMGCDZHTGXGYKE-WAYWQWQTSA-N 1 0 341.455 2.901 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)NC/C=C\C[NH2+]CCC2CC2)cc1 ZINC001483101389 1108665655 /nfs/dbraw/zinc/66/56/55/1108665655.db2.gz YSTBYXCXZPEXCT-DVIFNLQASA-N 1 0 329.404 2.525 10 10 EFCERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000898579112 1109018729 /nfs/dbraw/zinc/01/87/29/1109018729.db2.gz NPDDORLVLTYFKL-LLVKDONJSA-N 1 0 334.441 2.915 10 10 EFCERO C[C@H]1COC[C@H](C)C1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000924760176 1109426119 /nfs/dbraw/zinc/42/61/19/1109426119.db2.gz OPSJQNSJTBIUOB-HOTGVXAUSA-N 1 0 332.488 2.656 10 10 EFCERO COCCN1CC[C@H]([NH2+]CCc2cc(C)n(-c3ccccc3)c2C)C1 ZINC000784495566 1111314631 /nfs/dbraw/zinc/31/46/31/1111314631.db2.gz PADNURJLIYLXTD-FQEVSTJZSA-N 1 0 341.499 2.947 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)CCCC(C)=O)cc1C ZINC001483921135 1112561042 /nfs/dbraw/zinc/56/10/42/1112561042.db2.gz ZKCLHDWBFPAQAD-SFHVURJKSA-N 1 0 346.471 2.844 10 10 EFCERO CCO[C@H](CC)C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001483925812 1112564327 /nfs/dbraw/zinc/56/43/27/1112564327.db2.gz WGLMTBCLPRKKOX-ZWKOTPCHSA-N 1 0 348.487 2.899 10 10 EFCERO CCCC(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CCOCC1 ZINC001484178025 1112895009 /nfs/dbraw/zinc/89/50/09/1112895009.db2.gz HVQXFHQPRWUVCF-UHFFFAOYSA-N 1 0 334.460 2.559 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@H]3CC3(F)F)CCC2)cc1C ZINC001484633250 1113072760 /nfs/dbraw/zinc/07/27/60/1113072760.db2.gz FAZVHMPXNRUWOP-CQSZACIVSA-N 1 0 338.398 2.787 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3CCCOC3)CCC2)cc1C ZINC001484627124 1113076636 /nfs/dbraw/zinc/07/66/36/1113076636.db2.gz WKMLWUMTAREHML-QGZVFWFLSA-N 1 0 346.471 2.559 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CCC(C)C)CCO2)cc1C ZINC001484666713 1113104773 /nfs/dbraw/zinc/10/47/73/1113104773.db2.gz HAPWZOLVOQYZPW-GOSISDBHSA-N 1 0 348.487 2.757 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C2=COCCC2)cc1C ZINC001485130626 1118059030 /nfs/dbraw/zinc/05/90/30/1118059030.db2.gz SNLWNTPIYQFMJZ-CABCVRRESA-N 1 0 332.444 2.681 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C2=COCCC2)cc1C ZINC001485130628 1118059059 /nfs/dbraw/zinc/05/90/59/1118059059.db2.gz SNLWNTPIYQFMJZ-HUUCEWRRSA-N 1 0 332.444 2.681 10 10 EFCERO CCn1nccc1C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001485137509 1118090442 /nfs/dbraw/zinc/09/04/42/1118090442.db2.gz LZOKZNBCZWESIO-CABCVRRESA-N 1 0 344.459 2.517 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)COC(C)(C)C)cc1C ZINC001485140977 1118093783 /nfs/dbraw/zinc/09/37/83/1118093783.db2.gz XXWKOZUIUXDNBZ-LSDHHAIUSA-N 1 0 336.476 2.802 10 10 EFCERO COc1ccc(C[NH2+]CC(C)(C)CN(C)C(=O)C(F)F)cc1C ZINC001485243756 1118174885 /nfs/dbraw/zinc/17/48/85/1118174885.db2.gz FURWGZXIZOVAMZ-UHFFFAOYSA-N 1 0 328.403 2.843 10 10 EFCERO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)c2cnc(C)[nH]2)cc1C ZINC001485715315 1118537908 /nfs/dbraw/zinc/53/79/08/1118537908.db2.gz XEHMJNGVRIPHNF-CQSZACIVSA-N 1 0 344.459 2.723 10 10 EFCERO COc1ccc2ccc(O)c(C[N@@H+]3CCO[C@]4(CCOC4)C3)c2c1 ZINC000184290285 1118992487 /nfs/dbraw/zinc/99/24/87/1118992487.db2.gz ADNZDTHHEKVAEG-LJQANCHMSA-N 1 0 329.396 2.545 10 10 EFCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)c2cncc(F)c2)cc1C ZINC001272722729 1119385839 /nfs/dbraw/zinc/38/58/39/1119385839.db2.gz XPZGQYHVGIWNKQ-AWEZNQCLSA-N 1 0 345.418 2.836 10 10 EFCERO COC(=O)/C=C/c1ccc(N(CC[NH+](C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000185441298 1120187953 /nfs/dbraw/zinc/18/79/53/1120187953.db2.gz PVMZDAVXJDLDQN-VQHVLOKHSA-N 1 0 335.404 2.557 10 10 EFCERO O[C@@]1(c2ccc(F)cc2)CN2CCCSC2=[N+]1Cc1ccccc1 ZINC000003259126 209991263 /nfs/dbraw/zinc/99/12/63/209991263.db2.gz INRRFHYQVISBNN-LJQANCHMSA-N 1 0 343.447 2.992 10 10 EFCERO C[C@H]([C@H](C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)n1cccn1 ZINC000069372336 215390969 /nfs/dbraw/zinc/39/09/69/215390969.db2.gz QMZULVRIGSMLCD-LSDHHAIUSA-N 1 0 332.423 2.598 10 10 EFCERO C[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@H]12)c1ccc(N2CCOCC2)c(F)c1 ZINC000187278514 239706410 /nfs/dbraw/zinc/70/64/10/239706410.db2.gz RWKFHHPICPTQJX-GCVCFTOTSA-N 1 0 334.435 2.880 10 10 EFCERO Cc1cc(C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)c(C)n1-c1ccccn1 ZINC000190744859 239945524 /nfs/dbraw/zinc/94/55/24/239945524.db2.gz KTKRGVNRCAKFPK-MRXNPFEDSA-N 1 0 338.455 2.846 10 10 EFCERO CN(C)c1ccc(C[NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1 ZINC000191760603 240006552 /nfs/dbraw/zinc/00/65/52/240006552.db2.gz OUOHTZAJRQWTSH-IBGZPJMESA-N 1 0 341.430 2.782 10 10 EFCERO CN(C)c1noc(C2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)n1 ZINC000191908964 240009887 /nfs/dbraw/zinc/00/98/87/240009887.db2.gz ZGLHEHSWRXOABQ-UHFFFAOYSA-N 1 0 329.448 2.581 10 10 EFCERO CN(C)c1noc([C@H]2CCC[N@H+](Cc3cccc(Cl)c3[O-])C2)n1 ZINC000194938512 240189031 /nfs/dbraw/zinc/18/90/31/240189031.db2.gz FPDRAWMFIROHKC-LBPRGKRZSA-N 1 0 336.823 2.874 10 10 EFCERO CN(C)c1noc([C@@H]2CCC[N@H+](Cc3cccc(Cl)c3[O-])C2)n1 ZINC000194938492 240186496 /nfs/dbraw/zinc/18/64/96/240186496.db2.gz FPDRAWMFIROHKC-GFCCVEGCSA-N 1 0 336.823 2.874 10 10 EFCERO CCCOc1ccc(C[N@@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)c(O)c1 ZINC000245712356 240259954 /nfs/dbraw/zinc/25/99/54/240259954.db2.gz CLEUHROEVKLETG-SZVBFZGTSA-N 1 0 335.444 2.949 10 10 EFCERO Cc1cc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)c(C)n1-c1ccccn1 ZINC000247527500 240281531 /nfs/dbraw/zinc/28/15/31/240281531.db2.gz XESLRRNNUDETRG-NVXWUHKLSA-N 1 0 338.455 2.798 10 10 EFCERO C[C@H]([NH2+]C[C@@H]1C[C@@H](O)CN1Cc1ccccc1)c1cc(F)ccc1O ZINC000248530533 240290992 /nfs/dbraw/zinc/29/09/92/240290992.db2.gz XMOOGNAOKSDDGE-JCGIZDLHSA-N 1 0 344.430 2.817 10 10 EFCERO CC[NH+]1CCN(c2ccc(CNC(=O)N3C[C@@H](C)[C@@H]3C)cc2F)CC1 ZINC000297545526 241125091 /nfs/dbraw/zinc/12/50/91/241125091.db2.gz FICMASRHHOXDQW-CABCVRRESA-N 1 0 348.466 2.517 10 10 EFCERO Oc1ccccc1C[NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000368009288 242398844 /nfs/dbraw/zinc/39/88/44/242398844.db2.gz WIBSSPLCSHDODQ-INIZCTEOSA-N 1 0 338.386 2.894 10 10 EFCERO c1cc(C[C@@H]2CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)ccn1 ZINC000378631360 242538076 /nfs/dbraw/zinc/53/80/76/242538076.db2.gz JCCRREMBIANGRN-FQEVSTJZSA-N 1 0 337.467 2.983 10 10 EFCERO C[NH2+][C@H](Cc1cc(OC)c(OC)c(OC)c1)c1ccc(O)c(O)c1 ZINC000169325178 533011433 /nfs/dbraw/zinc/01/14/33/533011433.db2.gz VCAIQJBZGWLUNG-CYBMUJFWSA-N 1 0 333.384 2.627 10 10 EFCERO CN(C)c1ccc([C@@H](CNC(=O)c2ccco2)[NH+]2CCCC2)cc1 ZINC000005098060 210390471 /nfs/dbraw/zinc/39/04/71/210390471.db2.gz FXAAXYFTTPOBPH-QGZVFWFLSA-N 1 0 327.428 2.913 10 10 EFCERO CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCN2C ZINC000328627622 258031862 /nfs/dbraw/zinc/03/18/62/258031862.db2.gz GITXDAKTNQJSAZ-WMZOPIPTSA-N 1 0 326.444 2.515 10 10 EFCERO C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(N3CCCC3)cc2)CC[N@@H+]1C ZINC000173993466 533584664 /nfs/dbraw/zinc/58/46/64/533584664.db2.gz VHZHRUGQUSBWFT-APWZRJJASA-N 1 0 344.503 2.911 10 10 EFCERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181317529 278240894 /nfs/dbraw/zinc/24/08/94/278240894.db2.gz GFHIFEFSUJYKCS-GDXASINISA-N 1 0 340.423 2.748 10 10 EFCERO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCN2C ZINC000190426979 473270206 /nfs/dbraw/zinc/27/02/06/473270206.db2.gz LHNWMGDYUDZLFZ-HKUYNNGSSA-N 1 0 340.471 2.905 10 10 EFCERO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)CN2CCc3ccccc3C2)c1 ZINC000184991896 473294879 /nfs/dbraw/zinc/29/48/79/473294879.db2.gz SWIBOQUYTRMZNW-APWZRJJASA-N 1 0 340.467 2.770 10 10 EFCERO CN(CC(=O)OC(C)(C)C)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000190580881 473325722 /nfs/dbraw/zinc/32/57/22/473325722.db2.gz SSQUHEUXLYJJRF-UHFFFAOYSA-N 1 0 334.460 2.630 10 10 EFCERO Cc1cc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c(C)n1-c1ccccn1 ZINC000113226190 473368595 /nfs/dbraw/zinc/36/85/95/473368595.db2.gz XESLRRNNUDETRG-DOTOQJQBSA-N 1 0 338.455 2.798 10 10 EFCERO Cc1cc(C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)c(C)n1-c1ccccn1 ZINC000190744839 473380773 /nfs/dbraw/zinc/38/07/73/473380773.db2.gz KTKRGVNRCAKFPK-INIZCTEOSA-N 1 0 338.455 2.846 10 10 EFCERO Cc1csc2nc(C[N@@H+](C)Cc3ccc(N(C)C)cc3)cc(=O)n12 ZINC000008429752 471688399 /nfs/dbraw/zinc/68/83/99/471688399.db2.gz GOZWYCQWYBVITK-UHFFFAOYSA-N 1 0 342.468 2.762 10 10 EFCERO Cc1ccc([C@@H](Cc2ccc(O)c(O)c2)[NH+]2CCN(C)CC2)cc1 ZINC000033891113 471988279 /nfs/dbraw/zinc/98/82/79/471988279.db2.gz VKFHISXPCGHDLQ-GOSISDBHSA-N 1 0 326.440 2.937 10 10 EFCERO CC[NH+]1CCC(CCNC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000075497382 472144956 /nfs/dbraw/zinc/14/49/56/472144956.db2.gz KHBRDBNEOQCRTO-UHFFFAOYSA-N 1 0 332.492 2.674 10 10 EFCERO Oc1cc2c(cc1O)C[C@H]([NH2+][C@H]1CCc3cc(O)c(O)cc3C1)CC2 ZINC000026971290 472157545 /nfs/dbraw/zinc/15/75/45/472157545.db2.gz BMWKPVFVSFFXHB-IYBDPMFKSA-N 1 0 341.407 2.513 10 10 EFCERO CS[C@@H](C)CC(=O)N[C@@H](C)c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000097021854 472411514 /nfs/dbraw/zinc/41/15/14/472411514.db2.gz MJKUIZKJTOBVQP-GJZGRUSLSA-N 1 0 335.517 2.757 10 10 EFCERO CC[C@H]([NH2+][C@H](C)Cn1cncn1)c1cc(Br)ccc1O ZINC000155434623 472548480 /nfs/dbraw/zinc/54/84/80/472548480.db2.gz SNRXRUMQHJZVJH-MFKMUULPSA-N 1 0 339.237 2.876 10 10 EFCERO c1cc(N2CCCCC2)ccc1C[NH2+]C[C@H]1CN(C2CC2)CCO1 ZINC000072268814 472642338 /nfs/dbraw/zinc/64/23/38/472642338.db2.gz USXSAGFINZTBPT-FQEVSTJZSA-N 1 0 329.488 2.630 10 10 EFCERO COC(=O)/C=C/c1ccc(N2CC[N@H+](C)C[C@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000078022631 472653015 /nfs/dbraw/zinc/65/30/15/472653015.db2.gz DXQMVZYLFGFGNY-JKNJVXJCSA-N 1 0 347.415 2.557 10 10 EFCERO COc1cccc(C[NH+]2CCC(c3nnc4ccccn43)CC2)c1O ZINC000120919820 472768592 /nfs/dbraw/zinc/76/85/92/472768592.db2.gz GWFGKTXJVLZTER-UHFFFAOYSA-N 1 0 338.411 2.823 10 10 EFCERO C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H]1n1ccnc1 ZINC000091960309 472833009 /nfs/dbraw/zinc/83/30/09/472833009.db2.gz NSCIIRCTHBIUFG-XLIONFOSSA-N 1 0 340.471 2.803 10 10 EFCERO CSCCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134269743 472891391 /nfs/dbraw/zinc/89/13/91/472891391.db2.gz QMTBVMAFIKKFMG-CQSZACIVSA-N 1 0 342.892 2.879 10 10 EFCERO CCOc1ccc(O)c(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)c1 ZINC000092662371 472957197 /nfs/dbraw/zinc/95/71/97/472957197.db2.gz CHEFZUKSGUHVKC-GOSISDBHSA-N 1 0 335.444 2.951 10 10 EFCERO CN(C)c1ccc(CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000107723628 472978976 /nfs/dbraw/zinc/97/89/76/472978976.db2.gz WOTOWOWLKJGQIP-IBGZPJMESA-N 1 0 344.503 2.913 10 10 EFCERO c1cc(N2CCOCC2)ccc1CN1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000092785654 472984138 /nfs/dbraw/zinc/98/41/38/472984138.db2.gz JKUFOZQWJMTXGJ-OAQYLSRUSA-N 1 0 343.515 2.974 10 10 EFCERO Cc1occc1C(=O)NC1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000093010529 473025968 /nfs/dbraw/zinc/02/59/68/473025968.db2.gz WAYKZJHHJFLALA-UHFFFAOYSA-N 1 0 328.412 2.996 10 10 EFCERO COc1cccc(C[N@H+](C)[C@@H]2CCN(c3ccccc3)C2=O)c1O ZINC000093104627 473043632 /nfs/dbraw/zinc/04/36/32/473043632.db2.gz MJQCJFHLTCZEDI-MRXNPFEDSA-N 1 0 326.396 2.638 10 10 EFCERO O[C@@]12CCCC[C@@H]1C[N@H+](Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000093585488 473119777 /nfs/dbraw/zinc/11/97/77/473119777.db2.gz ACANCLOKOMPCGL-UYAOXDASSA-N 1 0 330.472 2.650 10 10 EFCERO Cc1cc(NC(=O)C2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)no1 ZINC000123380225 473133975 /nfs/dbraw/zinc/13/39/75/473133975.db2.gz GLWDMJKSPHLPBX-UHFFFAOYSA-N 1 0 342.443 2.900 10 10 EFCERO COc1cccc(C[N@@H+]2CCC[C@H]2CNC(=O)OC(C)(C)C)c1O ZINC000093757673 473140766 /nfs/dbraw/zinc/14/07/66/473140766.db2.gz FMZOQZDOLZEMMB-AWEZNQCLSA-N 1 0 336.432 2.890 10 10 EFCERO C[C@@H]([NH2+][C@H]1CCCn2ncnc21)c1ccc(Br)cc1O ZINC000185663408 473482038 /nfs/dbraw/zinc/48/20/38/473482038.db2.gz RQCNLWBZQJSMHB-SKDRFNHKSA-N 1 0 337.221 2.932 10 10 EFCERO Cn1cc(N2CCC[C@@H]([NH2+]Cc3c([O-])ccc(Cl)c3F)C2)cn1 ZINC000191199954 473505766 /nfs/dbraw/zinc/50/57/66/473505766.db2.gz WHVQZJSOOPQBMT-LLVKDONJSA-N 1 0 338.814 2.677 10 10 EFCERO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCc3nc(C(C)C)nn3C2)c1 ZINC000185996777 473567681 /nfs/dbraw/zinc/56/76/81/473567681.db2.gz QVEDYMTXGZTKNG-OLZOCXBDSA-N 1 0 330.432 2.781 10 10 EFCERO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCN(c3cccnn3)C2)c1 ZINC000186050912 473579779 /nfs/dbraw/zinc/57/97/79/473579779.db2.gz PBVWBTCKNQXWRT-KGLIPLIRSA-N 1 0 328.416 2.510 10 10 EFCERO CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)C1 ZINC000186110039 473593638 /nfs/dbraw/zinc/59/36/38/473593638.db2.gz GUEPHLZWTXWGPB-XJKSGUPXSA-N 1 0 331.460 2.725 10 10 EFCERO CN(Cc1ccccc1O)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115844673 473611727 /nfs/dbraw/zinc/61/17/27/473611727.db2.gz NFQYWXWTWQTMHE-UHFFFAOYSA-N 1 0 345.418 2.935 10 10 EFCERO Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H](O)CN2Cc2ccccc2)c(O)c1 ZINC000186194038 473612747 /nfs/dbraw/zinc/61/27/47/473612747.db2.gz NYJBKVOHPLOXTO-WDSOQIARSA-N 1 0 340.467 2.987 10 10 EFCERO CCCn1cc(CN2CCC[N@H+](Cc3ccccc3O)CC2)cn1 ZINC000179572304 473695636 /nfs/dbraw/zinc/69/56/36/473695636.db2.gz GMFGLOKTLFMUNK-UHFFFAOYSA-N 1 0 328.460 2.707 10 10 EFCERO COc1ccc(C[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)cc1C ZINC000274068529 473723649 /nfs/dbraw/zinc/72/36/49/473723649.db2.gz KIJBRIQRYRSPAT-UHFFFAOYSA-N 1 0 345.418 2.664 10 10 EFCERO COc1ccc(O)c(C[NH+]2CCN(c3nc4ccccc4o3)CC2)c1 ZINC000180083053 473793983 /nfs/dbraw/zinc/79/39/83/473793983.db2.gz DHABIIMKGGLITJ-UHFFFAOYSA-N 1 0 339.395 2.864 10 10 EFCERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000180125826 473805756 /nfs/dbraw/zinc/80/57/56/473805756.db2.gz ZGMAVEUQMZNDHL-HXUWFJFHSA-N 1 0 340.471 2.693 10 10 EFCERO Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCC(=O)N(C)C2)c1O ZINC000187228518 473841235 /nfs/dbraw/zinc/84/12/35/473841235.db2.gz XFQAXBUCHCAXGC-JQWIXIFHSA-N 1 0 341.249 2.735 10 10 EFCERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc(N2CCCCC2)c(F)c1 ZINC000180493473 473891131 /nfs/dbraw/zinc/89/11/31/473891131.db2.gz CIGZJKBXTFCUFH-RDJZCZTQSA-N 1 0 335.467 2.797 10 10 EFCERO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(N2CCCCC2)cc1 ZINC000180592186 473914378 /nfs/dbraw/zinc/91/43/78/473914378.db2.gz FYQLHDFPNGTLTO-WBVHZDCISA-N 1 0 325.460 2.934 10 10 EFCERO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(N3CCOCC3)n2)c1 ZINC000274812369 473969524 /nfs/dbraw/zinc/96/95/24/473969524.db2.gz VOOADLPDTYWZIC-HNNXBMFYSA-N 1 0 327.428 2.783 10 10 EFCERO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2O)c1 ZINC000264587216 474050197 /nfs/dbraw/zinc/05/01/97/474050197.db2.gz FHHCOMYYJDLJOF-CYBMUJFWSA-N 1 0 341.411 2.810 10 10 EFCERO COC(=O)/C=C/c1ccc(N(C)C[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000265198882 474170860 /nfs/dbraw/zinc/17/08/60/474170860.db2.gz JCDOTRPKNOMIDP-LOWQCSRCSA-N 1 0 347.415 2.559 10 10 EFCERO COc1ccc(N2CCC[N@H+](C[C@H](O)CC(F)(F)F)CC2)cc1 ZINC000188848348 474216082 /nfs/dbraw/zinc/21/60/82/474216082.db2.gz LEPCDJXMJOESPE-CQSZACIVSA-N 1 0 332.366 2.521 10 10 EFCERO O=C(c1cccc(O)c1O)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000282899256 474236102 /nfs/dbraw/zinc/23/61/02/474236102.db2.gz WQVDDRFYJQXPNW-CYBMUJFWSA-N 1 0 341.411 2.650 10 10 EFCERO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccccc1O ZINC000189050476 474276610 /nfs/dbraw/zinc/27/66/10/474276610.db2.gz NFDZWFQFNQNICP-CXAGYDPISA-N 1 0 328.387 2.983 10 10 EFCERO COc1ccc(O)c(C[N@@H+]2CCCN(Cc3csc(C)n3)CC2)c1 ZINC000183450466 474381617 /nfs/dbraw/zinc/38/16/17/474381617.db2.gz FLPIWQFLAFTAPN-UHFFFAOYSA-N 1 0 347.484 2.874 10 10 EFCERO CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c[nH+]ccc1N(C)C ZINC000183541579 474391415 /nfs/dbraw/zinc/39/14/15/474391415.db2.gz GKANYNITQHLIGM-UHFFFAOYSA-N 1 0 326.444 2.876 10 10 EFCERO CCOCc1cc(C[NH2+]C[C@@H](O)Cc2ccccc2)ccc1OC ZINC000290154548 474559088 /nfs/dbraw/zinc/55/90/88/474559088.db2.gz PISDHZZXHROTTK-IBGZPJMESA-N 1 0 329.440 2.925 10 10 EFCERO COc1cc(Cl)cc(C[NH+]2CCC(Nc3cccnn3)CC2)c1O ZINC000184689828 474586078 /nfs/dbraw/zinc/58/60/78/474586078.db2.gz FWXGMYXYRUIGNW-UHFFFAOYSA-N 1 0 348.834 2.921 10 10 EFCERO Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(O)c1O ZINC000272707547 474623507 /nfs/dbraw/zinc/62/35/07/474623507.db2.gz CTTSYIIDJRZBHV-MRXNPFEDSA-N 1 0 340.423 2.753 10 10 EFCERO Oc1cc2c(cc1C[NH2+]CCc1cccc(C(F)(F)F)n1)OCO2 ZINC000293029376 474773651 /nfs/dbraw/zinc/77/36/51/474773651.db2.gz RJECCPBBYIKHMG-UHFFFAOYSA-N 1 0 340.301 2.867 10 10 EFCERO CCn1nccc1CC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000278782520 474831959 /nfs/dbraw/zinc/83/19/59/474831959.db2.gz ZONXWBPVNWJURJ-SFHVURJKSA-N 1 0 329.444 2.832 10 10 EFCERO CC[C@H]1CCN1C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000292209166 474904631 /nfs/dbraw/zinc/90/46/31/474904631.db2.gz HFSKCLKSHVHZEH-INIZCTEOSA-N 1 0 348.466 2.662 10 10 EFCERO CN(C)c1ccc(C[NH2+]C[C@H](O)C(F)(F)F)c(C(F)(F)F)c1 ZINC000280040436 475006333 /nfs/dbraw/zinc/00/63/33/475006333.db2.gz VHSZLEOAYVPLTI-NSHDSACASA-N 1 0 330.272 2.784 10 10 EFCERO [O-]c1cc(F)c(Cl)cc1C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000293640262 475045709 /nfs/dbraw/zinc/04/57/09/475045709.db2.gz NVZDUGNBOSPZPN-CYBMUJFWSA-N 1 0 330.831 2.511 10 10 EFCERO CCN(CC)c1ccc(C[N@H+](C)[C@@H]2CCN3CCO[C@H]2C3)cc1F ZINC000295133995 475105580 /nfs/dbraw/zinc/10/55/80/475105580.db2.gz OWZMDPMAXSPZOK-MOPGFXCFSA-N 1 0 335.467 2.577 10 10 EFCERO COc1c(O)c(CN2CCCC[C@H]2c2ccnn2C)ccc1[N+](=O)[O-] ZINC000281296147 475157861 /nfs/dbraw/zinc/15/78/61/475157861.db2.gz PJBNPBDHOCXROO-AWEZNQCLSA-N 1 0 346.387 2.770 10 10 EFCERO Cc1cc(N2CCC[C@H]([NH2+]Cc3cc(Cl)ccc3O)C2)n(C)n1 ZINC000373055373 476372946 /nfs/dbraw/zinc/37/29/46/476372946.db2.gz FHSOTBAKPBKWLG-HNNXBMFYSA-N 1 0 334.851 2.846 10 10 EFCERO Oc1ccc(Cl)cc1C[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000369407042 476413753 /nfs/dbraw/zinc/41/37/53/476413753.db2.gz FCUCIVSZTXASLS-UHFFFAOYSA-N 1 0 332.835 2.963 10 10 EFCERO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](c3ccncn3)C2)c1O ZINC000378048466 476678793 /nfs/dbraw/zinc/67/87/93/476678793.db2.gz WVCAKKDETIMOFS-ZDUSSCGKSA-N 1 0 329.375 2.904 10 10 EFCERO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c1 ZINC000378373435 476702249 /nfs/dbraw/zinc/70/22/49/476702249.db2.gz CVHNKINRLCDPEW-VQIMIIECSA-N 1 0 345.443 2.613 10 10 EFCERO OC1CCN(c2ccc(C[NH2+][C@@H]3CCCc4n[nH]cc43)cc2F)CC1 ZINC000375788065 477005797 /nfs/dbraw/zinc/00/57/97/477005797.db2.gz QHGZRAVWXXCVLW-QGZVFWFLSA-N 1 0 344.434 2.677 10 10 EFCERO OCC1CCN(c2ccc(C[NH2+][C@H]3CCCc4n[nH]cc43)cc2)CC1 ZINC000375792440 477010070 /nfs/dbraw/zinc/01/00/70/477010070.db2.gz QEBKXSHBNDXUGR-IBGZPJMESA-N 1 0 340.471 2.786 10 10 EFCERO O=C1NCCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000367155313 477368388 /nfs/dbraw/zinc/36/83/88/477368388.db2.gz COPKDTPDERKQTQ-IBGZPJMESA-N 1 0 335.451 2.618 10 10 EFCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCCCO2)C1 ZINC000436010035 477406178 /nfs/dbraw/zinc/40/61/78/477406178.db2.gz YXMAEYHOVXMRKP-UHFFFAOYSA-N 1 0 341.455 2.962 10 10 EFCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCCO2)C1 ZINC000436030033 477410183 /nfs/dbraw/zinc/41/01/83/477410183.db2.gz AVYBIGHTYDDNDE-UHFFFAOYSA-N 1 0 327.428 2.572 10 10 EFCERO CCOc1ccc(C[NH2+]C[C@H]2c3ccccc3C(=O)N2C)c(O)c1 ZINC000527804024 478527670 /nfs/dbraw/zinc/52/76/70/478527670.db2.gz ACTCOZJGNKADCN-KRWDZBQOSA-N 1 0 326.396 2.707 10 10 EFCERO CCn1ncc(C[NH2+][C@@H](C)c2cc(Br)cc(F)c2[O-])n1 ZINC000527922314 478573048 /nfs/dbraw/zinc/57/30/48/478573048.db2.gz FLUWNBXETLVSKK-QMMMGPOBSA-N 1 0 343.200 2.756 10 10 EFCERO CC[C@H]([NH2+]C[C@H](O)[C@H]1CCCO1)c1cc(Br)ccc1O ZINC000527954399 478584724 /nfs/dbraw/zinc/58/47/24/478584724.db2.gz JRCMFUGXVNTWLT-AEGPPILISA-N 1 0 344.249 2.735 10 10 EFCERO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2c3ccccc3C(=O)N2C)c1 ZINC000528005493 478609665 /nfs/dbraw/zinc/60/96/65/478609665.db2.gz QGLFQVXCVZRYOH-SJCJKPOMSA-N 1 0 326.396 2.878 10 10 EFCERO COc1ccc(CN2CC[C@@H]2C[NH2+]Cc2cc(OC)ccc2O)cc1 ZINC000529642101 479233992 /nfs/dbraw/zinc/23/39/92/479233992.db2.gz DZSFQXUOLKJSGU-QGZVFWFLSA-N 1 0 342.439 2.774 10 10 EFCERO C[C@H]([NH2+]C[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1cc(F)ccc1O ZINC000186194181 533887225 /nfs/dbraw/zinc/88/72/25/533887225.db2.gz XMOOGNAOKSDDGE-WBAXXEDZSA-N 1 0 344.430 2.817 10 10 EFCERO 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CCN(CC)c1ccc(C[N@@H+]2CCSC[C@@H]2CCO)cc1F ZINC000770304914 577410778 /nfs/dbraw/zinc/41/07/78/577410778.db2.gz DWPYSKMGRLACLO-HNNXBMFYSA-N 1 0 326.481 2.972 10 10 EFCERO CCN(C)c1ccc(CN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000773758538 581462353 /nfs/dbraw/zinc/46/23/53/581462353.db2.gz VAMMPKXBJBDSNL-OAQYLSRUSA-N 1 0 344.547 2.745 10 10 EFCERO C[NH+](C)Cc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cn1 ZINC000773784084 581464570 /nfs/dbraw/zinc/46/45/70/581464570.db2.gz DRUCTDZZDVMJDS-UHFFFAOYSA-N 1 0 338.455 2.673 10 10 EFCERO COC[C@@H](C)OC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000774095268 581483087 /nfs/dbraw/zinc/48/30/87/581483087.db2.gz NVYCBQLQSZORAO-OAHLLOKOSA-N 1 0 344.455 2.986 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)[C@]23CCC[C@H]2OCC3)cc1C ZINC001691387590 1248723077 /nfs/dbraw/zinc/72/30/77/1248723077.db2.gz KWFNJDBWFVSVJL-QUCCMNQESA-N 1 0 346.471 2.511 10 10 EFCERO CO[C@H](C[NH2+][C@H](C)c1ccc(Br)cc1O)[C@H]1CCOC1 ZINC000850485127 1250502766 /nfs/dbraw/zinc/50/27/66/1250502766.db2.gz XVRAZSSBQBIBIS-JRPNMDOOSA-N 1 0 344.249 2.857 10 10 EFCERO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000850033759 1250234987 /nfs/dbraw/zinc/23/49/87/1250234987.db2.gz DQFRFKXIGCAEAF-IAOVAPTHSA-N 1 0 334.485 2.527 10 10 EFCERO COc1cc(C[NH2+]CC[C@@H](C)[S@](C)=O)c(O)c(C(C)(C)C)c1 ZINC000850193625 1250345318 /nfs/dbraw/zinc/34/53/18/1250345318.db2.gz VPMOXXOLUQFXJY-IPQOISQHSA-N 1 0 327.490 2.945 10 10 EFCERO CC[C@H](OC)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001691212117 1248540563 /nfs/dbraw/zinc/54/05/63/1248540563.db2.gz CXMCCPVTBGCWNW-KSZLIROESA-N 1 0 348.487 2.803 10 10 EFCERO COCC(=O)N1CCC[C@@H](C)[C@@H]1CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001691286422 1248599938 /nfs/dbraw/zinc/59/99/38/1248599938.db2.gz VVZHUUMFVWULLM-QAPCUYQASA-N 1 0 348.487 2.757 10 10 EFCERO COc1cc(C[NH2+]C[C@@H](CO)c2cccnc2)c(O)c(C(C)(C)C)c1 ZINC000850299998 1250409447 /nfs/dbraw/zinc/40/94/47/1250409447.db2.gz CEKDVJBABYQQSB-INIZCTEOSA-N 1 0 344.455 2.959 10 10 EFCERO COc1ccc(N2CC[C@H](C[NH2+]Cc3cn(C4CCC4)nn3)C2)cc1 ZINC000850331420 1250436096 /nfs/dbraw/zinc/43/60/96/1250436096.db2.gz YQGSLESHXPOYSE-OAHLLOKOSA-N 1 0 341.459 2.628 10 10 EFCERO CC(C)(C)N1CC[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000850343077 1250439462 /nfs/dbraw/zinc/43/94/62/1250439462.db2.gz KYCIEYYPVILDRW-INIZCTEOSA-N 1 0 335.467 2.625 10 10 EFCERO CCOc1cccc(C[NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)n1 ZINC000850346743 1250441016 /nfs/dbraw/zinc/44/10/16/1250441016.db2.gz IVSYUFGPQSFXAI-INIZCTEOSA-N 1 0 327.428 2.857 10 10 EFCERO COc1ccc(N2CC[C@H]([NH2+]Cc3ccnn3CC(C)C)C2)cc1 ZINC000850346591 1250441117 /nfs/dbraw/zinc/44/11/17/1250441117.db2.gz HSMQCTJHDRYPFN-INIZCTEOSA-N 1 0 328.460 2.916 10 10 EFCERO COc1ccc(N2CC[C@H]([NH2+]Cc3c(C)nn(C)c3Cl)C2)cc1 ZINC000850345890 1250442732 /nfs/dbraw/zinc/44/27/32/1250442732.db2.gz NDGBREUUOWXCDT-ZDUSSCGKSA-N 1 0 334.851 2.759 10 10 EFCERO CCOCc1cc(C[NH2+][C@H](COC)C2CCOCC2)ccc1OC ZINC000850351975 1250446336 /nfs/dbraw/zinc/44/63/36/1250446336.db2.gz XTDIEQAYIVEVKU-GOSISDBHSA-N 1 0 337.460 2.763 10 10 EFCERO COc1ccc(N2CCC([NH2+]Cc3nccc(OC)c3F)CC2)cc1 ZINC000850381003 1250454413 /nfs/dbraw/zinc/45/44/13/1250454413.db2.gz SPEQYCXDFPESKE-UHFFFAOYSA-N 1 0 345.418 2.997 10 10 EFCERO COc1cc(Br)cc(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)c1O ZINC000850387860 1250458816 /nfs/dbraw/zinc/45/88/16/1250458816.db2.gz BQPZFKGAIUERDB-CHWSQXEVSA-N 1 0 342.233 2.556 10 10 EFCERO O=[N+]([O-])c1cc(C[NH2+][C@@H]2C[C@H](O)C23CCC3)ccc1N1CCCCC1 ZINC000850389442 1250461800 /nfs/dbraw/zinc/46/18/00/1250461800.db2.gz XGEINDIUQGNYGQ-MSOLQXFVSA-N 1 0 345.443 2.978 10 10 EFCERO O=C1CC[C@@H](C[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)N1 ZINC000850388402 1250461833 /nfs/dbraw/zinc/46/18/33/1250461833.db2.gz ANLPYERVSDPLFG-IBGZPJMESA-N 1 0 335.451 2.618 10 10 EFCERO CN(C)c1ccc(/C=C/C[NH2+]C2CCN([C@H]3CCOC3)CC2)cc1 ZINC000850395573 1250464586 /nfs/dbraw/zinc/46/45/86/1250464586.db2.gz ASPICJBNPLPGIO-YADGQWAMSA-N 1 0 329.488 2.609 10 10 EFCERO Oc1ccc(Cl)cc1C[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000850395709 1250464611 /nfs/dbraw/zinc/46/46/11/1250464611.db2.gz KSOKDFBCMAOYKJ-IAGOWNOFSA-N 1 0 336.863 2.779 10 10 EFCERO OC1CCN(c2ccc(C[NH2+]Cc3ccc4c[nH]nc4c3)cc2)CC1 ZINC000850406274 1250469712 /nfs/dbraw/zinc/46/97/12/1250469712.db2.gz ZQPWORPHWWKINC-UHFFFAOYSA-N 1 0 336.439 2.814 10 10 EFCERO C[C@@H](O)[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000850419675 1250478055 /nfs/dbraw/zinc/47/80/55/1250478055.db2.gz GQCWSXCHJIDGFO-UZLBHIALSA-N 1 0 326.440 2.735 10 10 EFCERO COc1ccc(N2CCC([NH2+][C@H]3CCCn4nccc43)CC2)cc1 ZINC000850429799 1250482335 /nfs/dbraw/zinc/48/23/35/1250482335.db2.gz JLHRWJVTOJGYKC-SFHVURJKSA-N 1 0 326.444 2.985 10 10 EFCERO COC[C@H](CC1CCOCC1)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000850431655 1250484306 /nfs/dbraw/zinc/48/43/06/1250484306.db2.gz ZYYPIGMHVNOCRY-IBGZPJMESA-N 1 0 332.488 2.990 10 10 EFCERO COC(=O)CC(C)(C)C[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000850427215 1250486255 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10 EFCERO COc1ccc(N2CC[C@H]([NH2+][C@H]3CCCc4nn(C)cc43)C2)cc1 ZINC000850487496 1250504298 /nfs/dbraw/zinc/50/42/98/1250504298.db2.gz HEADYLWJRJQYST-KSSFIOAISA-N 1 0 326.444 2.675 10 10 EFCERO CC[C@H]([NH2+][C@H]1CCN(c2ccc(OC)cc2)C1)C1(C(=O)OC)CCC1 ZINC000850486690 1250504599 /nfs/dbraw/zinc/50/45/99/1250504599.db2.gz CTICTCBQOMSHDE-YJBOKZPZSA-N 1 0 346.471 2.985 10 10 EFCERO C[C@@H]([NH2+]CCO[C@H]1CC1(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000850519431 1250523181 /nfs/dbraw/zinc/52/31/81/1250523181.db2.gz LTRHFVRIJMYUDJ-WBMJQRKESA-N 1 0 344.377 2.737 10 10 EFCERO C[C@H]([NH2+]CCN1C[C@@H]2CCCCN2C1=O)c1ccc(N(C)C)cc1 ZINC000850562997 1250534781 /nfs/dbraw/zinc/53/47/81/1250534781.db2.gz QRGGZAKHIAVVCB-YJBOKZPZSA-N 1 0 330.476 2.693 10 10 EFCERO C[C@@H]1C[C@H]([NH2+]CCN2C[C@@H]3CCCCN3C2=O)c2c1c(F)ccc2O ZINC000850561650 1250537902 /nfs/dbraw/zinc/53/79/02/1250537902.db2.gz KOSYJFIWFOCSCH-IPYPFGDCSA-N 1 0 347.434 2.959 10 10 EFCERO C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[C@@H]2CCC[C@H]21 ZINC000850568068 1250540939 /nfs/dbraw/zinc/54/09/39/1250540939.db2.gz OTYYWCMDVRVIFY-PCCBWWKXSA-N 1 0 343.515 2.610 10 10 EFCERO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](c2ccccc2)[C@@H](C)O)c1 ZINC000850585168 1250548003 /nfs/dbraw/zinc/54/80/03/1250548003.db2.gz WMMKEXUKMXXZSY-JCGVRSQUSA-N 1 0 329.396 2.952 10 10 EFCERO COc1ccc(N2CC[C@H](NC(=O)c3ccc([C@@H](C)[NH3+])cc3)C2)cc1 ZINC000851639684 1251161646 /nfs/dbraw/zinc/16/16/46/1251161646.db2.gz JSCUHODIUNHUGR-PBHICJAKSA-N 1 0 339.439 2.724 10 10 EFCERO C[NH+]1CCN(c2ccc(CNC(=O)N3CCC(C)(C)CC3)cc2)CC1 ZINC001687441519 1252597468 /nfs/dbraw/zinc/59/74/68/1252597468.db2.gz PLIMOUMFRRLJRT-UHFFFAOYSA-N 1 0 344.503 2.770 10 10 EFCERO C[C@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)[C@@H]1CC1(C)C ZINC000785432038 1256298104 /nfs/dbraw/zinc/29/81/04/1256298104.db2.gz OMBMYLMUOJGPHW-ZVZYQTTQSA-N 1 0 329.488 2.913 10 10 EFCERO C[C@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)[C@H]1CC1(C)C ZINC000785432037 1256298840 /nfs/dbraw/zinc/29/88/40/1256298840.db2.gz OMBMYLMUOJGPHW-YXJHDRRASA-N 1 0 329.488 2.913 10 10 EFCERO COc1ccc(N2CCN(CC[NH2+][C@H](C)[C@H]3CC3(C)C)CC2)cc1 ZINC000785435437 1257095988 /nfs/dbraw/zinc/09/59/88/1257095988.db2.gz DEVFBZWZZAOQOP-VQIMIIECSA-N 1 0 331.504 2.841 10 10 EFCERO FC(F)(F)[C@@H]1CC[C@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)O1 ZINC000922463013 1266090246 /nfs/dbraw/zinc/09/02/46/1266090246.db2.gz QMZLZSUKPLAMBQ-CVEARBPZSA-N 1 0 344.377 2.723 10 10 EFCERO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000921583760 1257507026 /nfs/dbraw/zinc/50/70/26/1257507026.db2.gz ZZYIDSQTFVSTRT-CEXWTWQISA-N 1 0 330.472 2.818 10 10 EFCERO COc1ccccc1[C@H]1C[NH2+]CCN1Cc1ccc(N(C)C)cc1 ZINC000843117790 1260067887 /nfs/dbraw/zinc/06/78/87/1260067887.db2.gz TVSHVCZFEZSFRH-LJQANCHMSA-N 1 0 325.456 2.908 10 10 EFCERO [NH3+]C[C@@H]1CCc2ccccc2N1Cc1ccc(N2CCOCC2)cc1 ZINC000923388152 1261597024 /nfs/dbraw/zinc/59/70/24/1261597024.db2.gz AQGPIQKBCITSHG-FQEVSTJZSA-N 1 0 337.467 2.803 10 10 EFCERO Oc1cc(Br)ccc1C[NH2+][C@@H]1CCCC2(C1)OCCO2 ZINC000715707446 1262417144 /nfs/dbraw/zinc/41/71/44/1262417144.db2.gz FRXBFOKHMPXUDZ-CYBMUJFWSA-N 1 0 342.233 2.930 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2cc(F)c[nH]2)cc1C ZINC001485901562 1262482173 /nfs/dbraw/zinc/48/21/73/1262482173.db2.gz LNAOBHXJFYKZCI-ZDUSSCGKSA-N 1 0 333.407 2.721 10 10 EFCERO CCc1nc[nH]c1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001485951278 1262520599 /nfs/dbraw/zinc/52/05/99/1262520599.db2.gz VYBRSRPBDHWVAL-CQSZACIVSA-N 1 0 344.459 2.539 10 10 EFCERO CC[C@H](C)C[NH2+][C@H](C)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001485961647 1262561368 /nfs/dbraw/zinc/56/13/68/1262561368.db2.gz GGSQNDAVYIRJJE-QWHCGFSZSA-N 1 0 333.436 2.945 10 10 EFCERO COc1ccc(C[NH2+][C@@H]2CN(C(=O)COC(C)C)CC2(C)C)cc1C ZINC001486226528 1262793746 /nfs/dbraw/zinc/79/37/46/1262793746.db2.gz NRSDSJBLYLSTCC-GOSISDBHSA-N 1 0 348.487 2.755 10 10 EFCERO COc1cc(O)c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1OC ZINC000824696953 1278229746 /nfs/dbraw/zinc/22/97/46/1278229746.db2.gz VQJNQNHYYZCWIB-XHSDSOJGSA-N 1 0 335.444 2.925 10 10 EFCERO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1c2c(nn1C)CCOC2 ZINC000922187466 1264815585 /nfs/dbraw/zinc/81/55/85/1264815585.db2.gz HTIXQIDASZQGAK-HNNXBMFYSA-N 1 0 342.487 2.588 10 10 EFCERO COc1ccc(O)c([C@H](C)[NH2+]Cc2nc(Br)c[nH]2)c1 ZINC000922217650 1265011759 /nfs/dbraw/zinc/01/17/59/1265011759.db2.gz UDFFXQPCBKLLKP-QMMMGPOBSA-N 1 0 326.194 2.737 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)c3cc(C)on3)CCC2)cc1C ZINC001273040199 1266562310 /nfs/dbraw/zinc/56/23/10/1266562310.db2.gz DYFJKMYITTXQCO-UHFFFAOYSA-N 1 0 343.427 2.742 10 10 EFCERO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCCCC[C@@H]3C)CC2)cc1 ZINC000734002048 1266808107 /nfs/dbraw/zinc/80/81/07/1266808107.db2.gz KGEIKNPSKZGXRX-KRWDZBQOSA-N 1 0 345.487 2.608 10 10 EFCERO COC(=O)c1cnc(CC[NH2+]Cc2ccc3c(c2)CCCO3)s1 ZINC000922832487 1266955782 /nfs/dbraw/zinc/95/57/82/1266955782.db2.gz PNIKJNMNJSKCKK-UHFFFAOYSA-N 1 0 332.425 2.587 10 10 EFCERO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000824854277 1278316392 /nfs/dbraw/zinc/31/63/92/1278316392.db2.gz QBFCTXAMBAJZLS-OLZOCXBDSA-N 1 0 327.808 2.876 10 10 EFCERO COC(=O)c1oc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1C ZINC000825130533 1278424340 /nfs/dbraw/zinc/42/43/40/1278424340.db2.gz CEJRARDVLUPJRM-UHFFFAOYSA-N 1 0 344.411 2.501 10 10 EFCERO Cc1cc(O)c(C[N@H+](C)C[C@H]2CCS(=O)(=O)C2)cc1C(C)C ZINC000740866585 1269140929 /nfs/dbraw/zinc/14/09/29/1269140929.db2.gz FHXRUFBAJLSTCJ-CQSZACIVSA-N 1 0 325.474 2.691 10 10 EFCERO CCC(=O)N1CCC([NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000742217675 1269941083 /nfs/dbraw/zinc/94/10/83/1269941083.db2.gz AEVPCGJKSMPNRJ-UHFFFAOYSA-N 1 0 341.249 2.645 10 10 EFCERO CC[NH+]1CCN(c2ccc(CNC(=O)N3[C@H](C)C[C@H]3C)cc2F)CC1 ZINC000792077131 1278532360 /nfs/dbraw/zinc/53/23/60/1278532360.db2.gz WJZJGMNGDFSTSM-HUUCEWRRSA-N 1 0 348.466 2.660 10 10 EFCERO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H](C1CC1)[C@H]1CCCOC1 ZINC000922893628 1270771434 /nfs/dbraw/zinc/77/14/34/1270771434.db2.gz VLFNKHIWQPUYIB-ICSRJNTNSA-N 1 0 330.472 2.818 10 10 EFCERO CN(C)c1ccc(C[N@H+](C[C@H]2CN(C3CC3)C(=O)O2)C2CC2)cc1 ZINC000844276816 1278850143 /nfs/dbraw/zinc/85/01/43/1278850143.db2.gz INVHSEPDZDFEDH-SFHVURJKSA-N 1 0 329.444 2.700 10 10 EFCERO COc1ccc(N2CC[NH+](C[C@H](O)c3ccc(F)cc3C)CC2)cc1 ZINC000746651537 1275707866 /nfs/dbraw/zinc/70/78/66/1275707866.db2.gz BBRFFRCLCSILDD-FQEVSTJZSA-N 1 0 344.430 2.998 10 10 EFCERO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1C[C@H](CC)CC[C@@H]1C)cc2=O ZINC001170280379 1278994325 /nfs/dbraw/zinc/99/43/25/1278994325.db2.gz DDWXXYXPGLSJEW-QWHCGFSZSA-N 1 0 346.431 2.622 10 10 EFCERO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C[C@H](O)c1ccc(F)cn1 ZINC000819377554 1276762265 /nfs/dbraw/zinc/76/22/65/1276762265.db2.gz SUAXDQCECXFSEA-KUHUBIRLSA-N 1 0 331.435 2.849 10 10 EFCERO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C[C@@H](O)c1ccc(F)cn1 ZINC000819377552 1276762811 /nfs/dbraw/zinc/76/28/11/1276762811.db2.gz SUAXDQCECXFSEA-AUUYWEPGSA-N 1 0 331.435 2.849 10 10 EFCERO C[N@H+](Cc1c(O)cccc1Cl)C1CCN(c2cnccn2)CC1 ZINC000789770712 1276974026 /nfs/dbraw/zinc/97/40/26/1276974026.db2.gz QTTCEHHCFZEKHM-UHFFFAOYSA-N 1 0 332.835 2.936 10 10 EFCERO Cc1cc(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)ccc1N(C)C ZINC000815054625 1287270727 /nfs/dbraw/zinc/27/07/27/1287270727.db2.gz JQSCRDGVZSWVAV-IBGZPJMESA-N 1 0 331.504 2.748 10 10 EFCERO CCN(CC)c1ccc(C[NH2+][C@H](CO)C[C@H](O)C(C)(C)C)cc1F ZINC000790618890 1277700793 /nfs/dbraw/zinc/70/07/93/1277700793.db2.gz JPCPZGFATXZGHI-YJBOKZPZSA-N 1 0 340.483 2.920 10 10 EFCERO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000815093796 1287320921 /nfs/dbraw/zinc/32/09/21/1287320921.db2.gz SXBVTUIORMTTFH-SJORKVTESA-N 1 0 334.460 2.604 10 10 EFCERO CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CCCCCCCC1)cc2=O ZINC001170342468 1279049749 /nfs/dbraw/zinc/04/97/49/1279049749.db2.gz NWEQIWXKWATVOM-UHFFFAOYSA-N 1 0 346.431 2.768 10 10 EFCERO CN(C)c1ccc(C[NH2+]C2(CCO)CCOCC2)c(C(F)(F)F)c1 ZINC000792884326 1279234538 /nfs/dbraw/zinc/23/45/38/1279234538.db2.gz XMUXEURQNFJMFA-UHFFFAOYSA-N 1 0 346.393 2.793 10 10 EFCERO CCN(CC)c1ccc(CN2CCC([NH2+]CCOC)CC2)cc1F ZINC000844899450 1279322245 /nfs/dbraw/zinc/32/22/45/1279322245.db2.gz CHBNPGJFQIQXBX-UHFFFAOYSA-N 1 0 337.483 2.872 10 10 EFCERO CN(C)c1ccc(C[NH2+]C[C@]2(CCO)CCOC2)c(C(F)(F)F)c1 ZINC000793011412 1279327014 /nfs/dbraw/zinc/32/70/14/1279327014.db2.gz UOIQPKKGMIJWGE-INIZCTEOSA-N 1 0 346.393 2.650 10 10 EFCERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)[C@@H]1n1cccn1 ZINC000815167235 1287362837 /nfs/dbraw/zinc/36/28/37/1287362837.db2.gz VNJQEMDRGVBIKF-NXHRZFHOSA-N 1 0 332.423 2.597 10 10 EFCERO COc1cc(O)c(C[NH2+][C@@H](c2ccccc2F)[C@H](C)O)cc1OC ZINC000846015732 1279978242 /nfs/dbraw/zinc/97/82/42/1279978242.db2.gz DDFCGNKAKFFADB-BBATYDOGSA-N 1 0 335.375 2.760 10 10 EFCERO COc1cc(O)c(C[NH2+][C@H](c2ccccc2F)[C@H](C)O)cc1OC ZINC000846015734 1279978574 /nfs/dbraw/zinc/97/85/74/1279978574.db2.gz DDFCGNKAKFFADB-VOJFVSQTSA-N 1 0 335.375 2.760 10 10 EFCERO COC(=O)CC1([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000846027808 1279987626 /nfs/dbraw/zinc/98/76/26/1279987626.db2.gz VSENNAWHUVRPQU-UHFFFAOYSA-N 1 0 330.350 2.957 10 10 EFCERO COc1cc(O)c(C[NH2+][C@H](C)[C@@](C)(O)c2ccccc2)cc1OC ZINC000846037338 1279996038 /nfs/dbraw/zinc/99/60/38/1279996038.db2.gz MQYHKDOEGKSUDE-BFUOFWGJSA-N 1 0 331.412 2.795 10 10 EFCERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc(OC)c2O)[C@@H]1n1cccn1 ZINC000846169855 1280046083 /nfs/dbraw/zinc/04/60/83/1280046083.db2.gz KQLMOCZXLYYYSI-SDNTUTLCSA-N 1 0 331.416 2.667 10 10 EFCERO C[NH2+]Cc1ccccc1CNC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000846206125 1280052867 /nfs/dbraw/zinc/05/28/67/1280052867.db2.gz VVXIOFXXCMCTKQ-CYBMUJFWSA-N 1 0 343.427 2.681 10 10 EFCERO COc1cccc([C@@H](C)[NH2+][C@@H]2CCCc3c2ccc(=O)n3C)c1O ZINC000846217053 1280073231 /nfs/dbraw/zinc/07/32/31/1280073231.db2.gz YRSOPMBBTXBROJ-IUODEOHRSA-N 1 0 328.412 2.828 10 10 EFCERO CCN(CC)c1ccc(C[NH2+]C[C@H](O)C[C@@](C)(O)C2CC2)cc1F ZINC000872200918 1287473201 /nfs/dbraw/zinc/47/32/01/1287473201.db2.gz ODKGRRSJSVDPNZ-VQIMIIECSA-N 1 0 338.467 2.674 10 10 EFCERO CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CCOc3cc(N(C)C)ccc32)C1 ZINC001147887921 1281322654 /nfs/dbraw/zinc/32/26/54/1281322654.db2.gz GYUGRPHSZRWFMV-OAHLLOKOSA-N 1 0 331.460 2.598 10 10 EFCERO COC(=O)c1cc(C[NH2+]Cc2cc(Br)ccc2O)c[nH]1 ZINC000809713088 1282422252 /nfs/dbraw/zinc/42/22/52/1282422252.db2.gz YVUBPMVBCZIQIK-UHFFFAOYSA-N 1 0 339.189 2.559 10 10 EFCERO COC(=O)c1ccc(C[NH2+]Cc2cccc(OC)c2O)nc1C1CC1 ZINC000809759069 1282462765 /nfs/dbraw/zinc/46/27/65/1282462765.db2.gz ZGNRUNHYGQRHSN-UHFFFAOYSA-N 1 0 342.395 2.750 10 10 EFCERO COCC[C@@H](COC)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000810256758 1283107788 /nfs/dbraw/zinc/10/77/88/1283107788.db2.gz FVNPGTLJTRWQHP-JQWIXIFHSA-N 1 0 332.238 2.857 10 10 EFCERO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000813032934 1285598802 /nfs/dbraw/zinc/59/88/02/1285598802.db2.gz XTRNISZVFKKYSR-IBGZPJMESA-N 1 0 349.450 2.691 10 10 EFCERO CCO[C@@H](CNC(=O)c1ccc(-n2c(C)ccc2C)cc1)C[NH+](C)C ZINC001133571299 1285602157 /nfs/dbraw/zinc/60/21/57/1285602157.db2.gz BSBGFJCFFXHIHX-IBGZPJMESA-N 1 0 343.471 2.791 10 10 EFCERO O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc(Cl)c(F)cc2[O-])CN1 ZINC000816521944 1288199875 /nfs/dbraw/zinc/19/98/75/1288199875.db2.gz DZFMEOIQHCEYDK-YGRLFVJLSA-N 1 0 326.799 2.675 10 10 EFCERO O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2cc(Cl)c(F)cc2[O-])CN1 ZINC000816521942 1288200088 /nfs/dbraw/zinc/20/00/88/1288200088.db2.gz DZFMEOIQHCEYDK-IINYFYTJSA-N 1 0 326.799 2.675 10 10 EFCERO COC(=O)[C@]12C[N@H+](Cc3ccc4ccccc4c3O)C[C@H]1COCC2 ZINC000816596468 1288218249 /nfs/dbraw/zinc/21/82/49/1288218249.db2.gz DIYKADRQZOBEIN-OXJNMPFZSA-N 1 0 341.407 2.557 10 10 EFCERO CCOP(=O)(OCC)[C@H](O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000851949633 1299480624 /nfs/dbraw/zinc/48/06/24/1299480624.db2.gz GYZLXKNLZSOVDY-BBRMVZONSA-N 1 0 344.392 2.988 10 10 EFCERO Cc1cc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cc(C)n1 ZINC000817410589 1288590603 /nfs/dbraw/zinc/59/06/03/1288590603.db2.gz NKQMYNIPOATHAG-UHFFFAOYSA-N 1 0 329.419 2.964 10 10 EFCERO CNC(=O)[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000817414335 1288591944 /nfs/dbraw/zinc/59/19/44/1288591944.db2.gz FNOMXXXHZFYIFH-QGZVFWFLSA-N 1 0 340.423 2.539 10 10 EFCERO CC(C)[N@@H+](Cc1ccc(N(C)Cc2cccs2)cc1)C[C@@H](O)CO ZINC000817417580 1288594387 /nfs/dbraw/zinc/59/43/87/1288594387.db2.gz PXAWLLWQFGFPJD-GOSISDBHSA-N 1 0 348.512 2.948 10 10 EFCERO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)[C@@H]1CC12CC2 ZINC000817440977 1288610762 /nfs/dbraw/zinc/61/07/62/1288610762.db2.gz BMQDUZIIMBHRSC-IBGZPJMESA-N 1 0 339.483 2.635 10 10 EFCERO C[C@H](Cc1ccoc1)[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000824086116 1289537023 /nfs/dbraw/zinc/53/70/23/1289537023.db2.gz SKZIGJIFMOGOOT-CRAIPNDOSA-N 1 0 341.455 2.702 10 10 EFCERO Cc1cc(O)c(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)cc1C ZINC000824515676 1289678038 /nfs/dbraw/zinc/67/80/38/1289678038.db2.gz GQRHQWWXTYEJKI-OAHLLOKOSA-N 1 0 331.437 2.670 10 10 EFCERO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)c1 ZINC000824517498 1289678066 /nfs/dbraw/zinc/67/80/66/1289678066.db2.gz XABQKMKHQGFWHS-CHWSQXEVSA-N 1 0 347.436 2.623 10 10 EFCERO O=S1(=O)C[C@@H](C[NH2+]Cc2c(O)cccc2Cl)c2ccccc21 ZINC000824516708 1289678471 /nfs/dbraw/zinc/67/84/71/1289678471.db2.gz NKXHUSPJEFAHCB-LLVKDONJSA-N 1 0 337.828 2.706 10 10 EFCERO COc1cccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c1O ZINC000824636519 1289733818 /nfs/dbraw/zinc/73/38/18/1289733818.db2.gz RLDJQXVAWRRYFP-QFBILLFUSA-N 1 0 331.387 2.701 10 10 EFCERO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(Br)cc2O)C1 ZINC000825762713 1290441717 /nfs/dbraw/zinc/44/17/17/1290441717.db2.gz QXKVROOSVSTQGQ-MFKMUULPSA-N 1 0 342.233 2.976 10 10 EFCERO COc1ccc2ccc(O)c(C[N@@H+]3CCO[C@]4(CCCOC4)C3)c2c1 ZINC000795633714 1290706278 /nfs/dbraw/zinc/70/62/78/1290706278.db2.gz UUNDMLVKLQLJGN-HXUWFJFHSA-N 1 0 343.423 2.935 10 10 EFCERO COc1ncc(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)s1 ZINC000876998092 1291101767 /nfs/dbraw/zinc/10/17/67/1291101767.db2.gz BGZJBJXUZPNGJH-UHFFFAOYSA-N 1 0 333.457 2.919 10 10 EFCERO COC(=O)[C@@H](CC(C)C)[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000795869453 1291598892 /nfs/dbraw/zinc/59/88/92/1291598892.db2.gz XJPPVAFQWQIYMY-GOSISDBHSA-N 1 0 334.460 2.795 10 10 EFCERO CCOc1ccc(C[NH2+][C@H](C)[C@@H]2CCCN(C(=O)OC)C2)c(O)c1 ZINC000775347727 1291990299 /nfs/dbraw/zinc/99/02/99/1291990299.db2.gz QPFMRWNUFLAELX-UKRRQHHQSA-N 1 0 336.432 2.747 10 10 EFCERO CC[NH+]1CCN(c2ccc(CNC(=O)C3(C4CC4)CC3)cc2F)CC1 ZINC000888840012 1292650596 /nfs/dbraw/zinc/65/05/96/1292650596.db2.gz XAHLYUQXLBSXNT-UHFFFAOYSA-N 1 0 345.462 2.774 10 10 EFCERO CN1C[C@@H]([NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)CCC1=O ZINC000796310564 1292861109 /nfs/dbraw/zinc/86/11/09/1292861109.db2.gz PUJJUDFXAWVSII-FQEVSTJZSA-N 1 0 349.478 2.960 10 10 EFCERO CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2CCCC23CC3)[NH+](C)C)cc1 ZINC001234168871 1313073123 /nfs/dbraw/zinc/07/31/23/1313073123.db2.gz CVKCPSRPQFJIGD-QZTJIDSGSA-N 1 0 344.503 2.987 10 10 EFCERO C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccccc1O ZINC001197004716 1294433706 /nfs/dbraw/zinc/43/37/06/1294433706.db2.gz VDJYWPQTZQRGBI-LBPRGKRZSA-N 1 0 329.356 2.614 10 10 EFCERO COc1cccc(O)c1C[NH2+]CC[C@H]1CCC2(CCOCC2)CO1 ZINC000886300676 1294833635 /nfs/dbraw/zinc/83/36/35/1294833635.db2.gz NKEXNSYEEQXICT-OAHLLOKOSA-N 1 0 335.444 2.856 10 10 EFCERO CCOc1cccc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)[C@H]3C)O2)c1O ZINC000886340888 1294875313 /nfs/dbraw/zinc/87/53/13/1294875313.db2.gz MZMVMHSUDSDGDL-GTACMHHNSA-N 1 0 335.444 2.853 10 10 EFCERO C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)c1cccnc1 ZINC001199067871 1295412177 /nfs/dbraw/zinc/41/21/77/1295412177.db2.gz HQXLUGMTIBLAFZ-HNNXBMFYSA-N 1 0 328.435 2.823 10 10 EFCERO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1cc(Cl)cc(C)c1O ZINC000776013182 1295660617 /nfs/dbraw/zinc/66/06/17/1295660617.db2.gz LEFCRWYLUVRAGM-HUUCEWRRSA-N 1 0 341.835 2.897 10 10 EFCERO CCn1ccnc1C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001275396494 1296267163 /nfs/dbraw/zinc/26/71/63/1296267163.db2.gz YMKKPROAUCUXCG-HUUCEWRRSA-N 1 0 344.459 2.517 10 10 EFCERO Cc1cc(Br)cc(C[NH2+]C2CCC(C(N)=O)CC2)c1O ZINC000776175517 1296812855 /nfs/dbraw/zinc/81/28/55/1296812855.db2.gz OASSBBDVIBTAKB-UHFFFAOYSA-N 1 0 341.249 2.597 10 10 EFCERO C[C@@H]1COC[C@@H](C)C1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000926560067 1296934679 /nfs/dbraw/zinc/93/46/79/1296934679.db2.gz QUUMHCQJIXBIAO-CHWSQXEVSA-N 1 0 340.414 2.562 10 10 EFCERO Nc1ccc2c(c1)C[N@@H+](Cc1ccc(N3CCOCC3)cc1)CCO2 ZINC000903947270 1313469547 /nfs/dbraw/zinc/46/95/47/1313469547.db2.gz PLUBNYIAGLOMMF-UHFFFAOYSA-N 1 0 339.439 2.500 10 10 EFCERO Cc1cc(Cl)cc(C[NH2+]C[C@](C)(O)C(=O)OC(C)(C)C)c1O ZINC000776519914 1299343496 /nfs/dbraw/zinc/34/34/96/1299343496.db2.gz DYICCVSYYOOMHO-INIZCTEOSA-N 1 0 329.824 2.536 10 10 EFCERO CCOP(=O)(OCC)[C@@H](O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000851899820 1299455231 /nfs/dbraw/zinc/45/52/31/1299455231.db2.gz HDVPHTBVECHDFE-XHDPSFHLSA-N 1 0 347.348 2.636 10 10 EFCERO CCN(CC)c1ccc(CNC(=O)c2cc(C(C)(C)[NH3+])no2)cc1F ZINC000852866504 1299918500 /nfs/dbraw/zinc/91/85/00/1299918500.db2.gz JAGMIVPFQJUXBA-UHFFFAOYSA-N 1 0 348.422 2.784 10 10 EFCERO CCN(CC)c1ccc(CNC(=O)C2([NH3+])CC3(CCC3)C2)cc1F ZINC000852866519 1299918683 /nfs/dbraw/zinc/91/86/83/1299918683.db2.gz JFXYBUJCDHITQP-UHFFFAOYSA-N 1 0 333.451 2.950 10 10 EFCERO Cc1cc(C(=O)N2CC3CC2(C[NH3+])C3)c(C)n1-c1ccc(F)cc1 ZINC000852909351 1299934348 /nfs/dbraw/zinc/93/43/48/1299934348.db2.gz SDMAQCWMYIYFFY-UHFFFAOYSA-N 1 0 327.403 2.797 10 10 EFCERO O=C1N=C(N2CCCCC2)S/C1=C\c1ccnn1-c1cc[nH+]cc1 ZINC000853003398 1299965021 /nfs/dbraw/zinc/96/50/21/1299965021.db2.gz KCYZFORZKCFQIX-QINSGFPZSA-N 1 0 339.424 2.724 10 10 EFCERO CCCc1nccnc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000853027371 1299977045 /nfs/dbraw/zinc/97/70/45/1299977045.db2.gz ATEGFEAOTCMQOX-UHFFFAOYSA-N 1 0 325.460 2.793 10 10 EFCERO CCN(CC)c1ccc(CNC(=O)N(CC)[C@@H]2CC[N@H+](C)C2)cc1 ZINC000853456600 1300121484 /nfs/dbraw/zinc/12/14/84/1300121484.db2.gz MIAFHJVMZDNOBM-GOSISDBHSA-N 1 0 332.492 2.768 10 10 EFCERO Oc1cc2c(cc1C[N@@H+]1CC3(CCC3)[C@H]1c1ccncc1)[C@H](O)CO2 ZINC000853632601 1300203786 /nfs/dbraw/zinc/20/37/86/1300203786.db2.gz HVXSBUOUGLYFSZ-IEBWSBKVSA-N 1 0 338.407 2.940 10 10 EFCERO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1cc(Cl)c(C)cc1O ZINC000825549983 1300467197 /nfs/dbraw/zinc/46/71/97/1300467197.db2.gz VHCUKFJGKVWQDR-KGLIPLIRSA-N 1 0 341.835 2.897 10 10 EFCERO COc1ccc(-n2c(C)cc(C(=O)N(C)CC3C[NH+](C)C3)c2C)cc1 ZINC000855640071 1301041052 /nfs/dbraw/zinc/04/10/52/1301041052.db2.gz RZOHYYGKABWUEG-UHFFFAOYSA-N 1 0 341.455 2.736 10 10 EFCERO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C12CC(C1)C2 ZINC000860534909 1301838202 /nfs/dbraw/zinc/83/82/02/1301838202.db2.gz UHUBLKNCEBGLGR-UHFFFAOYSA-N 1 0 339.483 2.635 10 10 EFCERO C[C@H]1CC[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2[O-])C[NH2+]1 ZINC000861690358 1302189898 /nfs/dbraw/zinc/18/98/98/1302189898.db2.gz NTLHAKARVBUZLC-KWQFWETISA-N 1 0 332.231 2.639 10 10 EFCERO CCOc1cccc(C[NH+]2CCC(CC)(N3CCOCC3)CC2)c1O ZINC000862535630 1302408238 /nfs/dbraw/zinc/40/82/38/1302408238.db2.gz UMZQHBHBOZBMME-UHFFFAOYSA-N 1 0 348.487 2.868 10 10 EFCERO C[C@H](N[C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(N2CCOCC2)cc1Cl ZINC000863545407 1302645559 /nfs/dbraw/zinc/64/55/59/1302645559.db2.gz RBLXLGHPSVUCGZ-ILXRZTDVSA-N 1 0 337.895 2.968 10 10 EFCERO Fc1ccc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)nn1 ZINC000865652701 1303353116 /nfs/dbraw/zinc/35/31/16/1303353116.db2.gz IKNMVLNPSHIJSS-UHFFFAOYSA-N 1 0 341.434 2.760 10 10 EFCERO CC(C)(O)CN1CC[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000865657859 1303354876 /nfs/dbraw/zinc/35/48/76/1303354876.db2.gz AMGVHMIKMUGNAH-SFHVURJKSA-N 1 0 331.504 2.612 10 10 EFCERO CN(C)c1ccc(C[NH2+]CC[C@H](O)C(F)F)c(C(F)(F)F)c1 ZINC000865687296 1303367102 /nfs/dbraw/zinc/36/71/02/1303367102.db2.gz AYZCISNJQSVBHK-LBPRGKRZSA-N 1 0 326.309 2.877 10 10 EFCERO COc1ccc(N2CCC([NH2+][C@@H]3[C@H]4C[C@H]5CO[C@H]3[C@H]5C4)CC2)cc1 ZINC000865697503 1303368910 /nfs/dbraw/zinc/36/89/10/1303368910.db2.gz YMWUCKXEOVJTHL-YJKZWKBDSA-N 1 0 328.456 2.677 10 10 EFCERO Fc1cc(C[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)ccc1N1CCOCC1 ZINC000865761657 1303390353 /nfs/dbraw/zinc/39/03/53/1303390353.db2.gz HKKXJQGWPWDTLM-YLJYHZDGSA-N 1 0 348.462 2.957 10 10 EFCERO Fc1cc(C[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)ccc1N1CCOCC1 ZINC000865785725 1303399777 /nfs/dbraw/zinc/39/97/77/1303399777.db2.gz ZJLYNQHCPMTODT-ROUUACIJSA-N 1 0 348.462 2.815 10 10 EFCERO CC[C@@H]1C[N@H+](C)CCCN1c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000865925738 1303456691 /nfs/dbraw/zinc/45/66/91/1303456691.db2.gz MDHCONRPLLPSOA-LOWQCSRCSA-N 1 0 347.415 2.702 10 10 EFCERO COc1cc([N+](=O)[O-])c(N2CCC3(CC2)CC[NH+](C)CC3)cc1OC ZINC000866055408 1303505227 /nfs/dbraw/zinc/50/52/27/1303505227.db2.gz WTXSHQMBIQSHJN-UHFFFAOYSA-N 1 0 349.431 2.924 10 10 EFCERO C[C@H]([NH2+]CC[C@@H](O)C(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000866442202 1303641691 /nfs/dbraw/zinc/64/16/91/1303641691.db2.gz GTQNMPMCDICEAF-XHDPSFHLSA-N 1 0 348.821 2.843 10 10 EFCERO C[C@H]([NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23)c1ccc(N2CCOCC2)c(F)c1 ZINC000866446564 1303644490 /nfs/dbraw/zinc/64/44/90/1303644490.db2.gz GDMOHODHCCOUGS-PDTRWMKNSA-N 1 0 346.446 2.736 10 10 EFCERO CC(C)(C)OC(=O)CN1CCC([NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000866528192 1303673932 /nfs/dbraw/zinc/67/39/32/1303673932.db2.gz WFCGIDZGZFYNLD-INIZCTEOSA-N 1 0 346.471 2.775 10 10 EFCERO C[C@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1ccc2ccccc2c1O ZINC000866573622 1303693794 /nfs/dbraw/zinc/69/37/94/1303693794.db2.gz XQZSRMWPJUDVNJ-LBPRGKRZSA-N 1 0 336.457 2.511 10 10 EFCERO C[C@H](NC(=O)NCC1CC[NH+](CC2CC2)CC1)c1ccccc1O ZINC000868792044 1304478577 /nfs/dbraw/zinc/47/85/77/1304478577.db2.gz YGJJYARYHATTIS-AWEZNQCLSA-N 1 0 331.460 2.874 10 10 EFCERO CC1([NH+]2CCCC2)CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000870256365 1305227710 /nfs/dbraw/zinc/22/77/10/1305227710.db2.gz GKBQDPIZDWOKIE-FNORWQNLSA-N 1 0 330.428 2.588 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)COC(C)C)C2)cc1C ZINC001278357895 1314256799 /nfs/dbraw/zinc/25/67/99/1314256799.db2.gz WCPFBMASOFVNRY-RDJZCZTQSA-N 1 0 334.460 2.508 10 10 EFCERO O=S1(=O)CCN(c2ccc(C[NH2+][C@H]3CC[C@@H]3C3CCC3)cc2)CC1 ZINC000800970516 1308764060 /nfs/dbraw/zinc/76/40/60/1308764060.db2.gz BIDFOZSRGQUZLK-MOPGFXCFSA-N 1 0 348.512 2.590 10 10 EFCERO CCCCOCC(=O)N1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@@H]1C ZINC001278365110 1314286924 /nfs/dbraw/zinc/28/69/24/1314286924.db2.gz RHCZUUZGIGDASE-FUHWJXTLSA-N 1 0 348.487 2.899 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3CCC[C@H]3OC)CC2)cc1C ZINC001277102062 1311618387 /nfs/dbraw/zinc/61/83/87/1311618387.db2.gz PPIXCVYAOUTPLN-SJLPKXTDSA-N 1 0 346.471 2.557 10 10 EFCERO CN(C)c1ccc([C@@H](CNC(=O)NC/C=C/C2CC2)[NH+](C)C)cc1 ZINC001229247453 1312067687 /nfs/dbraw/zinc/06/76/87/1312067687.db2.gz AAXIUERZIWPCNE-DUMMIQTOSA-N 1 0 330.476 2.621 10 10 EFCERO C[C@H]([NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)c1ccc(N2CCOCC2)cc1 ZINC000902766527 1312087878 /nfs/dbraw/zinc/08/78/78/1312087878.db2.gz MRGCYZKEPWMAOI-QDBYVIKHSA-N 1 0 342.483 2.987 10 10 EFCERO CCCn1cc([C@@H](C)[NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)nn1 ZINC000903026987 1312292356 /nfs/dbraw/zinc/29/23/56/1312292356.db2.gz YCROHFAZMLFXLX-CVEARBPZSA-N 1 0 343.475 2.874 10 10 EFCERO COc1ccc(N2CC[C@@H]([NH2+][C@H]3CC[C@@H]4[C@H]5OCC[C@H]5[C@@H]43)C2)cc1 ZINC000903046801 1312308006 /nfs/dbraw/zinc/30/80/06/1312308006.db2.gz AWNRDJIOFSORHD-PXSKOOJESA-N 1 0 328.456 2.677 10 10 EFCERO COc1cccc([C@@H](C)[NH2+]CC2CCC(S(C)(=O)=O)CC2)c1O ZINC000903149621 1312411228 /nfs/dbraw/zinc/41/12/28/1312411228.db2.gz GSAPHDCOIIPLRM-IYXRBSQSSA-N 1 0 341.473 2.655 10 10 EFCERO Cc1ccc(O)c([C@H](C)[NH2+]CC2CCC(S(C)(=O)=O)CC2)c1 ZINC000903153695 1312414531 /nfs/dbraw/zinc/41/45/31/1312414531.db2.gz HYWQQOXFVNHTRW-NFOMZHRRSA-N 1 0 325.474 2.955 10 10 EFCERO C[C@H]1C[C@H]([NH2+]CC2(C3(O)CCOCC3)CC2)c2c1c(F)ccc2O ZINC000903346460 1312585718 /nfs/dbraw/zinc/58/57/18/1312585718.db2.gz HJQDFWODRZEHAU-JSGCOSHPSA-N 1 0 335.419 2.991 10 10 EFCERO CC[C@@H](F)C[NH2+]C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001276711161 1314688481 /nfs/dbraw/zinc/68/84/81/1314688481.db2.gz DZQMTDWVSQAHHR-HIFRSBDPSA-N 1 0 349.410 2.695 10 10 EFCERO COc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC000179473428 1314702940 /nfs/dbraw/zinc/70/29/40/1314702940.db2.gz LIHHMUVRYJMWAZ-CQSZACIVSA-N 1 0 336.432 2.842 10 10 EFCERO CN(C)c1ccc([C@@H](CNC(=O)N2C[C@@H]3[C@H](C2)C3(C)C)[NH+](C)C)cc1 ZINC001251501039 1315352071 /nfs/dbraw/zinc/35/20/71/1315352071.db2.gz MSDWJRHGKZPVNL-FGTMMUONSA-N 1 0 344.503 2.653 10 10 EFCERO CC1(C)CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1[NH2+]CCCF ZINC001278689808 1315544188 /nfs/dbraw/zinc/54/41/88/1315544188.db2.gz JDYMFJUBPSWQAP-AWEZNQCLSA-N 1 0 349.410 2.649 10 10 EFCERO Cc1cc(Br)cc(C[N@@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)c1O ZINC000827151487 1315602027 /nfs/dbraw/zinc/60/20/27/1315602027.db2.gz CHVDRXYOAAZILO-YABSGUDNSA-N 1 0 328.250 2.912 10 10 EFCERO Cc1cc(O)c(C[N@H+]2CC[C@H](N(C)C(=O)N(C)C)C2)c(Cl)c1 ZINC000827544932 1315998058 /nfs/dbraw/zinc/99/80/58/1315998058.db2.gz OKCMRTNOLICYEN-LBPRGKRZSA-N 1 0 325.840 2.542 10 10 EFCERO CC[C@H](CNC(=O)c1oc(C)nc1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001318511253 1328625442 /nfs/dbraw/zinc/62/54/42/1328625442.db2.gz GWDXZRVIOCZOHH-MRXNPFEDSA-N 1 0 345.443 2.907 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H](F)C(C)C)C2)cc1C ZINC001263840472 1316567949 /nfs/dbraw/zinc/56/79/49/1316567949.db2.gz IHLRYDVMIJBULB-JZXOWHBKSA-N 1 0 336.451 2.982 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H](F)C(C)C)C2)cc1C ZINC001263840473 1316567966 /nfs/dbraw/zinc/56/79/66/1316567966.db2.gz IHLRYDVMIJBULB-SOLBZPMBSA-N 1 0 336.451 2.982 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)C[C@H]3CCCO3)C2)cc1C ZINC001264415690 1316613956 /nfs/dbraw/zinc/61/39/56/1316613956.db2.gz AOYQHPIGFLNKFU-KZNAEPCWSA-N 1 0 346.471 2.557 10 10 EFCERO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@]3(C)C=CCC3)cc2F)CC1 ZINC001265011861 1316688895 /nfs/dbraw/zinc/68/88/95/1316688895.db2.gz DSZJJXPCIPSTMP-FQEVSTJZSA-N 1 0 345.462 2.940 10 10 EFCERO CC[C@@H](C)C[NH2+][C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001265382854 1316793457 /nfs/dbraw/zinc/79/34/57/1316793457.db2.gz VXPJGMZVAQZSLR-WBMJQRKESA-N 1 0 345.447 2.993 10 10 EFCERO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C3(CCF)CC3)C2)cc1C ZINC001265440531 1316806251 /nfs/dbraw/zinc/80/62/51/1316806251.db2.gz VWKPDRNCCFKGHN-INIZCTEOSA-N 1 0 334.435 2.834 10 10 EFCERO COC[C@H](C)[C@H](C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001265481666 1316812074 /nfs/dbraw/zinc/81/20/74/1316812074.db2.gz QTWRFZGMFGPYMU-LAQRGFTBSA-N 1 0 348.487 2.659 10 10 EFCERO CCC[NH2+]C[C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001265636135 1316839524 /nfs/dbraw/zinc/83/95/24/1316839524.db2.gz FCPTXXVRUTZVMN-CYBMUJFWSA-N 1 0 331.420 2.701 10 10 EFCERO CCO[C@@H](C)C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001265661706 1316847803 /nfs/dbraw/zinc/84/78/03/1316847803.db2.gz ITHDYPFTBPLGGB-WMZOPIPTSA-N 1 0 348.487 2.899 10 10 EFCERO CCC[NH2+]C[C@H]1CCCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001265693440 1316856710 /nfs/dbraw/zinc/85/67/10/1316856710.db2.gz JMXMZELCRHDEBH-OAHLLOKOSA-N 1 0 331.420 2.843 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2cnn(C(C)C)c2)cc1C ZINC001265851717 1316891974 /nfs/dbraw/zinc/89/19/74/1316891974.db2.gz RHFAGKGESIYJFA-HNNXBMFYSA-N 1 0 344.459 2.689 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@@H]2CCCCO2)cc1C ZINC001266136607 1317086407 /nfs/dbraw/zinc/08/64/07/1317086407.db2.gz FRFWZONXBZPXGC-QAPCUYQASA-N 1 0 334.460 2.557 10 10 EFCERO COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@@H](OC)C(C)C)C2)cc1C ZINC001279288024 1317225976 /nfs/dbraw/zinc/22/59/76/1317225976.db2.gz HFKQWAKUWTVMAI-TVPLGVNVSA-N 1 0 348.487 2.754 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@H]3C[C@H](C)CO3)CCC2)cc1C ZINC001280493418 1317587743 /nfs/dbraw/zinc/58/77/43/1317587743.db2.gz KYMJQCQXKUWQAE-KBXCAEBGSA-N 1 0 346.471 2.557 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)Cc3ccco3)CCC2)cc1C ZINC001280521441 1317600571 /nfs/dbraw/zinc/60/05/71/1317600571.db2.gz NGXDVYFKASSWPI-UHFFFAOYSA-N 1 0 342.439 2.968 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2ccc(C)n2C)cc1C ZINC001282098478 1318726021 /nfs/dbraw/zinc/72/60/21/1318726021.db2.gz WSSFXMAMBOZKSZ-CVEARBPZSA-N 1 0 343.471 2.947 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2ccc(C)n2C)cc1C ZINC001282098481 1318726081 /nfs/dbraw/zinc/72/60/81/1318726081.db2.gz WSSFXMAMBOZKSZ-JKSUJKDBSA-N 1 0 343.471 2.947 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CC2(OC)CCC2)cc1C ZINC001282120998 1318738959 /nfs/dbraw/zinc/73/89/59/1318738959.db2.gz ADYHSCQYZBKDHE-HZPDHXFCSA-N 1 0 348.487 2.946 10 10 EFCERO C[C@@H]([NH2+]CCC1CC1)[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001282241185 1318799975 /nfs/dbraw/zinc/79/99/75/1318799975.db2.gz IOLGPADCGUFDEO-NEPJUHHUSA-N 1 0 331.420 2.746 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)C[C@@H](C)OC)CCCC2)cc1C ZINC001319341039 1328857595 /nfs/dbraw/zinc/85/75/95/1328857595.db2.gz POROSAQNVWMUPA-MRXNPFEDSA-N 1 0 348.487 2.947 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc1C ZINC001283676726 1319950451 /nfs/dbraw/zinc/95/04/51/1319950451.db2.gz DGGOFJQICNPPAT-WFEDQXDTSA-N 1 0 346.471 2.508 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)c2ccnc(F)c2)cc1C ZINC001319431703 1328883619 /nfs/dbraw/zinc/88/36/19/1328883619.db2.gz VVQJIRCRSLXTIK-AWEZNQCLSA-N 1 0 345.418 2.788 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2ccc(F)nc2)cc1C ZINC001319436663 1328884930 /nfs/dbraw/zinc/88/49/30/1328884930.db2.gz KONRDUUAILFOSD-CQSZACIVSA-N 1 0 345.418 2.788 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)c2c(C)ccn2C)cc1C ZINC001319447940 1328888404 /nfs/dbraw/zinc/88/84/04/1328888404.db2.gz GHYBDFZASWXHFH-INIZCTEOSA-N 1 0 343.471 2.901 10 10 EFCERO COc1ccc(C[NH2+]C2CC(N(C)C(=O)CCCC(C)=O)C2)cc1C ZINC001284740309 1320502828 /nfs/dbraw/zinc/50/28/28/1320502828.db2.gz IGMYJSYSBKURKL-UHFFFAOYSA-N 1 0 346.471 2.842 10 10 EFCERO COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@@H](OC)C3CC3)C2)cc1C ZINC001284762404 1320515969 /nfs/dbraw/zinc/51/59/69/1320515969.db2.gz TYRVKQJIZPYTGR-TVPLGVNVSA-N 1 0 346.471 2.508 10 10 EFCERO CC[C@@H]1CCO[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001319476023 1328896602 /nfs/dbraw/zinc/89/66/02/1328896602.db2.gz MZOZTYRNGSBFBB-WDYCEAGBSA-N 1 0 348.487 2.755 10 10 EFCERO CC/C=C(\F)C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC001290319786 1321898321 /nfs/dbraw/zinc/89/83/21/1321898321.db2.gz ZHLIEOSHAHEWST-DVZOWYKESA-N 1 0 349.450 2.587 10 10 EFCERO CC(C)CC[NH+]1CCC(CNC(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001294301592 1322450310 /nfs/dbraw/zinc/45/03/10/1322450310.db2.gz GEYONJGQRQYGGJ-UHFFFAOYSA-N 1 0 334.460 2.515 10 10 EFCERO COC1CCC(C[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001320082114 1329071991 /nfs/dbraw/zinc/07/19/91/1329071991.db2.gz STEVWBCDCOERKD-UHFFFAOYSA-N 1 0 349.494 2.872 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2C[C@H]2c2ccco2)cc1C ZINC001491586079 1323725412 /nfs/dbraw/zinc/72/54/12/1323725412.db2.gz VESCJAGUVCOVKK-USXIJHARSA-N 1 0 342.439 2.995 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)Cc2ccc(C)nc2)cc1C ZINC001491673842 1323821896 /nfs/dbraw/zinc/82/18/96/1323821896.db2.gz KTTGRKXLNIXURE-MRXNPFEDSA-N 1 0 341.455 2.544 10 10 EFCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCCCO2)cc1C ZINC001320383892 1329120065 /nfs/dbraw/zinc/12/00/65/1329120065.db2.gz FNRDANSSWAPPSQ-CRAIPNDOSA-N 1 0 334.460 2.557 10 10 EFCERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccc(OCC)cc2)CC1 ZINC001320395181 1329123553 /nfs/dbraw/zinc/12/35/53/1329123553.db2.gz ROYSBSZHQPMUDN-LJQANCHMSA-N 1 0 345.487 2.608 10 10 EFCERO COCCCC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001491868928 1323969242 /nfs/dbraw/zinc/96/92/42/1323969242.db2.gz KRDPMTIOZVNPEL-MSOLQXFVSA-N 1 0 348.487 2.947 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2ccc(F)cn2)cc1C ZINC001492009299 1324127485 /nfs/dbraw/zinc/12/74/85/1324127485.db2.gz WMPMOJODFDMCBC-AWEZNQCLSA-N 1 0 345.418 2.836 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCCF)C2)cc1 ZINC001316671034 1324303580 /nfs/dbraw/zinc/30/35/80/1324303580.db2.gz LUTFZWMCMJWXJS-SWLSCSKDSA-N 1 0 349.410 2.697 10 10 EFCERO CCCN(CCC)c1ccc(C[NH+]2CCC(OCC(N)=O)CC2)cc1 ZINC001320509341 1329148772 /nfs/dbraw/zinc/14/87/72/1329148772.db2.gz NLZSLVKBVBUDSU-UHFFFAOYSA-N 1 0 347.503 2.779 10 10 EFCERO COC(=O)/C=C/c1ccc(N2CCC[C@@H]([NH2+]C(C)C)C2)c([N+](=O)[O-])c1 ZINC000749391218 1324657047 /nfs/dbraw/zinc/65/70/47/1324657047.db2.gz BUTSZYFJEQYEDZ-LOWQCSRCSA-N 1 0 347.415 2.748 10 10 EFCERO COC(=O)/C=C\c1ccc(N2CCC[C@@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000749391268 1324657700 /nfs/dbraw/zinc/65/77/00/1324657700.db2.gz CGNYZNDMYKEBEU-VIHMKRCTSA-N 1 0 347.415 2.559 10 10 EFCERO Cc1nnc(N(C)Cc2ccccc2O)n1CC1([NH+](C)C)CCCC1 ZINC001304795024 1324662497 /nfs/dbraw/zinc/66/24/97/1324662497.db2.gz VHTVQBXZTKMHLG-UHFFFAOYSA-N 1 0 343.475 2.803 10 10 EFCERO Cc1nnc(N(C)Cc2ccccc2O)n1CC[N@H+](C)C1CCCC1 ZINC001304793987 1324662676 /nfs/dbraw/zinc/66/26/76/1324662676.db2.gz AFCLTTRKFHMFGP-UHFFFAOYSA-N 1 0 343.475 2.803 10 10 EFCERO COc1ccc(N(C)CC[N@H+](C)C[C@@H](O)Cc2ccccc2)cc1 ZINC001307896495 1324785529 /nfs/dbraw/zinc/78/55/29/1324785529.db2.gz BIMXRQQHSQCJFQ-IBGZPJMESA-N 1 0 328.456 2.667 10 10 EFCERO CC1(C)CN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@H]1[NH3+] ZINC000903986110 1324858467 /nfs/dbraw/zinc/85/84/67/1324858467.db2.gz FSXAYIPEWDNVTF-QGZVFWFLSA-N 1 0 332.448 2.754 10 10 EFCERO CC[N@@H+]1CCN(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)[C@@H](C)C1 ZINC001312885043 1324998065 /nfs/dbraw/zinc/99/80/65/1324998065.db2.gz OAJINIVQNGVOIT-IRXDYDNUSA-N 1 0 346.519 2.728 10 10 EFCERO COc1ccc(C[NH2+][C@@H](CNC(=O)[C@H]2CC2(F)F)C2CC2)cc1C ZINC001317012269 1325481884 /nfs/dbraw/zinc/48/18/84/1325481884.db2.gz IEZYIMSXLMYXIU-CABCVRRESA-N 1 0 338.398 2.643 10 10 EFCERO CC(C)=CC[NH2+][C@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001317094313 1325556781 /nfs/dbraw/zinc/55/67/81/1325556781.db2.gz ZSBMEWDWPFMKGU-SHTZXODSSA-N 1 0 329.404 2.666 10 10 EFCERO CCCOCC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001317178942 1327693918 /nfs/dbraw/zinc/69/39/18/1327693918.db2.gz GMMPOKPEDWWIQB-GOSISDBHSA-N 1 0 348.487 2.901 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)COC(C)(C)C)cc1C ZINC001317387244 1327943598 /nfs/dbraw/zinc/94/35/98/1327943598.db2.gz BZMPOQHQJLEXLP-OAHLLOKOSA-N 1 0 336.476 2.803 10 10 EFCERO CCc1[nH]ccc1C(=O)N[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001321499674 1329391592 /nfs/dbraw/zinc/39/15/92/1329391592.db2.gz KLANJLWEEFSLTB-CQSZACIVSA-N 1 0 329.444 2.802 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)CC[C@H]2CCCCO2)cc1C ZINC001322004470 1329421901 /nfs/dbraw/zinc/42/19/01/1329421901.db2.gz QXTHXSUWMFPXGP-FUHWJXTLSA-N 1 0 348.487 2.947 10 10 EFCERO COc1ccc(C[NH2+]CCCN(C)C(=O)CC2CCOCC2)cc1C ZINC001322449814 1329459166 /nfs/dbraw/zinc/45/91/66/1329459166.db2.gz PBIZKBOVVOTREM-UHFFFAOYSA-N 1 0 348.487 2.758 10 10 EFCERO CC(C)C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001324286655 1329614065 /nfs/dbraw/zinc/61/40/65/1329614065.db2.gz RGKVHYALAIYSAN-HNNXBMFYSA-N 1 0 331.420 2.699 10 10 EFCERO CC(C)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1C ZINC001325597566 1329699666 /nfs/dbraw/zinc/69/96/66/1329699666.db2.gz FGYKSKVSORTSTC-DZGCQCFKSA-N 1 0 345.447 2.803 10 10 EFCERO C[NH+](C)CCC[C@H]1CN(Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001327802409 1330517267 /nfs/dbraw/zinc/51/72/67/1330517267.db2.gz DASMUAVWMBSIOH-FQEVSTJZSA-N 1 0 331.504 2.829 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2cncs2)cc1C ZINC001328994569 1330653898 /nfs/dbraw/zinc/65/38/98/1330653898.db2.gz FYBOTCZJQSMVIA-STQMWFEESA-N 1 0 333.457 2.757 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2c(C)ccn2C)cc1C ZINC001329026201 1330659047 /nfs/dbraw/zinc/65/90/47/1330659047.db2.gz FGQMVPBLJHIMKW-CVEARBPZSA-N 1 0 343.471 2.947 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2c[nH]cc2C)cc1C ZINC001329198473 1330679609 /nfs/dbraw/zinc/67/96/09/1330679609.db2.gz XEKSWKVBLHRJPX-HUUCEWRRSA-N 1 0 329.444 2.937 10 10 EFCERO COc1cc(C)cc(C[NH2+]C2(C(=O)Nc3ccccc3)CC2)c1O ZINC001331568209 1330854111 /nfs/dbraw/zinc/85/41/11/1330854111.db2.gz YEHOUERRLIUANP-UHFFFAOYSA-N 1 0 326.396 2.970 10 10 EFCERO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)COC(C)C)[C@H]2C)cc1C ZINC001331857842 1330881430 /nfs/dbraw/zinc/88/14/30/1330881430.db2.gz BUROZVLSAFMFHN-DOTOQJQBSA-N 1 0 334.460 2.508 10 10 EFCERO COC(=O)c1c(C[NH2+][C@@H]2CC[C@H](OC)C2)c2cc(F)ccc2n1C ZINC001332004611 1330903218 /nfs/dbraw/zinc/90/32/18/1330903218.db2.gz MIHACTVUAVLOPF-OLZOCXBDSA-N 1 0 334.391 2.761 10 10 EFCERO CC[C@@H](C)OCC(=O)N(C)C1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001333055951 1331072406 /nfs/dbraw/zinc/07/24/06/1331072406.db2.gz AZVHQJAOBJZMHL-FAEJEUNOSA-N 1 0 348.487 2.898 10 10 EFCERO C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)CCS1 ZINC001333519045 1331158557 /nfs/dbraw/zinc/15/85/57/1331158557.db2.gz JRNXWGNBOJDXBE-GOEBONIOSA-N 1 0 337.508 2.951 10 10 EFCERO CN(C)c1ccc(/C=C/C[N@@H+]2C[C@H](O)CC3(CCOCC3)C2)cc1 ZINC001333735016 1331204008 /nfs/dbraw/zinc/20/40/08/1331204008.db2.gz VSDBHGAWRMGHEL-GNAXCBTBSA-N 1 0 330.472 2.629 10 10 EFCERO Fc1cc(C[NH2+]C2CC3(CC3(F)F)C2)ccc1N1CCOCC1 ZINC001333846148 1331225003 /nfs/dbraw/zinc/22/50/03/1331225003.db2.gz IEZYQNIOVSGNTL-UHFFFAOYSA-N 1 0 326.362 2.940 10 10 EFCERO O=C(NCCC[NH+]1CCCCC1)c1cc2cc(O)c(O)cc2s1 ZINC001338291148 1331686110 /nfs/dbraw/zinc/68/61/10/1331686110.db2.gz ZBCXYZHWRUBSOY-UHFFFAOYSA-N 1 0 334.441 2.918 10 10 EFCERO CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CC[C@@H]2C[C@H](C)C[N@@H+]2C1 ZINC001349835986 1333003432 /nfs/dbraw/zinc/00/34/32/1333003432.db2.gz SARNVRHXIVNNTR-RRFJBIMHSA-N 1 0 337.460 2.615 10 10 EFCERO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)cc1 ZINC001350396921 1333075143 /nfs/dbraw/zinc/07/51/43/1333075143.db2.gz FTPICZOQWOPMOC-DMRZNYOFSA-N 1 0 337.414 2.550 10 10 EFCERO CCN(C(=O)NCc1ccc(N(C)C)c(F)c1)[C@H]1CC[N@H+](CC)C1 ZINC001350480624 1333087970 /nfs/dbraw/zinc/08/79/70/1333087970.db2.gz XRUGVLKWXQHQJT-HNNXBMFYSA-N 1 0 336.455 2.517 10 10 EFCERO Cc1cc(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)c(C)n1-c1ccccn1 ZINC001351024075 1333168751 /nfs/dbraw/zinc/16/87/51/1333168751.db2.gz APVYVRGUXKMSKM-CGTJXYLNSA-N 1 0 338.455 2.559 10 10 EFCERO Cc1cc(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)c(C)n1-c1ccccn1 ZINC001351024081 1333168902 /nfs/dbraw/zinc/16/89/02/1333168902.db2.gz APVYVRGUXKMSKM-RYQLBKOJSA-N 1 0 338.455 2.559 10 10 EFCERO CC[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@@H]1CCCCO1 ZINC000847077459 1333312219 /nfs/dbraw/zinc/31/22/19/1333312219.db2.gz GKNFNVPCZNXEJR-MOPGFXCFSA-N 1 0 347.503 2.648 10 10 EFCERO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CC2(CCCCC2)O1 ZINC000848504073 1334761283 /nfs/dbraw/zinc/76/12/83/1334761283.db2.gz ATWWZXKXARJZEG-CXAGYDPISA-N 1 0 333.428 2.742 10 10 EFCERO Cc1cc(C(O)=CONC(=[NH2+])[C@H]2C[C@H]2C)c(C)n1-c1ccc(F)cn1 ZINC000848517367 1334769390 /nfs/dbraw/zinc/76/93/90/1334769390.db2.gz DJPSIOUZCFIAIB-YGRLFVJLSA-N 1 0 344.390 2.965 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](C)N(C)C)c1O ZINC000848524330 1334772658 /nfs/dbraw/zinc/77/26/58/1334772658.db2.gz HWYKGUZPHUNJKL-NXEZZACHSA-N 1 0 331.254 2.764 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCCN2C)c1O ZINC000848526545 1334775011 /nfs/dbraw/zinc/77/50/11/1334775011.db2.gz AWGRHNOFLARXKM-JQWIXIFHSA-N 1 0 343.265 2.908 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+]Cc2cc[nH]n2)c1O ZINC000848529254 1334776111 /nfs/dbraw/zinc/77/61/11/1334776111.db2.gz TYQZAUATMCFZJF-QMMMGPOBSA-N 1 0 326.194 2.737 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](O)C(C)C)c1O ZINC000848530787 1334777559 /nfs/dbraw/zinc/77/75/59/1334777559.db2.gz KHRKDEMJFAMACO-SKDRFNHKSA-N 1 0 332.238 2.831 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](C)CCO)c1O ZINC000848531417 1334777729 /nfs/dbraw/zinc/77/77/29/1334777729.db2.gz ODOJXUTXMGKLIA-UWVGGRQHSA-N 1 0 332.238 2.832 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](CCO)C2CC2)c1O ZINC000848534707 1334780395 /nfs/dbraw/zinc/78/03/95/1334780395.db2.gz UFNMGKZBBBCPNL-RNCFNFMXSA-N 1 0 344.249 2.975 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+]Cc2ccn(C)n2)c1O ZINC000848535988 1334781332 /nfs/dbraw/zinc/78/13/32/1334781332.db2.gz JALNDGKKQGKOMM-SECBINFHSA-N 1 0 340.221 2.748 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)C(C)(C)O)c1O ZINC000848541657 1334785627 /nfs/dbraw/zinc/78/56/27/1334785627.db2.gz SJGZPYIURVQLMQ-DTWKUNHWSA-N 1 0 332.238 2.973 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](O)C2CCC2)c1O ZINC000848553590 1334792030 /nfs/dbraw/zinc/79/20/30/1334792030.db2.gz WKHVEUCMAAPKRS-RNCFNFMXSA-N 1 0 344.249 2.975 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CO[C@@H](C)C2)c1O ZINC000848554754 1334792535 /nfs/dbraw/zinc/79/25/35/1334792535.db2.gz BKYBHLWUACQLED-ATZCPNFKSA-N 1 0 330.222 2.991 10 10 EFCERO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H](C1CC1)[C@@H]1CCCCO1 ZINC000848560313 1334795598 /nfs/dbraw/zinc/79/55/98/1334795598.db2.gz LAFNECGIEXXLMU-PMACEKPBSA-N 1 0 330.472 2.961 10 10 EFCERO CCN(CC)c1ccc(CN(C)C(=O)N[C@@H](C[NH3+])C(F)(F)F)cc1 ZINC000848596472 1334808875 /nfs/dbraw/zinc/80/88/75/1334808875.db2.gz XNQHSWIBQHEUKK-AWEZNQCLSA-N 1 0 346.397 2.564 10 10 EFCERO CCc1cccc(C[NH2+][C@@H]2CCCN(c3cc(C)nn3C)C2)c1O ZINC000848908151 1334977882 /nfs/dbraw/zinc/97/78/82/1334977882.db2.gz XWRXMTZYTAIGDU-QGZVFWFLSA-N 1 0 328.460 2.755 10 10 EFCERO C[C@H](Cn1c(C2CCC2)nnc1N(C)Cc1ccccc1O)[NH+](C)C ZINC001360559098 1335943323 /nfs/dbraw/zinc/94/33/23/1335943323.db2.gz WIZPZIZNJJYPDI-CQSZACIVSA-N 1 0 343.475 2.838 10 10 EFCERO Cc1nnc(N(C)Cc2ccccc2O)n1C[C@H](C)C[NH+]1CCCC1 ZINC001492781907 1352985464 /nfs/dbraw/zinc/98/54/64/1352985464.db2.gz PMYTZBQFEWUJOO-OAHLLOKOSA-N 1 0 343.475 2.660 10 10 EFCERO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc(C)c(O)c3O)C2)cc1 ZINC001455017590 1394516227 /nfs/dbraw/zinc/51/62/27/1394516227.db2.gz YFMWQQNFVOBFJQ-MRXNPFEDSA-N 1 0 340.423 2.719 10 10 EFCERO CCC[N@H+](Cc1ccccc1O)[C@H](C)c1nc(-c2nc[nH]n2)no1 ZINC001459558150 1395932126 /nfs/dbraw/zinc/93/21/26/1395932126.db2.gz UXJFOHKYGWNERX-LLVKDONJSA-N 1 0 328.376 2.534 10 10 EFCERO C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C[NH+]1CCCCC1 ZINC001464354690 1396567804 /nfs/dbraw/zinc/56/78/04/1396567804.db2.gz LKJUQUJKBLBLIQ-CYBMUJFWSA-N 1 0 331.420 2.701 10 10 EFCERO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)COC(C)(C)C)[C@H]2C)cc1C ZINC001507278353 1406840093 /nfs/dbraw/zinc/84/00/93/1406840093.db2.gz OYXNNQGXECFPDT-DOTOQJQBSA-N 1 0 348.487 2.898 10 10 EFCERO C[NH+](C)C[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(Cl)cc1 ZINC001467488134 1396860860 /nfs/dbraw/zinc/86/08/60/1396860860.db2.gz VECZMLSCCREPSQ-HNNXBMFYSA-N 1 0 348.830 2.713 10 10 EFCERO CCCCC1(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001471190298 1397148726 /nfs/dbraw/zinc/14/87/26/1397148726.db2.gz ICUGTNLPZBNEFV-UHFFFAOYSA-N 1 0 344.503 2.960 10 10 EFCERO CN(C)c1ccc([C@H](CNC(=O)N[C@@]2(C)CC2(C)C)[NH+](C)C)cc1 ZINC001471548189 1397183225 /nfs/dbraw/zinc/18/32/25/1397183225.db2.gz RLRUWJCNBFVZTP-LPHOPBHVSA-N 1 0 332.492 2.843 10 10 EFCERO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC001478840376 1397591748 /nfs/dbraw/zinc/59/17/48/1397591748.db2.gz BANNNVMLZSCCEY-RDJZCZTQSA-N 1 0 346.519 2.633 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H](OC)C(C)C)C2)cc1C ZINC001479319075 1397682012 /nfs/dbraw/zinc/68/20/12/1397682012.db2.gz DCBMPDOZXFQYHH-SCTDSRPQSA-N 1 0 348.487 2.659 10 10 EFCERO CCCC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001507338288 1406907682 /nfs/dbraw/zinc/90/76/82/1406907682.db2.gz IVYVITQYJIWOPN-WFASDCNBSA-N 1 0 331.420 2.842 10 10 EFCERO COc1ccc(C[NH2+][C@H](CNC(=O)C[C@@H]2CCCO2)C2CC2)cc1C ZINC001480005429 1398084638 /nfs/dbraw/zinc/08/46/38/1398084638.db2.gz RZOXMEUYTYPRKB-ZWKOTPCHSA-N 1 0 346.471 2.557 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H](C)C(F)(F)F)C2)cc1C ZINC001480152624 1398128988 /nfs/dbraw/zinc/12/89/88/1398128988.db2.gz VCBIJZSWDNBMEV-MRVWCRGKSA-N 1 0 344.377 2.939 10 10 EFCERO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CC3(OC)CCC3)C2)cc1C ZINC001480614311 1398249563 /nfs/dbraw/zinc/24/95/63/1398249563.db2.gz OHPSJMGBVFSZSY-KRWDZBQOSA-N 1 0 346.471 2.653 10 10 EFCERO CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001507420485 1407034877 /nfs/dbraw/zinc/03/48/77/1407034877.db2.gz ITZPFZNWYJGPPB-SWLSCSKDSA-N 1 0 331.420 2.747 10 10 EFCERO CC[C@@H](CNC(=O)c1c(C)noc1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001494938365 1399568053 /nfs/dbraw/zinc/56/80/53/1399568053.db2.gz MXSIKALEUMELED-INIZCTEOSA-N 1 0 345.443 2.907 10 10 EFCERO CC[C@@H](CNC(=O)CC1CCOCC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001494954272 1399575790 /nfs/dbraw/zinc/57/57/90/1399575790.db2.gz UJHRXVQKVUUENR-SFHVURJKSA-N 1 0 348.487 2.805 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2scnc2C)cc1C ZINC001495623529 1400126522 /nfs/dbraw/zinc/12/65/22/1400126522.db2.gz SEKFQMKEZASXKV-LBPRGKRZSA-N 1 0 347.484 2.924 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2cscn2)cc1C ZINC001495662395 1400150372 /nfs/dbraw/zinc/15/03/72/1400150372.db2.gz SQJYYBQIJJOTKT-GFCCVEGCSA-N 1 0 333.457 2.616 10 10 EFCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)c2ccc(C)n2C)cc1C ZINC001497142647 1401182582 /nfs/dbraw/zinc/18/25/82/1401182582.db2.gz OVEADOKPVQYVNG-OAHLLOKOSA-N 1 0 343.471 2.949 10 10 EFCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)C[C@H]2CCCOC2)cc1C ZINC001497324172 1401302649 /nfs/dbraw/zinc/30/26/49/1401302649.db2.gz RVBGGLZOMASESA-SJLPKXTDSA-N 1 0 348.487 2.805 10 10 EFCERO CC(C)=CC[NH2+]CC[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001497332382 1401308274 /nfs/dbraw/zinc/30/82/74/1401308274.db2.gz ZAJBNSSUWFJHBN-ZDUSSCGKSA-N 1 0 331.420 2.913 10 10 EFCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)C[C@H]1CCCO1 ZINC001497361096 1401326620 /nfs/dbraw/zinc/32/66/20/1401326620.db2.gz YSCAGTPLRYHVQB-QGZVFWFLSA-N 1 0 334.460 2.511 10 10 EFCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)c1ncoc1C ZINC001497360797 1401326758 /nfs/dbraw/zinc/32/67/58/1401326758.db2.gz IGCNZYHAOIHGOL-UHFFFAOYSA-N 1 0 331.416 2.552 10 10 EFCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@]1(C)CCCOC1 ZINC001497474261 1401403048 /nfs/dbraw/zinc/40/30/48/1401403048.db2.gz UODFVLSYXYZLTE-HXUWFJFHSA-N 1 0 348.487 2.758 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2oc(C)nc2C)cc1C ZINC001498026005 1401818283 /nfs/dbraw/zinc/81/82/83/1401818283.db2.gz QTTNYAYAGCWNGN-LBPRGKRZSA-N 1 0 331.416 2.517 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@]23CCC[C@H]2OCC3)cc1C ZINC001498070618 1401841444 /nfs/dbraw/zinc/84/14/44/1401841444.db2.gz DVEKJMKMINUUDU-CVAIRZPRSA-N 1 0 346.471 2.557 10 10 EFCERO CCc1nnc(N(C)Cc2ccccc2O)n1CC[N@@H+](CC)C1CC1 ZINC001498676046 1402237451 /nfs/dbraw/zinc/23/74/51/1402237451.db2.gz WEIYGGBKDVDKFP-UHFFFAOYSA-N 1 0 343.475 2.667 10 10 EFCERO COc1ccc(C[NH2+]C[C@@]2(C)CCN(C(=O)COC(C)C)C2)cc1C ZINC001500324622 1403054007 /nfs/dbraw/zinc/05/40/07/1403054007.db2.gz LJQQXEGOBNPUJK-HXUWFJFHSA-N 1 0 348.487 2.757 10 10 EFCERO CCOCC(=O)N1CCC(C)([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001502766711 1404333283 /nfs/dbraw/zinc/33/32/83/1404333283.db2.gz MHPFFAIMOXQOKV-UHFFFAOYSA-N 1 0 334.460 2.511 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)COC2CCCC2)cc1C ZINC001505567341 1404786893 /nfs/dbraw/zinc/78/68/93/1404786893.db2.gz UGHUOHUJGUITDW-HOTGVXAUSA-N 1 0 348.487 2.946 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)Cc2ccco2)cc1C ZINC001505712935 1404970338 /nfs/dbraw/zinc/97/03/38/1404970338.db2.gz HIWNONUSYOUIRG-HUUCEWRRSA-N 1 0 330.428 2.822 10 10 EFCERO CC(C)=CC[NH2+][C@H](C)[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001505765474 1405040897 /nfs/dbraw/zinc/04/08/97/1405040897.db2.gz SSWWGIJVKQHIKU-CHWSQXEVSA-N 1 0 331.420 2.912 10 10 EFCERO CC[C@@H](C)[C@@H](C(=O)OC)[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC001559492312 1415249372 /nfs/dbraw/zinc/24/93/72/1415249372.db2.gz LXSFTPVNFMDSHZ-QAPCUYQASA-N 1 0 334.460 2.795 10 10 EFCERO CNC(=O)N[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)c(C)c2)C1 ZINC001560142650 1415265016 /nfs/dbraw/zinc/26/50/16/1415265016.db2.gz YXUGVKPFNFQELD-SFHVURJKSA-N 1 0 344.503 2.879 10 10 EFCERO Cc1cc(C[N@@H+]2CCN(c3cnccn3)[C@@H](C)C2)ccc1N(C)C ZINC001560239567 1415269327 /nfs/dbraw/zinc/26/93/27/1415269327.db2.gz JFUOUNGDGALUBD-INIZCTEOSA-N 1 0 325.460 2.562 10 10 EFCERO C[C@@H]1CC[C@H](NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC001565355433 1415394598 /nfs/dbraw/zinc/39/45/98/1415394598.db2.gz KZJSTZMQHVBASR-HFTRVMKXSA-N 1 0 332.492 2.843 10 10 EFCERO CCOCC(=O)N1CCC([C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001567619885 1416213508 /nfs/dbraw/zinc/21/35/08/1416213508.db2.gz HMNOAMCEDHWKFR-MRXNPFEDSA-N 1 0 348.487 2.757 10 10 EFCERO COc1ccc(C[NH2+]CC2(NC(=O)[C@H]3CCCO3)CCCC2)cc1C ZINC001567993195 1416352864 /nfs/dbraw/zinc/35/28/64/1416352864.db2.gz PBKLGAFNYKAWQX-GOSISDBHSA-N 1 0 346.471 2.701 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2oc(C)nc2C)cc1C ZINC001568164469 1416431041 /nfs/dbraw/zinc/43/10/41/1416431041.db2.gz NNOPRRDJOOVSGD-LBPRGKRZSA-N 1 0 345.443 2.764 10 10 EFCERO CC[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001568185093 1416435743 /nfs/dbraw/zinc/43/57/43/1416435743.db2.gz KELXLBFVSXHITQ-QGTPRVQTSA-N 1 0 348.487 2.661 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@]2(C)CCCOC2)cc1C ZINC001568202418 1416439898 /nfs/dbraw/zinc/43/98/98/1416439898.db2.gz UAXYFGRHMPZCIC-FOIQADDNSA-N 1 0 348.487 2.662 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2cccnc2C)cc1C ZINC001568294602 1416468809 /nfs/dbraw/zinc/46/88/09/1416468809.db2.gz GVRGDIFUBLMCHY-OAHLLOKOSA-N 1 0 341.455 2.957 10 10 EFCERO COc1ccc2c(c1)C[C@@H](C(C)C)CN2C[C@@H](O)C[N@H+](C)C1CC1 ZINC001646305979 1416644680 /nfs/dbraw/zinc/64/46/80/1416644680.db2.gz GLTXUYMJWJBWOA-AEFFLSMTSA-N 1 0 332.488 2.785 10 10 EFCERO CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2C[C@@H]3CCC[C@@H]23)[NH+](C)C)cc1 ZINC001685608903 1416768988 /nfs/dbraw/zinc/76/89/88/1416768988.db2.gz JWEZNBUUHYRJLF-AITUJVMLSA-N 1 0 344.503 2.843 10 10 EFCERO CCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC001686827022 1416810869 /nfs/dbraw/zinc/81/08/69/1416810869.db2.gz UZNWTNQRRZVPJZ-WMZOPIPTSA-N 1 0 346.519 2.776 10 10 EFCERO COc1ccc(C[NH2+][C@H](CNC(=O)C(=O)C(C)(C)C)C2CC2)cc1C ZINC001690144924 1417164315 /nfs/dbraw/zinc/16/43/15/1417164315.db2.gz IQLKSUIXMOHFMH-MRXNPFEDSA-N 1 0 346.471 2.603 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)COc2ccsc2)cc1C ZINC001690637943 1417222975 /nfs/dbraw/zinc/22/29/75/1417222975.db2.gz AABYAVKVTISKIK-CQSZACIVSA-N 1 0 348.468 2.738 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)CCOC(C)C)C2)cc1C ZINC001690695638 1417226023 /nfs/dbraw/zinc/22/60/23/1417226023.db2.gz LOOJFFZCPYEVKA-SFHVURJKSA-N 1 0 348.487 2.757 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](NC(=O)c2cc(F)c[nH]2)C2CC2)cc1C ZINC001699584499 1417432949 /nfs/dbraw/zinc/43/29/49/1417432949.db2.gz VFMILMXIQLPCSJ-KRWDZBQOSA-N 1 0 345.418 2.769 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2[C@@H]3CCC[C@@H]32)cc1C ZINC001700748047 1417640427 /nfs/dbraw/zinc/64/04/27/1417640427.db2.gz QMJKDQOABQGNQR-ITQYTPKQSA-N 1 0 330.472 2.986 10 10 EFCERO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CCOC(C)C)[C@@H]2C)cc1C ZINC001700814950 1417652407 /nfs/dbraw/zinc/65/24/07/1417652407.db2.gz WDMCSTBWLNMJHI-AEFFLSMTSA-N 1 0 348.487 2.898 10 10 EFCERO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CCOC(C)C)[C@H]2C)cc1C ZINC001700814951 1417652430 /nfs/dbraw/zinc/65/24/30/1417652430.db2.gz WDMCSTBWLNMJHI-FUHWJXTLSA-N 1 0 348.487 2.898 10 10 EFCERO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)CCCC(C)=O)C2)cc1C ZINC001700833647 1417661940 /nfs/dbraw/zinc/66/19/40/1417661940.db2.gz VFZYCKFPCNPTFI-CRAIPNDOSA-N 1 0 346.471 2.842 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)CCOC(C)C)C2)cc1C ZINC001700833338 1417662147 /nfs/dbraw/zinc/66/21/47/1417662147.db2.gz URFIFISBDWVCAM-AEFFLSMTSA-N 1 0 348.487 2.898 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H](C)CSC)C2)cc1C ZINC001713188583 1418366932 /nfs/dbraw/zinc/36/69/32/1418366932.db2.gz LBRJMXVDBIIPLH-BMFZPTHFSA-N 1 0 336.501 2.740 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2cccc(C)n2)cc1C ZINC001713295308 1418459240 /nfs/dbraw/zinc/45/92/40/1418459240.db2.gz FFBOBXOXPHLJFP-OAHLLOKOSA-N 1 0 327.428 2.615 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)CC[C@@H]2CCCO2)cc1C ZINC001713295659 1418459333 /nfs/dbraw/zinc/45/93/33/1418459333.db2.gz HQOYASCTTFYUJD-WBVHZDCISA-N 1 0 334.460 2.557 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2cc(C)cc(C)n2)cc1C ZINC001713321730 1418471985 /nfs/dbraw/zinc/47/19/85/1418471985.db2.gz SZEICJARTAQSOT-MRXNPFEDSA-N 1 0 341.455 2.924 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)CC2CCOCC2)cc1C ZINC001713404965 1418511275 /nfs/dbraw/zinc/51/12/75/1418511275.db2.gz IZRNEKVNAPORIU-MRXNPFEDSA-N 1 0 348.487 2.805 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)c2cccc(C)n2)cc1C ZINC001713572669 1418557803 /nfs/dbraw/zinc/55/78/03/1418557803.db2.gz OARXFEJXDLKHFT-UHFFFAOYSA-N 1 0 327.428 2.569 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)c2cccc(C)n2)cc1C ZINC001714550007 1418608186 /nfs/dbraw/zinc/60/81/86/1418608186.db2.gz SPILELOAJFDAOV-INIZCTEOSA-N 1 0 341.455 2.957 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)Cc2ccccc2F)cc1C ZINC001714783327 1418636746 /nfs/dbraw/zinc/63/67/46/1418636746.db2.gz BIYSQXNMPVZDMW-UHFFFAOYSA-N 1 0 344.430 2.933 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2oncc2C)cc1C ZINC001715361927 1418668847 /nfs/dbraw/zinc/66/88/47/1418668847.db2.gz FXDXNMLXIJDEOH-CQSZACIVSA-N 1 0 331.416 2.550 10 10 EFCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)C1(C)CCOCC1 ZINC001716244821 1418736690 /nfs/dbraw/zinc/73/66/90/1418736690.db2.gz IGXKHPXLAIOGRI-UHFFFAOYSA-N 1 0 348.487 2.758 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](NC(=O)c2coc(C)n2)C2CC2)cc1C ZINC001716608517 1418922715 /nfs/dbraw/zinc/92/27/15/1418922715.db2.gz CIFBKXXPPBVBJN-INIZCTEOSA-N 1 0 343.427 2.598 10 10 EFCERO COC[C@@H](C)C(=O)N1CC[C@H](CC[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001717074339 1419188515 /nfs/dbraw/zinc/18/85/15/1419188515.db2.gz MZOCCGBIDDLKRJ-SJORKVTESA-N 1 0 348.487 2.614 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)c3ccncc3)CCC2)cc1C ZINC001717146087 1419237068 /nfs/dbraw/zinc/23/70/68/1419237068.db2.gz OKOMPSLWZKZTSL-UHFFFAOYSA-N 1 0 339.439 2.841 10 10 EFCERO COCCCC(=O)N1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C(C)(C)C1 ZINC001717892040 1419605573 /nfs/dbraw/zinc/60/55/73/1419605573.db2.gz WHYPNDDSSGCPLX-SFHVURJKSA-N 1 0 348.487 2.757 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)[C@H]2CCOC2)C(C)(C)C)cc1C ZINC001717956771 1419628478 /nfs/dbraw/zinc/62/84/78/1419628478.db2.gz YGQKQZMGXOAUIJ-FUHWJXTLSA-N 1 0 348.487 2.661 10 10 EFCERO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@H](C)[C@@H]2CCCO2)cc1C ZINC001723115356 1424428040 /nfs/dbraw/zinc/42/80/40/1424428040.db2.gz AGDLBNQZZZPJSA-APWZRJJASA-N 1 0 348.487 2.757 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)N[C@H](C[NH2+]C/C=C/Cl)C2CC2)cc1 ZINC001723355237 1424473881 /nfs/dbraw/zinc/47/38/81/1424473881.db2.gz JEAFQGZUDJAEOF-VSFWDNHRSA-N 1 0 349.822 2.700 10 10 EFCERO CCCCC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001723485397 1424510030 /nfs/dbraw/zinc/51/00/30/1424510030.db2.gz WZNCAHWIVTWZLC-OAHLLOKOSA-N 1 0 331.420 2.843 10 10 EFCERO C[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C[NH2+]CCCF ZINC001724610565 1424830134 /nfs/dbraw/zinc/83/01/34/1424830134.db2.gz VFFYTXCXUGWOJV-GXTWGEPZSA-N 1 0 349.410 2.506 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@H](C)SC)CCC2)cc1C ZINC001724781877 1425009092 /nfs/dbraw/zinc/00/90/92/1425009092.db2.gz HZIFYCNEIRIHRG-AWEZNQCLSA-N 1 0 336.501 2.884 10 10 EFCERO COCC1(C(=O)N(C)C2CC([NH2+]Cc3ccc(OC)c(C)c3)C2)CC1 ZINC001725780039 1425845447 /nfs/dbraw/zinc/84/54/47/1425845447.db2.gz JOYMFQDRJNBIEB-UHFFFAOYSA-N 1 0 346.471 2.509 10 10 EFCERO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000055539455 714283884 /nfs/dbraw/zinc/28/38/84/714283884.db2.gz WZUZZLJUGXKXLZ-CQSZACIVSA-N 1 0 340.427 2.712 10 10 EFCERO CCC1([NH+]2CCC2)CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000924382294 715070262 /nfs/dbraw/zinc/07/02/62/715070262.db2.gz PXZUCBBGIUGKNU-FNORWQNLSA-N 1 0 330.428 2.588 10 10 EFCERO CN1CCCc2cc([C@@H]3NC(=[NH2+])Nc4nc5ccccc5n43)ccc21 ZINC000052118388 716010029 /nfs/dbraw/zinc/01/00/29/716010029.db2.gz UMYXFGGTNWEAEW-QGZVFWFLSA-N 1 0 332.411 2.684 10 10 EFCERO COC(=O)c1c(C[NH2+]C[C@@H]2CC[C@H](C)O2)c2cc(F)ccc2n1C ZINC000894969616 723038797 /nfs/dbraw/zinc/03/87/97/723038797.db2.gz JDSJGQHLGDJUDW-AAEUAGOBSA-N 1 0 334.391 2.761 10 10 EFCERO CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000102382285 717178006 /nfs/dbraw/zinc/17/80/06/717178006.db2.gz LAAKPSOGEOMTND-LJQANCHMSA-N 1 0 345.487 2.655 10 10 EFCERO CN(C)c1ccc(CN2CC[NH+](C[C@H](O)c3ccccc3)CC2)cc1 ZINC000179502911 717482328 /nfs/dbraw/zinc/48/23/28/717482328.db2.gz CIWRUVKRCYTBTC-NRFANRHFSA-N 1 0 339.483 2.604 10 10 EFCERO CCOC(=O)C1(COC)CC[NH+](Cc2ccc(N(C)C)cc2C)CC1 ZINC000840940886 718071258 /nfs/dbraw/zinc/07/12/58/718071258.db2.gz JDFZMOHHTWOFIR-UHFFFAOYSA-N 1 0 348.487 2.853 10 10 EFCERO CN(C)c1ccc(CN(C)C(=O)C[NH+]2C[C@@H]3CCCC[C@H]3C2)cc1 ZINC000177531801 718085178 /nfs/dbraw/zinc/08/51/78/718085178.db2.gz OAPAXUTYOAKNQB-ROUUACIJSA-N 1 0 329.488 2.833 10 10 EFCERO CN(C)c1ccc(CN(C)C(=O)C[NH+]2C[C@H]3CCCC[C@@H]3C2)cc1 ZINC000177531786 718085280 /nfs/dbraw/zinc/08/52/80/718085280.db2.gz OAPAXUTYOAKNQB-QZTJIDSGSA-N 1 0 329.488 2.833 10 10 EFCERO C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000925811970 718777585 /nfs/dbraw/zinc/77/75/85/718777585.db2.gz LNNCKROIGONNTO-JTQLQIEISA-N 1 0 332.275 2.773 10 10 EFCERO COC(=O)[C@H]1CSCC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000840976321 719997317 /nfs/dbraw/zinc/99/73/17/719997317.db2.gz DGONKEZEGFROEA-DWTRPJMMSA-N 1 0 334.485 2.604 10 10 EFCERO CC[N@@H+](Cc1c2cc(F)ccc2n(C)c1C(=O)OC)C[C@@H]1CCOC1 ZINC000893952948 720181962 /nfs/dbraw/zinc/18/19/62/720181962.db2.gz XJICVIWDGADXAH-ZDUSSCGKSA-N 1 0 348.418 2.962 10 10 EFCERO COC(=O)c1c(C[NH2+]C[C@@H](O)c2ccco2)c2cc(F)ccc2n1C ZINC000894166929 721046766 /nfs/dbraw/zinc/04/67/66/721046766.db2.gz WLXIJGURFGBJIN-OAHLLOKOSA-N 1 0 346.358 2.520 10 10 EFCERO COC(=O)c1c(CNC[C@H]2CCC[N@H+](C)C2)c2cc(F)ccc2n1C ZINC000894253658 721756346 /nfs/dbraw/zinc/75/63/46/721756346.db2.gz GBIKXGKXDMHIRS-CYBMUJFWSA-N 1 0 347.434 2.535 10 10 EFCERO COC(=O)c1c(C[NH2+]C[C@@](C)(O)C(C)C)c2cc(F)ccc2n1C ZINC000894267150 721799975 /nfs/dbraw/zinc/79/99/75/721799975.db2.gz VCCBACKMPUKUFF-GOSISDBHSA-N 1 0 336.407 2.601 10 10 EFCERO C/C=C/C[C@@H](CO)[NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894479748 722752119 /nfs/dbraw/zinc/75/21/19/722752119.db2.gz KDWDJHCGOPCBMH-IHVVCDCBSA-N 1 0 334.391 2.521 10 10 EFCERO C/C=C\C[C@H](CO)[NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894479747 722752150 /nfs/dbraw/zinc/75/21/50/722752150.db2.gz KDWDJHCGOPCBMH-DSYXLKISSA-N 1 0 334.391 2.521 10 10 EFCERO COC(=O)c1c(C[NH2+]CC2=CCOCC2)c2cc(F)ccc2n1C ZINC000894872577 722930405 /nfs/dbraw/zinc/93/04/05/722930405.db2.gz ASIWHHHZMCDSFJ-UHFFFAOYSA-N 1 0 332.375 2.540 10 10 EFCERO COC[C@@]1(C)CC[N@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)OC)C1 ZINC000894875149 722932661 /nfs/dbraw/zinc/93/26/61/722932661.db2.gz WFLCIGRVRWXMCS-IBGZPJMESA-N 1 0 348.418 2.962 10 10 EFCERO COC(=O)c1c(C[N@@H+]2CC[C@H](CCCO)C2)c2cc(F)ccc2n1C ZINC000894961426 723035681 /nfs/dbraw/zinc/03/56/81/723035681.db2.gz ZYXYVVGRYUHBPD-ZDUSSCGKSA-N 1 0 348.418 2.698 10 10 EFCERO COc1ccc(N2CC[C@@H](C[NH2+]Cc3c(C)ccnc3N)C2)cc1 ZINC000895052318 723087502 /nfs/dbraw/zinc/08/75/02/723087502.db2.gz XPPCHUXLWHYPET-HNNXBMFYSA-N 1 0 326.444 2.597 10 10 EFCERO O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000896520023 723337154 /nfs/dbraw/zinc/33/71/54/723337154.db2.gz DEUYXQMRVRRMSL-GFCCVEGCSA-N 1 0 346.452 2.870 10 10 EFCERO C[C@H]1C[C@@H](N(C)C(=O)c2cc3cc(O)c(O)cc3s2)CC[N@@H+]1C ZINC000896624223 723406115 /nfs/dbraw/zinc/40/61/15/723406115.db2.gz UFSAIAMEKXWARB-JQWIXIFHSA-N 1 0 334.441 2.867 10 10 EFCERO COc1cc(C)cc(C[NH2+][C@H]2CCCc3c2ccc(=O)n3C)c1O ZINC000895152200 723473033 /nfs/dbraw/zinc/47/30/33/723473033.db2.gz YSMKTJHPMBRAPG-HNNXBMFYSA-N 1 0 328.412 2.575 10 10 EFCERO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000896850716 723545964 /nfs/dbraw/zinc/54/59/64/723545964.db2.gz TXOWOHPSFZFNDC-NEPJUHHUSA-N 1 0 334.441 2.915 10 10 EFCERO COCC1(C[NH2+]Cc2c3cc(F)ccc3n(C)c2C(=O)OC)CC1 ZINC000895189410 723849115 /nfs/dbraw/zinc/84/91/15/723849115.db2.gz UYVOLTFJCJDTSE-UHFFFAOYSA-N 1 0 334.391 2.620 10 10 EFCERO COc1cc(C)cc(C[NH2+]Cc2cnc(C(F)(F)F)nc2)c1O ZINC000895229463 723891231 /nfs/dbraw/zinc/89/12/31/723891231.db2.gz VUQFFVNXAWSSLA-UHFFFAOYSA-N 1 0 327.306 2.808 10 10 EFCERO Cc1cc(O)c(C[NH2+]CCN2C[C@@H]3CCCCN3C2=O)c(Cl)c1 ZINC000895345903 724054169 /nfs/dbraw/zinc/05/41/69/724054169.db2.gz PURMNJIQYLPLOP-ZDUSSCGKSA-N 1 0 337.851 2.734 10 10 EFCERO Fc1cc(C[NH2+]Cc2ccc3[nH]cnc3c2)ccc1N1CCOCC1 ZINC000727466762 724055607 /nfs/dbraw/zinc/05/56/07/724055607.db2.gz FNGKJTWYSBEWDT-UHFFFAOYSA-N 1 0 340.402 2.828 10 10 EFCERO Fc1cc(CNC2CC[NH+](C3CCC3)CC2)ccc1N1CCOCC1 ZINC000727468171 724060950 /nfs/dbraw/zinc/06/09/50/724060950.db2.gz GFJQSPPJBUPNMA-UHFFFAOYSA-N 1 0 347.478 2.769 10 10 EFCERO COc1cc(C)cc(C[NH2+]Cc2cnc(Br)cn2)c1O ZINC000895407151 724119348 /nfs/dbraw/zinc/11/93/48/724119348.db2.gz LSTDJGLRTKEJBV-UHFFFAOYSA-N 1 0 338.205 2.552 10 10 EFCERO COC(=O)c1c(C[NH2+][C@H]2CO[C@H](C3CC3)C2)c2cc(F)ccc2n1C ZINC000895404378 724126329 /nfs/dbraw/zinc/12/63/29/724126329.db2.gz FJEPMSSVHQNADC-DYVFJYSZSA-N 1 0 346.402 2.761 10 10 EFCERO COC(=O)c1c(C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)c2cc(F)ccc2n1C ZINC000895440127 724134725 /nfs/dbraw/zinc/13/47/25/724134725.db2.gz OOXIOBCVLOZTPL-JRPNMDOOSA-N 1 0 334.391 2.760 10 10 EFCERO COc1cc(C)cc(C[NH2+]CCc2cn(C)c3ncccc23)c1O ZINC000895460982 724144242 /nfs/dbraw/zinc/14/42/42/724144242.db2.gz IWKUGXXGIWZJMM-UHFFFAOYSA-N 1 0 325.412 2.928 10 10 EFCERO O=C(NC1CC[NH+](C2CC2)CC1)c1cc2cc(O)c(O)cc2s1 ZINC000895559513 724195572 /nfs/dbraw/zinc/19/55/72/724195572.db2.gz MWJLDNZIOJLSPN-UHFFFAOYSA-N 1 0 332.425 2.669 10 10 EFCERO CO[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000895576528 724202054 /nfs/dbraw/zinc/20/20/54/724202054.db2.gz PTBQBMQGLKNLNA-INIZCTEOSA-N 1 0 344.377 2.676 10 10 EFCERO OC[C@H](C[NH2+]Cc1ccc(Br)cc1O)Cc1ccoc1 ZINC000895584588 724206932 /nfs/dbraw/zinc/20/69/32/724206932.db2.gz FIAHOJPMTFRYJC-LBPRGKRZSA-N 1 0 340.217 2.689 10 10 EFCERO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc2cc(O)c(O)cc2s1 ZINC000895698011 724269592 /nfs/dbraw/zinc/26/95/92/724269592.db2.gz VRAQATZRQLKKPZ-JTQLQIEISA-N 1 0 332.425 2.527 10 10 EFCERO C[C@@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)[C@H]1CC1(F)F ZINC000895813405 724328415 /nfs/dbraw/zinc/32/84/15/724328415.db2.gz KABDOENENFAMSU-MLGOLLRUSA-N 1 0 337.414 2.522 10 10 EFCERO C[C@]1(C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)CCCS1 ZINC000895813126 724328659 /nfs/dbraw/zinc/32/86/59/724328659.db2.gz DEFFLDFSLPOCHH-LJQANCHMSA-N 1 0 347.528 2.764 10 10 EFCERO OC1CCN(c2ccc(C[N@@H+]3CC[C@H]([C@@H]4CCCO4)C3)cc2)CC1 ZINC000895847000 724347865 /nfs/dbraw/zinc/34/78/65/724347865.db2.gz XVLRSBCBMOEHCE-PXNSSMCTSA-N 1 0 330.472 2.649 10 10 EFCERO C[NH+]1CCN(c2ccc(C[NH2+]CC3(C4(O)CCC4)CCC3)cc2)CC1 ZINC000895868426 724363305 /nfs/dbraw/zinc/36/33/05/724363305.db2.gz OMCOHUYEMMOAIT-UHFFFAOYSA-N 1 0 343.515 2.613 10 10 EFCERO Cc1cc(C(=O)CN2C[C@H]3C[NH2+]C[C@@H]3C2)c(C)n1-c1cccc(C)c1 ZINC000728913400 724884136 /nfs/dbraw/zinc/88/41/36/724884136.db2.gz ADFYJCHCSKKZME-QZTJIDSGSA-N 1 0 337.467 2.736 10 10 EFCERO Cc1cc(C(=O)CN2C[C@@H]3C[NH2+]C[C@H]3C2)c(C)n1-c1cccc(C)c1 ZINC000728913401 724884325 /nfs/dbraw/zinc/88/43/25/724884325.db2.gz ADFYJCHCSKKZME-ROUUACIJSA-N 1 0 337.467 2.736 10 10 EFCERO Cc1cc(C(=O)NC23CC[NH+](CC2)C3)c(C)n1-c1ccc(F)cc1 ZINC000913624887 725782168 /nfs/dbraw/zinc/78/21/68/725782168.db2.gz PYSHNAYRKLGABR-UHFFFAOYSA-N 1 0 327.403 2.811 10 10 EFCERO COC(=O)c1cc2ccccc2c(C[N@H+](C)C[C@@H]2CCCO2)c1O ZINC000151724882 725815504 /nfs/dbraw/zinc/81/55/04/725815504.db2.gz CJBPEXINPYQIMI-AWEZNQCLSA-N 1 0 329.396 2.943 10 10 EFCERO FC(F)(F)c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CCCOC1 ZINC000163405529 726202364 /nfs/dbraw/zinc/20/23/64/726202364.db2.gz XOFDOBYUUQJGDD-CQSZACIVSA-N 1 0 344.377 2.811 10 10 EFCERO Cc1cc(C(=O)N(C)[C@H]2C[NH+]3CCC2CC3)c(C)n1-c1ccccn1 ZINC000732161457 727000063 /nfs/dbraw/zinc/00/00/63/727000063.db2.gz WZZPDMKDBQMJON-SFHVURJKSA-N 1 0 338.455 2.655 10 10 EFCERO Cc1cc(C(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)c(C)n1-c1ccccn1 ZINC000732161455 727000223 /nfs/dbraw/zinc/00/02/23/727000223.db2.gz WZZPDMKDBQMJON-GOSISDBHSA-N 1 0 338.455 2.655 10 10 EFCERO CC(C)(C(=O)NCc1ccc2cccnc2c1O)[NH+]1CCCCC1 ZINC000911263252 727521281 /nfs/dbraw/zinc/52/12/81/727521281.db2.gz WBXPTBHEPJJLMC-UHFFFAOYSA-N 1 0 327.428 2.821 10 10 EFCERO CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000912293434 727689191 /nfs/dbraw/zinc/68/91/91/727689191.db2.gz WUTAJYVYFJVTLO-IRXDYDNUSA-N 1 0 345.487 2.512 10 10 EFCERO C[C@]1(NC(=O)c2cc3cc(O)c(O)cc3s2)C[NH+]2CCC1CC2 ZINC000912375491 727703318 /nfs/dbraw/zinc/70/33/18/727703318.db2.gz XFOCTFHWFTUIAL-KRWDZBQOSA-N 1 0 332.425 2.527 10 10 EFCERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(Br)ccc1O ZINC000156076786 727729782 /nfs/dbraw/zinc/72/97/82/727729782.db2.gz DPEZIRQMYKFVEG-BXUZGUMPSA-N 1 0 325.250 2.823 10 10 EFCERO O=C(c1cc2cc(O)c(O)cc2s1)N1CCC([NH+]2CCC2)CC1 ZINC000912870735 727753189 /nfs/dbraw/zinc/75/31/89/727753189.db2.gz HDMCDSQLSREOTM-UHFFFAOYSA-N 1 0 332.425 2.623 10 10 EFCERO C[NH+]1C[C@]2(C)CN(C(=O)c3cc4cc(O)c(O)cc4s3)C[C@@]2(C)C1 ZINC000913274641 727812096 /nfs/dbraw/zinc/81/20/96/727812096.db2.gz OHJWFBGEUKNSHN-QZTJIDSGSA-N 1 0 346.452 2.726 10 10 EFCERO COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@]3(CCOC3)C2)c1O ZINC000151313023 727828379 /nfs/dbraw/zinc/82/83/79/727828379.db2.gz KMRUVFOCNCLBJV-FQEVSTJZSA-N 1 0 341.407 2.944 10 10 EFCERO C[NH+](C)CC[C@@H](NC(=O)NCc1c(O)cccc1F)C(C)(C)C ZINC000919151232 728980397 /nfs/dbraw/zinc/98/03/97/728980397.db2.gz PTBSKCKMHBGHMJ-OAHLLOKOSA-N 1 0 325.428 2.697 10 10 EFCERO O=C(NCCCCC[NH+]1CCCCC1)NCc1c(O)cccc1F ZINC000919652121 729063006 /nfs/dbraw/zinc/06/30/06/729063006.db2.gz UKYRNJATMYWTCT-UHFFFAOYSA-N 1 0 337.439 2.987 10 10 EFCERO Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c(O)c1O ZINC000181785134 729200939 /nfs/dbraw/zinc/20/09/39/729200939.db2.gz CGBWCMOYLIORGJ-UHFFFAOYSA-N 1 0 340.423 2.932 10 10 EFCERO C[C@](CO)([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000237635691 729593523 /nfs/dbraw/zinc/59/35/23/729593523.db2.gz KSWLSDGOAZPOEF-HXUWFJFHSA-N 1 0 326.440 2.521 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CC[N@@H+]2CCCCCF)cc1 ZINC001569386447 1085168604 /nfs/dbraw/zinc/16/86/04/1085168604.db2.gz NXCHYLLBSYFKTA-OAHLLOKOSA-N 1 0 349.410 2.793 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)c3ccnc(F)c3)CC2)cc1C ZINC001569392864 1085173948 /nfs/dbraw/zinc/17/39/48/1085173948.db2.gz DPDFTKIQDHSOHH-UHFFFAOYSA-N 1 0 343.402 2.590 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)c3ccc(F)cn3)CC2)cc1C ZINC001569396759 1085178801 /nfs/dbraw/zinc/17/88/01/1085178801.db2.gz PSBXGXCZXFUOSR-UHFFFAOYSA-N 1 0 343.402 2.590 10 10 EFCERO CCCC[NH2+]C[C@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001569567024 1085383174 /nfs/dbraw/zinc/38/31/74/1085383174.db2.gz RHQYXYBNUNHRNH-OAHLLOKOSA-N 1 0 331.420 2.843 10 10 EFCERO CC[NH2+]C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1CCCC1 ZINC001569613670 1085438822 /nfs/dbraw/zinc/43/88/22/1085438822.db2.gz IAIMMJYDZPBODI-HNNXBMFYSA-N 1 0 331.420 2.747 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)CC3CC3)CCOCC2)cc1C ZINC001569726804 1085565237 /nfs/dbraw/zinc/56/52/37/1085565237.db2.gz OVTURQQCDWSNIR-UHFFFAOYSA-N 1 0 346.471 2.559 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)c3cccnc3)CCC2)cc1C ZINC001570096325 1085944989 /nfs/dbraw/zinc/94/49/89/1085944989.db2.gz TUBWPGPQMVHIPB-UHFFFAOYSA-N 1 0 339.439 2.841 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2ccnc(F)c2)cc1C ZINC001570594188 1086393794 /nfs/dbraw/zinc/39/37/94/1086393794.db2.gz YKMDILXLOHVBEA-ZIAGYGMSSA-N 1 0 345.418 2.834 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2cnccc2C)cc1C ZINC001571381255 1086772655 /nfs/dbraw/zinc/77/26/55/1086772655.db2.gz FJJVHUKCJYTYKI-INIZCTEOSA-N 1 0 341.455 2.957 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2C[C@@H]2C(F)F)cc1C ZINC001571385648 1086776363 /nfs/dbraw/zinc/77/63/63/1086776363.db2.gz LKDBYIHQZBYARK-SNPRPXQTSA-N 1 0 340.414 2.841 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)N[C@H]2CC[C@H](C[NH2+]CCCF)C2)cc1 ZINC001571549311 1086953619 /nfs/dbraw/zinc/95/36/19/1086953619.db2.gz ABSYMYDLGGOZDB-WFASDCNBSA-N 1 0 349.410 2.697 10 10 EFCERO CC(C)(C)[C@@H](C[NH2+]CC1CC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001571639749 1087011238 /nfs/dbraw/zinc/01/12/38/1087011238.db2.gz VWZNTSRTSRQWDM-OAHLLOKOSA-N 1 0 345.447 2.993 10 10 EFCERO C[C@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001648054516 1089935774 /nfs/dbraw/zinc/93/57/74/1089935774.db2.gz XXHZRTSEVSAWSU-RYUDHWBXSA-N 1 0 329.356 2.978 10 10 EFCERO CCN(C)c1ccc(C[NH+]2CCN(CCc3ccncc3)CC2)cc1 ZINC001648046580 1089936420 /nfs/dbraw/zinc/93/64/20/1089936420.db2.gz DBXOIGQXXDOJDZ-UHFFFAOYSA-N 1 0 338.499 2.898 10 10 EFCERO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@H](C)c2ccccc2O)cc1 ZINC001620504611 1090451633 /nfs/dbraw/zinc/45/16/33/1090451633.db2.gz WOMKOWDEFFXLPD-GFCCVEGCSA-N 1 0 327.384 2.640 10 10 EFCERO CC[C@@H](C(=O)N(C)CCN(C)c1ccc(OC)cc1)[NH+](CC)CC ZINC001583621093 1092050559 /nfs/dbraw/zinc/05/05/59/1092050559.db2.gz BIUCGKYRCDSKFL-SFHVURJKSA-N 1 0 335.492 2.710 10 10 EFCERO CN1CCCc2cc(CNC(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)ccc21 ZINC001583627677 1092052170 /nfs/dbraw/zinc/05/21/70/1092052170.db2.gz COAMNAFMLWWXKQ-ROUUACIJSA-N 1 0 329.488 2.806 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)C(C)(C)C(F)F)cc1C ZINC001266969822 1092215128 /nfs/dbraw/zinc/21/51/28/1092215128.db2.gz FYBVZCFNLPSFQO-GFCCVEGCSA-N 1 0 328.403 2.889 10 10 EFCERO CCC1(C(=O)NC[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)CCOCC1 ZINC001266982089 1092245383 /nfs/dbraw/zinc/24/53/83/1092245383.db2.gz XFOIBOXBVHJIOM-INIZCTEOSA-N 1 0 348.487 2.805 10 10 EFCERO COC(=O)/C=C\c1ccc(N(CC[NH+](C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000588479380 1092314886 /nfs/dbraw/zinc/31/48/86/1092314886.db2.gz PVMZDAVXJDLDQN-CLFYSBASSA-N 1 0 335.404 2.557 10 10 EFCERO CCO[C@@H](CC)C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001267033296 1092412471 /nfs/dbraw/zinc/41/24/71/1092412471.db2.gz SMMVISZWNAUBLY-ROUUACIJSA-N 1 0 348.487 2.757 10 10 EFCERO CC(C)CCO[C@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001586054412 1092669002 /nfs/dbraw/zinc/66/90/02/1092669002.db2.gz ICBYVASOLXWOIW-APWZRJJASA-N 1 0 349.519 2.923 10 10 EFCERO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC001586373000 1092728417 /nfs/dbraw/zinc/72/84/17/1092728417.db2.gz JCKNUFLFCUZTFQ-KRWDZBQOSA-N 1 0 339.439 2.731 10 10 EFCERO CCC[N@@H+]1CCC[C@H](C(=O)N2CCOc3cc(N(C)C)ccc32)C1 ZINC001586831817 1092762339 /nfs/dbraw/zinc/76/23/39/1092762339.db2.gz DNHAHEZAIWWWOX-HNNXBMFYSA-N 1 0 331.460 2.600 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2cncc(F)c2)cc1C ZINC001267125030 1092833046 /nfs/dbraw/zinc/83/30/46/1092833046.db2.gz CZKRCYFWCGBIGG-AWEZNQCLSA-N 1 0 345.418 2.836 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2ocnc2C)cc1C ZINC001267128278 1092850448 /nfs/dbraw/zinc/85/04/48/1092850448.db2.gz QSKBESJJZSFAQS-ZDUSSCGKSA-N 1 0 331.416 2.598 10 10 EFCERO CN(CC[NH2+]CCC(C)(C)C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001267136583 1092874807 /nfs/dbraw/zinc/87/48/07/1092874807.db2.gz DNXSPABJWLHNBC-UHFFFAOYSA-N 1 0 333.436 2.947 10 10 EFCERO [NH3+]CC1CC[NH+](Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000708087453 1092972481 /nfs/dbraw/zinc/97/24/81/1092972481.db2.gz BZCMVNIHTISSDR-UHFFFAOYSA-N 1 0 333.657 2.979 10 10 EFCERO CC/C=C/CC[N@H+](C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001267233299 1093302393 /nfs/dbraw/zinc/30/23/93/1093302393.db2.gz LRBJBBPGNBRYCU-WZPULVRGSA-N 1 0 331.420 2.867 10 10 EFCERO O=C(NCc1cc(O)ccc1O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001593872903 1094412255 /nfs/dbraw/zinc/41/22/55/1094412255.db2.gz FZZBINYPGZRSQJ-SFHVURJKSA-N 1 0 340.423 2.769 10 10 EFCERO Cc1cc(Br)cc(C[N@@H+]2CC[C@H]3COC[C@H]3C2)c1O ZINC000690797457 1094462459 /nfs/dbraw/zinc/46/24/59/1094462459.db2.gz AKWDPLQITPZEGZ-WCQYABFASA-N 1 0 326.234 2.931 10 10 EFCERO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001597800140 1094624766 /nfs/dbraw/zinc/62/47/66/1094624766.db2.gz ICRRLUUCQUJURO-LPHOPBHVSA-N 1 0 331.504 2.981 10 10 EFCERO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001597800143 1094625152 /nfs/dbraw/zinc/62/51/52/1094625152.db2.gz ICRRLUUCQUJURO-QFBILLFUSA-N 1 0 331.504 2.981 10 10 EFCERO COc1ccc2c(c1)c1c(n2CC(=O)NC[C@H](C)[NH+](C)C)CCCC1 ZINC001598332606 1094671305 /nfs/dbraw/zinc/67/13/05/1094671305.db2.gz VNTRTCGIHZFSIE-AWEZNQCLSA-N 1 0 343.471 2.595 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)Cc2ccco2)cc1C ZINC001268089795 1095266545 /nfs/dbraw/zinc/26/65/45/1095266545.db2.gz NBZBZMYXDAVCJW-OAHLLOKOSA-N 1 0 330.428 2.776 10 10 EFCERO CC[C@H](CNC(=O)Cc1cscn1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001481855268 1096806995 /nfs/dbraw/zinc/80/69/95/1096806995.db2.gz KGSCQJJTNJGYRS-OAHLLOKOSA-N 1 0 347.484 2.687 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)NC2(C[NH2+]CC3CC3)CCCC2)cc1 ZINC001481913485 1096918139 /nfs/dbraw/zinc/91/81/39/1096918139.db2.gz XOCCOPVHAYCLTK-UHFFFAOYSA-N 1 0 343.431 2.891 10 10 EFCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)c2cccc(C)n2)cc1C ZINC001268508356 1097078968 /nfs/dbraw/zinc/07/89/68/1097078968.db2.gz AEVXACYVFLXIES-PLNGDYQASA-N 1 0 339.439 2.783 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2ccccc2O)cc1C ZINC001268638350 1097492897 /nfs/dbraw/zinc/49/28/97/1097492897.db2.gz NQURSEIHYRQSIX-CQSZACIVSA-N 1 0 328.412 2.617 10 10 EFCERO COc1ccc(C(=O)N[C@@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)cc1 ZINC001268712797 1097564548 /nfs/dbraw/zinc/56/45/48/1097564548.db2.gz GFRJSDRCKVVQDX-HNNXBMFYSA-N 1 0 342.439 2.920 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](NC(=O)c2cccnc2)C2CC2)cc1C ZINC001269039035 1097802395 /nfs/dbraw/zinc/80/23/95/1097802395.db2.gz NUKRBMBRIRZJTB-SFHVURJKSA-N 1 0 339.439 2.697 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)c3scnc3C)CC2)cc1C ZINC001269380038 1098098390 /nfs/dbraw/zinc/09/83/90/1098098390.db2.gz UQYCFRNZSFIAHP-UHFFFAOYSA-N 1 0 345.468 2.821 10 10 EFCERO CC[C@@H](F)C[NH2+][C@H](CC)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001269514747 1098202402 /nfs/dbraw/zinc/20/24/02/1098202402.db2.gz BBPMLCXQLVLPJR-CHWSQXEVSA-N 1 0 337.399 2.695 10 10 EFCERO COc1ccc(C[NH2+]C[C@@](C)(NC(=O)CC(C)(C)O)C2CC2)cc1C ZINC001269610207 1098288306 /nfs/dbraw/zinc/28/83/06/1098288306.db2.gz XTNOYRZUDQCXHG-HXUWFJFHSA-N 1 0 348.487 2.539 10 10 EFCERO CCOCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@@H]1C ZINC001269907816 1098514247 /nfs/dbraw/zinc/51/42/47/1098514247.db2.gz TYHVMBJQOXLNJX-DOTOQJQBSA-N 1 0 334.460 2.509 10 10 EFCERO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)CCOC(C)C)cc1C ZINC001270006291 1098588819 /nfs/dbraw/zinc/58/88/19/1098588819.db2.gz HGNYNKJLXNNFSR-GOSISDBHSA-N 1 0 348.487 2.899 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)C2(C(F)F)CC2)cc1C ZINC001481230375 1098616008 /nfs/dbraw/zinc/61/60/08/1098616008.db2.gz PCBWKABYFRQLEN-UHFFFAOYSA-N 1 0 326.387 2.597 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2ccc(C)nc2)cc1C ZINC001267977009 1099052888 /nfs/dbraw/zinc/05/28/88/1099052888.db2.gz DGULRCIIYBXBCU-CQSZACIVSA-N 1 0 341.455 2.863 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@H](C)n2cccc2)cc1C ZINC001267981758 1099069866 /nfs/dbraw/zinc/06/98/66/1099069866.db2.gz QLDKSVQSRCQLJD-WBVHZDCISA-N 1 0 343.471 2.908 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2nccs2)cc1C ZINC001268009527 1099164640 /nfs/dbraw/zinc/16/46/40/1099164640.db2.gz UYUWHOOTLJKMLE-LBPRGKRZSA-N 1 0 333.457 2.616 10 10 EFCERO CCc1ccnc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC001616858348 1099197936 /nfs/dbraw/zinc/19/79/36/1099197936.db2.gz KZFRWBSPJFTRLN-IBGZPJMESA-N 1 0 340.471 2.743 10 10 EFCERO CC[C@H](CNC(=O)[C@H]1C[C@@H]1C(F)F)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267800049 1099298554 /nfs/dbraw/zinc/29/85/54/1099298554.db2.gz QSXFJEHDBZPACO-ILXRZTDVSA-N 1 0 340.414 2.889 10 10 EFCERO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001618593425 1099306144 /nfs/dbraw/zinc/30/61/44/1099306144.db2.gz KFZULJHGXBKPRU-CABCVRRESA-N 1 0 331.460 2.598 10 10 EFCERO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2C[C@H]2OC(C)(C)C)[NH+](C)C)cc1 ZINC001618642263 1099309593 /nfs/dbraw/zinc/30/95/93/1099309593.db2.gz FRBYBOKCZMRIFA-FGTMMUONSA-N 1 0 347.503 2.675 10 10 EFCERO CCOC(=O)CC(C)(C)CC(=O)C(=O)C1C[NH+](C2CCCCC2)C1 ZINC001623574683 1099603294 /nfs/dbraw/zinc/60/32/94/1099603294.db2.gz WZZUYGHTMTVQPB-UHFFFAOYSA-N 1 0 337.460 2.759 10 10 EFCERO C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[NH+]1CCC(C)CC1 ZINC001625931908 1099697412 /nfs/dbraw/zinc/69/74/12/1099697412.db2.gz ABVSZBHYVZXXPP-CYBMUJFWSA-N 1 0 331.420 2.699 10 10 EFCERO COc1ccc(C[NH+]2CCN(Cc3ccccc3OC)CC2)c(O)c1 ZINC000093048545 1099897452 /nfs/dbraw/zinc/89/74/52/1099897452.db2.gz VYSJMNBBROIFPS-UHFFFAOYSA-N 1 0 342.439 2.727 10 10 EFCERO C[C@@H]1C[C@H]2CC[C@H](C(=O)NCc3ccc4c(c3)CCCN4C)C[N@@H+]2C1 ZINC001626941077 1099939093 /nfs/dbraw/zinc/93/90/93/1099939093.db2.gz SSGLOUOLZQCQAE-AYOQOUSVSA-N 1 0 341.499 2.806 10 10 EFCERO C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCc3ccc4c(c3)CCCN4C)C[N@@H+]2C1 ZINC001626941076 1099939114 /nfs/dbraw/zinc/93/91/14/1099939114.db2.gz SSGLOUOLZQCQAE-ATZDWAIDSA-N 1 0 341.499 2.806 10 10 EFCERO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001627626384 1100016812 /nfs/dbraw/zinc/01/68/12/1100016812.db2.gz CAHGMWGBSJIWGR-HNNXBMFYSA-N 1 0 331.420 2.843 10 10 EFCERO COc1ccc(N(C)CCN(C)C(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)cc1 ZINC001628468864 1100105397 /nfs/dbraw/zinc/10/53/97/1100105397.db2.gz NAPGOISVLVQGBT-ULQDDVLXSA-N 1 0 347.503 2.851 10 10 EFCERO CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC000729522261 1100122556 /nfs/dbraw/zinc/12/25/56/1100122556.db2.gz HACGJLGNIHXBIQ-QGZVFWFLSA-N 1 0 341.455 2.826 10 10 EFCERO CC(C)[N@@H+]1CCC[C@H](C(=O)NCc2ccc3cccnc3c2O)C1 ZINC001630532367 1100315460 /nfs/dbraw/zinc/31/54/60/1100315460.db2.gz JCZNCNGYQOONRK-INIZCTEOSA-N 1 0 327.428 2.677 10 10 EFCERO COCC(C)(C)C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001271035737 1100406630 /nfs/dbraw/zinc/40/66/30/1100406630.db2.gz NTPDAAWKYDYEOO-OAHLLOKOSA-N 1 0 336.476 2.613 10 10 EFCERO O=C(NCc1cc(O)ccc1O)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC001633599346 1100553996 /nfs/dbraw/zinc/55/39/96/1100553996.db2.gz YATCQRMVAHXINN-SFHVURJKSA-N 1 0 340.423 2.594 10 10 EFCERO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001633767072 1100564526 /nfs/dbraw/zinc/56/45/26/1100564526.db2.gz QKPMVUUWCGSWQS-NVXWUHKLSA-N 1 0 346.471 2.753 10 10 EFCERO COCCC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001482464384 1100681326 /nfs/dbraw/zinc/68/13/26/1100681326.db2.gz RYNQJVMREGAPFH-FUHWJXTLSA-N 1 0 348.487 2.757 10 10 EFCERO CN(C)c1ccc([C@@H](CNC(=O)c2ccc(F)c(O)c2)[NH+](C)C)cc1 ZINC001637004778 1100750000 /nfs/dbraw/zinc/75/00/00/1100750000.db2.gz OXROBPJKSSQBOY-QGZVFWFLSA-N 1 0 345.418 2.630 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)NCCC[NH2+]C2CCCCC2)cc1 ZINC001638376891 1100853684 /nfs/dbraw/zinc/85/36/84/1100853684.db2.gz DWZSZFYHCYZKFY-UHFFFAOYSA-N 1 0 331.420 2.891 10 10 EFCERO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1(C)C ZINC001639795992 1100984501 /nfs/dbraw/zinc/98/45/01/1100984501.db2.gz IIERWPHFVIYJBV-CABCVRRESA-N 1 0 334.441 2.771 10 10 EFCERO Cc1cc(CC(=O)N2CC([NH+]3CCCC3)C2)c(C)n1-c1ccccc1 ZINC001641159340 1101108527 /nfs/dbraw/zinc/10/85/27/1101108527.db2.gz REHODHINHJAPCR-UHFFFAOYSA-N 1 0 337.467 2.943 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](CC(C)C)NC(=O)C(F)F)cc1C ZINC001271239820 1101313445 /nfs/dbraw/zinc/31/34/45/1101313445.db2.gz YRPXAXZYAOZBOS-AWEZNQCLSA-N 1 0 328.403 2.889 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C3(C(F)F)CC3)C2)cc1C ZINC001266593389 1101318536 /nfs/dbraw/zinc/31/85/36/1101318536.db2.gz HGZCCQXMWDECKP-HDJSIYSDSA-N 1 0 338.398 2.786 10 10 EFCERO Oc1cc2c(cc1C[NH+]1CCN(Cc3cscn3)CC1)CCC2 ZINC000748070751 1101350131 /nfs/dbraw/zinc/35/01/31/1101350131.db2.gz XESCLVOTLWMEND-UHFFFAOYSA-N 1 0 329.469 2.655 10 10 EFCERO c1ccc2c(c1)C[C@@H](C[NH2+]Cc1ccc(N3CCOCC3)cc1)CO2 ZINC000066236308 1101384502 /nfs/dbraw/zinc/38/45/02/1101384502.db2.gz ZYIVHZFTSREVLS-SFHVURJKSA-N 1 0 338.451 2.864 10 10 EFCERO CC(C)n1ccnc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001653421331 1101621447 /nfs/dbraw/zinc/62/14/47/1101621447.db2.gz LLUADSSEOQJZKY-QGZVFWFLSA-N 1 0 343.475 2.563 10 10 EFCERO COc1ccc(N(C)CC[N@H+](C)C[C@](C)(O)c2ccccc2)cc1 ZINC001654113769 1101683280 /nfs/dbraw/zinc/68/32/80/1101683280.db2.gz ANXLWAYWHUZEAQ-FQEVSTJZSA-N 1 0 328.456 2.971 10 10 EFCERO COC[C@]1(C(=O)OC(C)(C)C)CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC001655292385 1101805768 /nfs/dbraw/zinc/80/57/68/1101805768.db2.gz JDTVGZGPWVUOGC-FQEVSTJZSA-N 1 0 348.487 2.933 10 10 EFCERO C[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001655347441 1101813001 /nfs/dbraw/zinc/81/30/01/1101813001.db2.gz XXHZRTSEVSAWSU-VXGBXAGGSA-N 1 0 329.356 2.978 10 10 EFCERO COc1ccc(C[NH2+][C@H](CNC(=O)c2cc(C)no2)C(C)C)cc1C ZINC001482515283 1102506803 /nfs/dbraw/zinc/50/68/03/1102506803.db2.gz QFXAJDUBLKIOHN-MRXNPFEDSA-N 1 0 345.443 2.844 10 10 EFCERO CN(C)c1ccc(CNC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cc1 ZINC000076204497 1102661936 /nfs/dbraw/zinc/66/19/36/1102661936.db2.gz OQPGRABJLBAFMX-SFHVURJKSA-N 1 0 344.503 2.816 10 10 EFCERO COc1ccc(C[NH2+][C@H](CNC(=O)[C@H]2CCCCO2)C2CC2)cc1C ZINC001661122874 1103140532 /nfs/dbraw/zinc/14/05/32/1103140532.db2.gz YDRRCMVPDVEHCM-IEBWSBKVSA-N 1 0 346.471 2.557 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)Cc2cccc(F)c2)cc1C ZINC001483290971 1103271153 /nfs/dbraw/zinc/27/11/53/1103271153.db2.gz RIPAMRFBOXTDLD-HNNXBMFYSA-N 1 0 344.430 2.980 10 10 EFCERO C[C@]1([C@H]2CCC[N@H+](Cc3cc4c(cc3O)CCC4)C2)COC(=O)N1 ZINC000905708246 1103519755 /nfs/dbraw/zinc/51/97/55/1103519755.db2.gz ORFHUOPPFSVPMX-QFBILLFUSA-N 1 0 330.428 2.591 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)NC2CCC([NH2+]CCCF)CC2)cc1 ZINC001662141550 1103599655 /nfs/dbraw/zinc/59/96/55/1103599655.db2.gz ADIGAKDFYGZFBM-UHFFFAOYSA-N 1 0 349.410 2.839 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2cc(C3CC3)on2)cc1C ZINC001662293770 1103651577 /nfs/dbraw/zinc/65/15/77/1103651577.db2.gz UZFVALAZAIVYBT-ZDUSSCGKSA-N 1 0 343.427 2.777 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)Cc2cccnc2C)cc1C ZINC001662335447 1103666054 /nfs/dbraw/zinc/66/60/54/1103666054.db2.gz YEWBNIQOAFZAQD-HNNXBMFYSA-N 1 0 341.455 2.544 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H](OC)C2CCCC2)cc1C ZINC001662400485 1103684747 /nfs/dbraw/zinc/68/47/47/1103684747.db2.gz SCCXROVRLPMLAG-DNVCBOLYSA-N 1 0 348.487 2.803 10 10 EFCERO C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]Cc1ccsc1 ZINC001662429314 1103696422 /nfs/dbraw/zinc/69/64/22/1103696422.db2.gz HNHUQSMLFCETKD-LLVKDONJSA-N 1 0 345.428 2.819 10 10 EFCERO CN(C)c1ccc(C[N@H+](C[C@@H](O)CCC2(O)CCC2)C2CC2)cc1 ZINC000905913787 1103727254 /nfs/dbraw/zinc/72/72/54/1103727254.db2.gz BTTCJLYMIVLDGG-IBGZPJMESA-N 1 0 332.488 2.773 10 10 EFCERO COc1ccc(C[NH2+]CCCN(C)C(=O)c2oc(C)nc2C)cc1C ZINC001483458203 1103753340 /nfs/dbraw/zinc/75/33/40/1103753340.db2.gz YWHXZEVHPCUXEM-UHFFFAOYSA-N 1 0 345.443 2.860 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)c2cc3c([nH]2)CCC3)cc1C ZINC001664303963 1104345475 /nfs/dbraw/zinc/34/54/75/1104345475.db2.gz COLTWPDRACNPHY-UHFFFAOYSA-N 1 0 341.455 2.682 10 10 EFCERO O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000841710339 1104665242 /nfs/dbraw/zinc/66/52/42/1104665242.db2.gz WCONFHWNUZANBC-FQEVSTJZSA-N 1 0 342.487 2.572 10 10 EFCERO CC[C@H](CNC(=O)c1cn(CC)cn1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001665873146 1104797478 /nfs/dbraw/zinc/79/74/78/1104797478.db2.gz ZXRZIPRQWGFMQV-MRXNPFEDSA-N 1 0 344.459 2.518 10 10 EFCERO COc1ccc(C[NH2+]CCC2CCN(C(=O)[C@H](C)OC)CC2)cc1C ZINC001666190945 1104898146 /nfs/dbraw/zinc/89/81/46/1104898146.db2.gz KQGOAALSKHSPTB-INIZCTEOSA-N 1 0 348.487 2.757 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2oc(C)nc2C)cc1C ZINC001666877757 1105012548 /nfs/dbraw/zinc/01/25/48/1105012548.db2.gz ZSLZSIWMQFGZIG-CYBMUJFWSA-N 1 0 345.443 2.859 10 10 EFCERO CCc1ncoc1C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001666987580 1105032574 /nfs/dbraw/zinc/03/25/74/1105032574.db2.gz LHASRDJBUYNKRH-CQSZACIVSA-N 1 0 345.443 2.804 10 10 EFCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)c2cc(C)no2)cc1C ZINC001482811400 1105035781 /nfs/dbraw/zinc/03/57/81/1105035781.db2.gz MSJGFWPOIXBUJW-CYBMUJFWSA-N 1 0 331.416 2.598 10 10 EFCERO CCOCC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001667312448 1105114901 /nfs/dbraw/zinc/11/49/01/1105114901.db2.gz KUEIVXXLUUYPRB-WMZOPIPTSA-N 1 0 348.487 2.757 10 10 EFCERO CCOCC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001667312446 1105115002 /nfs/dbraw/zinc/11/50/02/1105115002.db2.gz KUEIVXXLUUYPRB-FUHWJXTLSA-N 1 0 348.487 2.757 10 10 EFCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@]2(C)CCCOC2)cc1C ZINC001482884072 1105132049 /nfs/dbraw/zinc/13/20/49/1105132049.db2.gz UNUVBVXSZVPSOI-OXJNMPFZSA-N 1 0 348.487 2.805 10 10 EFCERO C[C@H](F)CC[NH2+]CC[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001482903518 1105162996 /nfs/dbraw/zinc/16/29/96/1105162996.db2.gz PWOHVIMRPZRLSM-RYUDHWBXSA-N 1 0 337.399 2.695 10 10 EFCERO C[C@@H](F)CC[NH2+]CC[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001482903519 1105163152 /nfs/dbraw/zinc/16/31/52/1105163152.db2.gz PWOHVIMRPZRLSM-VXGBXAGGSA-N 1 0 337.399 2.695 10 10 EFCERO CCOC(=O)C[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CCCC1 ZINC000093687017 1105196643 /nfs/dbraw/zinc/19/66/43/1105196643.db2.gz COQSOVSMMZQAHL-UHFFFAOYSA-N 1 0 346.471 2.831 10 10 EFCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@@H]1CCC1(F)F ZINC001482932766 1105198594 /nfs/dbraw/zinc/19/85/94/1105198594.db2.gz OBGKQGIUYVJQAJ-HNNXBMFYSA-N 1 0 340.414 2.987 10 10 EFCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CC2(F)F)cc1C ZINC001668050613 1105227099 /nfs/dbraw/zinc/22/70/99/1105227099.db2.gz XJPQNFZHSWJCRN-JSGCOSHPSA-N 1 0 326.387 2.643 10 10 EFCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@H]1CCOC[C@H]1C ZINC001482947259 1105234660 /nfs/dbraw/zinc/23/46/60/1105234660.db2.gz JUIPCKHJXCCKEE-AEFFLSMTSA-N 1 0 348.487 2.614 10 10 EFCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@H]1CCOC[C@@H]1C ZINC001482947285 1105234895 /nfs/dbraw/zinc/23/48/95/1105234895.db2.gz JUIPCKHJXCCKEE-WMZOPIPTSA-N 1 0 348.487 2.614 10 10 EFCERO C[C@H](CC[NH2+]C/C=C/Cl)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001668325220 1105282056 /nfs/dbraw/zinc/28/20/56/1105282056.db2.gz HRSMSFUEKXMACU-ROAPSJMJSA-N 1 0 337.811 2.700 10 10 EFCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)c1ccnc(F)c1 ZINC001668377503 1105290334 /nfs/dbraw/zinc/29/03/34/1105290334.db2.gz WEYOXLAMCNZLAI-UHFFFAOYSA-N 1 0 345.418 2.790 10 10 EFCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)[C@H](C)n2cccc2)cc1C ZINC001668780161 1105370818 /nfs/dbraw/zinc/37/08/18/1105370818.db2.gz OTRGTAYVKSGYCZ-CHYADLBTSA-N 1 0 341.455 2.828 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2ccncc2C)cc1C ZINC001669284918 1105468825 /nfs/dbraw/zinc/46/88/25/1105468825.db2.gz YNAXJCOUHAKGRO-OAHLLOKOSA-N 1 0 327.428 2.615 10 10 EFCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)c2ccc(F)nc2)cc1C ZINC001482992777 1105495476 /nfs/dbraw/zinc/49/54/76/1105495476.db2.gz YUFRPBNSHQMPLF-ONEGZZNKSA-N 1 0 343.402 2.614 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H](C)c2cccnc2)cc1C ZINC001669716412 1105511099 /nfs/dbraw/zinc/51/10/99/1105511099.db2.gz XJCAZEYGODWZAQ-JKSUJKDBSA-N 1 0 341.455 2.797 10 10 EFCERO CC/C=C/CC[NH2+]C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001669753388 1105516007 /nfs/dbraw/zinc/51/60/07/1105516007.db2.gz MWSGIFSEERIQPO-FTPQYCNRSA-N 1 0 331.420 2.913 10 10 EFCERO COc1ccc(C[NH2+]CCCN(C)C(=O)Cc2cscn2)cc1C ZINC001670272070 1105608851 /nfs/dbraw/zinc/60/88/51/1105608851.db2.gz YZVORIMIFSTPPX-UHFFFAOYSA-N 1 0 347.484 2.641 10 10 EFCERO CCc1nc[nH]c1C(=O)N(C)CCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001670328001 1105619189 /nfs/dbraw/zinc/61/91/89/1105619189.db2.gz LYESXQLWZJNMAA-UHFFFAOYSA-N 1 0 344.459 2.541 10 10 EFCERO CC(C)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001672246818 1105784956 /nfs/dbraw/zinc/78/49/56/1105784956.db2.gz OBMXGGCGBWMRJV-UKRRQHHQSA-N 1 0 345.447 2.945 10 10 EFCERO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000841984138 1106091522 /nfs/dbraw/zinc/09/15/22/1106091522.db2.gz CFLCKRVTOUVJAX-CRAIPNDOSA-N 1 0 332.492 2.671 10 10 EFCERO C[C@@H]([NH3+])[C@@H](C)NC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000842008123 1106159983 /nfs/dbraw/zinc/15/99/83/1106159983.db2.gz VUGXNKCUXGMZDG-HUUCEWRRSA-N 1 0 344.459 2.793 10 10 EFCERO CCc1cc(C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)[nH]n1 ZINC001674633415 1106225380 /nfs/dbraw/zinc/22/53/80/1106225380.db2.gz LCWAENQABIGWCK-KGLIPLIRSA-N 1 0 344.459 2.586 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)Cc2ccc[nH]2)cc1C ZINC001674775144 1106255243 /nfs/dbraw/zinc/25/52/43/1106255243.db2.gz UQPVXGWTRXCJOV-GJZGRUSLSA-N 1 0 329.444 2.557 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C[C@@H]2CCCO2)cc1C ZINC001676310724 1106513596 /nfs/dbraw/zinc/51/35/96/1106513596.db2.gz IAJVJDYBLVWZFX-WBVHZDCISA-N 1 0 334.460 2.509 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@H](C)CSC)cc1C ZINC001676318309 1106514183 /nfs/dbraw/zinc/51/41/83/1106514183.db2.gz KRRAJCSHNWUNCE-HUUCEWRRSA-N 1 0 338.517 2.939 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C)CSC)cc1C ZINC001676318308 1106514471 /nfs/dbraw/zinc/51/44/71/1106514471.db2.gz KRRAJCSHNWUNCE-GJZGRUSLSA-N 1 0 338.517 2.939 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)CCC(F)F)cc1C ZINC001676387158 1106523102 /nfs/dbraw/zinc/52/31/02/1106523102.db2.gz OQAFLEDUWNPINF-CYBMUJFWSA-N 1 0 328.403 2.985 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)CC2(OC)CCC2)cc1C ZINC001483222701 1107239191 /nfs/dbraw/zinc/23/91/91/1107239191.db2.gz GGMKCUIUJRHBFA-HNNXBMFYSA-N 1 0 334.460 2.557 10 10 EFCERO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc(F)cc3N)c2)CC1 ZINC000904622214 1108048365 /nfs/dbraw/zinc/04/83/65/1108048365.db2.gz JHZQDIWKADKJMH-UHFFFAOYSA-N 1 0 342.418 2.802 10 10 EFCERO CCC(C)(C)CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001681325257 1108215906 /nfs/dbraw/zinc/21/59/06/1108215906.db2.gz VPAHPELJYRYPOU-UHFFFAOYSA-N 1 0 332.492 2.674 10 10 EFCERO C[N@@H+]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C(C)(C)C ZINC000898385067 1108909881 /nfs/dbraw/zinc/90/98/81/1108909881.db2.gz XILUQEFHOVSADK-AWEZNQCLSA-N 1 0 331.420 2.651 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCC2(F)F)cc1C ZINC001483140766 1109623355 /nfs/dbraw/zinc/62/33/55/1109623355.db2.gz JIBSZLLOTUBSDL-OCCSQVGLSA-N 1 0 326.387 2.643 10 10 EFCERO C[C@H]1C[C@@H](N(C)C(=O)NCCCSc2nccs2)CC[N@@H+]1C ZINC000154674112 1112107742 /nfs/dbraw/zinc/10/77/42/1112107742.db2.gz GEKRNSMPNRVOKB-STQMWFEESA-N 1 0 342.534 2.749 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)c3ccn(C)c3C)CC2)cc1C ZINC001483766460 1112191492 /nfs/dbraw/zinc/19/14/92/1112191492.db2.gz JTPKACRVABVLRG-UHFFFAOYSA-N 1 0 341.455 2.703 10 10 EFCERO CCCOCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@@H]1C ZINC001483899093 1112541120 /nfs/dbraw/zinc/54/11/20/1112541120.db2.gz OITKZABZWUXPMC-FUHWJXTLSA-N 1 0 348.487 2.899 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2ccccn2)cc1C ZINC001485115411 1118050841 /nfs/dbraw/zinc/05/08/41/1118050841.db2.gz YWBZSTWBMJALAI-GJZGRUSLSA-N 1 0 327.428 2.695 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)Cc2cc(C)on2)cc1C ZINC001485131366 1118059378 /nfs/dbraw/zinc/05/93/78/1118059378.db2.gz CKOZQHMSVALXQD-CABCVRRESA-N 1 0 345.443 2.526 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)COC(C)(C)C)cc1C ZINC001485140975 1118093542 /nfs/dbraw/zinc/09/35/42/1118093542.db2.gz XXWKOZUIUXDNBZ-GJZGRUSLSA-N 1 0 336.476 2.802 10 10 EFCERO COc1ccc(C[NH2+]C2CCC(N(C)C(=O)[C@H](C)OC)CC2)cc1C ZINC001485236534 1118161993 /nfs/dbraw/zinc/16/19/93/1118161993.db2.gz DBUWOTWCZVEXKL-ZLPCBKJTSA-N 1 0 348.487 2.898 10 10 EFCERO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)[C@H]2CCCO2)cc1C ZINC001485710437 1118532098 /nfs/dbraw/zinc/53/20/98/1118532098.db2.gz JCKXULLJVNLCHQ-MAUKXSAKSA-N 1 0 334.460 2.557 10 10 EFCERO COc1ccc(NC(=O)CN2CCCc3cc(C[NH3+])ccc32)cc1 ZINC000324954415 1118710853 /nfs/dbraw/zinc/71/08/53/1118710853.db2.gz CIWISDIRFVOMQK-UHFFFAOYSA-N 1 0 325.412 2.545 10 10 EFCERO Cc1cccc(C[NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)c1O ZINC000184958024 1119642922 /nfs/dbraw/zinc/64/29/22/1119642922.db2.gz HGSAYWGZOKKZBO-UHFFFAOYSA-N 1 0 346.452 2.530 10 10 EFCERO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(-c3cnn(C)c3)no2)c1 ZINC000185053178 1119692211 /nfs/dbraw/zinc/69/22/11/1119692211.db2.gz ZKFTWKSWKPKDIR-LLVKDONJSA-N 1 0 328.372 2.640 10 10 EFCERO O[C@]1(c2ccccc2F)CN(c2ccccc2)C2=[N+]1CCCS2 ZINC000003226870 209982901 /nfs/dbraw/zinc/98/29/01/209982901.db2.gz LLBQGWTTYSKQIX-SFHVURJKSA-N 1 0 329.420 2.996 10 10 EFCERO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2Cn2ccnc2C)cc1OC ZINC000160361197 239048612 /nfs/dbraw/zinc/04/86/12/239048612.db2.gz CXYQPGLTZSYXLJ-OAHLLOKOSA-N 1 0 331.416 2.579 10 10 EFCERO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccc(N2CCOCC2)c(F)c1 ZINC000160637616 239053556 /nfs/dbraw/zinc/05/35/56/239053556.db2.gz IYIGMBYJEHRSRJ-QOKNQOGYSA-N 1 0 336.451 2.864 10 10 EFCERO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCN(c3ncccn3)C2)c1 ZINC000192813646 240065243 /nfs/dbraw/zinc/06/52/43/240065243.db2.gz WBOUHHPNBWUHLY-UONOGXRCSA-N 1 0 328.416 2.510 10 10 EFCERO C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1cc(F)ccc1O ZINC000185408433 299350389 /nfs/dbraw/zinc/35/03/89/299350389.db2.gz QXFSYBLWEMPGJJ-GUYCJALGSA-N 1 0 330.403 2.881 10 10 EFCERO Cc1cc(C(=O)NCC[C@@H]2CCC[NH2+]C2)c(C)n1-c1ccccn1 ZINC000237728584 240246743 /nfs/dbraw/zinc/24/67/43/240246743.db2.gz RGSDZVJSQZKVHJ-INIZCTEOSA-N 1 0 326.444 2.609 10 10 EFCERO C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12)c1ccc(N2CCC(O)CC2)cc1 ZINC000252010563 240305886 /nfs/dbraw/zinc/30/58/86/240305886.db2.gz XNURKWRZPHVSMA-GAZPGATBSA-N 1 0 330.472 2.866 10 10 EFCERO CCCOc1ccc(C[N@@H+]2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)c(O)c1 ZINC000245712359 240260528 /nfs/dbraw/zinc/26/05/28/240260528.db2.gz CLEUHROEVKLETG-VDZJLULYSA-N 1 0 335.444 2.949 10 10 EFCERO Cc1cncc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC000302162954 241193472 /nfs/dbraw/zinc/19/34/72/241193472.db2.gz QEXICXSAAKDHMQ-UHFFFAOYSA-N 1 0 337.471 2.929 10 10 EFCERO CN(C)c1ccc(C[NH+]2CCC(c3nnc4n3CCC4)CC2)cc1F ZINC000375830076 242482053 /nfs/dbraw/zinc/48/20/53/242482053.db2.gz LYMBSBHUHCQEIJ-UHFFFAOYSA-N 1 0 343.450 2.809 10 10 EFCERO CCCOCc1cc(C[NH+]2CCN(C)CC2)c(O)c2ncccc12 ZINC000020439858 212129045 /nfs/dbraw/zinc/12/90/45/212129045.db2.gz CYVVTEZTJPBVPY-UHFFFAOYSA-N 1 0 329.444 2.614 10 10 EFCERO CN1CCc2cc(C[NH2+]C[C@@H]3CCN(C)[C@H]3c3cccnc3)ccc21 ZINC000328633448 258026987 /nfs/dbraw/zinc/02/69/87/258026987.db2.gz MANIVOKFAVEVEN-FPOVZHCZSA-N 1 0 336.483 2.857 10 10 EFCERO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(C)n(-c3cccc(F)c3)c2C)C1 ZINC000299738801 258011125 /nfs/dbraw/zinc/01/11/25/258011125.db2.gz GRAWLHXSRUXGIU-HNNXBMFYSA-N 1 0 329.419 2.915 10 10 EFCERO COc1cccc(C[NH2+]C2CCN(C(=O)c3ccccc3)CC2)c1O ZINC000171128849 533510229 /nfs/dbraw/zinc/51/02/29/533510229.db2.gz QQWQWPDAGCSUHQ-UHFFFAOYSA-N 1 0 340.423 2.795 10 10 EFCERO Cc1cnn(C[C@@H]2C[N@H+](Cc3c(O)ccc4ccccc43)CCO2)c1 ZINC000112072152 473241560 /nfs/dbraw/zinc/24/15/60/473241560.db2.gz PJXBYJCQMBVLHH-KRWDZBQOSA-N 1 0 337.423 2.951 10 10 EFCERO CCOc1ccc(C[NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)cc1C ZINC000095985026 473243828 /nfs/dbraw/zinc/24/38/28/473243828.db2.gz FFKAWIJXYVVERN-DOTOQJQBSA-N 1 0 325.474 2.839 10 10 EFCERO CC(C)c1nnc2n1C[C@@H](C[NH2+]Cc1ccc3c(c1)CCO3)CC2 ZINC000069588878 472376850 /nfs/dbraw/zinc/37/68/50/472376850.db2.gz FGKCQBQDWFEEGS-OAHLLOKOSA-N 1 0 326.444 2.689 10 10 EFCERO CN(C(=O)/C=C/c1ccc2c(c1)CCCN2C)C1CC[NH+](C)CC1 ZINC000069739943 472414613 /nfs/dbraw/zinc/41/46/13/472414613.db2.gz DQYMIWXBGFSMOH-VQHVLOKHSA-N 1 0 327.472 2.635 10 10 EFCERO Cc1ccc(C)n1-c1ccsc1C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116796819 472437662 /nfs/dbraw/zinc/43/76/62/472437662.db2.gz KHJYSYVGCORTJS-OAHLLOKOSA-N 1 0 347.484 2.558 10 10 EFCERO CCc1nc2n(n1)C[C@@H]([NH2+]Cc1ccc(N3CCCCC3)cc1)CC2 ZINC000069922044 472466337 /nfs/dbraw/zinc/46/63/37/472466337.db2.gz KMRUCCDKAOSXQL-KRWDZBQOSA-N 1 0 339.487 2.935 10 10 EFCERO C[C@@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1ccc(N(C)C)cc1 ZINC000089732810 472494999 /nfs/dbraw/zinc/49/49/99/472494999.db2.gz FTQLNZSOBLYKCU-NVXWUHKLSA-N 1 0 325.460 2.862 10 10 EFCERO CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000089948977 472559574 /nfs/dbraw/zinc/55/95/74/472559574.db2.gz UJEHGOYVNYSYEJ-QAPCUYQASA-N 1 0 328.456 2.748 10 10 EFCERO CN(C)c1ccc(C[N@H+](C)[C@@H]2CCCN(c3cccnn3)C2)cc1 ZINC000120163050 472642097 /nfs/dbraw/zinc/64/20/97/472642097.db2.gz CDQSHZQEFQSKCR-GOSISDBHSA-N 1 0 325.460 2.643 10 10 EFCERO CN(C(=O)/C=C\c1ccc2c(c1)CCCN2C)C1CC[NH+](C)CC1 ZINC000103907741 472648958 /nfs/dbraw/zinc/64/89/58/472648958.db2.gz DQYMIWXBGFSMOH-CLFYSBASSA-N 1 0 327.472 2.635 10 10 EFCERO CC[C@@H]([NH2+]C[C@@H]1CCCN1c1cc(NC)ncn1)c1ccccc1O ZINC000156501731 472716379 /nfs/dbraw/zinc/71/63/79/472716379.db2.gz YISOLRWGJJBUHH-GOEBONIOSA-N 1 0 341.459 2.934 10 10 EFCERO CC(C)(C)OC[C@H](O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000121053155 472791053 /nfs/dbraw/zinc/79/10/53/472791053.db2.gz CZRLFRIHJLDDMN-SJORKVTESA-N 1 0 337.460 2.549 10 10 EFCERO CCCOc1ccc(C[NH+]2CCC(N3CCO[C@@H](C)C3)CC2)c(O)c1 ZINC000092079643 472856769 /nfs/dbraw/zinc/85/67/69/472856769.db2.gz VBEVJIQZFHHOLJ-INIZCTEOSA-N 1 0 348.487 2.866 10 10 EFCERO CCn1cc(CN2CCC[N@H+](Cc3cc(Cl)ccc3O)CC2)cn1 ZINC000121625314 472882780 /nfs/dbraw/zinc/88/27/80/472882780.db2.gz IVXYJEZHURIRAX-UHFFFAOYSA-N 1 0 348.878 2.970 10 10 EFCERO c1cnn(-c2ccc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)cc2)c1 ZINC000048713699 472902923 /nfs/dbraw/zinc/90/29/23/472902923.db2.gz PJWJTGJQOQVMLW-UHFFFAOYSA-N 1 0 348.450 2.999 10 10 EFCERO C[C@@H]([NH2+]Cc1cccnc1)c1ccc(N2CCN(C)CC2)c(F)c1 ZINC000065462486 472946754 /nfs/dbraw/zinc/94/67/54/472946754.db2.gz UVARSAUGSSCAGT-OAHLLOKOSA-N 1 0 328.435 2.823 10 10 EFCERO C[C@H]([NH2+]Cc1cccnc1)c1ccc(N2CCN(C)CC2)c(F)c1 ZINC000065462481 472947252 /nfs/dbraw/zinc/94/72/52/472947252.db2.gz UVARSAUGSSCAGT-HNNXBMFYSA-N 1 0 328.435 2.823 10 10 EFCERO CC[NH+]1CCN(c2ccc(CNC(=O)/C=C/C3CC3)cc2F)CC1 ZINC000080102919 472976985 /nfs/dbraw/zinc/97/69/85/472976985.db2.gz LSOWGQBKGOAVQG-SOFGYWHQSA-N 1 0 331.435 2.550 10 10 EFCERO COc1cccc(C[N@@H+]2CCCN(Cc3cscn3)CC2)c1O ZINC000093016247 473026360 /nfs/dbraw/zinc/02/63/60/473026360.db2.gz AYHMOFZVLIYDSG-UHFFFAOYSA-N 1 0 333.457 2.565 10 10 EFCERO CC1CCN(c2ccc(CNC(=O)N3CC[C@H]([NH+](C)C)C3)cc2)CC1 ZINC000108583990 473043466 /nfs/dbraw/zinc/04/34/66/473043466.db2.gz FLPBDKHCSOEZTK-IBGZPJMESA-N 1 0 344.503 2.768 10 10 EFCERO C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000093147350 473052756 /nfs/dbraw/zinc/05/27/56/473052756.db2.gz FXVIQQXWTYUURY-KRWDZBQOSA-N 1 0 337.895 2.648 10 10 EFCERO Cc1cnn([C@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)c1 ZINC000123021535 473087764 /nfs/dbraw/zinc/08/77/64/473087764.db2.gz WNOHRAIOEUMAIU-FQEVSTJZSA-N 1 0 340.471 2.865 10 10 EFCERO O[C@]12CCCC[C@@H]1C[N@H+](Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000093585489 473119603 /nfs/dbraw/zinc/11/96/03/473119603.db2.gz ACANCLOKOMPCGL-QUCCMNQESA-N 1 0 330.472 2.650 10 10 EFCERO COc1cccc(C[N@@H+]2CCC[C@@H]2CNC(=O)OC(C)(C)C)c1O ZINC000093757674 473141453 /nfs/dbraw/zinc/14/14/53/473141453.db2.gz FMZOQZDOLZEMMB-CQSZACIVSA-N 1 0 336.432 2.890 10 10 EFCERO COc1ccc(O)c([C@@H](C)[NH2+][C@H](Cc2ccccc2)C(=O)N(C)C)c1 ZINC000185407818 473418731 /nfs/dbraw/zinc/41/87/31/473418731.db2.gz RMHFDGCOMVSQDU-RDTXWAMCSA-N 1 0 342.439 2.751 10 10 EFCERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCN3C)C12CCOCC2 ZINC000185658061 473480613 /nfs/dbraw/zinc/48/06/13/473480613.db2.gz GGTSYCVLLOONDK-RTBURBONSA-N 1 0 330.472 2.743 10 10 EFCERO C[C@H]([NH2+][C@@H]1CCCn2ncnc21)c1ccc(Br)cc1O ZINC000185663348 473481827 /nfs/dbraw/zinc/48/18/27/473481827.db2.gz RQCNLWBZQJSMHB-JOYOIKCWSA-N 1 0 337.221 2.932 10 10 EFCERO CCOc1ccc(O)c(C[NH2+][C@@H]2C[C@H](OCC)C23CCOCC3)c1 ZINC000185665256 473483257 /nfs/dbraw/zinc/48/32/57/473483257.db2.gz OLQQAKKGZIPUTI-MSOLQXFVSA-N 1 0 335.444 2.855 10 10 EFCERO CCOc1ccc(O)c(CN2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000178858494 473580120 /nfs/dbraw/zinc/58/01/20/473580120.db2.gz BFCAPDHZZYTQLK-UHFFFAOYSA-N 1 0 340.423 2.749 10 10 EFCERO COc1ccc(O)c(C[NH+]2CCC(C(=O)Nc3cc(C)on3)CC2)c1 ZINC000179645467 473702416 /nfs/dbraw/zinc/70/24/16/473702416.db2.gz GKJXLUQVRLBLGG-UHFFFAOYSA-N 1 0 345.399 2.548 10 10 EFCERO CCCN(CCC)c1ccc(CN2CCO[C@@H](CNC(C)=O)C2)cc1 ZINC000179716349 473712199 /nfs/dbraw/zinc/71/21/99/473712199.db2.gz ADFTVVDGJCMWTM-FQEVSTJZSA-N 1 0 347.503 2.650 10 10 EFCERO COc1cc(O)c(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)cc1OC ZINC000179986898 473771614 /nfs/dbraw/zinc/77/16/14/473771614.db2.gz GHMQVRXJJDMVLO-AWEZNQCLSA-N 1 0 343.427 2.738 10 10 EFCERO Oc1cc2c(cc1C[NH2+][C@H]1CCOC3(CCSCC3)C1)OCO2 ZINC000269341295 473779048 /nfs/dbraw/zinc/77/90/48/473779048.db2.gz PBAMVCWEMNJXQL-ZDUSSCGKSA-N 1 0 337.441 2.655 10 10 EFCERO COc1ccc(O)c(C[N@@H+]2CCC[C@H](Cn3nc(C)nc3C)C2)c1 ZINC000180120780 473803484 /nfs/dbraw/zinc/80/34/84/473803484.db2.gz PPAJXVKKTLCPQT-HNNXBMFYSA-N 1 0 330.432 2.521 10 10 EFCERO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCC(=O)N(C)C2)c1O ZINC000187228501 473841960 /nfs/dbraw/zinc/84/19/60/473841960.db2.gz XFQAXBUCHCAXGC-PWSUYJOCSA-N 1 0 341.249 2.735 10 10 EFCERO Cc1cc(Cl)cc(C[NH+]2CCC(N3CCCNC3=O)CC2)c1O ZINC000180466812 473884190 /nfs/dbraw/zinc/88/41/90/473884190.db2.gz UPZJKSOOMDNADP-UHFFFAOYSA-N 1 0 337.851 2.734 10 10 EFCERO CN(C)c1ccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)cc1F ZINC000282616328 474132093 /nfs/dbraw/zinc/13/20/93/474132093.db2.gz FDWYMYOCEPBRMJ-YJBOKZPZSA-N 1 0 336.451 2.549 10 10 EFCERO CCOc1ccc(O)c(C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)c1 ZINC000265227157 474170485 /nfs/dbraw/zinc/17/04/85/474170485.db2.gz ICVVDEZTYARCSB-MRXNPFEDSA-N 1 0 340.423 2.965 10 10 EFCERO COC(=O)/C=C/c1ccc(N2CCC[C@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000276980764 474576291 /nfs/dbraw/zinc/57/62/91/474576291.db2.gz FPDLBXQVBOUWMK-HEWZJLJBSA-N 1 0 347.415 2.702 10 10 EFCERO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000184685403 474583916 /nfs/dbraw/zinc/58/39/16/474583916.db2.gz WDJLHJRJXSJRFP-CQSZACIVSA-N 1 0 340.851 2.935 10 10 EFCERO COC(=O)/C=C/c1ccc(N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000267607177 474674567 /nfs/dbraw/zinc/67/45/67/474674567.db2.gz JULQADFEBUNKTG-MTENODCZSA-N 1 0 347.415 2.557 10 10 EFCERO COc1c(O)c(C[N@@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000278533445 474686587 /nfs/dbraw/zinc/68/65/87/474686587.db2.gz VOFXJNSAEWGWKX-GXTWGEPZSA-N 1 0 338.404 2.538 10 10 EFCERO Cc1cc(Cl)cc(C[NH2+][C@@H](c2nccn2C)C(C)(C)CO)c1O ZINC000294923276 475091809 /nfs/dbraw/zinc/09/18/09/475091809.db2.gz BBBUVWZEKQOLMJ-HNNXBMFYSA-N 1 0 337.851 2.937 10 10 EFCERO C[N@H+](Cc1cc(-c2ccccc2)ccc1O)[C@H]1CCN2CCO[C@H]1C2 ZINC000295050965 475100093 /nfs/dbraw/zinc/10/00/93/475100093.db2.gz FUTOYYXADGFJQK-FPOVZHCZSA-N 1 0 338.451 2.964 10 10 EFCERO COc1cc(Cl)cc(C[NH+]2CCC(Oc3cnccn3)CC2)c1O ZINC000373263187 476388654 /nfs/dbraw/zinc/38/86/54/476388654.db2.gz FKEKZXTWYMMUAI-UHFFFAOYSA-N 1 0 349.818 2.888 10 10 EFCERO CCOc1ccc(O)c(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c1 ZINC000373973382 476444239 /nfs/dbraw/zinc/44/42/39/476444239.db2.gz BHWFGAWXMPGMDY-YZVOILCLSA-N 1 0 335.444 2.949 10 10 EFCERO CCOc1ccc(O)c(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c1 ZINC000373973383 476444484 /nfs/dbraw/zinc/44/44/84/476444484.db2.gz BHWFGAWXMPGMDY-ZRGWGRIASA-N 1 0 335.444 2.949 10 10 EFCERO CCOc1ccc(O)c(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c1 ZINC000373973380 476444981 /nfs/dbraw/zinc/44/49/81/476444981.db2.gz BHWFGAWXMPGMDY-DOXZYTNZSA-N 1 0 335.444 2.949 10 10 EFCERO CCOC(=O)C1(COC)CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000370125177 476674326 /nfs/dbraw/zinc/67/43/26/476674326.db2.gz YYXNJSPTXVNPOS-UHFFFAOYSA-N 1 0 335.444 2.801 10 10 EFCERO COCC[C@@H]1CCCC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000372104454 477642363 /nfs/dbraw/zinc/64/23/63/477642363.db2.gz YDAGFHNJPFFWBQ-SFHVURJKSA-N 1 0 347.503 2.507 10 10 EFCERO CC1(N2CCOCC2)CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000530104975 477877286 /nfs/dbraw/zinc/87/72/86/477877286.db2.gz MQQMHRRYVKGTSN-UHFFFAOYSA-N 1 0 330.472 2.568 10 10 EFCERO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CCC[N@H+](C)C3)ccc21 ZINC000590808755 478350508 /nfs/dbraw/zinc/35/05/08/478350508.db2.gz VAXLUKBQSLTEIX-QGZVFWFLSA-N 1 0 343.471 2.729 10 10 EFCERO COc1ccc(CN2CC[C@@H]2C[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000527770665 478512964 /nfs/dbraw/zinc/51/29/64/478512964.db2.gz CPIWYAUEYJRJSJ-LJQANCHMSA-N 1 0 338.451 2.994 10 10 EFCERO CC[C@H]([NH2+]C[C@@H](O)[C@@H]1CCCO1)c1cc(Br)ccc1O ZINC000527954403 478585675 /nfs/dbraw/zinc/58/56/75/478585675.db2.gz JRCMFUGXVNTWLT-CFVMTHIKSA-N 1 0 344.249 2.735 10 10 EFCERO COc1ccc(CNC(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)c(O)c1 ZINC000528145870 478656237 /nfs/dbraw/zinc/65/62/37/478656237.db2.gz FNVHRMOFWMEIIY-MRXNPFEDSA-N 1 0 347.459 2.607 10 10 EFCERO CN(Cc1ccccc1O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000528718255 478896317 /nfs/dbraw/zinc/89/63/17/478896317.db2.gz WJXNXINFBXGPBJ-UHFFFAOYSA-N 1 0 327.384 2.538 10 10 EFCERO COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CC[NH2+]C[C@@H]3C)ccc21 ZINC000565151930 478926003 /nfs/dbraw/zinc/92/60/03/478926003.db2.gz SFHQGFJPDQOKBB-UGSOOPFHSA-N 1 0 343.471 2.632 10 10 EFCERO COc1ccc(CN2CC[C@@H]2C[NH2+]Cc2cc(F)ccc2O)cc1 ZINC000529644865 479234554 /nfs/dbraw/zinc/23/45/54/479234554.db2.gz PWLNZKAHCHIPEN-QGZVFWFLSA-N 1 0 330.403 2.904 10 10 EFCERO COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3C[NH2+]CC[C@@H]3C)ccc21 ZINC000577526005 479594222 /nfs/dbraw/zinc/59/42/22/479594222.db2.gz RLEJPAFCUXQDPM-UGSOOPFHSA-N 1 0 343.471 2.632 10 10 EFCERO CC1(C)CN(C(=O)c2cn[nH]c2[C@@H]2CC[NH2+]C2)c2cc(F)ccc21 ZINC000662582884 481886363 /nfs/dbraw/zinc/88/63/63/481886363.db2.gz RVXPUUIINNMENR-LLVKDONJSA-N 1 0 328.391 2.564 10 10 EFCERO CC(=O)NC1CCC([NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000263663344 534840765 /nfs/dbraw/zinc/84/07/65/534840765.db2.gz HVVTZARPVVIBBB-UHFFFAOYSA-N 1 0 341.249 2.692 10 10 EFCERO CCN(C)c1ccc([C@H](C)[NH2+]Cc2cccnc2-n2cncn2)cc1 ZINC000178050003 527869206 /nfs/dbraw/zinc/86/92/06/527869206.db2.gz RKWTZMRVYLFXCI-HNNXBMFYSA-N 1 0 336.443 2.969 10 10 EFCERO CC[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc(N(C)C)cc1 ZINC000178052597 529186931 /nfs/dbraw/zinc/18/69/31/529186931.db2.gz MFIJBZUQDUIUNY-GOSISDBHSA-N 1 0 336.443 2.969 10 10 EFCERO CCOc1cccc(C[NH2+]C2CCN(c3ccccn3)CC2)c1O ZINC000236893105 535455984 /nfs/dbraw/zinc/45/59/84/535455984.db2.gz KYRYVXBHFYOENJ-UHFFFAOYSA-N 1 0 327.428 2.945 10 10 EFCERO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCc3nc(COC)nn3C2)cc1 ZINC000246332618 535765635 /nfs/dbraw/zinc/76/56/35/535765635.db2.gz GFJLNLKJWQUFBX-ZBFHGGJFSA-N 1 0 343.475 2.546 10 10 EFCERO CC[C@@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1ccc(N(C)C)cc1 ZINC000367413259 535808439 /nfs/dbraw/zinc/80/84/39/535808439.db2.gz QQKJATIQNAQSLH-RTBURBONSA-N 1 0 345.487 2.573 10 10 EFCERO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c1O ZINC000754726337 575478449 /nfs/dbraw/zinc/47/84/49/575478449.db2.gz PRYAYDNELCODLD-OAHLLOKOSA-N 1 0 332.444 2.544 10 10 EFCERO C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000756121961 575688567 /nfs/dbraw/zinc/68/85/67/575688567.db2.gz SCMDUUFSBUTNHG-KEYYUXOJSA-N 1 0 339.430 2.797 10 10 EFCERO C[C@H]1C[C@@H]([NH2+]CCC2CCS(=O)(=O)CC2)c2c1c(F)ccc2O ZINC000756778957 575786227 /nfs/dbraw/zinc/78/62/27/575786227.db2.gz HCDQSTXLHBRVFS-SMDDNHRTSA-N 1 0 341.448 2.884 10 10 EFCERO CC(C)(C)[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H]1O ZINC000757866884 575854876 /nfs/dbraw/zinc/85/48/76/575854876.db2.gz ONLUQWZITHOJTJ-OALUTQOASA-N 1 0 332.488 2.752 10 10 EFCERO CCN(CC)c1ccc(CNC(=O)c2c[nH+]ccc2N(C)C)cc1 ZINC000759530890 575895426 /nfs/dbraw/zinc/89/54/26/575895426.db2.gz OZMHWBXOHXCZOH-UHFFFAOYSA-N 1 0 326.444 2.924 10 10 EFCERO O=S1(=O)CCC(C[N@@H+](Cc2ccccc2O)C2CCCC2)CC1 ZINC000767397435 577207266 /nfs/dbraw/zinc/20/72/66/577207266.db2.gz IEJVQZOEQLZLOC-UHFFFAOYSA-N 1 0 337.485 2.962 10 10 EFCERO O=S1(=O)CCC(C[N@H+](Cc2ccco2)Cc2ccccc2O)CC1 ZINC000767427366 577208092 /nfs/dbraw/zinc/20/80/92/577208092.db2.gz ZCUABYNXSADWDA-UHFFFAOYSA-N 1 0 349.452 2.812 10 10 EFCERO CCOc1ccc(C[NH2+][C@H](C)c2nnc3n2CCCCC3)c(O)c1 ZINC000725845325 577246540 /nfs/dbraw/zinc/24/65/40/577246540.db2.gz WNNBNWOLCPPMJJ-CYBMUJFWSA-N 1 0 330.432 2.960 10 10 EFCERO COc1cccc(O)c1C[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000768193683 577260273 /nfs/dbraw/zinc/26/02/73/577260273.db2.gz ITVCPWANOXYPGP-UHFFFAOYSA-N 1 0 332.444 2.625 10 10 EFCERO O=[N+]([O-])c1cc(CN2CC[NH+](C3CC3)CC2)ccc1N1CCCCC1 ZINC000768246483 577262744 /nfs/dbraw/zinc/26/27/44/577262744.db2.gz XBCSFTGQNXHARZ-UHFFFAOYSA-N 1 0 344.459 2.865 10 10 EFCERO C[C@@]1(c2ccccc2)CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768464031 577276052 /nfs/dbraw/zinc/27/60/52/577276052.db2.gz MTBCDYWWTMNZLM-AZUAARDMSA-N 1 0 325.408 2.982 10 10 EFCERO COc1cccc(O)c1C[N@@H+]1CCCN(Cc2cscn2)CC1 ZINC000769314113 577351424 /nfs/dbraw/zinc/35/14/24/577351424.db2.gz DTPFARHWIBOILS-UHFFFAOYSA-N 1 0 333.457 2.565 10 10 EFCERO CC[C@@H](CO)[NH+]1CCN(Cc2ccc(N(CC)CC)c(F)c2)CC1 ZINC000769501938 577367803 /nfs/dbraw/zinc/36/78/03/577367803.db2.gz GFGXJKHZHYCOEZ-KRWDZBQOSA-N 1 0 337.483 2.560 10 10 EFCERO CCOc1ccc(C[N@@H+]2CCN(CC(F)F)[C@@H](CC)C2)c(O)c1 ZINC000769513731 577368966 /nfs/dbraw/zinc/36/89/66/577368966.db2.gz HTNAGVFICXWQDY-AWEZNQCLSA-N 1 0 328.403 2.952 10 10 EFCERO Fc1cc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)ccc1N1CCOCC1 ZINC000770286539 577410036 /nfs/dbraw/zinc/41/00/36/577410036.db2.gz QQOMALAWEQGNHM-SJLPKXTDSA-N 1 0 334.435 2.663 10 10 EFCERO C[C@@H](NC(=O)NCC[N@@H+]1CCCC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000773216709 581406266 /nfs/dbraw/zinc/40/62/66/581406266.db2.gz BJJQSKBABKHEBF-JKSUJKDBSA-N 1 0 332.492 2.987 10 10 EFCERO COc1ccc(-n2c(C)cc(C(=O)NC3CC([NH+](C)C)C3)c2C)cc1 ZINC000773486008 581436030 /nfs/dbraw/zinc/43/60/30/581436030.db2.gz HDPZXRFJINMFHA-UHFFFAOYSA-N 1 0 341.455 2.925 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)c2ncc(C)cc2C)cc1C ZINC001691403501 1248743337 /nfs/dbraw/zinc/74/33/37/1248743337.db2.gz LRGMJRFSCYYWJS-UHFFFAOYSA-N 1 0 341.455 2.877 10 10 EFCERO CC[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1ccc(C)cc1O ZINC000850518137 1250522469 /nfs/dbraw/zinc/52/24/69/1250522469.db2.gz LOSDVIKLUWJXNI-LBPRGKRZSA-N 1 0 339.379 2.718 10 10 EFCERO C[C@@H](F)CC[NH2+][C@H]1C[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001691481073 1249221552 /nfs/dbraw/zinc/22/15/52/1249221552.db2.gz FUDFSGPHBYUUCT-JMSVASOKSA-N 1 0 349.410 2.695 10 10 EFCERO c1nn2c(c1C[NH2+]Cc1ccc(N3CCSCC3)cc1)CCC2 ZINC000850034557 1250235373 /nfs/dbraw/zinc/23/53/73/1250235373.db2.gz OAHKVWRZVZTOSC-UHFFFAOYSA-N 1 0 328.485 2.672 10 10 EFCERO CC[C@@H](C)OCC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001690703908 1248115878 /nfs/dbraw/zinc/11/58/78/1248115878.db2.gz FKAPXXHCRFILTD-AEFFLSMTSA-N 1 0 348.487 2.757 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H](C)n2cccc2)cc1C ZINC001691292469 1248610943 /nfs/dbraw/zinc/61/09/43/1248610943.db2.gz AGRWVSAKJINHNZ-MRXNPFEDSA-N 1 0 329.444 2.614 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)CC2(OC)CCC2)cc1C ZINC001691302860 1248630634 /nfs/dbraw/zinc/63/06/34/1248630634.db2.gz BDKBWELTJPOANE-UHFFFAOYSA-N 1 0 334.460 2.511 10 10 EFCERO COc1cc(C[NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)c(O)c(C(C)(C)C)c1 ZINC000850338337 1250437733 /nfs/dbraw/zinc/43/77/33/1250437733.db2.gz AVPJINSLQSQKGD-OAHLLOKOSA-N 1 0 348.443 2.771 10 10 EFCERO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccnn3CC(C)C)C2)cc1 ZINC000850346592 1250440092 /nfs/dbraw/zinc/44/00/92/1250440092.db2.gz HSMQCTJHDRYPFN-MRXNPFEDSA-N 1 0 328.460 2.916 10 10 EFCERO COc1ccc(N2CC[C@H]([NH2+]Cc3ccc4c(c3)ncn4C)C2)cc1 ZINC000850346806 1250440245 /nfs/dbraw/zinc/44/02/45/1250440245.db2.gz KLVGSWDCVQLLLX-INIZCTEOSA-N 1 0 336.439 2.950 10 10 EFCERO COc1cc(C[NH2+]C[C@@H](OC)[C@@H]2CCOC2)c(O)c(C(C)(C)C)c1 ZINC000850341747 1250440372 /nfs/dbraw/zinc/44/03/72/1250440372.db2.gz DYQBCTBFDRNRCU-CXAGYDPISA-N 1 0 337.460 2.839 10 10 EFCERO CO[C@H](C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)[C@H]1CCOC1 ZINC000850342892 1250440768 /nfs/dbraw/zinc/44/07/68/1250440768.db2.gz OEKXWRQGFQVNLW-XJKSGUPXSA-N 1 0 346.393 2.913 10 10 EFCERO COc1ccc(N2CC[C@H]([NH2+]Cc3cc(C(F)(F)F)n[nH]3)C2)cc1 ZINC000850346604 1250440925 /nfs/dbraw/zinc/44/09/25/1250440925.db2.gz HTCITYXVVPMRPC-NSHDSACASA-N 1 0 340.349 2.806 10 10 EFCERO CCc1nn(C)c(CC)c1C[NH2+][C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850346471 1250441097 /nfs/dbraw/zinc/44/10/97/1250441097.db2.gz GJLQJILDNUMQFS-HNNXBMFYSA-N 1 0 342.487 2.922 10 10 EFCERO CN(C)c1ccc(C[NH2+]Cc2cnc(C(F)(F)F)nc2)cc1F ZINC000850345201 1250442383 /nfs/dbraw/zinc/44/23/83/1250442383.db2.gz OHALPCJBGHGKQW-UHFFFAOYSA-N 1 0 328.313 2.990 10 10 EFCERO COc1ccc(N2CC[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000850345706 1250442474 /nfs/dbraw/zinc/44/24/74/1250442474.db2.gz IJQCELYXEVULFQ-HNNXBMFYSA-N 1 0 327.384 2.972 10 10 EFCERO COc1ccc(N2CC[C@H]([NH2+]Cc3ccc(-n4cncn4)cc3)C2)cc1 ZINC000850345900 1250442716 /nfs/dbraw/zinc/44/27/16/1250442716.db2.gz NJAWDOSFNLUBAI-KRWDZBQOSA-N 1 0 349.438 2.644 10 10 EFCERO CCN(CC)c1ccc(C[NH2+][C@H]2CC[C@@H](C)S(=O)(=O)C2)cc1F ZINC000850367562 1250450457 /nfs/dbraw/zinc/45/04/57/1250450457.db2.gz ADTPNYPFOWBEHJ-HIFRSBDPSA-N 1 0 342.480 2.727 10 10 EFCERO CCN(CC)c1ccc(C[NH2+][C@@H]2CC[C@@H](C)S(=O)(=O)C2)cc1F ZINC000850367563 1250450954 /nfs/dbraw/zinc/45/09/54/1250450954.db2.gz ADTPNYPFOWBEHJ-UKRRQHHQSA-N 1 0 342.480 2.727 10 10 EFCERO Oc1cc2c(cc1C[NH2+]C[C@@H]1C[C@H](c3ccccc3)CO1)OCO2 ZINC000850378338 1250454152 /nfs/dbraw/zinc/45/41/52/1250454152.db2.gz YUWGSRAYQCQZNG-HOTGVXAUSA-N 1 0 327.380 2.783 10 10 EFCERO CC(C)[C@H](O)[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000850395042 1250463495 /nfs/dbraw/zinc/46/34/95/1250463495.db2.gz MPVRYAYZSRSTJS-MOPGFXCFSA-N 1 0 329.396 2.969 10 10 EFCERO CC(C)[C@H](O)[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000850395043 1250463734 /nfs/dbraw/zinc/46/37/34/1250463734.db2.gz MPVRYAYZSRSTJS-OALUTQOASA-N 1 0 329.396 2.969 10 10 EFCERO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@@H]3CCCC34CC4)cc2)C1 ZINC000850426408 1250480997 /nfs/dbraw/zinc/48/09/97/1250480997.db2.gz VFDUIDAIGSQPIG-SJLPKXTDSA-N 1 0 327.472 2.811 10 10 EFCERO COc1ccc(N2CC[C@@H]([NH2+][C@H](Cn3cccn3)C(C)C)C2)cc1 ZINC000850489273 1250500424 /nfs/dbraw/zinc/50/04/24/1250500424.db2.gz SLGPOJVODMDACK-VQIMIIECSA-N 1 0 328.460 2.785 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+][C@H](CO)C2CCC2)c1O ZINC000850487192 1250503890 /nfs/dbraw/zinc/50/38/90/1250503890.db2.gz GGRQILUMCWVUEC-NOZJJQNGSA-N 1 0 344.249 2.975 10 10 EFCERO COCc1n[nH]c(CN[C@H](C)c2ccc(N3CCCCC3)cc2)n1 ZINC000850514687 1250518774 /nfs/dbraw/zinc/51/87/74/1250518774.db2.gz PGUGTTJZQHVTLE-CQSZACIVSA-N 1 0 329.448 2.792 10 10 EFCERO C[C@H]([NH2+]CCO[C@H]1CC1(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000850519427 1250523921 /nfs/dbraw/zinc/52/39/21/1250523921.db2.gz LTRHFVRIJMYUDJ-LRDDRELGSA-N 1 0 344.377 2.737 10 10 EFCERO C[C@H]([NH2+]CCO[C@@H]1CC1(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000850519426 1250524240 /nfs/dbraw/zinc/52/42/40/1250524240.db2.gz LTRHFVRIJMYUDJ-BLLLJJGKSA-N 1 0 344.377 2.737 10 10 EFCERO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c1 ZINC000850557079 1250533960 /nfs/dbraw/zinc/53/39/60/1250533960.db2.gz KWBMNUPGXQLBOG-KFKAGJAMSA-N 1 0 330.472 2.995 10 10 EFCERO C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[C@H]2CCC[C@@H]21 ZINC000850568067 1250540577 /nfs/dbraw/zinc/54/05/77/1250540577.db2.gz OTYYWCMDVRVIFY-HKBOAZHASA-N 1 0 343.515 2.610 10 10 EFCERO C[C@H](CSCCF)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850568570 1250541157 /nfs/dbraw/zinc/54/11/57/1250541157.db2.gz AWIQIFODGZRXFR-CQSZACIVSA-N 1 0 326.481 2.829 10 10 EFCERO CC[NH+](CC)[C@H](C)Cn1c(C)nnc1N(C)Cc1ccccc1O ZINC001746059023 1251470275 /nfs/dbraw/zinc/47/02/75/1251470275.db2.gz JKHVEYOCCAJYLM-CQSZACIVSA-N 1 0 331.464 2.659 10 10 EFCERO CCNC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc3ccccc3c2O)C1 ZINC000186109898 1254350945 /nfs/dbraw/zinc/35/09/45/1254350945.db2.gz QTFVQDSCMDLSSV-HIFRSBDPSA-N 1 0 327.428 3.000 10 10 EFCERO CS(=O)(=O)C1CCC(C[NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000922418189 1265992244 /nfs/dbraw/zinc/99/22/44/1265992244.db2.gz NUBCKAIZCVFULG-UHFFFAOYSA-N 1 0 337.485 2.705 10 10 EFCERO Fc1cc(C[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)ccc1N1CCOCC1 ZINC000921553857 1257261668 /nfs/dbraw/zinc/26/16/68/1257261668.db2.gz XMPJXSQIZGCVKF-RCCFBDPRSA-N 1 0 348.462 2.957 10 10 EFCERO CN(C)c1cc(F)c(C[NH2+][C@H]2CCCN3CCSC[C@@H]23)cc1F ZINC000922524998 1266199742 /nfs/dbraw/zinc/19/97/42/1266199742.db2.gz KVDWBCBADCNGDV-RDJZCZTQSA-N 1 0 341.471 2.700 10 10 EFCERO COc1ccc(N2CCC([NH2+]Cc3c4c(nn3C)CCC4)CC2)cc1 ZINC000921657656 1259542305 /nfs/dbraw/zinc/54/23/05/1259542305.db2.gz XWQCBPQNBCYCPY-UHFFFAOYSA-N 1 0 340.471 2.676 10 10 EFCERO Cc1cc(Br)c(O)c(CN2CC[NH2+]C[C@](C)(F)C2)c1 ZINC000843125426 1260533794 /nfs/dbraw/zinc/53/37/94/1260533794.db2.gz WEXVSXYFEXKVHE-AWEZNQCLSA-N 1 0 331.229 2.597 10 10 EFCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)c2cc(F)c[nH]2)cc1C ZINC001272922432 1261390374 /nfs/dbraw/zinc/39/03/74/1261390374.db2.gz ZVHIAYGYZAFDDK-CYBMUJFWSA-N 1 0 333.407 2.769 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2cccn2C)cc1C ZINC001485850231 1262425175 /nfs/dbraw/zinc/42/51/75/1262425175.db2.gz QHNZBIOTCANUGR-HNNXBMFYSA-N 1 0 329.444 2.592 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2ccn(C)c2C)cc1C ZINC001485919876 1262499761 /nfs/dbraw/zinc/49/97/61/1262499761.db2.gz NKIGNUPZXLDCEZ-OAHLLOKOSA-N 1 0 343.471 2.901 10 10 EFCERO CC[C@H](F)C[NH2+][C@@H](C)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001485963774 1262547837 /nfs/dbraw/zinc/54/78/37/1262547837.db2.gz SYAWGFYQMDZHGH-AAEUAGOBSA-N 1 0 337.399 2.647 10 10 EFCERO C[C@@H]1[C@H]([NH2+]C/C=C\Cl)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001486095623 1262618668 /nfs/dbraw/zinc/61/86/68/1262618668.db2.gz LQCZZWOLXJRQBN-HWMBENBWSA-N 1 0 349.822 2.794 10 10 EFCERO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)COCC3CC3)[C@@H]2C)cc1C ZINC001486073212 1262624803 /nfs/dbraw/zinc/62/48/03/1262624803.db2.gz XOPNVGVSAMBBIV-CRAIPNDOSA-N 1 0 346.471 2.509 10 10 EFCERO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)COC(C)(C)C)C2)cc1C ZINC001486110074 1262642306 /nfs/dbraw/zinc/64/23/06/1262642306.db2.gz SVOCJDOSBHFZBN-DOTOQJQBSA-N 1 0 348.487 2.898 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)COC(C)(C)C)C2)cc1C ZINC001486110076 1262642477 /nfs/dbraw/zinc/64/24/77/1262642477.db2.gz SVOCJDOSBHFZBN-RDJZCZTQSA-N 1 0 348.487 2.898 10 10 EFCERO COc1ccc(N2CCC([NH2+]CCc3cc(C)n(C)n3)CC2)cc1 ZINC000922686044 1266589081 /nfs/dbraw/zinc/58/90/81/1266589081.db2.gz PPOMMJAWAFPWDK-UHFFFAOYSA-N 1 0 328.460 2.538 10 10 EFCERO [O-]c1c(F)cc(Cl)cc1C[N@@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000824654314 1278218997 /nfs/dbraw/zinc/21/89/97/1278218997.db2.gz MUCHBPVBXPTYHO-ZBINZKHDSA-N 1 0 329.799 2.547 10 10 EFCERO c1cc(-c2nncnn2)ccc1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922221648 1265020679 /nfs/dbraw/zinc/02/06/79/1265020679.db2.gz JOLPGPIOSYNCPW-UHFFFAOYSA-N 1 0 333.395 2.548 10 10 EFCERO Oc1cc2c(cc1C[NH2+]Cc1nc(-c3ccncc3)cs1)OCO2 ZINC000733332123 1265173233 /nfs/dbraw/zinc/17/32/33/1265173233.db2.gz ZSRILIJJKLUUHU-UHFFFAOYSA-N 1 0 341.392 2.929 10 10 EFCERO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCCCC[C@H]3C)CC2)cc1 ZINC000734002050 1266808132 /nfs/dbraw/zinc/80/81/32/1266808132.db2.gz KGEIKNPSKZGXRX-QGZVFWFLSA-N 1 0 345.487 2.608 10 10 EFCERO CN(C)c1cc(F)c(C[NH2+]C[C@H]2CCC3(CCOCC3)O2)cc1F ZINC000922813581 1266917104 /nfs/dbraw/zinc/91/71/04/1266917104.db2.gz WIPRDMSWDBPJRP-CQSZACIVSA-N 1 0 340.414 2.849 10 10 EFCERO FCC1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCOCC1 ZINC000824794929 1278312076 /nfs/dbraw/zinc/31/20/76/1278312076.db2.gz JEMQIRWBPVLGLJ-UHFFFAOYSA-N 1 0 340.414 2.518 10 10 EFCERO Cc1cccnc1CC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000824794255 1278312714 /nfs/dbraw/zinc/31/27/14/1278312714.db2.gz BXWDKYRRSWYYPA-UHFFFAOYSA-N 1 0 329.419 2.698 10 10 EFCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)COC(C)(C)C ZINC001273341774 1267674720 /nfs/dbraw/zinc/67/47/20/1267674720.db2.gz SYGNTRAVTRNVMZ-UHFFFAOYSA-N 1 0 336.476 2.757 10 10 EFCERO COc1cccc(C[N@@H+]2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)c1O ZINC000825031068 1278389669 /nfs/dbraw/zinc/38/96/69/1278389669.db2.gz XRTFTMJVSSSGBI-ZBFHGGJFSA-N 1 0 333.428 2.908 10 10 EFCERO CN(C)c1ncccc1C[NH2+]Cc1ccc(Br)cc1O ZINC000825114631 1278415930 /nfs/dbraw/zinc/41/59/30/1278415930.db2.gz UJSNUCQMAODPRA-UHFFFAOYSA-N 1 0 336.233 2.906 10 10 EFCERO [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000825124757 1278419395 /nfs/dbraw/zinc/41/93/95/1278419395.db2.gz XJYJZLMNMPKLLG-MADCSZMMSA-N 1 0 327.705 2.930 10 10 EFCERO Cc1cc(O)c(C[NH2+][C@@H]2CCCN(c3ncccn3)C2)cc1Cl ZINC000825125031 1278419961 /nfs/dbraw/zinc/41/99/61/1278419961.db2.gz DFDKLSWROISCRH-CQSZACIVSA-N 1 0 332.835 2.903 10 10 EFCERO COc1cc(C)cc(C[NH+]2CCC(N3CCCCC3=O)CC2)c1O ZINC000164511272 1268770502 /nfs/dbraw/zinc/77/05/02/1268770502.db2.gz DELXTRZWWALWRD-UHFFFAOYSA-N 1 0 332.444 2.686 10 10 EFCERO CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CO[C@H](C4CC4)C3)cc2F)CC1 ZINC000825234867 1278478607 /nfs/dbraw/zinc/47/86/07/1278478607.db2.gz ZILSQKQYCGIHEZ-XLIONFOSSA-N 1 0 347.478 2.625 10 10 EFCERO COc1ccc(N2CC[NH+](Cc3cc(C)c(C)cc3O)CC2)nc1 ZINC000825305553 1278499800 /nfs/dbraw/zinc/49/98/00/1278499800.db2.gz NBJCZHCYWDSMHF-UHFFFAOYSA-N 1 0 327.428 2.735 10 10 EFCERO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)CC1=O ZINC000742393208 1270019088 /nfs/dbraw/zinc/01/90/88/1270019088.db2.gz WVNGQNKHQDXMRK-SUMDDJOVSA-N 1 0 327.472 2.776 10 10 EFCERO C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)CC1=O ZINC000742393207 1270019172 /nfs/dbraw/zinc/01/91/72/1270019172.db2.gz WVNGQNKHQDXMRK-HHXXYDBFSA-N 1 0 327.472 2.776 10 10 EFCERO Oc1cc2c(cc1C[NH+]1CCC(c3nnc4n3CCC4)CC1)CCC2 ZINC000743354213 1270545758 /nfs/dbraw/zinc/54/57/58/1270545758.db2.gz NAASRNMSKNSCQH-UHFFFAOYSA-N 1 0 338.455 2.798 10 10 EFCERO CCc1cc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)oc1CC ZINC000844162642 1278791913 /nfs/dbraw/zinc/79/19/13/1278791913.db2.gz KHQASQVZUNZKNV-MRXNPFEDSA-N 1 0 329.444 2.900 10 10 EFCERO CC1(C)C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CC2(CCCC2)O1 ZINC000785520372 1275107013 /nfs/dbraw/zinc/10/70/13/1275107013.db2.gz WQKXYJNZYPWCIG-MRXNPFEDSA-N 1 0 333.428 2.742 10 10 EFCERO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@H](O)c2ccc3c(c2)OCO3)c1 ZINC000787008206 1275606390 /nfs/dbraw/zinc/60/63/90/1275606390.db2.gz ASPZAKQFDOYYJK-ZKTNFTSUSA-N 1 0 345.395 2.902 10 10 EFCERO Fc1cc(C[NH2+][C@H](C2CC2)[C@H]2CCCOC2)ccc1N1CCOCC1 ZINC000922898542 1276276828 /nfs/dbraw/zinc/27/68/28/1276276828.db2.gz SHUVBYXJEMCSQF-FXAWDEMLSA-N 1 0 348.462 2.957 10 10 EFCERO CN(C)c1ccc([C@H](N)C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)cc1 ZINC000817942563 1276389250 /nfs/dbraw/zinc/38/92/50/1276389250.db2.gz PPHBJUXFMNTZRG-MTFMMBMASA-N 1 0 331.504 2.937 10 10 EFCERO C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cc(Br)c(F)cc1[O-] ZINC000817954105 1276398109 /nfs/dbraw/zinc/39/81/09/1276398109.db2.gz BSRRCOPWCDOJIJ-ZJUUUORDSA-N 1 0 331.229 2.944 10 10 EFCERO C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1cc(Br)c(F)cc1[O-] ZINC000817972093 1276415731 /nfs/dbraw/zinc/41/57/31/1276415731.db2.gz SXRFMYLBGUTOHJ-MWODSPESSA-N 1 0 331.229 2.942 10 10 EFCERO CCCN(CCC)c1ccc(C[NH2+]C[C@@H](O)c2ccnn2C)cc1 ZINC000922975978 1276429271 /nfs/dbraw/zinc/42/92/71/1276429271.db2.gz ABNPLVULGDTMOR-LJQANCHMSA-N 1 0 330.476 2.870 10 10 EFCERO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CN(C4CC4)C[C@@H]3C)C2)cc1 ZINC000818341558 1276510281 /nfs/dbraw/zinc/51/02/81/1276510281.db2.gz ANUBKXUUUYZAMF-YRNRMSPPSA-N 1 0 329.488 2.594 10 10 EFCERO CC[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1ccc(C(F)(F)F)cc1O ZINC000818362641 1276520264 /nfs/dbraw/zinc/52/02/64/1276520264.db2.gz ZHSWXCCNQSQWJO-NEPJUHHUSA-N 1 0 344.333 2.599 10 10 EFCERO Cc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000818985339 1276563322 /nfs/dbraw/zinc/56/33/22/1276563322.db2.gz RBOOFKXAUAYNNQ-INIZCTEOSA-N 1 0 332.419 2.730 10 10 EFCERO Cc1cc(Cl)cc(C[N@H+](C)CCN2CCOC(C)(C)C2)c1O ZINC000789763955 1276971481 /nfs/dbraw/zinc/97/14/81/1276971481.db2.gz BAULYXWURZERMH-UHFFFAOYSA-N 1 0 326.868 2.897 10 10 EFCERO CCOC(=O)CC1([NH2+]Cc2cc(OC)c(OC)cc2O)CCCC1 ZINC000789778788 1276991228 /nfs/dbraw/zinc/99/12/28/1276991228.db2.gz KZHNLSQYKBXHKN-UHFFFAOYSA-N 1 0 337.416 2.765 10 10 EFCERO CC1(C)Cc2n[nH]cc2C[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000828013782 1277467062 /nfs/dbraw/zinc/46/70/62/1277467062.db2.gz KJGUDTLBWDTRMK-UHFFFAOYSA-N 1 0 340.471 2.831 10 10 EFCERO CCN(C)c1ccc(C[N@@H+]2CCCC[C@H]2CCS(C)(=O)=O)cc1 ZINC000815120087 1287313826 /nfs/dbraw/zinc/31/38/26/1287313826.db2.gz ACTPMXICUCZPOQ-SFHVURJKSA-N 1 0 338.517 2.932 10 10 EFCERO Cc1cc(C[N@@H+]2CCCC[C@H]2CCS(C)(=O)=O)ccc1N(C)C ZINC000815121908 1287315312 /nfs/dbraw/zinc/31/53/12/1287315312.db2.gz ZTIIGNYBBLCSDV-KRWDZBQOSA-N 1 0 338.517 2.850 10 10 EFCERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792790946 1279153759 /nfs/dbraw/zinc/15/37/59/1279153759.db2.gz VMBMIWVVBRUFOD-WCQYABFASA-N 1 0 343.393 2.857 10 10 EFCERO CO[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC000792929468 1279282067 /nfs/dbraw/zinc/28/20/67/1279282067.db2.gz CTCBXTFIYYYMRT-ICSRJNTNSA-N 1 0 332.488 2.943 10 10 EFCERO CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@H](C(N)=O)C2)c(C(F)(F)F)c1 ZINC000792991857 1279318676 /nfs/dbraw/zinc/31/86/76/1279318676.db2.gz LKYBGTDDGRHOHX-WCQYABFASA-N 1 0 343.393 2.905 10 10 EFCERO CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H](C(N)=O)C2)c(C(F)(F)F)c1 ZINC000792991856 1279319153 /nfs/dbraw/zinc/31/91/53/1279319153.db2.gz LKYBGTDDGRHOHX-DGCLKSJQSA-N 1 0 343.393 2.905 10 10 EFCERO COc1ccc(O)c([C@H](C)NC(=O)NCCC[N@H+](C)CC(C)C)c1 ZINC000845308972 1279567129 /nfs/dbraw/zinc/56/71/29/1279567129.db2.gz FOMRSIKIBOAETR-AWEZNQCLSA-N 1 0 337.464 2.739 10 10 EFCERO C[C@@H](O)[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1F ZINC000846015964 1279977927 /nfs/dbraw/zinc/97/79/27/1279977927.db2.gz FERICBVLDHXGBI-QRWLVFNGSA-N 1 0 344.430 2.874 10 10 EFCERO COc1cc(O)c(C[NH2+][C@@H](C)[C@@](C)(O)c2ccccc2)cc1OC ZINC000846037347 1279995617 /nfs/dbraw/zinc/99/56/17/1279995617.db2.gz MQYHKDOEGKSUDE-ORAYPTAESA-N 1 0 331.412 2.795 10 10 EFCERO Oc1ccccc1CN1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000846049982 1280000010 /nfs/dbraw/zinc/00/00/10/1280000010.db2.gz YHHNAZVOUQQKPU-FPOVZHCZSA-N 1 0 338.451 2.868 10 10 EFCERO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H](C1CC1)C1CCOCC1 ZINC000846046220 1280000314 /nfs/dbraw/zinc/00/03/14/1280000314.db2.gz YVGVMEFXFSNERS-FQEVSTJZSA-N 1 0 330.472 2.818 10 10 EFCERO Oc1ccccc1CN1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000846049987 1280002452 /nfs/dbraw/zinc/00/24/52/1280002452.db2.gz YHHNAZVOUQQKPU-TZIWHRDSSA-N 1 0 338.451 2.868 10 10 EFCERO COC(=O)[C@@H]1C[N@H+](C/C=C/c2ccc(N(C)C)cc2)C[C@H]1C1CC1 ZINC000846119785 1280025879 /nfs/dbraw/zinc/02/58/79/1280025879.db2.gz IXSJSZSYOQWCDY-WWAPKCSDSA-N 1 0 328.456 2.897 10 10 EFCERO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCc3c2ccc(=O)n3C)c1 ZINC000846122335 1280026783 /nfs/dbraw/zinc/02/67/83/1280026783.db2.gz HTQWISFEBUKLPJ-WBMJQRKESA-N 1 0 328.412 2.828 10 10 EFCERO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCCc2c1ccc(=O)n2C ZINC000846123281 1280028187 /nfs/dbraw/zinc/02/81/87/1280028187.db2.gz OXPDJPVGMKHMBX-SFHVURJKSA-N 1 0 325.456 2.927 10 10 EFCERO COc1cccc([C@H](C)[NH2+]CCCNC(=O)c2cccs2)c1O ZINC000846151057 1280038591 /nfs/dbraw/zinc/03/85/91/1280038591.db2.gz UIZKYAREOSIHPG-LBPRGKRZSA-N 1 0 334.441 2.933 10 10 EFCERO COc1cccc([C@H](C)[NH2+][C@@H](C)[C@H](O)c2ccc3c(c2)OCO3)c1O ZINC000846168237 1280045672 /nfs/dbraw/zinc/04/56/72/1280045672.db2.gz RMBCZGUBWRQPCW-PZROIBLQSA-N 1 0 345.395 2.902 10 10 EFCERO COc1cccc([C@@H](C)[NH2+]Cc2cccc(CS(C)(=O)=O)c2)c1O ZINC000846141159 1280051143 /nfs/dbraw/zinc/05/11/43/1280051143.db2.gz FJEDSDOIJZDBIC-CYBMUJFWSA-N 1 0 349.452 2.796 10 10 EFCERO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@@H](O)c1ccccc1 ZINC000808443748 1281713274 /nfs/dbraw/zinc/71/32/74/1281713274.db2.gz BJHHTMGLKTXNEB-FOIQADDNSA-N 1 0 344.430 2.874 10 10 EFCERO CC1(C)CC[NH2+]CCN1C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000872298203 1287528575 /nfs/dbraw/zinc/52/85/75/1287528575.db2.gz CVRKYPQJMMUBGJ-UHFFFAOYSA-N 1 0 344.484 2.530 10 10 EFCERO COC(=O)[C@@](C)(O)C[N@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000808742313 1281891934 /nfs/dbraw/zinc/89/19/34/1281891934.db2.gz OQZABXWCILWWIN-YWZLYKJASA-N 1 0 343.423 2.879 10 10 EFCERO NC(=O)c1csc(C[NH2+]Cc2cc(Br)ccc2O)c1 ZINC000809712258 1282420909 /nfs/dbraw/zinc/42/09/09/1282420909.db2.gz HTBITWLOPOPZQA-UHFFFAOYSA-N 1 0 341.230 2.605 10 10 EFCERO Cn1ncc(Cl)c1C[NH2+]Cc1cc(Br)ccc1O ZINC000809713567 1282421206 /nfs/dbraw/zinc/42/12/06/1282421206.db2.gz TZSFVAJMRSACID-UHFFFAOYSA-N 1 0 330.613 2.831 10 10 EFCERO Cc1cc(Br)cc(C[NH2+]CC[C@@H](O)C(F)(F)F)c1O ZINC000809743170 1282445049 /nfs/dbraw/zinc/44/50/49/1282445049.db2.gz LYGINWQEAITAAA-SNVBAGLBSA-N 1 0 342.155 2.866 10 10 EFCERO CN(C)c1ccc(CNC(=O)C[NH+]2CCC(C)(C3CC3)CC2)cc1 ZINC000810064683 1282844644 /nfs/dbraw/zinc/84/46/44/1282844644.db2.gz PXGSOGDOFGJWJM-UHFFFAOYSA-N 1 0 329.488 2.881 10 10 EFCERO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCCCSc2nccs2)C1 ZINC000810397824 1283190383 /nfs/dbraw/zinc/19/03/83/1283190383.db2.gz ANHGNCPBOTYWDG-HNNXBMFYSA-N 1 0 345.509 2.954 10 10 EFCERO CC[N@H+](Cc1cc(Br)cc(OC)c1O)[C@@H]1CCOC1 ZINC000812780623 1285412225 /nfs/dbraw/zinc/41/22/25/1285412225.db2.gz KUBFYEJZGGEKLL-GFCCVEGCSA-N 1 0 330.222 2.774 10 10 EFCERO COc1ccc(N2CCN(CCC[NH2+][C@@H]3C[C@H](C)[C@@H]3C)CC2)cc1 ZINC000813854520 1286144897 /nfs/dbraw/zinc/14/48/97/1286144897.db2.gz FDLFJBSOAOOLRB-ABSDTBQOSA-N 1 0 331.504 2.841 10 10 EFCERO COc1ccc(N2CCC[N@@H+]([C@@H]3CCN(C(C)(C)C)C3=O)CC2)cc1 ZINC000822583943 1289054969 /nfs/dbraw/zinc/05/49/69/1289054969.db2.gz XLTKDVHYKNDVNP-GOSISDBHSA-N 1 0 345.487 2.607 10 10 EFCERO Cc1cc(Br)cc([C@H](C)[NH2+]C2COCCOC2)c1O ZINC000813878691 1286166361 /nfs/dbraw/zinc/16/63/61/1286166361.db2.gz FFDZBRFGPBSZCN-JTQLQIEISA-N 1 0 330.222 2.529 10 10 EFCERO Cc1cc(Br)c(O)c(CN2CC[C@@H]3C[N@@H+](C)C[C@@H]32)c1 ZINC000814173041 1286353949 /nfs/dbraw/zinc/35/39/49/1286353949.db2.gz FJXDAVRHAHVHQU-RISCZKNCSA-N 1 0 325.250 2.599 10 10 EFCERO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@@H]2CC3CCC2CC3)cc1 ZINC000814651954 1286853015 /nfs/dbraw/zinc/85/30/15/1286853015.db2.gz PLHIQVAGAHRQBO-GXOAENINSA-N 1 0 329.488 2.879 10 10 EFCERO CC[NH+](CC)[C@@H](C(=O)NCc1cc(O)ccc1O)c1ccccc1 ZINC001176748685 1288093853 /nfs/dbraw/zinc/09/38/53/1288093853.db2.gz ZOIICGHDYROABP-GOSISDBHSA-N 1 0 328.412 2.797 10 10 EFCERO OCC1([C@H]([NH2+]Cc2ccc3c(c2)CCO3)C2CCOCC2)CCC1 ZINC000822525641 1289009602 /nfs/dbraw/zinc/00/96/02/1289009602.db2.gz KTVFUTIMFMHGKZ-LJQANCHMSA-N 1 0 331.456 2.669 10 10 EFCERO Cc1cc(CC(=O)NC[C@@H]2CC[N@@H+](C)C2)c(C)n1-c1ccccc1 ZINC000823028136 1289185174 /nfs/dbraw/zinc/18/51/74/1289185174.db2.gz XGVHIRZCFMUYLP-KRWDZBQOSA-N 1 0 325.456 2.705 10 10 EFCERO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CC[C@@H]3C)cc2F)CC1 ZINC000805863881 1289629127 /nfs/dbraw/zinc/62/91/27/1289629127.db2.gz BMURKYSUYJRYCF-WMLDXEAASA-N 1 0 348.466 2.565 10 10 EFCERO COc1ccc(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)cc1C ZINC000824515688 1289678804 /nfs/dbraw/zinc/67/88/04/1289678804.db2.gz HARYBZUZMIBFSA-HNNXBMFYSA-N 1 0 331.437 2.664 10 10 EFCERO COc1cc(C[N@H+](CCO)[C@H]2CCO[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000826096853 1291984050 /nfs/dbraw/zinc/98/40/50/1291984050.db2.gz GAJBBHLISFLWBW-DYVFJYSZSA-N 1 0 337.460 2.670 10 10 EFCERO CCOc1ccc(O)c(C[NH2+][C@H](C)[C@@H]2CCCN(C(=O)OC)C2)c1 ZINC000775346271 1291989651 /nfs/dbraw/zinc/98/96/51/1291989651.db2.gz LAUTUJSMUCCPTH-ZIAGYGMSSA-N 1 0 336.432 2.747 10 10 EFCERO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC000775350437 1291999251 /nfs/dbraw/zinc/99/92/51/1291999251.db2.gz LVYHYFGJKHSCPW-ZFWWWQNUSA-N 1 0 337.439 2.848 10 10 EFCERO CCO[C@H]1C[C@@H]([N@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)C1(C)C ZINC001191165873 1292486571 /nfs/dbraw/zinc/48/65/71/1292486571.db2.gz YWZYXLHZOTYIHF-MSOLQXFVSA-N 1 0 347.503 2.504 10 10 EFCERO CC[C@@H]([NH2+]CC[S@](=O)CC)c1cc(Br)ccc1O ZINC000132474648 1293665112 /nfs/dbraw/zinc/66/51/12/1293665112.db2.gz RJYYPKROTPFGBI-XIKOKIGWSA-N 1 0 334.279 2.964 10 10 EFCERO Cc1cc(Br)cc(C[N@@H+]2CCCC[C@H]2CC(N)=O)c1O ZINC000775663918 1293960071 /nfs/dbraw/zinc/96/00/71/1293960071.db2.gz HJYBMDVFFQISMV-ZDUSSCGKSA-N 1 0 341.249 2.693 10 10 EFCERO Oc1cc2c(cc1C[NH2+]CC[C@H]1CCC3(CCOCC3)CO1)OCO2 ZINC000886301189 1294833083 /nfs/dbraw/zinc/83/30/83/1294833083.db2.gz YYZRSAWQEIXNKX-OAHLLOKOSA-N 1 0 349.427 2.576 10 10 EFCERO CC1(C)CO[C@@H](CC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000886305595 1294836792 /nfs/dbraw/zinc/83/67/92/1294836792.db2.gz LSBPQDYZSQAHHD-IBGZPJMESA-N 1 0 332.488 2.943 10 10 EFCERO C[C@@H]([NH2+]CCc1nnnn1-c1ccccc1)c1ccc(N(C)C)cc1 ZINC000775836131 1294971148 /nfs/dbraw/zinc/97/11/48/1294971148.db2.gz JSYLXURPPHRTBY-OAHLLOKOSA-N 1 0 336.443 2.622 10 10 EFCERO c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1CCOCC12CCCC2 ZINC001198753971 1295235670 /nfs/dbraw/zinc/23/56/70/1295235670.db2.gz SVJYDSIUEDTRDI-IBGZPJMESA-N 1 0 330.472 2.962 10 10 EFCERO Cc1cc(Br)c(O)c(CN2CC[N@@H+](C)[C@H](C)[C@@H]2C)c1 ZINC000775983173 1295569647 /nfs/dbraw/zinc/56/96/47/1295569647.db2.gz BKMKWDNGJXULKU-NEPJUHHUSA-N 1 0 327.266 2.988 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)CCC2CCOCC2)cc1C ZINC001275327803 1296259136 /nfs/dbraw/zinc/25/91/36/1296259136.db2.gz DKJAGJVPYATTBV-INIZCTEOSA-N 1 0 348.487 2.805 10 10 EFCERO COc1ccc(C[NH2+]CCCN(C)C(=O)c2ccncc2F)cc1C ZINC001275930591 1296456924 /nfs/dbraw/zinc/45/69/24/1296456924.db2.gz PABWFOUWJFQQGY-UHFFFAOYSA-N 1 0 345.418 2.790 10 10 EFCERO CCOC(=O)c1c[nH]nc1[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000931011129 1297306321 /nfs/dbraw/zinc/30/63/21/1297306321.db2.gz VAZGCXSFWCDJSY-HNNXBMFYSA-N 1 0 342.443 2.642 10 10 EFCERO COc1ccc(C(=O)N(C)C[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)o1 ZINC001277968355 1313396096 /nfs/dbraw/zinc/39/60/96/1313396096.db2.gz GXGNPCNJNATFFL-AWEZNQCLSA-N 1 0 346.427 2.856 10 10 EFCERO Cc1cc(Br)c(O)c(CN2CC[C@H](C)C[C@@H]2C(N)=O)c1 ZINC000779203646 1298054519 /nfs/dbraw/zinc/05/45/19/1298054519.db2.gz FYGWKCRWTHQKQA-TVQRCGJNSA-N 1 0 341.249 2.549 10 10 EFCERO Cc1cc(Br)c([O-])c(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000903957345 1313486893 /nfs/dbraw/zinc/48/68/93/1313486893.db2.gz PYEQQGSKSTYKTR-NSHDSACASA-N 1 0 349.219 2.798 10 10 EFCERO Fc1cc(CN2CCCC[C@]3(CC[NH2+]C3)C2)ccc1N1CCOCC1 ZINC000903959708 1313492039 /nfs/dbraw/zinc/49/20/39/1313492039.db2.gz MSKXROKXAGGVGR-HXUWFJFHSA-N 1 0 347.478 2.628 10 10 EFCERO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@H](COC)OC ZINC000851793612 1299397467 /nfs/dbraw/zinc/39/74/67/1299397467.db2.gz YVOGGXGTFUEBFF-CYBMUJFWSA-N 1 0 332.238 2.638 10 10 EFCERO Cc1cc(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c(C)n1-c1ccc(F)cc1 ZINC000852919052 1299938570 /nfs/dbraw/zinc/93/85/70/1299938570.db2.gz PAIUBJUKMZZBCQ-IAGOWNOFSA-N 1 0 333.382 2.745 10 10 EFCERO CCN(C(=O)NCc1ccc(N(C)C)cc1C)[C@@H]1CC[N@H+](CC)C1 ZINC000853748834 1300256635 /nfs/dbraw/zinc/25/66/35/1300256635.db2.gz JPIWDZQDOSBGOH-GOSISDBHSA-N 1 0 332.492 2.687 10 10 EFCERO CCN(C(=O)NCc1ccc(N2CC=CC2)cc1)[C@@H]1CC[N@H+](CC)C1 ZINC000853776754 1300271706 /nfs/dbraw/zinc/27/17/06/1300271706.db2.gz VFYAILYINHXIOC-LJQANCHMSA-N 1 0 342.487 2.689 10 10 EFCERO CN(C)c1ccc(C[NH+]2CC(C)(c3nnc(-c4cccnc4)o3)C2)cc1 ZINC000854078486 1300418256 /nfs/dbraw/zinc/41/82/56/1300418256.db2.gz CUSFSICCJZRYOF-UHFFFAOYSA-N 1 0 349.438 2.971 10 10 EFCERO Cc1cc(CC(=O)NOC2CC[NH+](C)CC2)c(C)n1-c1ccccc1 ZINC000854358308 1300533745 /nfs/dbraw/zinc/53/37/45/1300533745.db2.gz VBQSLUSZGRNOKF-UHFFFAOYSA-N 1 0 341.455 2.779 10 10 EFCERO Cc1cc(CC(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)c(C)n1-c1ccccc1 ZINC000854824500 1300702536 /nfs/dbraw/zinc/70/25/36/1300702536.db2.gz MSNFAFIMQYVQSJ-XLIONFOSSA-N 1 0 337.467 2.799 10 10 EFCERO COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)[NH+]3CCCCCC3)C2)cc1 ZINC000855229642 1300851072 /nfs/dbraw/zinc/85/10/72/1300851072.db2.gz BMQFORKZPFNVQD-SJORKVTESA-N 1 0 345.487 2.655 10 10 EFCERO COC(=O)c1ccc(C[N@H+](C)Cc2ccc(N(C)C)c(C)c2)nc1 ZINC000859332768 1301437074 /nfs/dbraw/zinc/43/70/74/1301437074.db2.gz OHGXIURFMKSVNL-UHFFFAOYSA-N 1 0 327.428 2.875 10 10 EFCERO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000861660653 1302185612 /nfs/dbraw/zinc/18/56/12/1302185612.db2.gz GNWODDSLQJKAQZ-GOSISDBHSA-N 1 0 344.503 2.957 10 10 EFCERO CN(C)c1ccc(CN(C(=O)N[C@H]2CC[NH2+]C23CCC3)C2CC2)cc1 ZINC000861662665 1302187247 /nfs/dbraw/zinc/18/72/47/1302187247.db2.gz ZEPOPYUSRHIMFX-SFHVURJKSA-N 1 0 342.487 2.711 10 10 EFCERO CN(C)c1cc(F)c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)cc1F ZINC000862253179 1302320783 /nfs/dbraw/zinc/32/07/83/1302320783.db2.gz MFVSOJGDJCSHKI-BLLLJJGKSA-N 1 0 337.414 2.521 10 10 EFCERO CCC(C)(C)OC1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000862470444 1302392260 /nfs/dbraw/zinc/39/22/60/1302392260.db2.gz PPPWWTUIDVKABB-UHFFFAOYSA-N 1 0 331.504 2.828 10 10 EFCERO COC(=O)[C@]1(OC)CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000862474625 1302395088 /nfs/dbraw/zinc/39/50/88/1302395088.db2.gz WRTFKIIIMUMVQW-FQEVSTJZSA-N 1 0 341.407 2.823 10 10 EFCERO CC[C@@H]1[NH2+]CC[C@H]1NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000863646629 1302667869 /nfs/dbraw/zinc/66/78/69/1302667869.db2.gz NAAFGHDONDIALX-JKSUJKDBSA-N 1 0 332.448 2.815 10 10 EFCERO COc1ccc(N2CCC([NH2+]Cc3ncnn3C(C)C)CC2)cc1 ZINC000865444535 1303259365 /nfs/dbraw/zinc/25/93/65/1303259365.db2.gz RDPZJCGQKRXKBQ-UHFFFAOYSA-N 1 0 329.448 2.626 10 10 EFCERO CC1(C)CC[C@@H](O)[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000865699561 1303370226 /nfs/dbraw/zinc/37/02/26/1303370226.db2.gz BBVUWJCEWFEHHU-SJLPKXTDSA-N 1 0 336.451 2.692 10 10 EFCERO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2CC3(CO2)CCOCC3)cc1 ZINC000865779863 1303397274 /nfs/dbraw/zinc/39/72/74/1303397274.db2.gz QEFPXDQNMUOMBC-RTLBZRNLSA-N 1 0 330.472 2.941 10 10 EFCERO c1cc(N2CCOCC2)ccc1C[NH2+]C[C@H]1CCC12CCOCC2 ZINC000865779654 1303397848 /nfs/dbraw/zinc/39/78/48/1303397848.db2.gz ZQCJUPQMNJDYKW-GOSISDBHSA-N 1 0 330.472 2.820 10 10 EFCERO CC[C@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)c1cc(Cl)ccc1O ZINC000866413227 1303628926 /nfs/dbraw/zinc/62/89/26/1303628926.db2.gz QGZDSCOKUNMOTJ-ZFWWWQNUSA-N 1 0 326.868 2.932 10 10 EFCERO Cc1cc(C)c([C@H](C)[NH2+]Cc2nnc(C3CCOCC3)[nH]2)c(O)c1 ZINC000866440964 1303640454 /nfs/dbraw/zinc/64/04/54/1303640454.db2.gz TXNAOQOIPGVZKD-ZDUSSCGKSA-N 1 0 330.432 2.872 10 10 EFCERO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2nc3c(c(=O)[nH]2)COCC3)c1O ZINC000866630731 1303720672 /nfs/dbraw/zinc/72/06/72/1303720672.db2.gz VKKWTDVVXNRLFC-SNVBAGLBSA-N 1 0 349.818 2.773 10 10 EFCERO CC(=O)c1cc(F)cc(CN2CCOc3ccc(C[NH3+])cc32)c1O ZINC000866669614 1303740705 /nfs/dbraw/zinc/74/07/05/1303740705.db2.gz IPCDZIORAGMDCK-UHFFFAOYSA-N 1 0 330.359 2.592 10 10 EFCERO C[C@H](NC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)c1ccc(N(C)C)cc1 ZINC000868515384 1304334677 /nfs/dbraw/zinc/33/46/77/1304334677.db2.gz LJPCYPZWQMZGJS-ZVZYQTTQSA-N 1 0 330.476 2.549 10 10 EFCERO CCOc1ccc(O)c(C[NH+]2CCC(C(=O)N3CCCC3)CC2)c1 ZINC000122510243 1304694248 /nfs/dbraw/zinc/69/42/48/1304694248.db2.gz PMSVODQCAHCDHC-UHFFFAOYSA-N 1 0 332.444 2.625 10 10 EFCERO CCC1([NH+]2CCCC2)CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000870271189 1305233907 /nfs/dbraw/zinc/23/39/07/1305233907.db2.gz RWGKHALHCXOYID-VURMDHGXSA-N 1 0 344.455 2.978 10 10 EFCERO O=C(NCCCSc1nccs1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900683913 1308524435 /nfs/dbraw/zinc/52/44/35/1308524435.db2.gz TULMGHPIYUZAJM-OLZOCXBDSA-N 1 0 325.503 2.758 10 10 EFCERO Oc1cc2c(cc1C[N@@H+]1CC[C@@](F)(c3ccccc3)C1)[C@H](O)CO2 ZINC000800858609 1308559936 /nfs/dbraw/zinc/55/99/36/1308559936.db2.gz BNQUYNLYTMLTEF-MJGOQNOKSA-N 1 0 329.371 2.889 10 10 EFCERO CCCCOCC(=O)N1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@H]1C ZINC001278365111 1314286953 /nfs/dbraw/zinc/28/69/53/1314286953.db2.gz RHCZUUZGIGDASE-SJLPKXTDSA-N 1 0 348.487 2.899 10 10 EFCERO CCn1nccc1CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000801937431 1311127616 /nfs/dbraw/zinc/12/76/16/1311127616.db2.gz MTGZDYLQKNNSKC-INIZCTEOSA-N 1 0 328.460 2.633 10 10 EFCERO CCOCCC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001491243864 1311180479 /nfs/dbraw/zinc/18/04/79/1311180479.db2.gz MUAIYFRFCFJUNY-SFHVURJKSA-N 1 0 348.487 2.901 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)CSC(C)C)CC2)cc1C ZINC001277007204 1311452019 /nfs/dbraw/zinc/45/20/19/1311452019.db2.gz VPXMODQPDVWGST-UHFFFAOYSA-N 1 0 336.501 2.884 10 10 EFCERO CCCN(CC[NH+]1CCCCCC1)C(=O)Cc1ccc(O)c(O)c1 ZINC001160761952 1311776432 /nfs/dbraw/zinc/77/64/32/1311776432.db2.gz BIOUMQAXLOKVMO-UHFFFAOYSA-N 1 0 334.460 2.755 10 10 EFCERO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)c2cnco2)cc1C ZINC001277256246 1311879640 /nfs/dbraw/zinc/87/96/40/1311879640.db2.gz PGNLDYYLIGMPDK-AWEZNQCLSA-N 1 0 331.416 2.680 10 10 EFCERO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)c2cnco2)cc1C ZINC001277256249 1311879644 /nfs/dbraw/zinc/87/96/44/1311879644.db2.gz PGNLDYYLIGMPDK-CQSZACIVSA-N 1 0 331.416 2.680 10 10 EFCERO C[C@@H]([NH2+]CC1CCC(S(C)(=O)=O)CC1)c1cc(F)ccc1O ZINC000903155440 1312415251 /nfs/dbraw/zinc/41/52/51/1312415251.db2.gz XRVCPCFLNAENHX-LKSINWNRSA-N 1 0 329.437 2.785 10 10 EFCERO C[C@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)c1cc(Br)ccc1O ZINC000903215824 1312470501 /nfs/dbraw/zinc/47/05/01/1312470501.db2.gz PDZJTJSGNZVSRT-WDEREUQCSA-N 1 0 341.249 2.674 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CCN2C)c1O ZINC000903317453 1312565446 /nfs/dbraw/zinc/56/54/46/1312565446.db2.gz TYODKBHZAAXIGJ-KOLCDFICSA-N 1 0 329.238 2.518 10 10 EFCERO Cc1cc(Br)cc(C[NH+]2C[C@@H](C)C(O)[C@H](C)C2)c1O ZINC000827151485 1315601987 /nfs/dbraw/zinc/60/19/87/1315601987.db2.gz CHVDRXYOAAZILO-GHMZBOCLSA-N 1 0 328.250 2.912 10 10 EFCERO C[C@H]1CCCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC001256236229 1315921865 /nfs/dbraw/zinc/92/18/65/1315921865.db2.gz DRTUDYHVSUUDPI-MAUKXSAKSA-N 1 0 332.492 2.797 10 10 EFCERO CN(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000827544550 1315997858 /nfs/dbraw/zinc/99/78/58/1315997858.db2.gz FFNKVZILZCSYRU-INIZCTEOSA-N 1 0 327.428 2.733 10 10 EFCERO Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](N(C)C(=O)N(C)C)C2)c1O ZINC000827544798 1315998123 /nfs/dbraw/zinc/99/81/23/1315998123.db2.gz KXDWZZBAPPIOLZ-CQSZACIVSA-N 1 0 325.840 2.542 10 10 EFCERO CC[C@@H](CNC(=O)c1ccncc1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001318495559 1328618530 /nfs/dbraw/zinc/61/85/30/1328618530.db2.gz VGVYRKRKTOCPLV-KRWDZBQOSA-N 1 0 327.428 2.697 10 10 EFCERO COCCCC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001279069452 1316113430 /nfs/dbraw/zinc/11/34/30/1316113430.db2.gz OLLRSCCDPCWUAH-WMZOPIPTSA-N 1 0 348.487 2.614 10 10 EFCERO CC[C@@H](CNC(=O)c1oc(C)nc1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001318511252 1328625577 /nfs/dbraw/zinc/62/55/77/1328625577.db2.gz GWDXZRVIOCZOHH-INIZCTEOSA-N 1 0 345.443 2.907 10 10 EFCERO CC(C)(C)OC(=O)N1CCCC[C@@H]([NH2+]Cc2ccc(O)c(O)c2)C1 ZINC000382749348 1316556761 /nfs/dbraw/zinc/55/67/61/1316556761.db2.gz PLYAZQDSYRZCRE-CQSZACIVSA-N 1 0 336.432 2.977 10 10 EFCERO COc1ccc(C[NH2+]C2CC(CNC(=O)C(C)(F)F)C2)cc1C ZINC001264767292 1316669684 /nfs/dbraw/zinc/66/96/84/1316669684.db2.gz KRTKFLJLSXKZRS-UHFFFAOYSA-N 1 0 326.387 2.643 10 10 EFCERO COc1ccc(C[NH2+][C@H](CNC(=O)C2CC=CC2)C2CC2)cc1C ZINC001265350672 1316787714 /nfs/dbraw/zinc/78/77/14/1316787714.db2.gz VREBSPZPXXTOLM-GOSISDBHSA-N 1 0 328.456 2.954 10 10 EFCERO CC[C@H](C)C[NH2+][C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001265382851 1316793391 /nfs/dbraw/zinc/79/33/91/1316793391.db2.gz VXPJGMZVAQZSLR-BLLLJJGKSA-N 1 0 345.447 2.993 10 10 EFCERO COc1ccc(C[NH2+]C2CCC(NC(=O)COC(C)C)CC2)cc1C ZINC001265731037 1316867637 /nfs/dbraw/zinc/86/76/37/1316867637.db2.gz AMCZKXHXIKSQHL-UHFFFAOYSA-N 1 0 348.487 2.946 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2cn(C(C)C)cn2)cc1C ZINC001265804304 1316880209 /nfs/dbraw/zinc/88/02/09/1316880209.db2.gz JWGNNYFVNYMXSA-HNNXBMFYSA-N 1 0 344.459 2.689 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)C2CCC(OC)CC2)cc1C ZINC001265816290 1316882781 /nfs/dbraw/zinc/88/27/81/1316882781.db2.gz SJEHYCPJIYZDNM-ZLPCBKJTSA-N 1 0 348.487 2.803 10 10 EFCERO C[N@H+](CCCNC(=O)c1ccc(N=NC(N)=O)cc1)CC1CCC1 ZINC001265980922 1316936890 /nfs/dbraw/zinc/93/68/90/1316936890.db2.gz BIXGQMVSTJPRSL-UHFFFAOYSA-N 1 0 331.420 2.701 10 10 EFCERO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)CCC(F)F)C2)cc1C ZINC001265998751 1316944838 /nfs/dbraw/zinc/94/48/38/1316944838.db2.gz SKBJXIOJEDSRRZ-OAHLLOKOSA-N 1 0 340.414 2.987 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)CCC(F)F)C2)cc1C ZINC001265998750 1316944883 /nfs/dbraw/zinc/94/48/83/1316944883.db2.gz SKBJXIOJEDSRRZ-HNNXBMFYSA-N 1 0 340.414 2.987 10 10 EFCERO CC[C@@H](OC)C(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001279992111 1317431527 /nfs/dbraw/zinc/43/15/27/1317431527.db2.gz WUEDTDWYATXWIV-SJLPKXTDSA-N 1 0 348.487 2.757 10 10 EFCERO COc1ccc(C[NH2+]CC[C@H]2CCN(C(=O)c3cc[nH]c3)C2)cc1C ZINC001280050114 1317442153 /nfs/dbraw/zinc/44/21/53/1317442153.db2.gz BHSZNVYUDATQMZ-INIZCTEOSA-N 1 0 341.455 2.974 10 10 EFCERO CCCCC(=O)N1CCC[C@](CO)([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001281103904 1318014057 /nfs/dbraw/zinc/01/40/57/1318014057.db2.gz IJTSPUSGWGPLTR-FQEVSTJZSA-N 1 0 348.487 2.637 10 10 EFCERO COCCCCC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001281387211 1318248684 /nfs/dbraw/zinc/24/86/84/1318248684.db2.gz HXYVAKRBTHBQHA-AEFFLSMTSA-N 1 0 348.487 2.757 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2ccc(C)n2C)cc1C ZINC001282098479 1318725234 /nfs/dbraw/zinc/72/52/34/1318725234.db2.gz WSSFXMAMBOZKSZ-HOTGVXAUSA-N 1 0 343.471 2.947 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2[nH]c(C)nc2C)cc1C ZINC001282190647 1318774339 /nfs/dbraw/zinc/77/43/39/1318774339.db2.gz AYUNCWRIIXMWTD-STQMWFEESA-N 1 0 344.459 2.640 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CCn2cccc2)cc1C ZINC001282208132 1318781302 /nfs/dbraw/zinc/78/13/02/1318781302.db2.gz SABPKUAORLJHIW-IAGOWNOFSA-N 1 0 343.471 2.878 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@@H]2CCC2(F)F)cc1C ZINC001319202317 1328806847 /nfs/dbraw/zinc/80/68/47/1328806847.db2.gz OMVQMHYEGQTZDV-WFASDCNBSA-N 1 0 340.414 2.891 10 10 EFCERO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)[C@]2(C)CCOC2)cc1C ZINC001283258905 1319478839 /nfs/dbraw/zinc/47/88/39/1319478839.db2.gz CYSISMMZDQSNQP-OXJNMPFZSA-N 1 0 348.487 2.805 10 10 EFCERO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)[C@]2(C)CCOC2)cc1C ZINC001283258906 1319478903 /nfs/dbraw/zinc/47/89/03/1319478903.db2.gz CYSISMMZDQSNQP-OXQOHEQNSA-N 1 0 348.487 2.805 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C2CC2)N(C)C(=O)c2ccon2)cc1C ZINC001283482381 1319745793 /nfs/dbraw/zinc/74/57/93/1319745793.db2.gz KCXHZIDVIGVTOQ-KRWDZBQOSA-N 1 0 343.427 2.632 10 10 EFCERO COC[C@@H](C)C(=O)N1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C(C)(C)C1 ZINC001284275698 1320299291 /nfs/dbraw/zinc/29/92/91/1320299291.db2.gz KISSUJODAOQFNH-QAPCUYQASA-N 1 0 348.487 2.613 10 10 EFCERO COCCCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@H](C)C1 ZINC001319673706 1328947102 /nfs/dbraw/zinc/94/71/02/1328947102.db2.gz LZCNREKOATXTFS-SJLPKXTDSA-N 1 0 348.487 2.757 10 10 EFCERO O=C(Cc1ccc(O)c(O)c1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001290312537 1321897498 /nfs/dbraw/zinc/89/74/98/1321897498.db2.gz MOFDIVRGXCFKQD-QGZVFWFLSA-N 1 0 340.423 2.594 10 10 EFCERO Cc1nnc(N(C)Cc2ccccc2O)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001290719509 1321944618 /nfs/dbraw/zinc/94/46/18/1321944618.db2.gz VOXXVSYAEPOYJM-OAHLLOKOSA-N 1 0 343.475 2.660 10 10 EFCERO CC(C)(C)[NH+]1CCC(NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001291787774 1322011795 /nfs/dbraw/zinc/01/17/95/1322011795.db2.gz ATJXVSKQOOVAAC-UHFFFAOYSA-N 1 0 331.420 2.842 10 10 EFCERO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCc1ccc2c(c1)CCCN2C ZINC001292214479 1322044491 /nfs/dbraw/zinc/04/44/91/1322044491.db2.gz PQTMFTRQLXUHEF-IBGZPJMESA-N 1 0 329.488 2.806 10 10 EFCERO COc1ccc(C[NH2+][C@H](CNC(=O)C(=O)C(C)(C)C)C(C)C)cc1C ZINC001319907050 1329033206 /nfs/dbraw/zinc/03/32/06/1329033206.db2.gz PRFFPFKUEOLKKS-MRXNPFEDSA-N 1 0 348.487 2.849 10 10 EFCERO CN1CCN(c2ccc(C[N@@H+]3CCC[C@@H]4COCC[C@@H]43)cc2F)CC1 ZINC001319962016 1329044303 /nfs/dbraw/zinc/04/43/03/1329044303.db2.gz IADGKKCNDRIWGR-MJGOQNOKSA-N 1 0 347.478 2.578 10 10 EFCERO CN1CCN(c2ccc(C[N@@H+]3CCC[C@H]4COCC[C@@H]43)cc2F)CC1 ZINC001319962012 1329044934 /nfs/dbraw/zinc/04/49/34/1329044934.db2.gz IADGKKCNDRIWGR-HKUYNNGSSA-N 1 0 347.478 2.578 10 10 EFCERO CCc1n[nH]cc1C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001492047344 1324151799 /nfs/dbraw/zinc/15/17/99/1324151799.db2.gz YYNGIBMNNLTVRK-CQSZACIVSA-N 1 0 344.459 2.587 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2cc(F)c[nH]2)cc1C ZINC001492058776 1324164992 /nfs/dbraw/zinc/16/49/92/1324164992.db2.gz SHVAJULVEJRLIT-ZDUSSCGKSA-N 1 0 333.407 2.769 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC001301036954 1324519660 /nfs/dbraw/zinc/51/96/60/1324519660.db2.gz AKVDISLBFQRYIX-OAHLLOKOSA-N 1 0 343.431 2.986 10 10 EFCERO CC(C)(C[NH+]1CCOCC1)C(=O)NCc1c(O)ccc2ccccc21 ZINC001304090177 1324636907 /nfs/dbraw/zinc/63/69/07/1324636907.db2.gz BHTOYCRWGMDTEH-UHFFFAOYSA-N 1 0 342.439 2.520 10 10 EFCERO CCc1nnc(N(C)Cc2ccccc2O)n1CC[N@@H+]1CCC[C@@H]1C ZINC001306080336 1324697571 /nfs/dbraw/zinc/69/75/71/1324697571.db2.gz JWFRPMGXPHARJW-HNNXBMFYSA-N 1 0 343.475 2.667 10 10 EFCERO C/C(Cl)=C/C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000901286962 1324732309 /nfs/dbraw/zinc/73/23/09/1324732309.db2.gz MDIPTQMCRQXRPR-QINSGFPZSA-N 1 0 347.890 2.977 10 10 EFCERO CC[C@](O)(C[N@H+](C)CCN(C)c1ccc(OC)cc1)C(F)(F)F ZINC001307901804 1324784362 /nfs/dbraw/zinc/78/43/62/1324784362.db2.gz OPMAJUSRDIJJOL-HNNXBMFYSA-N 1 0 334.382 2.767 10 10 EFCERO Cc1cc(C[N@@H+]2CCOc3ccccc3[C@H]2CO)ccc1N(C)C ZINC001308105293 1324793653 /nfs/dbraw/zinc/79/36/53/1324793653.db2.gz KBFHALGFUUPGSB-LJQANCHMSA-N 1 0 326.440 2.989 10 10 EFCERO C[N@@H+](C/C=C\Cl)CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001316866998 1324994145 /nfs/dbraw/zinc/99/41/45/1324994145.db2.gz FSRGTAIFWJXNKG-SZDWEJORSA-N 1 0 337.811 2.653 10 10 EFCERO CC[N@@H+]1CC[C@@H]1CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001313202276 1325008735 /nfs/dbraw/zinc/00/87/35/1325008735.db2.gz BAAOYWWYXJLFNX-GOSISDBHSA-N 1 0 330.476 2.522 10 10 EFCERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2ccccn2)C2CC2)cc1C ZINC001317008746 1325479052 /nfs/dbraw/zinc/47/90/52/1325479052.db2.gz CDUZPGVQYYUBHF-SFHVURJKSA-N 1 0 339.439 2.697 10 10 EFCERO CC(C)C[NH2+][C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001317030504 1325495280 /nfs/dbraw/zinc/49/52/80/1325495280.db2.gz ABIHZMRTZYUDJM-OAHLLOKOSA-N 1 0 331.420 2.603 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CC3(OC)CCC3)C2)cc1C ZINC001317111195 1325582304 /nfs/dbraw/zinc/58/23/04/1325582304.db2.gz VIAJKJXWKWAJFK-CALCHBBNSA-N 1 0 346.471 2.700 10 10 EFCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)c2ncccc2C)cc1C ZINC001321015769 1329331508 /nfs/dbraw/zinc/33/15/08/1329331508.db2.gz YANJSDNSIINKFT-PLNGDYQASA-N 1 0 339.439 2.783 10 10 EFCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)c2cc[nH]c2C)cc1C ZINC001321013847 1329331644 /nfs/dbraw/zinc/33/16/44/1329331644.db2.gz PCZKOGZKROQEIR-PLNGDYQASA-N 1 0 327.428 2.716 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]CCCCCF)C2)cc1 ZINC001317129249 1327610236 /nfs/dbraw/zinc/61/02/36/1327610236.db2.gz WNKPCRLZSWKIOY-GASCZTMLSA-N 1 0 349.410 2.839 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2cc(C)nc(C)c2)cc1C ZINC001317243002 1327783466 /nfs/dbraw/zinc/78/34/66/1327783466.db2.gz WBZSYYVZJLYWHQ-INIZCTEOSA-N 1 0 341.455 2.924 10 10 EFCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)c2c[nH]cc2C)cc1C ZINC001321393511 1329381881 /nfs/dbraw/zinc/38/18/81/1329381881.db2.gz SMCIFXIUCXKIRN-SNAWJCMRSA-N 1 0 327.428 2.716 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)COC(C)(C)C)cc1C ZINC001317387243 1327943086 /nfs/dbraw/zinc/94/30/86/1327943086.db2.gz BZMPOQHQJLEXLP-HNNXBMFYSA-N 1 0 336.476 2.803 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2c(C)noc2C)cc1C ZINC001321455629 1329388281 /nfs/dbraw/zinc/38/82/81/1329388281.db2.gz SDHQKSRZXUVQHA-GFCCVEGCSA-N 1 0 331.416 2.517 10 10 EFCERO CC[C@H](F)C[N@H+](CC)CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001317492072 1328071225 /nfs/dbraw/zinc/07/12/25/1328071225.db2.gz HRMLQNSUMUKYTN-ZDUSSCGKSA-N 1 0 337.399 2.649 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2cc(C)nc(C)c2)cc1C ZINC001321861321 1329413424 /nfs/dbraw/zinc/41/34/24/1329413424.db2.gz YUNRNTFLRMSWDI-INIZCTEOSA-N 1 0 341.455 2.924 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2ccc(C)c(C)n2)cc1C ZINC001321926845 1329417139 /nfs/dbraw/zinc/41/71/39/1329417139.db2.gz PNZCJPIQMKEJAA-HNNXBMFYSA-N 1 0 341.455 2.924 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)Cc2ccco2)C2CC2)cc1C ZINC001323090788 1329510670 /nfs/dbraw/zinc/51/06/70/1329510670.db2.gz RFWTZTZGDGKWNW-GOSISDBHSA-N 1 0 342.439 2.824 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](NC(=O)Cc2ccco2)C2CC2)cc1C ZINC001323090789 1329510891 /nfs/dbraw/zinc/51/08/91/1329510891.db2.gz RFWTZTZGDGKWNW-SFHVURJKSA-N 1 0 342.439 2.824 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@H]3CC34CCC4)CC2)cc1C ZINC001323556186 1329551475 /nfs/dbraw/zinc/55/14/75/1329551475.db2.gz UPDJWRMPQCWBMB-MRXNPFEDSA-N 1 0 328.456 2.932 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)NCC2([NH2+]CC3CCC3)CC2)cc1 ZINC001323625047 1329555487 /nfs/dbraw/zinc/55/54/87/1329555487.db2.gz UMBYSRVTGGQHQU-UHFFFAOYSA-N 1 0 329.404 2.501 10 10 EFCERO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001327030806 1330401981 /nfs/dbraw/zinc/40/19/81/1330401981.db2.gz XQECPMVYNYQGCE-HKUYNNGSSA-N 1 0 335.467 2.625 10 10 EFCERO CCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001328373373 1330588808 /nfs/dbraw/zinc/58/88/08/1330588808.db2.gz JVESYRPLQVCAEQ-LPHOPBHVSA-N 1 0 345.487 2.655 10 10 EFCERO CCc1oncc1C(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001329135527 1330672545 /nfs/dbraw/zinc/67/25/45/1330672545.db2.gz YMCMCGWRJOKHJJ-UONOGXRCSA-N 1 0 345.443 2.851 10 10 EFCERO CC(C)CC[NH2+][C@@H](C)[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001329204366 1330680723 /nfs/dbraw/zinc/68/07/23/1330680723.db2.gz YXGNBYJOGZGFBA-STQMWFEESA-N 1 0 333.436 2.992 10 10 EFCERO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]Cc1nc2c(c(=O)[nH]1)COCC2 ZINC001329375460 1330699958 /nfs/dbraw/zinc/69/99/58/1330699958.db2.gz MUHIRVJYPWRZMZ-BXUZGUMPSA-N 1 0 341.411 2.607 10 10 EFCERO C[C@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)CC(F)F ZINC001329499658 1330712241 /nfs/dbraw/zinc/71/22/41/1330712241.db2.gz ZHQNONCROWELPX-ZDUSSCGKSA-N 1 0 329.410 2.958 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@H](OC)C2CCC2)cc1C ZINC001331514560 1330846589 /nfs/dbraw/zinc/84/65/89/1330846589.db2.gz BECZXXDNEUPPAZ-DNVCBOLYSA-N 1 0 348.487 2.755 10 10 EFCERO COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2cc(C)cc(OC)c2O)C1 ZINC001331566391 1330854369 /nfs/dbraw/zinc/85/43/69/1330854369.db2.gz PHAPKTPLPYJWOL-UONOGXRCSA-N 1 0 336.432 2.666 10 10 EFCERO c1cc(N2CCCC2)ccc1C[NH2+][C@H]1CCCN2CCSC[C@H]12 ZINC001332319474 1330957552 /nfs/dbraw/zinc/95/75/52/1330957552.db2.gz VAENQLMJZTWSFD-RBUKOAKNSA-N 1 0 331.529 2.956 10 10 EFCERO COC(=O)c1c(C[NH2+]CCCCCCO)c2cc(F)ccc2n1C ZINC001333705838 1331198146 /nfs/dbraw/zinc/19/81/46/1331198146.db2.gz VAGMHBWHWLZHPY-UHFFFAOYSA-N 1 0 336.407 2.746 10 10 EFCERO Cc1cc(O)c(C[N@@H+]2C[C@H](O)CC3(CCOCC3)C2)cc1Cl ZINC001338309331 1331689823 /nfs/dbraw/zinc/68/98/23/1331689823.db2.gz LIBRQJDPMURHHK-CQSZACIVSA-N 1 0 325.836 2.717 10 10 EFCERO CC[N@@H+]1CCCN(c2nnc(C3SC=CC3=O)n2CC2CC2)CC1 ZINC001345202903 1332520314 /nfs/dbraw/zinc/52/03/14/1332520314.db2.gz TWLIUKBEYXFMIL-UHFFFAOYSA-N 1 0 347.488 2.654 10 10 EFCERO O=C(NCc1cccc(O)c1O)[C@H]1CCCN1Cc1ccc(F)cc1 ZINC001348046757 1332795161 /nfs/dbraw/zinc/79/51/61/1332795161.db2.gz JVVYLSFXPYOHIT-MRXNPFEDSA-N 1 0 344.386 2.518 10 10 EFCERO C[C@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC001349837910 1333003531 /nfs/dbraw/zinc/00/35/31/1333003531.db2.gz DTBVLGAEIJPUPA-KURKYZTESA-N 1 0 331.504 2.874 10 10 EFCERO C[C@H]1CC[N@H+](CC(=O)N(Cc2ccco2)Cc2ccccc2O)C1 ZINC000847569774 1333924817 /nfs/dbraw/zinc/92/48/17/1333924817.db2.gz HTBVWQSFHYFQNZ-HNNXBMFYSA-N 1 0 328.412 2.856 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCOC2)c1O ZINC000848526537 1334775277 /nfs/dbraw/zinc/77/52/77/1334775277.db2.gz ATKYHNDVHMHOJT-VHSXEESVSA-N 1 0 330.222 2.850 10 10 EFCERO Cc1cc(C(O)=CONC(=[NH2+])[C@@H]2C[C@@H]2C)c(C)n1-c1ccc(F)cn1 ZINC000848517365 1334768858 /nfs/dbraw/zinc/76/88/58/1334768858.db2.gz DJPSIOUZCFIAIB-IINYFYTJSA-N 1 0 344.390 2.965 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](O)C(C)C)c1O ZINC000848530782 1334777252 /nfs/dbraw/zinc/77/72/52/1334777252.db2.gz KHRKDEMJFAMACO-BXKDBHETSA-N 1 0 332.238 2.831 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)CCCO)c1O ZINC000848532648 1334780177 /nfs/dbraw/zinc/78/01/77/1334780177.db2.gz KISQZCCFUOAZHB-ZJUUUORDSA-N 1 0 332.238 2.975 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+]CC(C)(C)CO)c1O ZINC000848536999 1334782781 /nfs/dbraw/zinc/78/27/81/1334782781.db2.gz ZGJDSTUDFNNTIH-SECBINFHSA-N 1 0 332.238 2.832 10 10 EFCERO CN(C)c1ccc(CN(C(=O)C23CCC[NH+]2CCC3)C2CC2)cc1 ZINC001355435606 1334782651 /nfs/dbraw/zinc/78/26/51/1334782651.db2.gz CRLXRIXEJJXJKP-UHFFFAOYSA-N 1 0 327.472 2.872 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)C(C)(C)O)c1O ZINC000848541658 1334785318 /nfs/dbraw/zinc/78/53/18/1334785318.db2.gz SJGZPYIURVQLMQ-IUCAKERBSA-N 1 0 332.238 2.973 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CC[C@@H](O)C2)c1O ZINC000848548206 1334787714 /nfs/dbraw/zinc/78/77/14/1334787714.db2.gz YEZVXJFAPQMGIG-HOSYDEDBSA-N 1 0 344.249 2.975 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+]CCC(C)(C)O)c1O ZINC000848546234 1334788283 /nfs/dbraw/zinc/78/82/83/1334788283.db2.gz VYHNSBGVELAYDM-VIFPVBQESA-N 1 0 332.238 2.975 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+]CCc2cn[nH]c2)c1O ZINC000848550576 1334790324 /nfs/dbraw/zinc/79/03/24/1334790324.db2.gz QSGGCARLHMGFJK-VIFPVBQESA-N 1 0 340.221 2.780 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](O)C2CCC2)c1O ZINC000848553592 1334792064 /nfs/dbraw/zinc/79/20/64/1334792064.db2.gz WKHVEUCMAAPKRS-TVQRCGJNSA-N 1 0 344.249 2.975 10 10 EFCERO CO[C@](C)(CO)C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000848559558 1334795062 /nfs/dbraw/zinc/79/50/62/1334795062.db2.gz FKABZETWDWSYBV-SFHVURJKSA-N 1 0 334.485 2.872 10 10 EFCERO CCc1cccc(CN2CCOC[C@@H]2c2c(C)nn(C)c2C)c1O ZINC000848911361 1334980341 /nfs/dbraw/zinc/98/03/41/1334980341.db2.gz UXOHIMWNVWGDBQ-QGZVFWFLSA-N 1 0 329.444 2.878 10 10 EFCERO CCc1cccc(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)c1O ZINC000848914131 1334983059 /nfs/dbraw/zinc/98/30/59/1334983059.db2.gz IVTPZZWZEHSXIK-HNNXBMFYSA-N 1 0 331.437 2.615 10 10 EFCERO Cc1cc(Cl)cc(C[NH2+]C[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000848923801 1334989104 /nfs/dbraw/zinc/98/91/04/1334989104.db2.gz PYWKGOUSEUEJQS-MELADBBJSA-N 1 0 326.868 2.941 10 10 EFCERO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)cc1 ZINC000848929924 1334994803 /nfs/dbraw/zinc/99/48/03/1334994803.db2.gz LLGXDUBXJFHBHN-LAEWNIMASA-N 1 0 343.515 2.953 10 10 EFCERO CCC[N@@H+]1CCC[C@@H](C(=O)C(=O)CC(C)(C)CC(=O)OCC)C1 ZINC000935943836 1335463900 /nfs/dbraw/zinc/46/39/00/1335463900.db2.gz FZILNYHNDKIAMH-CQSZACIVSA-N 1 0 325.449 2.616 10 10 EFCERO COc1ccc([C@@H]2CCNC[C@@H]2[NH2+]Cc2cc(C)ccc2O)cc1 ZINC000849350221 1335596528 /nfs/dbraw/zinc/59/65/28/1335596528.db2.gz VBRYHQCFOKCFBV-OALUTQOASA-N 1 0 326.440 2.945 10 10 EFCERO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCc2ccc3c(c2)CCO3)cc1 ZINC000849349616 1335596860 /nfs/dbraw/zinc/59/68/60/1335596860.db2.gz CTNDQOULUNRPNF-PMACEKPBSA-N 1 0 338.451 2.865 10 10 EFCERO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)c2cnsn2)cc1C ZINC001506911347 1406430969 /nfs/dbraw/zinc/43/09/69/1406430969.db2.gz HAAFWQHBNCLWTC-CYBMUJFWSA-N 1 0 348.472 2.543 10 10 EFCERO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)[C@H]2CCCOC2)cc1C ZINC001506913797 1406434060 /nfs/dbraw/zinc/43/40/60/1406434060.db2.gz JHVCYGMCSQZGMB-WMZOPIPTSA-N 1 0 348.487 2.805 10 10 EFCERO CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1CCn2ccnc2C1 ZINC001463815372 1396522959 /nfs/dbraw/zinc/52/29/59/1396522959.db2.gz ZLZQCLOCLLQVPX-KRWDZBQOSA-N 1 0 338.455 2.704 10 10 EFCERO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)Cc2ccc(O)c(O)c2)C1 ZINC001464212404 1396556558 /nfs/dbraw/zinc/55/65/58/1396556558.db2.gz CXUXXJSNQSLNAG-HUUCEWRRSA-N 1 0 334.460 2.515 10 10 EFCERO C[NH+](C)Cc1cccc(C(=O)NCc2ccc3cccnc3c2O)c1 ZINC001469251525 1397016068 /nfs/dbraw/zinc/01/60/68/1397016068.db2.gz XVTDVVDYXSWIQX-UHFFFAOYSA-N 1 0 335.407 2.932 10 10 EFCERO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@]3(C)CC3(C)C)cc2)CC1 ZINC001471190176 1397148787 /nfs/dbraw/zinc/14/87/87/1397148787.db2.gz FPFLKOLGGRAMCD-FQEVSTJZSA-N 1 0 344.503 2.674 10 10 EFCERO COCC1(C(=O)N2CC[C@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)CCC1 ZINC001480617940 1398250786 /nfs/dbraw/zinc/25/07/86/1398250786.db2.gz QNVMMWUYXGLJAP-KRWDZBQOSA-N 1 0 346.471 2.511 10 10 EFCERO COc1ccc(C[NH2+]C[C@@](C)(NC(=O)C(F)F)C2CC2)cc1C ZINC001495219325 1399744956 /nfs/dbraw/zinc/74/49/56/1399744956.db2.gz WRARTAMWLODNFA-QGZVFWFLSA-N 1 0 326.387 2.643 10 10 EFCERO COc1ccc(C[NH2+]CCC2CCN(C(=O)C(F)F)CC2)cc1C ZINC001495393135 1399937782 /nfs/dbraw/zinc/93/77/82/1399937782.db2.gz KIQODUIEFFOUMU-UHFFFAOYSA-N 1 0 340.414 2.987 10 10 EFCERO CCC[NH2+]C1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CCCC1 ZINC001495963446 1400386743 /nfs/dbraw/zinc/38/67/43/1400386743.db2.gz JMDPNMIPXRDEBP-UHFFFAOYSA-N 1 0 331.420 2.891 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2cncs2)cc1C ZINC001496016175 1400416680 /nfs/dbraw/zinc/41/66/80/1400416680.db2.gz YXTKYIPZNNYIQH-CYBMUJFWSA-N 1 0 333.457 2.710 10 10 EFCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)C[C@@H]2CCCOC2)cc1C ZINC001497324174 1401302541 /nfs/dbraw/zinc/30/25/41/1401302541.db2.gz RVBGGLZOMASESA-WMZOPIPTSA-N 1 0 348.487 2.805 10 10 EFCERO CCc1oncc1C(=O)N(CC)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001497460908 1401391422 /nfs/dbraw/zinc/39/14/22/1401391422.db2.gz QNQPBELKPVCVLG-UHFFFAOYSA-N 1 0 345.443 2.806 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](NC(=O)[C@H]2CCCO2)C(C)(C)C)cc1C ZINC001507874921 1407193073 /nfs/dbraw/zinc/19/30/73/1407193073.db2.gz LGAKVYCONWPQNL-MSOLQXFVSA-N 1 0 348.487 2.803 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2ccc(C)c(C)n2)cc1C ZINC001497856909 1401698070 /nfs/dbraw/zinc/69/80/70/1401698070.db2.gz PNZCJPIQMKEJAA-OAHLLOKOSA-N 1 0 341.455 2.924 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](NC(=O)c2conc2C)C2CC2)cc1C ZINC001498815396 1402310136 /nfs/dbraw/zinc/31/01/36/1402310136.db2.gz CCBLRGWDIDAALR-KRWDZBQOSA-N 1 0 343.427 2.598 10 10 EFCERO CCCC[NH2+]C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001498876786 1402352895 /nfs/dbraw/zinc/35/28/95/1402352895.db2.gz RUGJQCRLVVCNIB-OAHLLOKOSA-N 1 0 331.420 2.747 10 10 EFCERO CCO[C@H](C)C(=O)N(C)C1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001508097361 1407295462 /nfs/dbraw/zinc/29/54/62/1407295462.db2.gz MOFLEDORANYZPJ-ODIFPOPNSA-N 1 0 334.460 2.508 10 10 EFCERO CCOCCC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001501107617 1403442120 /nfs/dbraw/zinc/44/21/20/1403442120.db2.gz RKXXZCJOGBYZTB-FUHWJXTLSA-N 1 0 348.487 2.614 10 10 EFCERO CCOCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001501686467 1403718796 /nfs/dbraw/zinc/71/87/96/1403718796.db2.gz YBFXUYIATIEMSQ-SAABIXHNSA-N 1 0 348.487 2.805 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)C[C@H]3CCCO3)CCC2)cc1C ZINC001501916779 1403875462 /nfs/dbraw/zinc/87/54/62/1403875462.db2.gz KPVXBFNFDADIGR-QGZVFWFLSA-N 1 0 346.471 2.701 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3CCO[C@@H]3C)CCC2)cc1C ZINC001502012075 1403946903 /nfs/dbraw/zinc/94/69/03/1403946903.db2.gz UXNLPRNFVFKMMO-NVXWUHKLSA-N 1 0 346.471 2.557 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)Cc2cncs2)cc1C ZINC001505628872 1404871434 /nfs/dbraw/zinc/87/14/34/1404871434.db2.gz LCBXQMVIIKSIIH-KBPBESRZSA-N 1 0 347.484 2.686 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)Cc2ccco2)cc1C ZINC001505712933 1404970016 /nfs/dbraw/zinc/97/00/16/1404970016.db2.gz HIWNONUSYOUIRG-CABCVRRESA-N 1 0 330.428 2.822 10 10 EFCERO C[C@@H](F)CC[N@H+](C)[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001506067719 1405428736 /nfs/dbraw/zinc/42/87/36/1405428736.db2.gz TWUFRZDSHDOHHL-VXGBXAGGSA-N 1 0 337.399 2.647 10 10 EFCERO Cc1nnc(N(C)Cc2ccccc2O)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001511775145 1413130798 /nfs/dbraw/zinc/13/07/98/1413130798.db2.gz HXVFMRHHHSMHNE-QGZVFWFLSA-N 1 0 345.491 2.905 10 10 EFCERO CC[C@H](C)[N@H+](C)CCn1c(C)nnc1N(C)Cc1ccccc1O ZINC001513142359 1413609606 /nfs/dbraw/zinc/60/96/06/1413609606.db2.gz NJWSPXOQXDXKQI-AWEZNQCLSA-N 1 0 331.464 2.659 10 10 EFCERO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC001557063767 1415103640 /nfs/dbraw/zinc/10/36/40/1415103640.db2.gz YVDPAVRUJOBYSJ-CRAIPNDOSA-N 1 0 331.504 2.981 10 10 EFCERO C[NH+]1CCN(c2ccc(CNc3ccccc3[N+](=O)[O-])cc2)CC1 ZINC001559267631 1415234711 /nfs/dbraw/zinc/23/47/11/1415234711.db2.gz YEJVKEYAKMIYEF-UHFFFAOYSA-N 1 0 326.400 2.959 10 10 EFCERO c1cc2nsnc2c(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC001560291214 1415273842 /nfs/dbraw/zinc/27/38/42/1415273842.db2.gz HRZUPBPZYBSLNO-UHFFFAOYSA-N 1 0 340.452 2.818 10 10 EFCERO CN(C)c1ccc([C@H](CNC(=O)NCC2=CCCC2)[NH+](C)C)cc1 ZINC001565100876 1415389149 /nfs/dbraw/zinc/38/91/49/1415389149.db2.gz OPSLIMRPBVVAMY-SFHVURJKSA-N 1 0 330.476 2.765 10 10 EFCERO CC[C@H]1CCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H]1C ZINC001565273350 1415392584 /nfs/dbraw/zinc/39/25/84/1415392584.db2.gz VTRNLGVQZCBYFA-AEFFLSMTSA-N 1 0 344.503 2.768 10 10 EFCERO Cc1nccn1-c1cc[nH+]cc1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001565778340 1415415551 /nfs/dbraw/zinc/41/55/51/1415415551.db2.gz SSSJEGJUTMBYSF-UHFFFAOYSA-N 1 0 349.354 2.990 10 10 EFCERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2cc(F)c[nH]2)C2CC2)cc1C ZINC001566716170 1415744682 /nfs/dbraw/zinc/74/46/82/1415744682.db2.gz KBAURILEERMRKO-KRWDZBQOSA-N 1 0 345.418 2.769 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H](C)OCC3CC3)C2)cc1C ZINC001566831341 1415793164 /nfs/dbraw/zinc/79/31/64/1415793164.db2.gz PODTYIGQSVCNFA-OLMNPRSZSA-N 1 0 346.471 2.556 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)/C=C/c3ccc[nH]3)C2)cc1C ZINC001566836727 1415794569 /nfs/dbraw/zinc/79/45/69/1415794569.db2.gz QPCQDKAUQMUPRK-VEZGUZHXSA-N 1 0 339.439 2.782 10 10 EFCERO CC[C@H](C)[C@H](OC)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001566843734 1415796721 /nfs/dbraw/zinc/79/67/21/1415796721.db2.gz LMBRAAKHPVLKTI-KUZCPNRJSA-N 1 0 348.487 2.802 10 10 EFCERO CCOCC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001567157789 1415956645 /nfs/dbraw/zinc/95/66/45/1415956645.db2.gz TVUYCJQKMZNIHB-IAGOWNOFSA-N 1 0 334.460 2.557 10 10 EFCERO CCCOCC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001567160261 1415958740 /nfs/dbraw/zinc/95/87/40/1415958740.db2.gz UFGYTXFQJHIDDF-ZWKOTPCHSA-N 1 0 348.487 2.947 10 10 EFCERO C[C@@H](F)CC[NH2+][C@H](C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001567240821 1416007491 /nfs/dbraw/zinc/00/74/91/1416007491.db2.gz PKHWGSDPUGSZDO-VXGBXAGGSA-N 1 0 337.399 2.695 10 10 EFCERO CC1CC(C[N@H+](C)CCNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001567322083 1416072218 /nfs/dbraw/zinc/07/22/18/1416072218.db2.gz QQMQOXALADUBCA-UHFFFAOYSA-N 1 0 331.420 2.557 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)c2ccnn2C(C)C)cc1C ZINC001567501219 1416163222 /nfs/dbraw/zinc/16/32/22/1416163222.db2.gz REMIEHULMWOFBI-UHFFFAOYSA-N 1 0 344.459 2.643 10 10 EFCERO CN(C(=O)Cc1ccc(O)c(O)c1)C(C)(C)C[NH+]1CCCCCC1 ZINC001567827744 1416292077 /nfs/dbraw/zinc/29/20/77/1416292077.db2.gz UHJCUGOHPFTBQY-UHFFFAOYSA-N 1 0 334.460 2.753 10 10 EFCERO COc1ccc(C[NH2+]CC2(NC(=O)[C@@H]3CCOC3)CCCC2)cc1C ZINC001567994206 1416353626 /nfs/dbraw/zinc/35/36/26/1416353626.db2.gz QWALZGLMSGTLCM-QGZVFWFLSA-N 1 0 346.471 2.559 10 10 EFCERO CC(C)C[C@H](C[NH2+]CCF)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001568339525 1416482356 /nfs/dbraw/zinc/48/23/56/1416482356.db2.gz VUZFOBHQFCBYGD-CQSZACIVSA-N 1 0 337.399 2.553 10 10 EFCERO COc1ccc2c(c1)C[C@H](C(C)C)CN2C[C@@H](O)C[N@H+](C)C1CC1 ZINC001646305982 1416644515 /nfs/dbraw/zinc/64/45/15/1416644515.db2.gz GLTXUYMJWJBWOA-WMZOPIPTSA-N 1 0 332.488 2.785 10 10 EFCERO CN(C)c1ccc([C@H](CNC(=O)NC2CC3(CCC3)C2)[NH+](C)C)cc1 ZINC001683728162 1416683377 /nfs/dbraw/zinc/68/33/77/1416683377.db2.gz JMAYLCUOHCVPAO-SFHVURJKSA-N 1 0 344.503 2.987 10 10 EFCERO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NCc1cccc(Cl)c1O ZINC001683840609 1416686059 /nfs/dbraw/zinc/68/60/59/1416686059.db2.gz IMGJZUCBOOVBBI-ZDUSSCGKSA-N 1 0 339.867 2.965 10 10 EFCERO CN(C)c1ccc([C@H](CNC(=O)N[C@@]23C[C@@H]2CCCC3)[NH+](C)C)cc1 ZINC001684612295 1416724372 /nfs/dbraw/zinc/72/43/72/1416724372.db2.gz PXWSTYBXUSQWBY-QRFRQXIXSA-N 1 0 344.503 2.987 10 10 EFCERO C[C@@H]1CCCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC001685608587 1416768898 /nfs/dbraw/zinc/76/88/98/1416768898.db2.gz DRTUDYHVSUUDPI-CRAIPNDOSA-N 1 0 332.492 2.797 10 10 EFCERO C[C@@H]1CCC[C@H]1CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001686243356 1416793513 /nfs/dbraw/zinc/79/35/13/1416793513.db2.gz IVXAXZGHCLVKNY-AEFFLSMTSA-N 1 0 344.503 2.674 10 10 EFCERO C[C@H]1CCC[C@@H]1CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001686243357 1416793779 /nfs/dbraw/zinc/79/37/79/1416793779.db2.gz IVXAXZGHCLVKNY-FUHWJXTLSA-N 1 0 344.503 2.674 10 10 EFCERO CC[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001686826268 1416810361 /nfs/dbraw/zinc/81/03/61/1416810361.db2.gz FCXDUJXKIMBDAM-FUHWJXTLSA-N 1 0 346.519 2.728 10 10 EFCERO CC[C@@H]1C[N@H+](C)CCN1C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001686826269 1416810707 /nfs/dbraw/zinc/81/07/07/1416810707.db2.gz FCXDUJXKIMBDAM-SJLPKXTDSA-N 1 0 346.519 2.728 10 10 EFCERO CCC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC001686827019 1416810884 /nfs/dbraw/zinc/81/08/84/1416810884.db2.gz UZNWTNQRRZVPJZ-AEFFLSMTSA-N 1 0 346.519 2.776 10 10 EFCERO CC[C@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)C1CC1 ZINC001687080878 1416840954 /nfs/dbraw/zinc/84/09/54/1416840954.db2.gz LPSMFWDVUUBNSG-ZWKOTPCHSA-N 1 0 332.492 2.843 10 10 EFCERO CC[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)C1CC1 ZINC001687080877 1416840967 /nfs/dbraw/zinc/84/09/67/1416840967.db2.gz LPSMFWDVUUBNSG-ROUUACIJSA-N 1 0 332.492 2.843 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CCc3ccco3)C2)cc1C ZINC001690323793 1417190380 /nfs/dbraw/zinc/19/03/80/1417190380.db2.gz ZOZWBTDFLRRIIT-CALCHBBNSA-N 1 0 342.439 2.966 10 10 EFCERO COC[C@H](C)CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001690747681 1417237029 /nfs/dbraw/zinc/23/70/29/1417237029.db2.gz GLWYVWQOGLJGOT-CRAIPNDOSA-N 1 0 348.487 2.614 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2n[nH]c(C)c2C)cc1C ZINC001690836184 1417243629 /nfs/dbraw/zinc/24/36/29/1417243629.db2.gz XBVPWQIUMLLKIK-ZDUSSCGKSA-N 1 0 344.459 2.642 10 10 EFCERO CC(C)[NH2+]C1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CCCC1 ZINC001698804034 1417338171 /nfs/dbraw/zinc/33/81/71/1417338171.db2.gz RPUBATAMFKIFFE-UHFFFAOYSA-N 1 0 331.420 2.890 10 10 EFCERO CCCC[NH2+]C[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC001699971373 1417532169 /nfs/dbraw/zinc/53/21/69/1417532169.db2.gz SYABMMFZKJFGEH-HIFRSBDPSA-N 1 0 345.447 2.947 10 10 EFCERO COc1ccc(C[N@@H+]2CCC[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000154909992 1418265669 /nfs/dbraw/zinc/26/56/69/1418265669.db2.gz ZIUTUVIJLKFUQT-AWEZNQCLSA-N 1 0 336.432 2.890 10 10 EFCERO COC[C@H](C)C(=O)N1CCC[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001713228090 1418400216 /nfs/dbraw/zinc/40/02/16/1418400216.db2.gz KZLPWIWRMQMKES-FUHWJXTLSA-N 1 0 348.487 2.614 10 10 EFCERO COCCC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001713366927 1418494955 /nfs/dbraw/zinc/49/49/55/1418494955.db2.gz IFNASVQEEPZRHP-DLBZAZTESA-N 1 0 334.460 2.557 10 10 EFCERO CCc1nc(C(=O)NCC[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)co1 ZINC001713407134 1418511891 /nfs/dbraw/zinc/51/18/91/1418511891.db2.gz VGITWAHAKUUWIW-CQSZACIVSA-N 1 0 345.443 2.852 10 10 EFCERO COc1ccc(C(=O)NCC[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)o1 ZINC001713420990 1418517689 /nfs/dbraw/zinc/51/76/89/1418517689.db2.gz XRGVACOUKVVKCM-CQSZACIVSA-N 1 0 346.427 2.903 10 10 EFCERO COc1ccc(C[NH2+]CC2(NC(=O)c3cnco3)CCCC2)cc1C ZINC001714139241 1418583867 /nfs/dbraw/zinc/58/38/67/1418583867.db2.gz LRLFEXWUOFACOE-UHFFFAOYSA-N 1 0 343.427 2.824 10 10 EFCERO CC[C@@H](CNC(=O)Cc1cc(C)on1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001715059664 1418650134 /nfs/dbraw/zinc/65/01/34/1418650134.db2.gz WIVLYFJFBMUPQK-INIZCTEOSA-N 1 0 345.443 2.527 10 10 EFCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)c2nocc2C)cc1C ZINC001716185186 1418716323 /nfs/dbraw/zinc/71/63/23/1418716323.db2.gz OYXWADHICYCKRF-AWEZNQCLSA-N 1 0 331.416 2.598 10 10 EFCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)c2ncccc2F)cc1C ZINC001716356849 1418796660 /nfs/dbraw/zinc/79/66/60/1418796660.db2.gz BDNUTVMLUGLUNL-ONEGZZNKSA-N 1 0 343.402 2.614 10 10 EFCERO C[C@H](F)CC[N@H+](C)C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001716508031 1418902972 /nfs/dbraw/zinc/90/29/72/1418902972.db2.gz IGDCJXSJBMVDJF-RYUDHWBXSA-N 1 0 337.399 2.647 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)c3nc(C)oc3C)CC2)cc1C ZINC001716697876 1418960435 /nfs/dbraw/zinc/96/04/35/1418960435.db2.gz HWWHLWSNFSLUQP-UHFFFAOYSA-N 1 0 343.427 2.661 10 10 EFCERO COC[C@@H](C)C(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001717074337 1419189027 /nfs/dbraw/zinc/18/90/27/1419189027.db2.gz MZOCCGBIDDLKRJ-IAGOWNOFSA-N 1 0 348.487 2.614 10 10 EFCERO CC[C@H](F)C[NH2+]C1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CCC1 ZINC001717162849 1419244198 /nfs/dbraw/zinc/24/41/98/1419244198.db2.gz KFYAQLMBZGIRAC-ZDUSSCGKSA-N 1 0 349.410 2.839 10 10 EFCERO CC/C=C(\C)C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001717165631 1419244806 /nfs/dbraw/zinc/24/48/06/1419244806.db2.gz BHIGMHACWNZHNM-PRWGNSRSSA-N 1 0 346.471 2.677 10 10 EFCERO C[C@H](CN(C)C(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]C/C=C/Cl ZINC001717757220 1419537442 /nfs/dbraw/zinc/53/74/42/1419537442.db2.gz LYUABBPVGTWXNU-PTLDBEGOSA-N 1 0 337.811 2.652 10 10 EFCERO C[C@@H](CN(C)C(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]C/C=C\Cl ZINC001717757217 1419537556 /nfs/dbraw/zinc/53/75/56/1419537556.db2.gz LYUABBPVGTWXNU-AMYZHARFSA-N 1 0 337.811 2.652 10 10 EFCERO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CCCC(C)=O)[C@H]2C)cc1C ZINC001717787669 1419542113 /nfs/dbraw/zinc/54/21/13/1419542113.db2.gz KUCUASLZSRPKEM-FUHWJXTLSA-N 1 0 346.471 2.842 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](NC(=O)c2ccoc2)C2CC2)cc1C ZINC001723272440 1424457372 /nfs/dbraw/zinc/45/73/72/1424457372.db2.gz NGLBCAZLQRXVPC-KRWDZBQOSA-N 1 0 328.412 2.895 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)N[C@H]2C[C@H](C[NH2+]CCC3CC3)C2)cc1 ZINC001725367891 1425511195 /nfs/dbraw/zinc/51/11/95/1425511195.db2.gz BPDWVCIMXXJDHE-SAZUREKKSA-N 1 0 343.431 2.747 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C2CC2)N(C)C(=O)C(F)F)cc1C ZINC001725446718 1425586840 /nfs/dbraw/zinc/58/68/40/1425586840.db2.gz DNQVTGLUUHQLTC-AWEZNQCLSA-N 1 0 326.387 2.595 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C2(C(F)F)CC2)cc1C ZINC001725478731 1425608981 /nfs/dbraw/zinc/60/89/81/1425608981.db2.gz DURZYMAPHTWHIP-ZDUSSCGKSA-N 1 0 340.414 2.985 10 10 EFCERO CC[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1cc(Br)ccc1O ZINC000723570965 714663713 /nfs/dbraw/zinc/66/37/13/714663713.db2.gz NSYMFTHJNQHTJV-GWCFXTLKSA-N 1 0 341.249 2.674 10 10 EFCERO CC(C)COC1CC[NH+](CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000054324380 715716438 /nfs/dbraw/zinc/71/64/38/715716438.db2.gz WHVWFTLQXPUJTC-UHFFFAOYSA-N 1 0 347.503 2.506 10 10 EFCERO Cc1cc(O)c(C[NH2+]C[C@@](C)(O)C(=O)OC(C)(C)C)c(Cl)c1 ZINC000840939278 717874144 /nfs/dbraw/zinc/87/41/44/717874144.db2.gz KKZHAUWNSWLQBD-MRXNPFEDSA-N 1 0 329.824 2.536 10 10 EFCERO CCOc1ccc(O)c(CNc2ccc(N3CC[NH+](C)CC3)nc2)c1 ZINC000162899015 718366715 /nfs/dbraw/zinc/36/67/15/718366715.db2.gz BOVKEZXZAOIPRZ-UHFFFAOYSA-N 1 0 342.443 2.550 10 10 EFCERO COc1cc(C)cc(C[N@@H+]2CCC[C@H](Cn3nc(C)nc3C)C2)c1O ZINC000164383171 718414142 /nfs/dbraw/zinc/41/41/42/718414142.db2.gz AZYHWKPXRUMYKP-INIZCTEOSA-N 1 0 344.459 2.830 10 10 EFCERO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2ccccc2OC)c1 ZINC000182350004 720118923 /nfs/dbraw/zinc/11/89/23/720118923.db2.gz KDHUBQUIWCDQSM-LBPRGKRZSA-N 1 0 330.384 2.699 10 10 EFCERO COC[C@H]1CC[N@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)OC)C1 ZINC000894018976 720221246 /nfs/dbraw/zinc/22/12/46/720221246.db2.gz DEMNAOSHUIPSFP-LBPRGKRZSA-N 1 0 334.391 2.572 10 10 EFCERO COC(=O)c1c(C[NH2+]C[C@H](O)c2ccco2)c2cc(F)ccc2n1C ZINC000894166926 721046687 /nfs/dbraw/zinc/04/66/87/721046687.db2.gz WLXIJGURFGBJIN-HNNXBMFYSA-N 1 0 346.358 2.520 10 10 EFCERO COC(=O)c1c(C[NH2+]C[C@]2(C)CCCO2)c2cc(F)ccc2n1C ZINC000894347229 722154827 /nfs/dbraw/zinc/15/48/27/722154827.db2.gz HUIRBANHOSQJGR-SFHVURJKSA-N 1 0 334.391 2.763 10 10 EFCERO C/C=C/C[C@H](CO)[NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894479749 722752238 /nfs/dbraw/zinc/75/22/38/722752238.db2.gz KDWDJHCGOPCBMH-MUBLQREKSA-N 1 0 334.391 2.521 10 10 EFCERO COc1cc(C)cc(C[NH2+]C/C=C/CNC(=O)OC(C)(C)C)c1O ZINC000894597260 722793914 /nfs/dbraw/zinc/79/39/14/722793914.db2.gz JRCUXQBBQBSBQJ-VOTSOKGWSA-N 1 0 336.432 2.880 10 10 EFCERO [O-]c1c(F)cc(F)cc1C[N@@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000894881457 722937441 /nfs/dbraw/zinc/93/74/41/722937441.db2.gz PHPDZLXOOVMZQF-YJBOKZPZSA-N 1 0 337.341 2.970 10 10 EFCERO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894881364 722937531 /nfs/dbraw/zinc/93/75/31/722937531.db2.gz OQGUHXHKTUEPIX-MLGOLLRUSA-N 1 0 348.418 2.697 10 10 EFCERO COC(=O)c1c(C[N@@H+]2CC[C@@H](CCCO)C2)c2cc(F)ccc2n1C ZINC000894961424 723035806 /nfs/dbraw/zinc/03/58/06/723035806.db2.gz ZYXYVVGRYUHBPD-CYBMUJFWSA-N 1 0 348.418 2.698 10 10 EFCERO CN(CC1CC[NH+](C)CC1)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896163988 723164555 /nfs/dbraw/zinc/16/45/55/723164555.db2.gz MKRLZQRPJDQTHS-UHFFFAOYSA-N 1 0 334.441 2.726 10 10 EFCERO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896633699 723414651 /nfs/dbraw/zinc/41/46/51/723414651.db2.gz KIOPXIYKIFTQNO-ZYHUDNBSSA-N 1 0 334.441 2.725 10 10 EFCERO COC(=O)c1cc(C[NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)cs1 ZINC000895229137 723891300 /nfs/dbraw/zinc/89/13/00/723891300.db2.gz SCVXQUOKHYRWIE-CQSZACIVSA-N 1 0 346.452 2.912 10 10 EFCERO COc1ccc(N2CCN(CCC[NH2+][C@H](C)[C@H]3C[C@@H]3C)CC2)cc1 ZINC000840710053 723900564 /nfs/dbraw/zinc/90/05/64/723900564.db2.gz HRFMIIIFNNSFHE-QKLQHJQFSA-N 1 0 331.504 2.841 10 10 EFCERO COC(=O)c1ccc(C[NH2+]Cc2cc(C)cc(OC)c2O)c(F)c1 ZINC000895326123 724034471 /nfs/dbraw/zinc/03/44/71/724034471.db2.gz AIQKDJQRTWWCSM-UHFFFAOYSA-N 1 0 333.359 2.925 10 10 EFCERO COC(=O)c1c(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)c2cc(F)ccc2n1C ZINC000895404377 724126534 /nfs/dbraw/zinc/12/65/34/724126534.db2.gz FJEPMSSVHQNADC-CXAGYDPISA-N 1 0 346.402 2.761 10 10 EFCERO COC(=O)c1c(C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)c2cc(F)ccc2n1C ZINC000895440130 724134767 /nfs/dbraw/zinc/13/47/67/724134767.db2.gz OOXIOBCVLOZTPL-ZIBATOQPSA-N 1 0 334.391 2.760 10 10 EFCERO CCc1cccc(C[NH2+][C@@]2(CO)CCc3c2cccc3OC)c1O ZINC000895633701 724227942 /nfs/dbraw/zinc/22/79/42/724227942.db2.gz GSCBYVPQKBEQHX-HXUWFJFHSA-N 1 0 327.424 2.887 10 10 EFCERO COc1cccc(CN2CC[NH+](CCCOC(C)(C)C)CC2)c1O ZINC000895644965 724241213 /nfs/dbraw/zinc/24/12/13/724241213.db2.gz JBQCTCHYIPTAGT-UHFFFAOYSA-N 1 0 336.476 2.724 10 10 EFCERO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc2cc(O)c(O)cc2s1 ZINC000895756444 724300582 /nfs/dbraw/zinc/30/05/82/724300582.db2.gz XAZWIOQGRQAUOQ-VXGBXAGGSA-N 1 0 332.425 2.669 10 10 EFCERO COc1ccc(O)c(C[NH2+]CC[C@H]2CCC3(CCOCC3)CO2)c1 ZINC000895799221 724322769 /nfs/dbraw/zinc/32/27/69/724322769.db2.gz OQMDLJVWEIEDFM-MRXNPFEDSA-N 1 0 335.444 2.856 10 10 EFCERO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)C3)O2)c1O ZINC000895818517 724330980 /nfs/dbraw/zinc/33/09/80/724330980.db2.gz DJAIORHDDFKEFP-WHCBVINPSA-N 1 0 341.835 2.870 10 10 EFCERO CCCN(CCC)c1ccc(C[NH2+]C2(C(=O)NC)CCOCC2)cc1 ZINC000895884498 724369101 /nfs/dbraw/zinc/36/91/01/724369101.db2.gz PEEBUMSPMGPHMZ-UHFFFAOYSA-N 1 0 347.503 2.698 10 10 EFCERO CN(C)c1ccc(CNC(=O)NC2CCC(C)([NH+]3CCC3)CC2)cc1 ZINC000913927071 725953451 /nfs/dbraw/zinc/95/34/51/725953451.db2.gz UCDZUYFSEZGLGL-UHFFFAOYSA-N 1 0 344.503 2.959 10 10 EFCERO C[C@H]1CCC[N@H+](CCCCNC(=O)NCc2c(O)cccc2F)C1 ZINC000914100242 726040380 /nfs/dbraw/zinc/04/03/80/726040380.db2.gz VTZUPYMXURQKBZ-AWEZNQCLSA-N 1 0 337.439 2.843 10 10 EFCERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCc1c(O)cccc1F ZINC000914299047 726221611 /nfs/dbraw/zinc/22/16/11/726221611.db2.gz LBWJMUQWQHFMQE-OAHLLOKOSA-N 1 0 345.418 2.503 10 10 EFCERO Cc1ccc(C(=O)NC2CCC3(CC2)CC[NH+](C)CC3)c(O)c1O ZINC000908496983 727196461 /nfs/dbraw/zinc/19/64/61/727196461.db2.gz WJNXQJLPMADDLO-UHFFFAOYSA-N 1 0 332.444 2.791 10 10 EFCERO O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1[O-] ZINC000841085721 727210900 /nfs/dbraw/zinc/21/09/00/727210900.db2.gz BNIVYZANOSPJSL-FZMZJTMJSA-N 1 0 339.823 2.918 10 10 EFCERO CC[N@@H+]1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)[C@H](C)C1 ZINC000910266325 727425089 /nfs/dbraw/zinc/42/50/89/727425089.db2.gz LRNXYTJPGFOZIU-LLVKDONJSA-N 1 0 334.441 2.869 10 10 EFCERO COc1ccc(N2CCN(CC[NH2+][C@H](C)C3(Cl)CC3)CC2)cc1 ZINC000924830518 727438372 /nfs/dbraw/zinc/43/83/72/727438372.db2.gz BESPZCFSDREFHC-OAHLLOKOSA-N 1 0 337.895 2.567 10 10 EFCERO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911632187 727574734 /nfs/dbraw/zinc/57/47/34/727574734.db2.gz BOQMLPQXDNIMLE-QXAKKESOSA-N 1 0 327.472 2.776 10 10 EFCERO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000912293433 727689130 /nfs/dbraw/zinc/68/91/30/727689130.db2.gz WUTAJYVYFJVTLO-IAGOWNOFSA-N 1 0 345.487 2.512 10 10 EFCERO COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@@]3(CCOC3)C2)c1O ZINC000151313126 727828271 /nfs/dbraw/zinc/82/82/71/727828271.db2.gz KMRUVFOCNCLBJV-HXUWFJFHSA-N 1 0 341.407 2.944 10 10 EFCERO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCC[NH+]1CCC(C)CC1 ZINC000054779539 727878158 /nfs/dbraw/zinc/87/81/58/727878158.db2.gz SAAROHPJPQAEGI-UHFFFAOYSA-N 1 0 340.427 2.712 10 10 EFCERO COc1cc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)c(O)c(C(C)(C)C)c1 ZINC000164410768 727944393 /nfs/dbraw/zinc/94/43/93/727944393.db2.gz SKGDCVMRLPQGTR-INIZCTEOSA-N 1 0 348.487 2.605 10 10 EFCERO CCN(CC)c1ccc(CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000171646279 728546915 /nfs/dbraw/zinc/54/69/15/728546915.db2.gz ULVHHYMGRISRDM-IBGZPJMESA-N 1 0 344.503 2.913 10 10 EFCERO CCN(CC)c1ccc(CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000171646272 728546923 /nfs/dbraw/zinc/54/69/23/728546923.db2.gz ULVHHYMGRISRDM-LJQANCHMSA-N 1 0 344.503 2.913 10 10 EFCERO CCN(CC)c1ccc(CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1F ZINC000171908115 728558538 /nfs/dbraw/zinc/55/85/38/728558538.db2.gz YWCQKASNMAHNRT-INIZCTEOSA-N 1 0 348.466 2.662 10 10 EFCERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000063737443 728643489 /nfs/dbraw/zinc/64/34/89/728643489.db2.gz QIUSEVHMLGQSLJ-HNNXBMFYSA-N 1 0 328.460 2.949 10 10 EFCERO CN(C)c1ccc(CN(C(=O)N[C@H]2CCC[N@H+](C)C2)C2CC2)cc1 ZINC000919657241 729063779 /nfs/dbraw/zinc/06/37/79/729063779.db2.gz IHFTYEFPBXTRSZ-INIZCTEOSA-N 1 0 330.476 2.521 10 10 EFCERO O=C(NCc1c(O)cccc1F)NC1CC[NH+](C2CCCC2)CC1 ZINC000921324491 729293329 /nfs/dbraw/zinc/29/33/29/729293329.db2.gz AOVNDZJCVRCZFD-UHFFFAOYSA-N 1 0 335.423 2.738 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)C3(C)CCOCC3)CC2)cc1C ZINC001569423104 1085195915 /nfs/dbraw/zinc/19/59/15/1085195915.db2.gz JEWIXAZBIDWKIJ-UHFFFAOYSA-N 1 0 346.471 2.559 10 10 EFCERO CCCC[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001569567022 1085383194 /nfs/dbraw/zinc/38/31/94/1085383194.db2.gz RHQYXYBNUNHRNH-HNNXBMFYSA-N 1 0 331.420 2.843 10 10 EFCERO COc1ccc(C[NH2+]C[C@@]2(C)CCN(C(=O)C[C@@H](C)OC)C2)cc1C ZINC001569662330 1085495122 /nfs/dbraw/zinc/49/51/22/1085495122.db2.gz RQXDURQUZOHGNB-OXQOHEQNSA-N 1 0 348.487 2.757 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)COC(C)C)C2)cc1C ZINC001569807263 1085625493 /nfs/dbraw/zinc/62/54/93/1085625493.db2.gz VVPDZJFPBLWGTF-WMZOPIPTSA-N 1 0 348.487 2.755 10 10 EFCERO CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001569829361 1085651935 /nfs/dbraw/zinc/65/19/35/1085651935.db2.gz XRJVIYYLJXTEDE-JSGCOSHPSA-N 1 0 331.420 2.699 10 10 EFCERO COc1ccc(C[NH2+]CC[C@@H]2CCN(C(=O)[C@@H]3CCCO3)C2)cc1C ZINC001569962953 1085790132 /nfs/dbraw/zinc/79/01/32/1085790132.db2.gz SFHXRJXUEHGYQT-APWZRJJASA-N 1 0 346.471 2.511 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2nc(C)oc2C)cc1C ZINC001570641006 1086429220 /nfs/dbraw/zinc/42/92/20/1086429220.db2.gz IATZKCCSMQTFSY-QWHCGFSZSA-N 1 0 345.443 2.905 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2cccnc2C)cc1C ZINC001571402967 1086788539 /nfs/dbraw/zinc/78/85/39/1086788539.db2.gz HVUMFWREQFTFRH-HNNXBMFYSA-N 1 0 341.455 2.957 10 10 EFCERO COCCCCC(=O)N1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@H]1C ZINC001571473504 1086853241 /nfs/dbraw/zinc/85/32/41/1086853241.db2.gz RJGBZMZYEZNZFP-SJLPKXTDSA-N 1 0 348.487 2.899 10 10 EFCERO CC(C)(C)[C@H](C[NH2+]CC1CC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001571639748 1087011224 /nfs/dbraw/zinc/01/12/24/1087011224.db2.gz VWZNTSRTSRQWDM-HNNXBMFYSA-N 1 0 345.447 2.993 10 10 EFCERO COc1ccc([C@@H]2C[N@H+](Cc3ccc(N(C)C)cc3)CCN2)cc1 ZINC001648070604 1089936765 /nfs/dbraw/zinc/93/67/65/1089936765.db2.gz VPXGPBNOMHNCRJ-FQEVSTJZSA-N 1 0 325.456 2.908 10 10 EFCERO c1nc2ccccc2n1CC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC001620749878 1091351548 /nfs/dbraw/zinc/35/15/48/1091351548.db2.gz UOKLIZAGYXQGPV-UHFFFAOYSA-N 1 0 336.439 2.663 10 10 EFCERO Cc1cc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)ccc1F ZINC001583475116 1092011062 /nfs/dbraw/zinc/01/10/62/1092011062.db2.gz AMAYFUPAJZODOE-UHFFFAOYSA-N 1 0 341.430 2.816 10 10 EFCERO CC[C@H](C(=O)N(C)CCN(C)c1ccc(OC)cc1)[NH+](CC)CC ZINC001583621091 1092050688 /nfs/dbraw/zinc/05/06/88/1092050688.db2.gz BIUCGKYRCDSKFL-GOSISDBHSA-N 1 0 335.492 2.710 10 10 EFCERO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H](C)OCC3CC3)C2)cc1C ZINC001267005657 1092307152 /nfs/dbraw/zinc/30/71/52/1092307152.db2.gz PHUIQNACBUISLU-YJBOKZPZSA-N 1 0 346.471 2.509 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)C[C@@H](C)[C@@H]2CCCO2)cc1C ZINC001267013999 1092346501 /nfs/dbraw/zinc/34/65/01/1092346501.db2.gz KPXQIFSJGGXHSN-APWZRJJASA-N 1 0 348.487 2.757 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2ccncc2)cc1C ZINC001267118597 1092805442 /nfs/dbraw/zinc/80/54/42/1092805442.db2.gz NULOSENXOIEFEP-OAHLLOKOSA-N 1 0 327.428 2.697 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@@H]2CC2(F)F)cc1C ZINC001267125428 1092833088 /nfs/dbraw/zinc/83/30/88/1092833088.db2.gz HIVYAAGAICCKRU-JSGCOSHPSA-N 1 0 326.387 2.643 10 10 EFCERO C[C@H](NC(=O)[C@H]1CCN(c2cc[nH+]cc2)C1)c1ccc(N(C)C)cc1 ZINC001650952292 1093512858 /nfs/dbraw/zinc/51/28/58/1093512858.db2.gz CDFYPKFDERVPHV-RDJZCZTQSA-N 1 0 338.455 2.851 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2CCC[C@H]3C[C@H]32)cc1C ZINC001267396376 1094479437 /nfs/dbraw/zinc/47/94/37/1094479437.db2.gz TXDKYJJTQCJWLY-RCCFBDPRSA-N 1 0 330.472 2.988 10 10 EFCERO CN1CCCc2cc(CNC(=O)C3C[NH+](C4CCCCC4)C3)ccc21 ZINC001597848796 1094631904 /nfs/dbraw/zinc/63/19/04/1094631904.db2.gz MVLSLOBCZMSDPO-UHFFFAOYSA-N 1 0 341.499 2.950 10 10 EFCERO COc1ccc2c(c1)c1c(n2CC(=O)NC[C@@H](C)[NH+](C)C)CCCC1 ZINC001598332608 1094671459 /nfs/dbraw/zinc/67/14/59/1094671459.db2.gz VNTRTCGIHZFSIE-CQSZACIVSA-N 1 0 343.471 2.595 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)cc1C ZINC001481219020 1095745460 /nfs/dbraw/zinc/74/54/60/1095745460.db2.gz ZCHIUUFELQNQIP-DZFIZOCASA-N 1 0 330.472 2.988 10 10 EFCERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2conc2C)C(C)C)cc1C ZINC001268217368 1096120674 /nfs/dbraw/zinc/12/06/74/1096120674.db2.gz VOTUOIDQCCZECS-KRWDZBQOSA-N 1 0 345.443 2.844 10 10 EFCERO Cc1ccc(O)c(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC001603554523 1096551798 /nfs/dbraw/zinc/55/17/98/1096551798.db2.gz FZJRBZGSNPDFLR-SFHVURJKSA-N 1 0 341.455 2.799 10 10 EFCERO CC[C@H](CNC(=O)c1cccn1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001481791479 1096698307 /nfs/dbraw/zinc/69/83/07/1096698307.db2.gz WGCWBCPZZDBQKL-MRXNPFEDSA-N 1 0 329.444 2.640 10 10 EFCERO CC[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CC1CC(C)C1 ZINC001481881184 1096850949 /nfs/dbraw/zinc/85/09/49/1096850949.db2.gz FHUJDVMDPBISFH-SSDMNJCBSA-N 1 0 345.447 2.993 10 10 EFCERO COCCC(=O)NC1(C[NH2+]Cc2ccc(OC)c(C)c2)CCCC1 ZINC001481888505 1096866361 /nfs/dbraw/zinc/86/63/61/1096866361.db2.gz WANRSRLZRQNTMK-UHFFFAOYSA-N 1 0 334.460 2.559 10 10 EFCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)c2cccc(C)n2)cc1C ZINC001268508388 1097078809 /nfs/dbraw/zinc/07/88/09/1097078809.db2.gz AEVXACYVFLXIES-SNAWJCMRSA-N 1 0 339.439 2.783 10 10 EFCERO COCCC(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CCCC1 ZINC001482210472 1097966387 /nfs/dbraw/zinc/96/63/87/1097966387.db2.gz VGJINDCOMOWJNL-UHFFFAOYSA-N 1 0 334.460 2.559 10 10 EFCERO CC[C@H](CNC(=O)Cc1ccoc1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001269398727 1098112914 /nfs/dbraw/zinc/11/29/14/1098112914.db2.gz UECZABSXLNUYPE-QGZVFWFLSA-N 1 0 330.428 2.824 10 10 EFCERO COc1ccc(C[NH2+]C[C@](C)(NC(=O)c2cocn2)C2CC2)cc1C ZINC001269605053 1098285726 /nfs/dbraw/zinc/28/57/26/1098285726.db2.gz FHJSRBKUQOJXRR-IBGZPJMESA-N 1 0 343.427 2.680 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2ccc(C)nc2)cc1C ZINC001267977008 1099053691 /nfs/dbraw/zinc/05/36/91/1099053691.db2.gz DGULRCIIYBXBCU-AWEZNQCLSA-N 1 0 341.455 2.863 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)C2CC(F)(F)C2)cc1C ZINC001267983640 1099072608 /nfs/dbraw/zinc/07/26/08/1099072608.db2.gz KKWNKSQCWFTZSY-LBPRGKRZSA-N 1 0 340.414 2.891 10 10 EFCERO CCc1nnc(N(C)Cc2ccccc2O)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001613923609 1099112060 /nfs/dbraw/zinc/11/20/60/1099112060.db2.gz XVYZGFLAPCZEKJ-CQSZACIVSA-N 1 0 343.475 2.665 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)c2ncoc2C(C)C)cc1C ZINC001481301096 1099135401 /nfs/dbraw/zinc/13/54/01/1099135401.db2.gz FMKIDEGHNWYGLR-UHFFFAOYSA-N 1 0 345.443 2.977 10 10 EFCERO CCC[N@@H+]1CCC[C@H]1Cn1c(C)nnc1N(C)Cc1ccccc1O ZINC001614885819 1099145559 /nfs/dbraw/zinc/14/55/59/1099145559.db2.gz OBPQICZGLLPFNR-KRWDZBQOSA-N 1 0 343.475 2.803 10 10 EFCERO CCc1n[nH]cc1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001482303781 1099295422 /nfs/dbraw/zinc/29/54/22/1099295422.db2.gz JQMCHDIDPXEJGH-AWEZNQCLSA-N 1 0 344.459 2.539 10 10 EFCERO CC[C@@H](CNC(=O)[C@@H]1CCO[C@H]1CC)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267812651 1099377921 /nfs/dbraw/zinc/37/79/21/1099377921.db2.gz DFAFFJUIYBOEDV-KSZLIROESA-N 1 0 348.487 2.803 10 10 EFCERO CN(Cc1ccc(N2CCCC2)cc1)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC001623549939 1099600330 /nfs/dbraw/zinc/60/03/30/1099600330.db2.gz NPWLRKVQRSRUDT-GOSISDBHSA-N 1 0 347.528 2.683 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2cccn2C)cc1C ZINC001270896270 1100149268 /nfs/dbraw/zinc/14/92/68/1100149268.db2.gz QBBGVQSHGHLALJ-OAHLLOKOSA-N 1 0 329.444 2.592 10 10 EFCERO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCCOCC[NH+](C)C ZINC001633033739 1100517359 /nfs/dbraw/zinc/51/73/59/1100517359.db2.gz HBJWEWLLTZFAGH-UHFFFAOYSA-N 1 0 343.471 2.711 10 10 EFCERO CCOC(=O)CC(C)(C)CC(=O)C(=O)C1CC[NH+](CC(C)C)CC1 ZINC001634943884 1100637270 /nfs/dbraw/zinc/63/72/70/1100637270.db2.gz GTARIWBCEJBMPY-UHFFFAOYSA-N 1 0 339.476 2.862 10 10 EFCERO Cc1cc(C(=O)CN2CCC[C@H]2CO)c(C)n1-c1ccc(F)cc1 ZINC000749845126 1100844225 /nfs/dbraw/zinc/84/42/25/1100844225.db2.gz PBCPNGBIUDOVOG-KRWDZBQOSA-N 1 0 330.403 2.873 10 10 EFCERO CN(C)c1ccc([C@@H](CNC(=O)N2CCCCCC2)[NH+](C)C)cc1 ZINC001638918196 1100898338 /nfs/dbraw/zinc/89/83/38/1100898338.db2.gz RPYMWWHKZJNJCS-GOSISDBHSA-N 1 0 332.492 2.941 10 10 EFCERO C[NH+](C)Cc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)c(F)c1 ZINC001639071052 1100910071 /nfs/dbraw/zinc/91/00/71/1100910071.db2.gz OJTJJEHVZNJRFU-YVMONPNESA-N 1 0 330.359 2.950 10 10 EFCERO C[NH+](C)[C@H]1C[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1(C)C ZINC001639795993 1100984789 /nfs/dbraw/zinc/98/47/89/1100984789.db2.gz IIERWPHFVIYJBV-GJZGRUSLSA-N 1 0 334.441 2.771 10 10 EFCERO C[NH+](C)C1(C(=O)NCc2cccc(Br)c2O)CCCC1 ZINC001640088707 1101012315 /nfs/dbraw/zinc/01/23/15/1101012315.db2.gz UFYJZBYFLLEXMU-UHFFFAOYSA-N 1 0 341.249 2.645 10 10 EFCERO COC(=O)COc1ccc(N(C)C[C@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001642689740 1101232372 /nfs/dbraw/zinc/23/23/72/1101232372.db2.gz UMFCJNJIZHJDLP-QGZVFWFLSA-N 1 0 334.460 2.938 10 10 EFCERO CC1CC[NH+](CC[C@H]2CCCN2C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001642758529 1101239114 /nfs/dbraw/zinc/23/91/14/1101239114.db2.gz OEADDITXGVKIBO-QGZVFWFLSA-N 1 0 346.471 2.753 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CCCO2)c1O ZINC000848512977 1101464810 /nfs/dbraw/zinc/46/48/10/1101464810.db2.gz BPSJYKNQIRCNSI-MWLCHTKSSA-N 1 0 330.222 2.993 10 10 EFCERO COc1ccc(N2CC[NH+](C[C@@H](O)c3cccc(C)c3)CC2)cc1F ZINC001652873759 1101560802 /nfs/dbraw/zinc/56/08/02/1101560802.db2.gz LGQDHYQBINOEAG-LJQANCHMSA-N 1 0 344.430 2.998 10 10 EFCERO c1c(CC[NH2+]Cc2ccc(N3CCOCC3)cc2)nc2ccccn12 ZINC000069676564 1101725316 /nfs/dbraw/zinc/72/53/16/1101725316.db2.gz PCXMGFLCDPUXJU-UHFFFAOYSA-N 1 0 336.439 2.503 10 10 EFCERO c1ccc(CN2CCO[C@H](C[NH2+]Cc3ccc4c(c3)CCO4)C2)cc1 ZINC000077324591 1103198879 /nfs/dbraw/zinc/19/88/79/1103198879.db2.gz FDEVEUZQZHONPK-HXUWFJFHSA-N 1 0 338.451 2.612 10 10 EFCERO COCCC1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)CC1 ZINC001661610002 1103337285 /nfs/dbraw/zinc/33/72/85/1103337285.db2.gz DYLXIWSOSZTQFK-CALCHBBNSA-N 1 0 346.471 2.557 10 10 EFCERO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H](Cc3nccs3)C1)[C@@H](O)CO2 ZINC000905732952 1103567843 /nfs/dbraw/zinc/56/78/43/1103567843.db2.gz CUXGOMPBVXWTHL-LRDDRELGSA-N 1 0 346.452 2.729 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2cc(C3CC3)on2)cc1C ZINC001662293769 1103650815 /nfs/dbraw/zinc/65/08/15/1103650815.db2.gz UZFVALAZAIVYBT-CYBMUJFWSA-N 1 0 343.427 2.777 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2cnoc2C2CC2)cc1C ZINC001662377867 1103679973 /nfs/dbraw/zinc/67/99/73/1103679973.db2.gz PJBBGMIVOQGXOO-ZDUSSCGKSA-N 1 0 343.427 2.777 10 10 EFCERO CC[C@](O)(C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1)C(F)(F)F ZINC000905914799 1103728108 /nfs/dbraw/zinc/72/81/08/1103728108.db2.gz KMEPXAPJNSYEJJ-INIZCTEOSA-N 1 0 346.393 2.911 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)COC(C)(C)C)C2CC2)cc1C ZINC001483556901 1103941883 /nfs/dbraw/zinc/94/18/83/1103941883.db2.gz XXNSMOVFKZCAJH-QGZVFWFLSA-N 1 0 348.487 2.803 10 10 EFCERO c1ccc([C@H](CN2CCOCC2)[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000078819867 1104004893 /nfs/dbraw/zinc/00/48/93/1104004893.db2.gz CZDPCWQCLCXNPW-FQEVSTJZSA-N 1 0 338.451 2.785 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)CCc2ccoc2)cc1C ZINC001663878852 1104232483 /nfs/dbraw/zinc/23/24/83/1104232483.db2.gz RGBKQMCDCZPDDT-UHFFFAOYSA-N 1 0 330.428 2.777 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2ncccc2F)cc1C ZINC001666640295 1104973527 /nfs/dbraw/zinc/97/35/27/1104973527.db2.gz COWPUIOWMIRXPC-ZDUSSCGKSA-N 1 0 345.418 2.693 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)c2ncccc2C)cc1C ZINC001666876741 1105011660 /nfs/dbraw/zinc/01/16/60/1105011660.db2.gz KDLCJEYDDFJYSK-INIZCTEOSA-N 1 0 341.455 2.957 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2cnccc2C)cc1C ZINC001666876263 1105011691 /nfs/dbraw/zinc/01/16/91/1105011691.db2.gz FLXCTDLMMGXFBF-MRXNPFEDSA-N 1 0 341.455 2.957 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](CC(C)C)NC(=O)c2cnco2)cc1C ZINC001667095280 1105051253 /nfs/dbraw/zinc/05/12/53/1105051253.db2.gz DIXLZZJESNSYHW-MRXNPFEDSA-N 1 0 345.443 2.926 10 10 EFCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)c2ocnc2C)cc1C ZINC001482823244 1105054018 /nfs/dbraw/zinc/05/40/18/1105054018.db2.gz YOORRLCPCDOOGF-CYBMUJFWSA-N 1 0 331.416 2.598 10 10 EFCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)c2nc(C)oc2C)cc1C ZINC001482884192 1105132806 /nfs/dbraw/zinc/13/28/06/1105132806.db2.gz HWBUZYRZYKFFDZ-ZDUSSCGKSA-N 1 0 345.443 2.907 10 10 EFCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)c1cccn1C ZINC001482910537 1105158886 /nfs/dbraw/zinc/15/88/86/1105158886.db2.gz BPTFPWISHKFONF-UHFFFAOYSA-N 1 0 329.444 2.594 10 10 EFCERO C[C@H](CC[NH2+]CC[C@H](C)F)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001482903517 1105163017 /nfs/dbraw/zinc/16/30/17/1105163017.db2.gz PWOHVIMRPZRLSM-NWDGAFQWSA-N 1 0 337.399 2.695 10 10 EFCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@@H]1CCOC[C@H]1C ZINC001482947278 1105234510 /nfs/dbraw/zinc/23/45/10/1105234510.db2.gz JUIPCKHJXCCKEE-SJLPKXTDSA-N 1 0 348.487 2.614 10 10 EFCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@@H]1CCOC[C@@H]1C ZINC001482947274 1105234578 /nfs/dbraw/zinc/23/45/78/1105234578.db2.gz JUIPCKHJXCCKEE-FUHWJXTLSA-N 1 0 348.487 2.614 10 10 EFCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)CC(C)(F)F)cc1C ZINC001669027791 1105420022 /nfs/dbraw/zinc/42/00/22/1105420022.db2.gz WHUMGNYOTGAXIG-SNAWJCMRSA-N 1 0 326.387 2.811 10 10 EFCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)CC(C)(F)F)cc1C ZINC001669027790 1105420576 /nfs/dbraw/zinc/42/05/76/1105420576.db2.gz WHUMGNYOTGAXIG-PLNGDYQASA-N 1 0 326.387 2.811 10 10 EFCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)Cc2occc2C)cc1C ZINC001669033073 1105420792 /nfs/dbraw/zinc/42/07/92/1105420792.db2.gz CSWLWDVICAPNBI-SNAWJCMRSA-N 1 0 342.439 2.910 10 10 EFCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)C2[C@@H]3CCC[C@H]23)cc1C ZINC001482995286 1105500393 /nfs/dbraw/zinc/50/03/93/1105500393.db2.gz QBBUMNFGKWYQHJ-PTZMFOCOSA-N 1 0 328.456 2.812 10 10 EFCERO CCn1cccc1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001669740961 1105513787 /nfs/dbraw/zinc/51/37/87/1105513787.db2.gz HYQDXIJPSNBJIH-HNNXBMFYSA-N 1 0 329.444 2.733 10 10 EFCERO CC/C=C\CC[NH2+]C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001669753389 1105515847 /nfs/dbraw/zinc/51/58/47/1105515847.db2.gz MWSGIFSEERIQPO-KPMCZTIKSA-N 1 0 331.420 2.913 10 10 EFCERO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@H]2CCC2(F)F)cc1C ZINC001670137960 1105586256 /nfs/dbraw/zinc/58/62/56/1105586256.db2.gz CIFUHQXOAIXXIP-OAHLLOKOSA-N 1 0 340.414 2.987 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)N2CC[C@H](CC[NH2+]CCCF)C2)cc1 ZINC001672915397 1105937201 /nfs/dbraw/zinc/93/72/01/1105937201.db2.gz HKSUJCNOHLVGNN-ZDUSSCGKSA-N 1 0 349.410 2.650 10 10 EFCERO CC(C)C[NH2+]CC[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001672917682 1105938153 /nfs/dbraw/zinc/93/81/53/1105938153.db2.gz YJNPRSBGAPDXGW-AWEZNQCLSA-N 1 0 345.447 2.947 10 10 EFCERO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NCc1cc(Br)ccc1O ZINC000897748225 1106071019 /nfs/dbraw/zinc/07/10/19/1106071019.db2.gz RUZFTNZJFGAKRU-GFCCVEGCSA-N 1 0 341.249 2.644 10 10 EFCERO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NCc1cc(Br)ccc1O ZINC000897748226 1106071134 /nfs/dbraw/zinc/07/11/34/1106071134.db2.gz RUZFTNZJFGAKRU-LBPRGKRZSA-N 1 0 341.249 2.644 10 10 EFCERO COCC(C)(C)C(=O)N1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H](C)C1 ZINC001673885086 1106096710 /nfs/dbraw/zinc/09/67/10/1106096710.db2.gz MLTBNFSLTZJTNT-RDJZCZTQSA-N 1 0 348.487 2.613 10 10 EFCERO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc3cc(O)c(O)cc3s1)C2 ZINC000897877680 1106127651 /nfs/dbraw/zinc/12/76/51/1106127651.db2.gz YKIWQFYYLJOQOO-SFHVURJKSA-N 1 0 346.452 2.870 10 10 EFCERO C[N@@H+]1CCC[C@H](CCNC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000897961045 1106168524 /nfs/dbraw/zinc/16/85/24/1106168524.db2.gz IPPVZCYXDQFONY-LLVKDONJSA-N 1 0 334.441 2.774 10 10 EFCERO C[C@@H]([NH2+]CC1CCC1)[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001674780345 1106255780 /nfs/dbraw/zinc/25/57/80/1106255780.db2.gz LNNAPSCDOUKHDL-NEPJUHHUSA-N 1 0 331.420 2.746 10 10 EFCERO C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@@H](C)[NH2+]CC1CCC1 ZINC001674780348 1106255813 /nfs/dbraw/zinc/25/58/13/1106255813.db2.gz LNNAPSCDOUKHDL-VXGBXAGGSA-N 1 0 331.420 2.746 10 10 EFCERO COc1ccc(N2CC[NH+](CCOC3CCSCC3)CC2)cc1 ZINC000929153371 1106301691 /nfs/dbraw/zinc/30/16/91/1106301691.db2.gz ZMSTXYAUHMFDRT-UHFFFAOYSA-N 1 0 336.501 2.729 10 10 EFCERO COc1ccc(C[NH2+][C@H](CCNC(=O)[C@@H]2CCCO2)C(C)C)cc1C ZINC001676149440 1106493325 /nfs/dbraw/zinc/49/33/25/1106493325.db2.gz ZEGBAVRBTHUWPA-MJGOQNOKSA-N 1 0 348.487 2.803 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C[C@H]2CCCO2)cc1C ZINC001676310722 1106513607 /nfs/dbraw/zinc/51/36/07/1106513607.db2.gz IAJVJDYBLVWZFX-NVXWUHKLSA-N 1 0 334.460 2.509 10 10 EFCERO COCCCC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@H]1C ZINC001676627982 1106547089 /nfs/dbraw/zinc/54/70/89/1106547089.db2.gz OIKCWEQOXCBJBO-WBVHZDCISA-N 1 0 334.460 2.509 10 10 EFCERO Cc1ccc([C@@H](C)[NH2+]CC2CCC(S(C)(=O)=O)CC2)c(O)c1 ZINC000903154875 1107032444 /nfs/dbraw/zinc/03/24/44/1107032444.db2.gz PSDBERMNTPULAV-WLYUNCDWSA-N 1 0 325.474 2.955 10 10 EFCERO CC(C)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001272342356 1107980790 /nfs/dbraw/zinc/98/07/90/1107980790.db2.gz GQGJNDFOMKKALR-GDBMZVCRSA-N 1 0 345.447 2.993 10 10 EFCERO CC[C@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000926955214 1108258376 /nfs/dbraw/zinc/25/83/76/1108258376.db2.gz ZLOTVKIQFBVYGS-INIZCTEOSA-N 1 0 326.506 2.864 10 10 EFCERO O=C(NCc1c(O)cccc1F)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000905148431 1108458797 /nfs/dbraw/zinc/45/87/97/1108458797.db2.gz NJMLLFRAUMMZAN-HNNXBMFYSA-N 1 0 347.390 2.761 10 10 EFCERO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC[C@H]1CCCC[N@@H+]1C ZINC001682101677 1108569017 /nfs/dbraw/zinc/56/90/17/1108569017.db2.gz ULRCUQBZBGWCDC-VQIMIIECSA-N 1 0 346.519 2.776 10 10 EFCERO CCn1cccc1C(=O)NC/C=C/C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001483098076 1108642318 /nfs/dbraw/zinc/64/23/18/1108642318.db2.gz UMGCDZHTGXGYKE-AATRIKPKSA-N 1 0 341.455 2.901 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2C[C@H](CO)C2)c1O ZINC000927145761 1109070631 /nfs/dbraw/zinc/07/06/31/1109070631.db2.gz RZQHUBSZGALSJL-FXPVBKGRSA-N 1 0 330.222 2.585 10 10 EFCERO C[N@@H+]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CCC1(C)C ZINC000899171528 1109232368 /nfs/dbraw/zinc/23/23/68/1109232368.db2.gz AMMCSBGDXLORNQ-UHFFFAOYSA-N 1 0 334.441 2.869 10 10 EFCERO CCc1oncc1C(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001483772412 1112332555 /nfs/dbraw/zinc/33/25/55/1112332555.db2.gz DEWFRWCRTMGLLT-UHFFFAOYSA-N 1 0 343.427 2.606 10 10 EFCERO CCCOCC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@H]1C ZINC001483899092 1112541222 /nfs/dbraw/zinc/54/12/22/1112541222.db2.gz OITKZABZWUXPMC-AEFFLSMTSA-N 1 0 348.487 2.899 10 10 EFCERO COCCCC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@H]1C ZINC001483899592 1112541628 /nfs/dbraw/zinc/54/16/28/1112541628.db2.gz RNOLDARLYUDZCT-AEFFLSMTSA-N 1 0 348.487 2.899 10 10 EFCERO CC[N@@H+]1CCC[C@@](C)(CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001484173356 1112866774 /nfs/dbraw/zinc/86/67/74/1112866774.db2.gz FOSIUYBRJXYIEO-KRWDZBQOSA-N 1 0 331.420 2.701 10 10 EFCERO C/C=C(/C)C(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CCOCC1 ZINC001484180978 1112885432 /nfs/dbraw/zinc/88/54/32/1112885432.db2.gz RBQVKSVWTCVQKG-WCSRMQSCSA-N 1 0 346.471 2.725 10 10 EFCERO C[C@@H](F)CC[NH2+]C1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CCC1 ZINC001484664410 1113104179 /nfs/dbraw/zinc/10/41/79/1113104179.db2.gz JHOTZJXYNXLWHV-GFCCVEGCSA-N 1 0 349.410 2.839 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2ccccn2)cc1C ZINC001485115413 1118050243 /nfs/dbraw/zinc/05/02/43/1118050243.db2.gz YWBZSTWBMJALAI-HUUCEWRRSA-N 1 0 327.428 2.695 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc2cc(C)on2)cc1C ZINC001485131369 1118059416 /nfs/dbraw/zinc/05/94/16/1118059416.db2.gz CKOZQHMSVALXQD-LSDHHAIUSA-N 1 0 345.443 2.526 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)Cc2cc(C)on2)cc1C ZINC001485131368 1118059812 /nfs/dbraw/zinc/05/98/12/1118059812.db2.gz CKOZQHMSVALXQD-HUUCEWRRSA-N 1 0 345.443 2.526 10 10 EFCERO COc1cc(C[N@@H+]2CCO[C@]3(CCOC3)C2)c(O)c(C(C)(C)C)c1 ZINC000184273985 1118982301 /nfs/dbraw/zinc/98/23/01/1118982301.db2.gz RIKPZLGWMLBKSF-LJQANCHMSA-N 1 0 335.444 2.690 10 10 EFCERO CN(C)c1ccc([C@@H]2[NH2+]C[C@@H](COc3ccc([N+](=O)[O-])cc3)O2)cc1 ZINC000034803473 202278210 /nfs/dbraw/zinc/27/82/10/202278210.db2.gz WRASVXYMXMWGQJ-ZWKOTPCHSA-N 1 0 343.383 2.727 10 10 EFCERO COc1cc(O)c(C[N@@H+]2CCC[C@@H](Cc3noc(C)n3)C2)cc1OC ZINC000160130863 239044563 /nfs/dbraw/zinc/04/45/63/239044563.db2.gz JPQGMSLPENUCPP-ZDUSSCGKSA-N 1 0 347.415 2.556 10 10 EFCERO COc1cc(O)c(C[N@@H+]2CCC[C@H]2Cn2ccnc2C)cc1OC ZINC000160361066 239048148 /nfs/dbraw/zinc/04/81/48/239048148.db2.gz CXYQPGLTZSYXLJ-HNNXBMFYSA-N 1 0 331.416 2.579 10 10 EFCERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000172248697 239166920 /nfs/dbraw/zinc/16/69/20/239166920.db2.gz NVRCEYADZFMRDT-VQIMIIECSA-N 1 0 342.487 2.665 10 10 EFCERO C[C@H]1C[C@H](N(C)C(=O)NCc2ccc(N3CCCC3)cc2)CC[N@@H+]1C ZINC000173993454 239213529 /nfs/dbraw/zinc/21/35/29/239213529.db2.gz VHZHRUGQUSBWFT-QFBILLFUSA-N 1 0 344.503 2.911 10 10 EFCERO O=C(c1ccoc1)N1CCC([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000054174114 202666961 /nfs/dbraw/zinc/66/69/61/202666961.db2.gz SXGIUASDSKSARI-UHFFFAOYSA-N 1 0 326.396 2.609 10 10 EFCERO Cc1cc(O)c(C[NH+]2CCC(c3nc(N(C)C)no3)CC2)cc1C ZINC000191907840 240011090 /nfs/dbraw/zinc/01/10/90/240011090.db2.gz KQHPNKMFNRYGCW-UHFFFAOYSA-N 1 0 330.432 2.838 10 10 EFCERO C[C@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1ccc(N(C)C)cc1 ZINC000193009940 240077789 /nfs/dbraw/zinc/07/77/89/240077789.db2.gz RQQYYGIWALONNB-DOTOQJQBSA-N 1 0 325.460 2.862 10 10 EFCERO COc1cc(Br)cc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)c1O ZINC000249985688 240304089 /nfs/dbraw/zinc/30/40/89/240304089.db2.gz ZCWVSUBGXXASBS-XQQFMLRXSA-N 1 0 342.233 2.820 10 10 EFCERO O[C@]12CCCC[C@H]1C[N@H+](Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000245683413 240259662 /nfs/dbraw/zinc/25/96/62/240259662.db2.gz ACANCLOKOMPCGL-ICSRJNTNSA-N 1 0 330.472 2.650 10 10 EFCERO CC(C)(C)OC[C@@H](O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000246438569 240268525 /nfs/dbraw/zinc/26/85/25/240268525.db2.gz CZRLFRIHJLDDMN-DLBZAZTESA-N 1 0 337.460 2.549 10 10 EFCERO Oc1ccc(Br)cc1C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000247217556 240278585 /nfs/dbraw/zinc/27/85/85/240278585.db2.gz VUDVMLNADFPHMY-TZMCWYRMSA-N 1 0 344.274 2.861 10 10 EFCERO CN(Cc1ccccc1O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000247920090 240285526 /nfs/dbraw/zinc/28/55/26/240285526.db2.gz BREGTARULVIIMM-PKOBYXMFSA-N 1 0 339.439 2.979 10 10 EFCERO C[C@H]([NH2+][C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1ccccc1O ZINC000248387771 240289519 /nfs/dbraw/zinc/28/95/19/240289519.db2.gz PWJZESALXKBREP-XKGZKEIXSA-N 1 0 340.467 2.926 10 10 EFCERO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cccc(O)c2O)C1 ZINC000248715700 240293950 /nfs/dbraw/zinc/29/39/50/240293950.db2.gz DVWOWIDSHSSNOI-HUUCEWRRSA-N 1 0 332.444 2.824 10 10 EFCERO COc1cc(Cl)cc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c1O ZINC000248852334 240296175 /nfs/dbraw/zinc/29/61/75/240296175.db2.gz BIYCNVYVYRWWBE-OCCSQVGLSA-N 1 0 329.849 2.761 10 10 EFCERO O=C(NCc1ccc(N2CCCC2)cc1)NCc1ccc2c[nH+]cn2c1 ZINC000296948776 241106055 /nfs/dbraw/zinc/10/60/55/241106055.db2.gz CEHUZSNKXJTGJP-UHFFFAOYSA-N 1 0 349.438 2.934 10 10 EFCERO COc1cc(Br)cc(C[N@@H+]2CCC23CCOCC3)c1O ZINC000365839312 242335043 /nfs/dbraw/zinc/33/50/43/242335043.db2.gz RBXZWHPQPNOINO-UHFFFAOYSA-N 1 0 342.233 2.918 10 10 EFCERO Fc1cc(C[NH2+][C@@H]2CCCc3n[nH]cc32)ccc1N1CCOCC1 ZINC000367596554 242386268 /nfs/dbraw/zinc/38/62/68/242386268.db2.gz PXAIBMUQLHUWBD-MRXNPFEDSA-N 1 0 330.407 2.553 10 10 EFCERO C[C@H]([NH2+]Cc1ccccn1)c1ccc(N2CCN(C)CC2)c(F)c1 ZINC000071825361 203120316 /nfs/dbraw/zinc/12/03/16/203120316.db2.gz NEINQZHQAFHFKY-HNNXBMFYSA-N 1 0 328.435 2.823 10 10 EFCERO C[C@H](Cn1cncn1)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279871020 279389012 /nfs/dbraw/zinc/38/90/12/279389012.db2.gz JOORONXLRCASRG-LLVKDONJSA-N 1 0 327.354 2.541 10 10 EFCERO CC[C@H]([NH2+]C[C@H](O)[C@@H]1CCCO1)c1ccc(C(F)(F)F)cc1O ZINC000527953196 316504018 /nfs/dbraw/zinc/50/40/18/316504018.db2.gz KIPXRKOSFOUGFW-QEJZJMRPSA-N 1 0 333.350 2.992 10 10 EFCERO COc1cc(Br)cc(CN[C@H]2CC[NH2+]C23CCC3)c1O ZINC000530179165 317071915 /nfs/dbraw/zinc/07/19/15/317071915.db2.gz USORHNPRBHADFP-ZDUSSCGKSA-N 1 0 341.249 2.538 10 10 EFCERO Cc1cnn(C[C@H]2C[N@H+](Cc3c(O)ccc4ccccc43)CCO2)c1 ZINC000112072154 473241304 /nfs/dbraw/zinc/24/13/04/473241304.db2.gz PJXBYJCQMBVLHH-QGZVFWFLSA-N 1 0 337.423 2.951 10 10 EFCERO CCOc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1C ZINC000095985023 473244281 /nfs/dbraw/zinc/24/42/81/473244281.db2.gz FFKAWIJXYVVERN-WBVHZDCISA-N 1 0 325.474 2.839 10 10 EFCERO C[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1ccc(Br)cc1O ZINC000184935926 473277890 /nfs/dbraw/zinc/27/78/90/473277890.db2.gz JVXGRALHNCQRNS-NWDGAFQWSA-N 1 0 343.265 2.526 10 10 EFCERO Cc1ccc(O)c(C[NH+]2CCC(N(C)CC(=O)OC(C)(C)C)CC2)c1 ZINC000190588635 473328495 /nfs/dbraw/zinc/32/84/95/473328495.db2.gz NUCPNDNLOOMIMR-UHFFFAOYSA-N 1 0 348.487 2.939 10 10 EFCERO C[C@@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1ccccc1O ZINC000185279551 473384971 /nfs/dbraw/zinc/38/49/71/473384971.db2.gz DNKVWMRLGVIQDN-CYBMUJFWSA-N 1 0 331.391 2.614 10 10 EFCERO COc1ccccc1N1CC[NH+](CCCOc2ccc(N)cc2)CC1 ZINC000005141370 471487626 /nfs/dbraw/zinc/48/76/26/471487626.db2.gz OVTOGSIGZHPHRK-UHFFFAOYSA-N 1 0 341.455 2.869 10 10 EFCERO Cc1ccc([C@H](Cc2ccc(O)c(O)c2)[NH+]2CCN(C)CC2)cc1 ZINC000033891115 471987599 /nfs/dbraw/zinc/98/75/99/471987599.db2.gz VKFHISXPCGHDLQ-SFHVURJKSA-N 1 0 326.440 2.937 10 10 EFCERO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@H](C)n1cccn1 ZINC000069372350 472330438 /nfs/dbraw/zinc/33/04/38/472330438.db2.gz QMZULVRIGSMLCD-CABCVRRESA-N 1 0 332.423 2.598 10 10 EFCERO Cc1ccc(C)n1-c1ccsc1C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116796821 472437105 /nfs/dbraw/zinc/43/71/05/472437105.db2.gz KHJYSYVGCORTJS-HNNXBMFYSA-N 1 0 347.484 2.558 10 10 EFCERO Cn1cc([C@H]2CC[N@H+](Cc3cc(Br)ccc3O)C2)cn1 ZINC000128350822 472440163 /nfs/dbraw/zinc/44/01/63/472440163.db2.gz VXLHEAGYYLEQBA-NSHDSACASA-N 1 0 336.233 2.878 10 10 EFCERO CC[C@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000089948978 472559325 /nfs/dbraw/zinc/55/93/25/472559325.db2.gz UJEHGOYVNYSYEJ-YJBOKZPZSA-N 1 0 328.456 2.748 10 10 EFCERO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](C(=O)Nc3nncs3)C2)cc1C ZINC000058416012 472567279 /nfs/dbraw/zinc/56/72/79/472567279.db2.gz GMJFXXJYLWKHAW-CYBMUJFWSA-N 1 0 346.456 2.711 10 10 EFCERO CCOCc1cc(C[NH2+][C@H]2CCN(C(C)=O)C[C@H]2C)ccc1OC ZINC000089987045 472571914 /nfs/dbraw/zinc/57/19/14/472571914.db2.gz QCCCTVFEOYPKQO-KDOFPFPSSA-N 1 0 334.460 2.578 10 10 EFCERO CCOc1cccc(C[N@H+](C)[C@H]2CCCN(c3cccnn3)C2)c1O ZINC000120203752 472648352 /nfs/dbraw/zinc/64/83/52/472648352.db2.gz BIQQUEMQDZDZCA-INIZCTEOSA-N 1 0 342.443 2.682 10 10 EFCERO CCn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000072298364 472657257 /nfs/dbraw/zinc/65/72/57/472657257.db2.gz HMQZCEVLKGZANP-IBGZPJMESA-N 1 0 340.471 2.907 10 10 EFCERO Cn1cc([C@@H]2CCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000131871778 472698703 /nfs/dbraw/zinc/69/87/03/472698703.db2.gz MJMPUOWBVFUFOT-IBGZPJMESA-N 1 0 326.444 2.594 10 10 EFCERO CC[C@@H]([NH2+]C[C@H]1CCCN1c1cc(NC)ncn1)c1ccccc1O ZINC000156501972 472716350 /nfs/dbraw/zinc/71/63/50/472716350.db2.gz YISOLRWGJJBUHH-GDBMZVCRSA-N 1 0 341.459 2.934 10 10 EFCERO COc1ccc([C@H](C)[NH2+]Cc2cc3c(cc2O)OCO3)c(OC)c1 ZINC000063255951 472762042 /nfs/dbraw/zinc/76/20/42/472762042.db2.gz RJKZABZWWMASLY-NSHDSACASA-N 1 0 331.368 2.989 10 10 EFCERO CC[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1cc(Br)ccc1O ZINC000091667354 472790967 /nfs/dbraw/zinc/79/09/67/472790967.db2.gz ZXYWUOBDDPTPRL-GXTWGEPZSA-N 1 0 343.265 2.526 10 10 EFCERO Cc1cnc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)nc1 ZINC000091675765 472792359 /nfs/dbraw/zinc/79/23/59/472792359.db2.gz WXJORYUSFUBUJA-UHFFFAOYSA-N 1 0 337.471 2.929 10 10 EFCERO CCc1noc([C@H](C)N2CC[NH+](Cc3cc(C)ccc3O)CC2)n1 ZINC000121408691 472846163 /nfs/dbraw/zinc/84/61/63/472846163.db2.gz WTGZFQJRGYRHIZ-AWEZNQCLSA-N 1 0 330.432 2.525 10 10 EFCERO c1c[nH]c([C@@H]2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC000092072305 472852888 /nfs/dbraw/zinc/85/28/88/472852888.db2.gz KAHHAKDOOQMJGW-QGZVFWFLSA-N 1 0 326.444 2.626 10 10 EFCERO CCOc1cccc(C[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)c1O ZINC000092075710 472855608 /nfs/dbraw/zinc/85/56/08/472855608.db2.gz ALWVQCOHFULQFU-KRWDZBQOSA-N 1 0 340.423 2.854 10 10 EFCERO CCn1cc(CN2CCC[N@H+](Cc3cc(C)c(C)cc3O)CC2)cn1 ZINC000121621580 472882414 /nfs/dbraw/zinc/88/24/14/472882414.db2.gz RKWMPHRMXNIYFA-UHFFFAOYSA-N 1 0 342.487 2.933 10 10 EFCERO c1cnn(C2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)c1 ZINC000092617868 472946781 /nfs/dbraw/zinc/94/67/81/472946781.db2.gz YGNMFUSRUXSBFI-UHFFFAOYSA-N 1 0 326.444 2.557 10 10 EFCERO Cc1nn(C)c(Cl)c1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000065465587 472949067 /nfs/dbraw/zinc/94/90/67/472949067.db2.gz ODUZUQIIJRKJSE-UHFFFAOYSA-N 1 0 334.851 2.508 10 10 EFCERO CCOc1cccc(C[NH+]2CCC(N(C)c3cccnn3)CC2)c1O ZINC000093272543 473072208 /nfs/dbraw/zinc/07/22/08/473072208.db2.gz YAOMRMHFAIWGAN-UHFFFAOYSA-N 1 0 342.443 2.682 10 10 EFCERO CCN(CC)c1ccc(CNC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1F ZINC000109033533 473075552 /nfs/dbraw/zinc/07/55/52/473075552.db2.gz CEABBAPPGGLAIW-OAHLLOKOSA-N 1 0 336.455 2.517 10 10 EFCERO COc1ccc(O)c([C@H](C)[NH2+][C@H](Cc2ccccc2)C(=O)N(C)C)c1 ZINC000185407795 473418247 /nfs/dbraw/zinc/41/82/47/473418247.db2.gz RMHFDGCOMVSQDU-KBXCAEBGSA-N 1 0 342.439 2.751 10 10 EFCERO CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2cc(C)ccc2O)ncn1 ZINC000185992254 473567041 /nfs/dbraw/zinc/56/70/41/473567041.db2.gz ZBWBFHOEZMRWRY-CABCVRRESA-N 1 0 341.459 2.852 10 10 EFCERO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCc3nc(C(C)C)nn3C2)c1 ZINC000185996722 473567269 /nfs/dbraw/zinc/56/72/69/473567269.db2.gz QVEDYMTXGZTKNG-QWHCGFSZSA-N 1 0 330.432 2.781 10 10 EFCERO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[C@H](O)CN2Cc2ccccc2)c1 ZINC000186193724 473612321 /nfs/dbraw/zinc/61/23/21/473612321.db2.gz MHVASJVFODTJRV-WDSOQIARSA-N 1 0 340.467 2.987 10 10 EFCERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)C12CCOCC2 ZINC000186297709 473641049 /nfs/dbraw/zinc/64/10/49/473641049.db2.gz COXIIRNAQSZMNN-QZTJIDSGSA-N 1 0 336.451 2.956 10 10 EFCERO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3O)C2)n1 ZINC000179559200 473694998 /nfs/dbraw/zinc/69/49/98/473694998.db2.gz VKAFNBFLMRDKHS-INIZCTEOSA-N 1 0 325.412 2.946 10 10 EFCERO Cc1cc(NC(=O)C2CC[NH+](Cc3cccc(C)c3O)CC2)no1 ZINC000179645390 473702911 /nfs/dbraw/zinc/70/29/11/473702911.db2.gz DNMAGFPAMSBGBJ-UHFFFAOYSA-N 1 0 329.400 2.848 10 10 EFCERO Cc1cccc(C[NH+]2CCN(Cc3cnn(C(C)(C)C)c3)CC2)c1O ZINC000180104131 473800511 /nfs/dbraw/zinc/80/05/11/473800511.db2.gz PUAVNRIZMIFXEG-UHFFFAOYSA-N 1 0 342.487 2.970 10 10 EFCERO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2)c1O ZINC000187228484 473841363 /nfs/dbraw/zinc/84/13/63/473841363.db2.gz XFQAXBUCHCAXGC-CMPLNLGQSA-N 1 0 341.249 2.735 10 10 EFCERO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(N2CCCCC2)cc1 ZINC000180592167 473913970 /nfs/dbraw/zinc/91/39/70/473913970.db2.gz FYQLHDFPNGTLTO-RDJZCZTQSA-N 1 0 325.460 2.934 10 10 EFCERO Oc1cccc(Cl)c1C[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000274849121 473988120 /nfs/dbraw/zinc/98/81/20/473988120.db2.gz XSMJZDRJPHCOGC-UHFFFAOYSA-N 1 0 333.819 2.567 10 10 EFCERO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2O)c1 ZINC000264587218 474049812 /nfs/dbraw/zinc/04/98/12/474049812.db2.gz FHHCOMYYJDLJOF-ZDUSSCGKSA-N 1 0 341.411 2.810 10 10 EFCERO C[C@@H]([NH2+][C@@H]1CCN(C(=O)COc2ccccc2)C1)c1ccccc1O ZINC000282502664 474089958 /nfs/dbraw/zinc/08/99/58/474089958.db2.gz SAAKAWPXXWQPPX-HZPDHXFCSA-N 1 0 340.423 2.723 10 10 EFCERO CCOc1ccc(O)c(C[NH+]2CCN(c3cc(C4CC4)[nH]n3)CC2)c1 ZINC000189915206 474506234 /nfs/dbraw/zinc/50/62/34/474506234.db2.gz CHFVRAYVCREFHE-UHFFFAOYSA-N 1 0 342.443 2.714 10 10 EFCERO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H](O)C1CCCCC1 ZINC000276476629 474559023 /nfs/dbraw/zinc/55/90/23/474559023.db2.gz ODRGZESDNQSOGJ-FQEVSTJZSA-N 1 0 332.488 2.896 10 10 EFCERO CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000284073437 474564307 /nfs/dbraw/zinc/56/43/07/474564307.db2.gz QPTHNIQMYVAPIJ-PKOBYXMFSA-N 1 0 334.504 2.925 10 10 EFCERO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000284073428 474564453 /nfs/dbraw/zinc/56/44/53/474564453.db2.gz QPTHNIQMYVAPIJ-IEBWSBKVSA-N 1 0 334.504 2.925 10 10 EFCERO COC(=O)/C=C/c1ccc(N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000267607174 474675875 /nfs/dbraw/zinc/67/58/75/474675875.db2.gz JULQADFEBUNKTG-AQGQNPDFSA-N 1 0 347.415 2.557 10 10 EFCERO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)c1ccccc1 ZINC000278566665 474708455 /nfs/dbraw/zinc/70/84/55/474708455.db2.gz BYVRYBVNJNQXEA-AWEZNQCLSA-N 1 0 332.356 2.786 10 10 EFCERO Cc1noc([C@@H](NCc2ccc3c(c2)CCO3)C2CCOCC2)n1 ZINC000328617705 475039289 /nfs/dbraw/zinc/03/92/89/475039289.db2.gz DAHLCXJKWFLCGO-KRWDZBQOSA-N 1 0 329.400 2.570 10 10 EFCERO CN(Cc1cccs1)c1ccc(C[NH2+][C@H]2CCCNC2=O)cc1 ZINC000294927474 475092597 /nfs/dbraw/zinc/09/25/97/475092597.db2.gz BJWPKCHNEHYIOG-KRWDZBQOSA-N 1 0 329.469 2.753 10 10 EFCERO [NH3+]CCCN(Cc1c[nH]nc1-c1cccnc1)c1ccccc1F ZINC000346393352 475595680 /nfs/dbraw/zinc/59/56/80/475595680.db2.gz QTWYPRSHLDFYGA-UHFFFAOYSA-N 1 0 325.391 2.966 10 10 EFCERO COCc1noc(Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)n1 ZINC000349925484 476020082 /nfs/dbraw/zinc/02/00/82/476020082.db2.gz CQPQFANPAZYZHB-UHFFFAOYSA-N 1 0 340.427 2.986 10 10 EFCERO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000373736447 476424102 /nfs/dbraw/zinc/42/41/02/476424102.db2.gz BAPMLDJVCLDKMQ-DYLAAIIWSA-N 1 0 329.227 2.785 10 10 EFCERO Oc1cc2c(cc1C[NH2+][C@H](c1ccccc1)[C@H]1CCOC1)OCO2 ZINC000374472508 476483239 /nfs/dbraw/zinc/48/32/39/476483239.db2.gz QEXSCIPXXFWDAB-IFXJQAMLSA-N 1 0 327.380 2.988 10 10 EFCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@@H](F)C2)C1 ZINC000452354256 476930274 /nfs/dbraw/zinc/93/02/74/476930274.db2.gz LHBNEEIIKGWJFX-OAHLLOKOSA-N 1 0 343.446 2.978 10 10 EFCERO CCOC1CC2(C1)CC[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000368034646 477780334 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COc1cc(O)c(C[NH2+]C[C@@H]2CCN2C2CCCCC2)cc1OC ZINC000529641301 479232753 /nfs/dbraw/zinc/23/27/53/479232753.db2.gz PBXXEJIUCSASGW-INIZCTEOSA-N 1 0 334.460 2.906 10 10 EFCERO Cc1ccc(O)c(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000160175441 534193696 /nfs/dbraw/zinc/19/36/96/534193696.db2.gz BYTVHRAHXHRFPL-MRXNPFEDSA-N 1 0 328.412 2.982 10 10 EFCERO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](c3cnn(C)c3)C2)c1O ZINC000177189284 527206067 /nfs/dbraw/zinc/20/60/67/527206067.db2.gz UUXYXKMRSCFMGI-LBPRGKRZSA-N 1 0 333.819 2.971 10 10 EFCERO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2cccnc2-n2cncn2)cc1 ZINC000178049989 527870388 /nfs/dbraw/zinc/87/03/88/527870388.db2.gz RKWTZMRVYLFXCI-OAHLLOKOSA-N 1 0 336.443 2.969 10 10 EFCERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000176285916 529066485 /nfs/dbraw/zinc/06/64/85/529066485.db2.gz OJVIAFVTZQYZSV-OAHLLOKOSA-N 1 0 336.455 2.517 10 10 EFCERO COc1ccc(N2CCC([NH2+]CC(=O)NC3CCCCC3)CC2)cc1 ZINC000362274954 536670772 /nfs/dbraw/zinc/67/07/72/536670772.db2.gz ZRUPDVSBSVOXSK-UHFFFAOYSA-N 1 0 345.487 2.703 10 10 EFCERO COc1cc(O)c(C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1OC ZINC000245548940 536856341 /nfs/dbraw/zinc/85/63/41/536856341.db2.gz YKMGAMGEDFMODZ-UKRRQHHQSA-N 1 0 331.416 2.689 10 10 EFCERO CC[C@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1ccc(C)cc1O ZINC000373559324 546149554 /nfs/dbraw/zinc/14/95/54/546149554.db2.gz BNMHGJMRMNLNHS-IRXDYDNUSA-N 1 0 332.444 2.521 10 10 EFCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC(F)(F)C2)C1 ZINC000683499908 549907177 /nfs/dbraw/zinc/90/71/77/549907177.db2.gz OOFXMAPAIGWCCN-UHFFFAOYSA-N 1 0 347.409 2.885 10 10 EFCERO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3c(O)ccc4ccncc43)[C@@H]2C1 ZINC000754797328 575492368 /nfs/dbraw/zinc/49/23/68/575492368.db2.gz NTIDTXIXDRCFAG-LSBZLQRGSA-N 1 0 328.412 2.709 10 10 EFCERO C[C@H]([NH2+]C1CCC(C(N)=O)CC1)c1cc(Br)ccc1O ZINC000756704427 575779134 /nfs/dbraw/zinc/77/91/34/575779134.db2.gz NMKUSZVULKDZIT-BMQDGWLCSA-N 1 0 341.249 2.849 10 10 EFCERO C[C@@H]([NH2+]C1CCC(C(N)=O)CC1)c1ccc(Br)cc1O ZINC000756705722 575779148 /nfs/dbraw/zinc/77/91/48/575779148.db2.gz OOBBLACSUGOPDU-GRZMOONWSA-N 1 0 341.249 2.849 10 10 EFCERO C[C@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1cc(Cl)ccc1O ZINC000756780844 575786122 /nfs/dbraw/zinc/78/61/22/575786122.db2.gz WLARVPCUKXUWDX-NSHDSACASA-N 1 0 331.865 2.911 10 10 EFCERO CC(C)(C)[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1O ZINC000757866888 575854872 /nfs/dbraw/zinc/85/48/72/575854872.db2.gz ONLUQWZITHOJTJ-RTBURBONSA-N 1 0 332.488 2.752 10 10 EFCERO Cc1cc(Cl)cc(C[NH2+]Cc2ccc3c(c2)C(=O)NCC3)c1O ZINC000757941758 575856393 /nfs/dbraw/zinc/85/63/93/575856393.db2.gz IBLGWYRJODKHDB-UHFFFAOYSA-N 1 0 330.815 2.930 10 10 EFCERO CN(C(=O)NCCCSc1nccs1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000759591812 575905602 /nfs/dbraw/zinc/90/56/02/575905602.db2.gz RUZNATLHJFXALV-CYBMUJFWSA-N 1 0 340.518 2.503 10 10 EFCERO CN(C(=O)NCCCSc1nccs1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000759591817 575905634 /nfs/dbraw/zinc/90/56/34/575905634.db2.gz RUZNATLHJFXALV-ZDUSSCGKSA-N 1 0 340.518 2.503 10 10 EFCERO COC(=O)c1cc2ccccc2c(C[N@@H+]2CCO[C@H](C)[C@H]2C)c1O ZINC000765098053 577006774 /nfs/dbraw/zinc/00/67/74/577006774.db2.gz CQJJDYZODKGNPS-CHWSQXEVSA-N 1 0 329.396 2.941 10 10 EFCERO CC[N@@H+]1C[C@H](C)N(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000765643705 577062174 /nfs/dbraw/zinc/06/21/74/577062174.db2.gz SNQJEPCXCNEYKP-ZAACICEASA-N 1 0 347.415 2.700 10 10 EFCERO CC[N@@H+]1C[C@H](C)N(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000765643702 577062207 /nfs/dbraw/zinc/06/22/07/577062207.db2.gz SNQJEPCXCNEYKP-CYUPMTOZSA-N 1 0 347.415 2.700 10 10 EFCERO Fc1cc(C[NH2+]CCCC2CCOCC2)ccc1N1CCOCC1 ZINC000765929010 577088586 /nfs/dbraw/zinc/08/85/86/577088586.db2.gz SIORTXMETNCGQN-UHFFFAOYSA-N 1 0 336.451 2.959 10 10 EFCERO CC[S@@](=O)CC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765938669 577090007 /nfs/dbraw/zinc/09/00/07/577090007.db2.gz ABQDNMCKEOYENH-MCMMXHMISA-N 1 0 344.908 2.596 10 10 EFCERO CNC(=O)c1ccc(C[N@H+](Cc2c(O)cccc2OC)C2CC2)cc1 ZINC000768423555 577272884 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c1cc(N2CCOCC2)ccc1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000769330887 577352830 /nfs/dbraw/zinc/35/28/30/577352830.db2.gz RKPQZSCPLKCYCX-HXUWFJFHSA-N 1 0 329.488 2.583 10 10 EFCERO Fc1cc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)ccc1N1CCOCC1 ZINC000770286536 577410058 /nfs/dbraw/zinc/41/00/58/577410058.db2.gz QQOMALAWEQGNHM-FUHWJXTLSA-N 1 0 334.435 2.663 10 10 EFCERO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000770374334 577413520 /nfs/dbraw/zinc/41/35/20/577413520.db2.gz LTOBTJLPCDLLGF-RTBURBONSA-N 1 0 330.472 2.772 10 10 EFCERO COc1ccc(N2CCC([NH2+][C@@H]3CCO[C@]4(CCOC4)C3)CC2)cc1 ZINC000773154459 581401410 /nfs/dbraw/zinc/40/14/10/581401410.db2.gz YQUUKEHKYBGNFI-YLJYHZDGSA-N 1 0 346.471 2.592 10 10 EFCERO C[C@H](NC(=O)NCC[N@@H+]1CCCC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000773216706 581406359 /nfs/dbraw/zinc/40/63/59/581406359.db2.gz BJJQSKBABKHEBF-HOTGVXAUSA-N 1 0 332.492 2.987 10 10 EFCERO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000774681192 581497588 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EFCERO COc1ccc(N2CC[C@@H]([NH2+]Cc3c[nH]nc3-c3cccnc3)C2)cc1 ZINC000850345656 1250442706 /nfs/dbraw/zinc/44/27/06/1250442706.db2.gz HDYVLKMJWLIHKA-QGZVFWFLSA-N 1 0 349.438 2.849 10 10 EFCERO COc1ccc(N2CC[C@H]([NH2+]Cc3cnn(CC(F)F)c3)C2)cc1 ZINC000850345965 1250442742 /nfs/dbraw/zinc/44/27/42/1250442742.db2.gz ARIACHLQZYRWHS-AWEZNQCLSA-N 1 0 336.386 2.525 10 10 EFCERO COc1ccc(N2CC[C@@H]([NH2+]Cc3cccc4c3OCO4)C2)cc1 ZINC000850345782 1250442808 /nfs/dbraw/zinc/44/28/08/1250442808.db2.gz KHCAZWSZDPTNLC-OAHLLOKOSA-N 1 0 326.396 2.792 10 10 EFCERO CN(C)c1ccc(/C=C\C[NH2+]CC[S@](=O)CC(F)(F)F)cc1 ZINC000850348964 1250444214 /nfs/dbraw/zinc/44/42/14/1250444214.db2.gz BOESKEALEIXPRW-BNOLWBGWSA-N 1 0 334.407 2.666 10 10 EFCERO O[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c2ccccc21 ZINC000850372494 1250453591 /nfs/dbraw/zinc/45/35/91/1250453591.db2.gz VKKDRQRZJTTZNV-AZUAARDMSA-N 1 0 342.414 2.930 10 10 EFCERO O[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c2ccccc21 ZINC000850372495 1250453633 /nfs/dbraw/zinc/45/36/33/1250453633.db2.gz VKKDRQRZJTTZNV-ICSRJNTNSA-N 1 0 342.414 2.930 10 10 EFCERO COc1ccc(N2CCC([NH2+]CC(O)(C3CC3)C3CC3)CC2)cc1 ZINC000850386211 1250458555 /nfs/dbraw/zinc/45/85/55/1250458555.db2.gz HAPWRVNKKHYNFU-UHFFFAOYSA-N 1 0 330.472 2.805 10 10 EFCERO CC(C)[C@@H](O)[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000850395045 1250463565 /nfs/dbraw/zinc/46/35/65/1250463565.db2.gz MPVRYAYZSRSTJS-RTBURBONSA-N 1 0 329.396 2.969 10 10 EFCERO CN(C)c1ccc(/C=C\C[NH2+]CC(C)(C)[C@@]2(O)CCCOC2)cc1 ZINC000850400864 1250466527 /nfs/dbraw/zinc/46/65/27/1250466527.db2.gz PKPNVJJFJAPJNZ-MWGFUINXSA-N 1 0 332.488 2.923 10 10 EFCERO COc1cc(Br)cc(C[NH2+][C@@H](C)c2nccn2C)c1O ZINC000850410635 1250471624 /nfs/dbraw/zinc/47/16/24/1250471624.db2.gz YPANEDWSYFOAQU-VIFPVBQESA-N 1 0 340.221 2.748 10 10 EFCERO OC1CCN(c2ccc(C[NH2+][C@H]3COC4(CCC4)C3)cc2F)CC1 ZINC000850426978 1250481634 /nfs/dbraw/zinc/48/16/34/1250481634.db2.gz JGYKREHEDPNPGO-OAHLLOKOSA-N 1 0 334.435 2.588 10 10 EFCERO OCC1CCN(c2ccc(C[NH2+][C@@H]3COC4(CCC4)C3)cc2)CC1 ZINC000850426189 1250481743 /nfs/dbraw/zinc/48/17/43/1250481743.db2.gz BDNZXUTVVWQBFI-SFHVURJKSA-N 1 0 330.472 2.697 10 10 EFCERO C[C@@H](CSCCF)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000850427499 1250486094 /nfs/dbraw/zinc/48/60/94/1250486094.db2.gz VRPOJVNOEWANLS-ZDUSSCGKSA-N 1 0 344.471 2.968 10 10 EFCERO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3cc4n(n3)CCC4)C2)cc1 ZINC000850485705 1250503161 /nfs/dbraw/zinc/50/31/61/1250503161.db2.gz AWYIEUNCZSFFKE-GJZGRUSLSA-N 1 0 326.444 2.767 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+][C@H](CO)C2CCC2)c1O ZINC000850487196 1250503604 /nfs/dbraw/zinc/50/36/04/1250503604.db2.gz GGRQILUMCWVUEC-TVQRCGJNSA-N 1 0 344.249 2.975 10 10 EFCERO COc1ccc(N2CC[C@@H]([NH2+][C@H]3CCCc4nn(C)cc43)C2)cc1 ZINC000850487495 1250503820 /nfs/dbraw/zinc/50/38/20/1250503820.db2.gz HEADYLWJRJQYST-KDOFPFPSSA-N 1 0 326.444 2.675 10 10 EFCERO CC[C@H]([NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1)C1(C(=O)OC)CCC1 ZINC000850486686 1250503844 /nfs/dbraw/zinc/50/38/44/1250503844.db2.gz CTICTCBQOMSHDE-QAPCUYQASA-N 1 0 346.471 2.985 10 10 EFCERO CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850487913 1250504243 /nfs/dbraw/zinc/50/42/43/1250504243.db2.gz KBHKIUYDZNGNBA-JKSUJKDBSA-N 1 0 333.476 2.511 10 10 EFCERO C[C@H]([NH2+][C@@H](CO)C1CCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000850486986 1250504290 /nfs/dbraw/zinc/50/42/90/1250504290.db2.gz DZZRPRGOZCIMFL-UGSOOPFHSA-N 1 0 338.879 2.988 10 10 EFCERO COc1ccc(N2CC[C@@H]([NH2+][C@@H]3CCCc4nn(C)cc43)C2)cc1 ZINC000850487497 1250504703 /nfs/dbraw/zinc/50/47/03/1250504703.db2.gz HEADYLWJRJQYST-RDTXWAMCSA-N 1 0 326.444 2.675 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)C2(CO)CC2)c1O ZINC000850516922 1250516630 /nfs/dbraw/zinc/51/66/30/1250516630.db2.gz ZOPLCIYIAHPTQC-NXEZZACHSA-N 1 0 344.249 2.975 10 10 EFCERO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c1 ZINC000850555671 1250533210 /nfs/dbraw/zinc/53/32/10/1250533210.db2.gz APBXDWSWZJZBBQ-GDIGMMSISA-N 1 0 346.471 2.695 10 10 EFCERO C[C@@H]([NH2+]CCN1C[C@H]2CCCCN2C1=O)c1ccc(N(C)C)cc1 ZINC000850562991 1250534948 /nfs/dbraw/zinc/53/49/48/1250534948.db2.gz QRGGZAKHIAVVCB-CRAIPNDOSA-N 1 0 330.476 2.693 10 10 EFCERO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c(O)c1 ZINC000850558423 1250535768 /nfs/dbraw/zinc/53/57/68/1250535768.db2.gz WIPUZSAXNIFCRJ-KFKAGJAMSA-N 1 0 330.472 2.995 10 10 EFCERO C[C@@H]1C[C@@H]([NH2+]CCN2C[C@@H]3CCCCN3C2=O)c2c1c(F)ccc2O ZINC000850561653 1250538159 /nfs/dbraw/zinc/53/81/59/1250538159.db2.gz KOSYJFIWFOCSCH-VNHYZAJKSA-N 1 0 347.434 2.959 10 10 EFCERO C[C@@H](CSCCF)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850568569 1250541476 /nfs/dbraw/zinc/54/14/76/1250541476.db2.gz AWIQIFODGZRXFR-AWEZNQCLSA-N 1 0 326.481 2.829 10 10 EFCERO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](c2ccccc2)[C@H](C)O)c1 ZINC000850585169 1250548739 /nfs/dbraw/zinc/54/87/39/1250548739.db2.gz WMMKEXUKMXXZSY-LXIYXOSZSA-N 1 0 329.396 2.952 10 10 EFCERO COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCCCCC[C@@H]3[NH3+])C2)cc1 ZINC000851639379 1251162795 /nfs/dbraw/zinc/16/27/95/1251162795.db2.gz DUPCMUKEMJFWAW-IPELMVKDSA-N 1 0 345.487 2.688 10 10 EFCERO COc1cccc2c1CC[C@@]2(CO)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922336029 1265593703 /nfs/dbraw/zinc/59/37/03/1265593703.db2.gz UJQLVPWYXPFMLX-NRFANRHFSA-N 1 0 339.435 2.944 10 10 EFCERO COc1ccc(C[NH2+]CC[C@H]2CCN(C(=O)c3ccc[nH]3)C2)cc1C ZINC001484508061 1252726299 /nfs/dbraw/zinc/72/62/99/1252726299.db2.gz KLYGFUJTFHIGLP-INIZCTEOSA-N 1 0 341.455 2.974 10 10 EFCERO CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc3ccccc3c2O)C1 ZINC000186109913 1254351832 /nfs/dbraw/zinc/35/18/32/1254351832.db2.gz QTFVQDSCMDLSSV-UKRRQHHQSA-N 1 0 327.428 3.000 10 10 EFCERO COc1ccc(N2CCN(CC[NH2+][C@@H](C)[C@@H]3CC3(C)C)CC2)cc1 ZINC000785435434 1257094658 /nfs/dbraw/zinc/09/46/58/1257094658.db2.gz DEVFBZWZZAOQOP-LPHOPBHVSA-N 1 0 331.504 2.841 10 10 EFCERO FC(F)(F)[C@H]1CC[C@@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)O1 ZINC000922463016 1266089953 /nfs/dbraw/zinc/08/99/53/1266089953.db2.gz QMZLZSUKPLAMBQ-JKSUJKDBSA-N 1 0 344.377 2.723 10 10 EFCERO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCc2c(O)cccc2F)C1 ZINC000921566011 1257467206 /nfs/dbraw/zinc/46/72/06/1257467206.db2.gz RLIXWECTYJKJLU-AWEZNQCLSA-N 1 0 337.439 2.699 10 10 EFCERO C[C@@H]([NH2+]Cc1cnn(CCF)c1)c1ccc(N2CCOCC2)cc1 ZINC000921593042 1257500158 /nfs/dbraw/zinc/50/01/58/1257500158.db2.gz PGMDGJWQFNFYTC-OAHLLOKOSA-N 1 0 332.423 2.540 10 10 EFCERO c1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)n(C2CCC2)n1 ZINC000921582948 1257504840 /nfs/dbraw/zinc/50/48/40/1257504840.db2.gz SCPNMNISVSEPHT-UHFFFAOYSA-N 1 0 326.444 2.735 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)C[C@H]3CCCOC3)CC2)cc1C ZINC001670899927 1257956640 /nfs/dbraw/zinc/95/66/40/1257956640.db2.gz HODRDTOIYUZTGE-QGZVFWFLSA-N 1 0 346.471 2.559 10 10 EFCERO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCCN3CCSC[C@@H]23)cc1F ZINC000922525005 1266199492 /nfs/dbraw/zinc/19/94/92/1266199492.db2.gz KVDWBCBADCNGDV-WBVHZDCISA-N 1 0 341.471 2.700 10 10 EFCERO CCCOCC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001671275349 1259615186 /nfs/dbraw/zinc/61/51/86/1259615186.db2.gz CFKDLSLPWHXPJU-KRWDZBQOSA-N 1 0 334.460 2.511 10 10 EFCERO COc1ccc(C[NH2+]C[C@]2(OC)CCSC2)cc1Cn1cccn1 ZINC000922571410 1266293982 /nfs/dbraw/zinc/29/39/82/1266293982.db2.gz SWBODLNAOUKNQG-GOSISDBHSA-N 1 0 347.484 2.552 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2cccn2C)cc1C ZINC001485850232 1262424764 /nfs/dbraw/zinc/42/47/64/1262424764.db2.gz QHNZBIOTCANUGR-OAHLLOKOSA-N 1 0 329.444 2.592 10 10 EFCERO COc1ccc(C[NH2+][C@H]2CCN(C(=O)COCC3CC3)[C@@H]2C)cc1C ZINC001486073214 1262624177 /nfs/dbraw/zinc/62/41/77/1262624177.db2.gz XOPNVGVSAMBBIV-QAPCUYQASA-N 1 0 346.471 2.509 10 10 EFCERO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921948595 1263713101 /nfs/dbraw/zinc/71/31/01/1263713101.db2.gz FACXGVPIEVAVDQ-OAHLLOKOSA-N 1 0 349.434 2.900 10 10 EFCERO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921948594 1263713565 /nfs/dbraw/zinc/71/35/65/1263713565.db2.gz FACXGVPIEVAVDQ-HNNXBMFYSA-N 1 0 349.434 2.900 10 10 EFCERO COc1ccc(N2CC[C@@H](C[NH2+]Cc3c4c(nn3C)CCC4)C2)cc1 ZINC000922197464 1264861792 /nfs/dbraw/zinc/86/17/92/1264861792.db2.gz UNPIUZZZSNPXMB-HNNXBMFYSA-N 1 0 340.471 2.534 10 10 EFCERO COc1ccc(N2CC[C@H]([NH2+]Cc3ccnn3C3CCC3)C2)cc1 ZINC000922238515 1265054726 /nfs/dbraw/zinc/05/47/26/1265054726.db2.gz UYLTWMQFZJQEHO-HNNXBMFYSA-N 1 0 326.444 2.985 10 10 EFCERO Cc1ccc(O)c(C[NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)c1 ZINC000733325985 1265170103 /nfs/dbraw/zinc/17/01/03/1265170103.db2.gz BTHFIMBVTFHIHI-ZDUSSCGKSA-N 1 0 334.441 2.923 10 10 EFCERO CN(Cc1cn(C2CCC2)nn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000825509854 1278577917 /nfs/dbraw/zinc/57/79/17/1278577917.db2.gz RKUIPUJAPRHCRN-UHFFFAOYSA-N 1 0 329.448 2.580 10 10 EFCERO COc1ccc(N2CC[NH+](CCc3ccc4c(c3)CCO4)CC2)cc1 ZINC000743835676 1270777975 /nfs/dbraw/zinc/77/79/75/1270777975.db2.gz HBRCVJSPHAEJKS-UHFFFAOYSA-N 1 0 338.451 2.995 10 10 EFCERO OC[C@@H](C[NH2+]Cc1cc(F)ccc1O)Cc1ccc(F)c(F)c1 ZINC000792193712 1278634733 /nfs/dbraw/zinc/63/47/33/1278634733.db2.gz YUKGKNGCSWFVMB-GFCCVEGCSA-N 1 0 325.330 2.750 10 10 EFCERO Cc1nc(NC(=O)[C@H](C)N2CCCc3cc(C[NH3+])ccc32)sc1C ZINC000844218878 1278793000 /nfs/dbraw/zinc/79/30/00/1278793000.db2.gz DCOGJIDVDVMUPY-LBPRGKRZSA-N 1 0 344.484 2.998 10 10 EFCERO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@H](O)c1ccc2c(c1)OCO2 ZINC000785582512 1275117842 /nfs/dbraw/zinc/11/78/42/1275117842.db2.gz FNAUEPRHGKFQDV-BUXKBTBVSA-N 1 0 327.380 2.562 10 10 EFCERO Oc1cccc(Br)c1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000707172216 1275376304 /nfs/dbraw/zinc/37/63/04/1275376304.db2.gz UUJQPFXAYGYTDS-GFCCVEGCSA-N 1 0 325.250 2.825 10 10 EFCERO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000787511728 1275790709 /nfs/dbraw/zinc/79/07/09/1275790709.db2.gz WUTGNEKIMVEAMJ-AWEZNQCLSA-N 1 0 334.460 2.657 10 10 EFCERO Cc1cc(Br)c(O)c(CN2CCC3(CC[NH2+]3)CC2)c1 ZINC000817865991 1276351480 /nfs/dbraw/zinc/35/14/80/1276351480.db2.gz RGWGLVJOPZCHEF-UHFFFAOYSA-N 1 0 325.250 2.791 10 10 EFCERO C[C@H](N[C@@H]1C[NH2+]CC[C@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000817967757 1276409864 /nfs/dbraw/zinc/40/98/64/1276409864.db2.gz LXSGSNLAHLDNET-QWQRMKEZSA-N 1 0 337.895 2.825 10 10 EFCERO C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1cc(Br)c(F)cc1[O-] ZINC000817972095 1276415598 /nfs/dbraw/zinc/41/55/98/1276415598.db2.gz SXRFMYLBGUTOHJ-RVBZMBCESA-N 1 0 331.229 2.942 10 10 EFCERO C[C@H](N[C@@H]1C[NH2+]CCC1(F)F)c1cc(Br)ccc1O ZINC000817980028 1276420110 /nfs/dbraw/zinc/42/01/10/1276420110.db2.gz HTGMXVSRJTVJPR-QPUJVOFHSA-N 1 0 335.192 2.803 10 10 EFCERO C[C@@H](N[C@@H]1CCCC[NH2+]C1)c1ccc(N2CCOCC2)cc1Cl ZINC000817984608 1276422557 /nfs/dbraw/zinc/42/25/57/1276422557.db2.gz VMCOAQLTSWYEMX-HUUCEWRRSA-N 1 0 337.895 2.969 10 10 EFCERO CCc1onc(C)c1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000922982108 1276461080 /nfs/dbraw/zinc/46/10/80/1276461080.db2.gz NIOAOZNUWSXHJH-UHFFFAOYSA-N 1 0 329.444 2.796 10 10 EFCERO C[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000818110830 1276465559 /nfs/dbraw/zinc/46/55/59/1276465559.db2.gz AXJKBTJFTVDRTR-MAUKXSAKSA-N 1 0 345.487 2.573 10 10 EFCERO COCc1cnc(C[NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000818222598 1276493458 /nfs/dbraw/zinc/49/34/58/1276493458.db2.gz VABMEHNNSJYPOG-AWEZNQCLSA-N 1 0 347.484 2.914 10 10 EFCERO CCCN(CCC)c1ccc(C[NH2+][C@@H]2CCC(=O)N(C)C2=O)cc1 ZINC000818233716 1276495617 /nfs/dbraw/zinc/49/56/17/1276495617.db2.gz NFAJIUQLTXHMLQ-QGZVFWFLSA-N 1 0 331.460 2.550 10 10 EFCERO CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3ccc(N4CCOCC4)c(F)c3)C[C@H]2C1 ZINC000818330000 1276507078 /nfs/dbraw/zinc/50/70/78/1276507078.db2.gz KQAXNTVXOWAOJA-KNCDZKKRSA-N 1 0 348.462 2.956 10 10 EFCERO O[C@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccc(F)cn1 ZINC000818964041 1276552121 /nfs/dbraw/zinc/55/21/21/1276552121.db2.gz IUJGOMATOLHOED-GOSISDBHSA-N 1 0 347.459 2.597 10 10 EFCERO COc1ccc(C[NH2+][C@]23C[C@H]2COC32CCC2)cc1Cn1cccn1 ZINC000923030985 1276558133 /nfs/dbraw/zinc/55/81/33/1276558133.db2.gz PCRNIDNABFPULP-FXAWDEMLSA-N 1 0 339.439 2.741 10 10 EFCERO Cc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc3c(c2)CCCN3C)cc1 ZINC000818985208 1276563843 /nfs/dbraw/zinc/56/38/43/1276563843.db2.gz OIIJFLXTSVNVIJ-IBGZPJMESA-N 1 0 340.467 2.907 10 10 EFCERO COc1ccc(N2CC[NH+](C[C@@H](O)C3CCCCC3)CC2)cc1F ZINC000789325790 1276657790 /nfs/dbraw/zinc/65/77/90/1276657790.db2.gz FBVPIIKGLPQARG-GOSISDBHSA-N 1 0 336.451 2.898 10 10 EFCERO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001136259104 1276895915 /nfs/dbraw/zinc/89/59/15/1276895915.db2.gz OQCCXPNVJHYORX-OKILXGFUSA-N 1 0 345.447 2.947 10 10 EFCERO CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000819755272 1276910937 /nfs/dbraw/zinc/91/09/37/1276910937.db2.gz FIXSLMGLYKEJLQ-OAHLLOKOSA-N 1 0 337.460 2.901 10 10 EFCERO Cc1cc(Cl)cc(C[N@@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000789765394 1276973190 /nfs/dbraw/zinc/97/31/90/1276973190.db2.gz OVFRINJQATVDLT-OKILXGFUSA-N 1 0 326.868 2.895 10 10 EFCERO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3cccc(O)c3O)cccc21 ZINC000790243159 1277372561 /nfs/dbraw/zinc/37/25/61/1277372561.db2.gz SDSMIFLIPWXFKV-CQSZACIVSA-N 1 0 328.368 2.735 10 10 EFCERO Cc1cc(C[N@@H+]2CCCC[C@@H]2CCS(C)(=O)=O)ccc1N(C)C ZINC000815121909 1287315579 /nfs/dbraw/zinc/31/55/79/1287315579.db2.gz ZTIIGNYBBLCSDV-QGZVFWFLSA-N 1 0 338.517 2.850 10 10 EFCERO Cc1cc(C[N@H+](C)C2CCN(c3cnccn3)CC2)ccc1N(C)C ZINC000815104058 1287325112 /nfs/dbraw/zinc/32/51/12/1287325112.db2.gz XWWWWXYNAKMRAL-UHFFFAOYSA-N 1 0 339.487 2.952 10 10 EFCERO CCN(C)c1ccc(C[NH+]2CCC(Oc3cnccn3)CC2)cc1 ZINC000815104385 1287325862 /nfs/dbraw/zinc/32/58/62/1287325862.db2.gz JHGFFJUTOBCJTD-UHFFFAOYSA-N 1 0 326.444 2.976 10 10 EFCERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792790944 1279153830 /nfs/dbraw/zinc/15/38/30/1279153830.db2.gz VMBMIWVVBRUFOD-DGCLKSJQSA-N 1 0 343.393 2.857 10 10 EFCERO COCc1ccnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000844709905 1279190965 /nfs/dbraw/zinc/19/09/65/1279190965.db2.gz WAABCEQEDUGISD-UHFFFAOYSA-N 1 0 326.444 2.592 10 10 EFCERO CO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000792931667 1279283059 /nfs/dbraw/zinc/28/30/59/1279283059.db2.gz XALNNKFYLOUVKC-WBVHZDCISA-N 1 0 336.451 2.834 10 10 EFCERO CN(C)c1ccc(C[NH2+][C@H]2CCC[C@@H](C(N)=O)C2)c(C(F)(F)F)c1 ZINC000792991858 1279319195 /nfs/dbraw/zinc/31/91/95/1279319195.db2.gz LKYBGTDDGRHOHX-YPMHNXCESA-N 1 0 343.393 2.905 10 10 EFCERO Cc1ccccc1[C@@H](CO)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000747100510 1279366593 /nfs/dbraw/zinc/36/65/93/1279366593.db2.gz IXOWPAAHIFMPJX-HXUWFJFHSA-N 1 0 326.440 2.655 10 10 EFCERO Fc1cc(CNC2CC([NH+]3CCCCC3)C2)ccc1N1CCOCC1 ZINC000793335675 1279557279 /nfs/dbraw/zinc/55/72/79/1279557279.db2.gz GEMQKTHDYAEYQV-UHFFFAOYSA-N 1 0 347.478 2.769 10 10 EFCERO CC(C)C[N@H+](C)CCCNC(=O)NCc1cc(Cl)ccc1O ZINC000845314372 1279571123 /nfs/dbraw/zinc/57/11/23/1279571123.db2.gz CCYGRCOBUKNOQE-UHFFFAOYSA-N 1 0 327.856 2.823 10 10 EFCERO COc1c[nH+]ccc1N1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000793369198 1279583790 /nfs/dbraw/zinc/58/37/90/1279583790.db2.gz DUBNLZKRYBXSSK-UHFFFAOYSA-N 1 0 344.434 2.618 10 10 EFCERO COc1cc(O)c(C[NH2+]Cc2ccnc(OC(F)F)c2)cc1OC ZINC000793624415 1279781429 /nfs/dbraw/zinc/78/14/29/1279781429.db2.gz NAYIMJVCECRXNV-UHFFFAOYSA-N 1 0 340.326 2.696 10 10 EFCERO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cc(OC)cc(C(C)(C)C)c3O)C[C@@H]21 ZINC000793642159 1279786409 /nfs/dbraw/zinc/78/64/09/1279786409.db2.gz FSRAERFWTXVAON-FOLVSLTJSA-N 1 0 333.428 2.549 10 10 EFCERO CCOc1cccc(C[NH2+]C[C@]2(CO)CCc3ccccc32)c1O ZINC000846010915 1279975473 /nfs/dbraw/zinc/97/54/73/1279975473.db2.gz KFPQFHSJWXXRSM-FQEVSTJZSA-N 1 0 327.424 2.757 10 10 EFCERO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@](C)(O)c1ccccc1 ZINC000846037143 1279996226 /nfs/dbraw/zinc/99/62/26/1279996226.db2.gz IOFYNJUSQPIOGN-UTKZUKDTSA-N 1 0 340.467 2.909 10 10 EFCERO COc1cc(Br)cc(C[NH2+]CCC2(CO)CCC2)c1O ZINC000846102994 1280035152 /nfs/dbraw/zinc/03/51/52/1280035152.db2.gz SOYVIMYGVIQZRN-UHFFFAOYSA-N 1 0 344.249 2.806 10 10 EFCERO COCC[N@@H+]1CCN(C/C=C/c2ccc(N(C)C)cc2)C(C)(C)C1 ZINC000846103378 1280035433 /nfs/dbraw/zinc/03/54/33/1280035433.db2.gz OYBPKNFNAVCUJM-VOTSOKGWSA-N 1 0 331.504 2.808 10 10 EFCERO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@H](C)c2cccc(OC)c2O)C1 ZINC000846165156 1280044574 /nfs/dbraw/zinc/04/45/74/1280044574.db2.gz SYAAAXJBTZJIFC-MCIONIFRSA-N 1 0 336.432 2.918 10 10 EFCERO C[NH2+]Cc1ccccc1CNC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000846206127 1280052925 /nfs/dbraw/zinc/05/29/25/1280052925.db2.gz VVXIOFXXCMCTKQ-ZDUSSCGKSA-N 1 0 343.427 2.681 10 10 EFCERO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCC1(C[NH3+])CC1 ZINC000846187483 1280063322 /nfs/dbraw/zinc/06/33/22/1280063322.db2.gz GJIJEKRUVGGPLR-UHFFFAOYSA-N 1 0 332.492 2.802 10 10 EFCERO COc1cccc([C@@H](C)[NH2+][C@H]2CCCc3c2ccc(=O)n3C)c1O ZINC000846217052 1280073529 /nfs/dbraw/zinc/07/35/29/1280073529.db2.gz YRSOPMBBTXBROJ-DOMZBBRYSA-N 1 0 328.412 2.828 10 10 EFCERO CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCCOC1 ZINC000872025850 1287404694 /nfs/dbraw/zinc/40/46/94/1287404694.db2.gz UVLYYUFPNQFRJA-AEFFLSMTSA-N 1 0 336.451 2.957 10 10 EFCERO COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC001144879674 1280348384 /nfs/dbraw/zinc/34/83/84/1280348384.db2.gz UFNGPAOYKAYIOB-IBGZPJMESA-N 1 0 345.487 2.607 10 10 EFCERO C/C(=C\c1cccnc1)C(=O)N1C[C@@H](C[NH+](C)C)Oc2ccccc21 ZINC000846923429 1280620021 /nfs/dbraw/zinc/62/00/21/1280620021.db2.gz RDPZXKSTDHFDQQ-GSPCDJLXSA-N 1 0 337.423 2.841 10 10 EFCERO CCN(CC)c1ccc(C[NH2+]C[C@@H](O)C[C@@](C)(O)C2CC2)cc1F ZINC000872200915 1287473244 /nfs/dbraw/zinc/47/32/44/1287473244.db2.gz ODKGRRSJSVDPNZ-QFBILLFUSA-N 1 0 338.467 2.674 10 10 EFCERO CC1CCN(c2ccc(C[NH2+]C[C@@H](O)C[C@](C)(O)C3CC3)cc2)CC1 ZINC000872200298 1287473541 /nfs/dbraw/zinc/47/35/41/1287473541.db2.gz GBJADLKJPVZTDZ-SFTDATJTSA-N 1 0 346.515 2.925 10 10 EFCERO COc1ccc(C[NH2+][C@]23CCC[C@H]2OCC3)cc1Cn1cccn1 ZINC000872264640 1287508076 /nfs/dbraw/zinc/50/80/76/1287508076.db2.gz XKSJFQMLSDSYGO-MOPGFXCFSA-N 1 0 327.428 2.741 10 10 EFCERO Cc1cc(C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)c(C)n1-c1ccccn1 ZINC000872272097 1287514590 /nfs/dbraw/zinc/51/45/90/1287514590.db2.gz BBDUTKRDNWLXFR-INIZCTEOSA-N 1 0 340.471 2.997 10 10 EFCERO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)C2(S(C)(=O)=O)CC2)c1O ZINC000808718115 1281871875 /nfs/dbraw/zinc/87/18/75/1281871875.db2.gz LZTHTSPZUCQCRE-QWRGUYRKSA-N 1 0 331.865 2.970 10 10 EFCERO C[C@@H](O)c1ncc(C[NH2+]Cc2cc(Br)ccc2O)s1 ZINC000809712599 1282421036 /nfs/dbraw/zinc/42/10/36/1282421036.db2.gz ATYSZXNKSKFCES-MRVPVSSYSA-N 1 0 343.246 2.954 10 10 EFCERO Cc1cc(Cl)cc(CN(CC[NH+](C)C)C[C@@H]2CCCO2)c1O ZINC000809737333 1282437628 /nfs/dbraw/zinc/43/76/28/1282437628.db2.gz FPJKCOZHIMNGFR-INIZCTEOSA-N 1 0 326.868 2.897 10 10 EFCERO CSCC[C@H]([NH2+]Cc1cc(Cl)cc(C)c1O)C(=O)N(C)C ZINC000809784815 1282481426 /nfs/dbraw/zinc/48/14/26/1282481426.db2.gz NXECPOJKTALPDI-ZDUSSCGKSA-N 1 0 330.881 2.654 10 10 EFCERO COCC[C@@H](COC)[NH2+]Cc1cc(Br)cc(C)c1O ZINC000811517685 1284369448 /nfs/dbraw/zinc/36/94/48/1284369448.db2.gz ZKYBYIHOVLYRAD-ZDUSSCGKSA-N 1 0 332.238 2.604 10 10 EFCERO COC(=O)c1cc(C[NH2+]Cc2ccc(N(C)C)cc2C)n(C)c1C ZINC000812756664 1285402969 /nfs/dbraw/zinc/40/29/69/1285402969.db2.gz RRABFQQWKZZKPH-UHFFFAOYSA-N 1 0 329.444 2.784 10 10 EFCERO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000813032935 1285598736 /nfs/dbraw/zinc/59/87/36/1285598736.db2.gz XTRNISZVFKKYSR-LJQANCHMSA-N 1 0 349.450 2.691 10 10 EFCERO CC[NH+](CC)CCNC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1 ZINC001135441163 1288023118 /nfs/dbraw/zinc/02/31/18/1288023118.db2.gz POGXZHRQVPWOOO-UHFFFAOYSA-N 1 0 341.455 2.978 10 10 EFCERO Oc1ccc(Br)cc1C[NH2+]Cc1cnn(CC(F)F)c1 ZINC000816608874 1288223443 /nfs/dbraw/zinc/22/34/43/1288223443.db2.gz LYOAIVBVQHTJCH-UHFFFAOYSA-N 1 0 346.175 2.906 10 10 EFCERO c1cc(N2CCOCC2)ccc1C[N@H+]1CCOC[C@H]1CC1CCC1 ZINC000816667913 1288250198 /nfs/dbraw/zinc/25/01/98/1288250198.db2.gz ZMXRHAPYLOLNQE-HXUWFJFHSA-N 1 0 330.472 2.914 10 10 EFCERO CCCN(CCC)c1ccc(C[NH2+][C@@H]2CCc3nnnn3CC2)cc1 ZINC000817419249 1288594326 /nfs/dbraw/zinc/59/43/26/1288594326.db2.gz RQMUSJMANUBJOL-QGZVFWFLSA-N 1 0 342.491 2.794 10 10 EFCERO CCOc1cccc(C[NH2+][C@H](C2CCOCC2)C2(CO)CCC2)c1O ZINC000822525152 1289008649 /nfs/dbraw/zinc/00/86/49/1289008649.db2.gz AEURONSASUGQIW-LJQANCHMSA-N 1 0 349.471 2.838 10 10 EFCERO CCN(CC)c1ccc(CNC(=O)CC[N@@H+]2CC[C@@H](F)C2)cc1F ZINC001136730560 1289323375 /nfs/dbraw/zinc/32/33/75/1289323375.db2.gz UIOAVIQGBKKFJC-OAHLLOKOSA-N 1 0 339.430 2.722 10 10 EFCERO COc1ccc(N2CCN(CC[NH2+][C@H](C)Cc3ccoc3)CC2)cc1 ZINC000823716630 1289427109 /nfs/dbraw/zinc/42/71/09/1289427109.db2.gz MFJVCCGPDBZKIY-QGZVFWFLSA-N 1 0 343.471 2.631 10 10 EFCERO Cc1ccc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C(C)C)c(O)c1O ZINC001180534981 1289552991 /nfs/dbraw/zinc/55/29/91/1289552991.db2.gz VKNWWKLMQJAIFE-GOEBONIOSA-N 1 0 332.444 2.741 10 10 EFCERO COc1cc(Br)cc(C[NH2+][C@H]2CCn3ccnc32)c1O ZINC000824521741 1289681271 /nfs/dbraw/zinc/68/12/71/1289681271.db2.gz NVAVNMVQIGMKCW-NSHDSACASA-N 1 0 338.205 2.594 10 10 EFCERO COC[C@](C)(O)CC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000824559704 1289698415 /nfs/dbraw/zinc/69/84/15/1289698415.db2.gz XRFPEDZLKNYIJL-OAHLLOKOSA-N 1 0 334.382 2.649 10 10 EFCERO COC[C@](C)(O)CC[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000824559175 1289698674 /nfs/dbraw/zinc/69/86/74/1289698674.db2.gz JFWLJVKANWGYED-HXUWFJFHSA-N 1 0 345.439 2.848 10 10 EFCERO COc1ccc(N2CC[C@@H]([NH2+]Cc3cc(OC)cnc3F)C2)cc1 ZINC000877621647 1291294678 /nfs/dbraw/zinc/29/46/78/1291294678.db2.gz YYBATQIVHSHBLC-CQSZACIVSA-N 1 0 331.391 2.606 10 10 EFCERO CCOc1ccc(O)c(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000775177672 1291408411 /nfs/dbraw/zinc/40/84/11/1291408411.db2.gz BWCWGPSLFVNRGE-UHFFFAOYSA-N 1 0 342.355 2.865 10 10 EFCERO Cc1cc(O)c(C[N@@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)cc1Cl ZINC000826043018 1291687093 /nfs/dbraw/zinc/68/70/93/1291687093.db2.gz CSVYNJBWZGSLMR-BJJXKVORSA-N 1 0 325.836 2.716 10 10 EFCERO CCOc1ccc(O)c(C[NH2+][C@H](C)[C@H]2CCCN(C(=O)OC)C2)c1 ZINC000775346267 1291990600 /nfs/dbraw/zinc/99/06/00/1291990600.db2.gz LAUTUJSMUCCPTH-KGLIPLIRSA-N 1 0 336.432 2.747 10 10 EFCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@@H](C)[C@H]1CCCO1 ZINC001273596467 1292053666 /nfs/dbraw/zinc/05/36/66/1292053666.db2.gz IORLQXKHBWNJEO-QFBILLFUSA-N 1 0 348.487 2.757 10 10 EFCERO CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)C1(C)C ZINC001191165877 1292486639 /nfs/dbraw/zinc/48/66/39/1292486639.db2.gz YWZYXLHZOTYIHF-ZWKOTPCHSA-N 1 0 347.503 2.504 10 10 EFCERO CC(C)=CC[NH2+]CCCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001276412526 1312947119 /nfs/dbraw/zinc/94/71/19/1312947119.db2.gz ZNXPGKMYHWTUCZ-UHFFFAOYSA-N 1 0 331.420 2.867 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)Cc2cccnc2)cc1C ZINC001277791493 1312957277 /nfs/dbraw/zinc/95/72/77/1312957277.db2.gz BLMHXJXEIROMPT-MRXNPFEDSA-N 1 0 341.455 2.578 10 10 EFCERO Cc1ccc(CC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000881851362 1293027960 /nfs/dbraw/zinc/02/79/60/1293027960.db2.gz JCLDTIYESRJHQC-UHFFFAOYSA-N 1 0 343.496 2.667 10 10 EFCERO CC[C@H]([NH2+]CC[S@](=O)CC)c1cc(Br)ccc1O ZINC000132474491 1293665397 /nfs/dbraw/zinc/66/53/97/1293665397.db2.gz RJYYPKROTPFGBI-SGTLLEGYSA-N 1 0 334.279 2.964 10 10 EFCERO COc1cccc(O)c1C[NH2+]CC[C@@H]1CCC2(CCOCC2)CO1 ZINC000886300675 1294833054 /nfs/dbraw/zinc/83/30/54/1294833054.db2.gz NKEXNSYEEQXICT-HNNXBMFYSA-N 1 0 335.444 2.856 10 10 EFCERO CCOc1ccc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)[C@H]3C)O2)c(O)c1 ZINC000886340515 1294874415 /nfs/dbraw/zinc/87/44/15/1294874415.db2.gz HXXOYLVPKKJBGU-XNWVLMOPSA-N 1 0 335.444 2.853 10 10 EFCERO CCOc1cccc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)[C@@H]3C)O2)c1O ZINC000886340891 1294874698 /nfs/dbraw/zinc/87/46/98/1294874698.db2.gz MZMVMHSUDSDGDL-QMYADUOMSA-N 1 0 335.444 2.853 10 10 EFCERO C[C@H]([NH2+]CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)c1ccc(N(C)C)cc1 ZINC000775835120 1294965588 /nfs/dbraw/zinc/96/55/88/1294965588.db2.gz FKIAAYPVSOVLHB-ZYSHUDEJSA-N 1 0 345.487 2.573 10 10 EFCERO C[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCO2)c1ccc(N(C)C)cc1 ZINC000775834509 1294978158 /nfs/dbraw/zinc/97/81/58/1294978158.db2.gz ULFJNADIQZHLTM-CYBMUJFWSA-N 1 0 341.411 2.771 10 10 EFCERO C[NH+](C)CC[C@H](NC(=O)N1Cc2cccc(O)c2C1)c1cccnc1 ZINC000925918349 1296886041 /nfs/dbraw/zinc/88/60/41/1296886041.db2.gz DBZZVYYHBSSEKH-KRWDZBQOSA-N 1 0 340.427 2.505 10 10 EFCERO C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000926560069 1296934874 /nfs/dbraw/zinc/93/48/74/1296934874.db2.gz QUUMHCQJIXBIAO-LAQFHYBYSA-N 1 0 340.414 2.562 10 10 EFCERO CCN(C)c1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc1 ZINC000927041382 1296981095 /nfs/dbraw/zinc/98/10/95/1296981095.db2.gz NDUJJBTVDLKHJB-PNFOFYCQSA-N 1 0 336.501 2.902 10 10 EFCERO CCOCc1cc(CNC[C@H]2C[NH2+]CCC2(F)F)ccc1OC ZINC000903955619 1313483458 /nfs/dbraw/zinc/48/34/58/1313483458.db2.gz XRPBQXPKPSBNBE-OAHLLOKOSA-N 1 0 328.403 2.566 10 10 EFCERO CN(C)c1ccc(CN(C)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000852412278 1299695052 /nfs/dbraw/zinc/69/50/52/1299695052.db2.gz PCMCPQBOAKSWNA-QGZVFWFLSA-N 1 0 332.492 2.767 10 10 EFCERO Cc1cc(C(=O)CN2CCC3(COC3)C2)c(C)n1-c1ccc(F)cn1 ZINC000852683658 1299811794 /nfs/dbraw/zinc/81/17/94/1299811794.db2.gz OOXZUVHWZPHIOV-UHFFFAOYSA-N 1 0 343.402 2.533 10 10 EFCERO c1csc(CN(C[C@@H]2C[NH2+]CCO2)c2ccc3c(c2)OCCO3)c1 ZINC000852743028 1299853048 /nfs/dbraw/zinc/85/30/48/1299853048.db2.gz RDTWZYVGYFDPRO-HNNXBMFYSA-N 1 0 346.452 2.514 10 10 EFCERO CN1CCCc2cc(CNC(=O)C[C@H]3[NH2+]Cc4ccccc43)ccc21 ZINC000852798794 1299893101 /nfs/dbraw/zinc/89/31/01/1299893101.db2.gz NYJAMLKSNGPZLU-LJQANCHMSA-N 1 0 335.451 2.920 10 10 EFCERO CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000852882435 1299925599 /nfs/dbraw/zinc/92/55/99/1299925599.db2.gz GZQARQPQZPWFJJ-UHFFFAOYSA-N 1 0 330.432 2.597 10 10 EFCERO Cc1cc(C(=O)NCC23CC(C2)C[NH2+]3)c(C)n1-c1ccc(F)cc1 ZINC000852917913 1299938565 /nfs/dbraw/zinc/93/85/65/1299938565.db2.gz UERBRLLXQRWRFA-UHFFFAOYSA-N 1 0 327.403 2.715 10 10 EFCERO Cc1cc(CC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(C)n1-c1ccccc1 ZINC000853302848 1300080231 /nfs/dbraw/zinc/08/02/31/1300080231.db2.gz KDWMQGXISUJPIK-IEBWSBKVSA-N 1 0 337.467 2.705 10 10 EFCERO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCC3=C(CCC(=O)N3)C2)c1 ZINC000853521376 1300146248 /nfs/dbraw/zinc/14/62/48/1300146248.db2.gz ZXQBAQLXCJPVCU-UHFFFAOYSA-N 1 0 330.428 2.765 10 10 EFCERO COC(=O)c1cc2ccccc2c(C[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)c1O ZINC000853566210 1300170486 /nfs/dbraw/zinc/17/04/86/1300170486.db2.gz NBRAWLNCHIWSML-JLTOFOAXSA-N 1 0 341.407 2.800 10 10 EFCERO NC(=O)c1cccc2c1CC[N@H+](Cc1cc3c(cc1O)CCCC3)C2 ZINC000853622181 1300198048 /nfs/dbraw/zinc/19/80/48/1300198048.db2.gz SXCPATAOAWVONF-UHFFFAOYSA-N 1 0 336.435 2.928 10 10 EFCERO CCC[N@H+](C)CC(C)(C)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000853776662 1300272952 /nfs/dbraw/zinc/27/29/52/1300272952.db2.gz UKGYIQUZVXYJJS-UHFFFAOYSA-N 1 0 344.503 2.982 10 10 EFCERO CCN(C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)[C@H]1CC[N@H+](C)C1 ZINC000854176191 1300461516 /nfs/dbraw/zinc/46/15/16/1300461516.db2.gz BZOIDEWWQQVKAW-APWZRJJASA-N 1 0 346.519 2.728 10 10 EFCERO CCN(C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)[C@H]1CC[N@H+](C)C1 ZINC000854176195 1300462278 /nfs/dbraw/zinc/46/22/78/1300462278.db2.gz BZOIDEWWQQVKAW-LPHOPBHVSA-N 1 0 346.519 2.728 10 10 EFCERO CCN(C)c1ccc(C[N@H+](C)Cc2ccc(C(=O)OC)cn2)cc1 ZINC000859333105 1301436439 /nfs/dbraw/zinc/43/64/39/1301436439.db2.gz WMSGSWSIECDZBK-UHFFFAOYSA-N 1 0 327.428 2.956 10 10 EFCERO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@@H]2CCC[N@H+]2C)c1 ZINC000859362239 1301442962 /nfs/dbraw/zinc/44/29/62/1301442962.db2.gz SXSOFRKEOLDYHT-IBGZPJMESA-N 1 0 339.439 2.731 10 10 EFCERO Cc1cc(C[NH+]2CCC(C)(N3CCOCC3)CC2)ccc1N(C)C ZINC000859777947 1301575790 /nfs/dbraw/zinc/57/57/90/1301575790.db2.gz BETNIKPNJACPKQ-UHFFFAOYSA-N 1 0 331.504 2.748 10 10 EFCERO CCN(CC)c1ccc(CNC(=O)N[C@H]2CC[NH2+]C23CCC3)cc1F ZINC000861573419 1302157047 /nfs/dbraw/zinc/15/70/47/1302157047.db2.gz HJVYVFKFEWIDRV-KRWDZBQOSA-N 1 0 348.466 2.756 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](NC(=O)C2=COCCC2)C2CC2)cc1C ZINC001276552162 1313818521 /nfs/dbraw/zinc/81/85/21/1313818521.db2.gz CMQIXGDBBGDUFH-SFHVURJKSA-N 1 0 344.455 2.682 10 10 EFCERO CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000861662297 1302187286 /nfs/dbraw/zinc/18/72/86/1302187286.db2.gz SHGXDSMYIDOLSF-GOSISDBHSA-N 1 0 344.503 2.959 10 10 EFCERO CCOC(=O)c1cccc(C[NH2+]Cc2ccc(N(C)C)cc2C)n1 ZINC000862279625 1302327352 /nfs/dbraw/zinc/32/73/52/1302327352.db2.gz RFUIPVHNWSKZOG-UHFFFAOYSA-N 1 0 327.428 2.923 10 10 EFCERO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2c(O)cccc2Br)C1 ZINC000862352293 1302341597 /nfs/dbraw/zinc/34/15/97/1302341597.db2.gz CMTYJAMUXGCUGI-MNOVXSKESA-N 1 0 342.233 2.976 10 10 EFCERO CC(C)[N@@H+](Cc1c(O)cccc1Br)C[C@H]1CCC(=O)N1 ZINC000862395287 1302367376 /nfs/dbraw/zinc/36/73/76/1302367376.db2.gz ZCRCRHNZEUKCAK-LLVKDONJSA-N 1 0 341.249 2.644 10 10 EFCERO CCOC(=O)C1=CC[C@H]([NH2+]Cc2c(O)cccc2Br)C1 ZINC000862490059 1302400690 /nfs/dbraw/zinc/40/06/90/1302400690.db2.gz VXUALCONSDIOLQ-NSHDSACASA-N 1 0 340.217 2.896 10 10 EFCERO CC(=O)c1cc(F)cc(CN2CCC[C@@H](C[NH3+])[C@H]2C(F)(F)F)c1O ZINC000863559363 1302650263 /nfs/dbraw/zinc/65/02/63/1302650263.db2.gz LVEQOWYGYICVEB-BONVTDFDSA-N 1 0 348.340 2.836 10 10 EFCERO C[C@@H]1CC[C@H](NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[NH2+]1 ZINC000863649930 1302669911 /nfs/dbraw/zinc/66/99/11/1302669911.db2.gz KRZBIQITXQOFMW-ZBFHGGJFSA-N 1 0 332.448 2.815 10 10 EFCERO CC[C@@H]1[C@@H](C(=O)NC2CCN(c3ccc(OC)cc3)CC2)CC[N@@H+]1C ZINC000865116419 1303167913 /nfs/dbraw/zinc/16/79/13/1303167913.db2.gz VTBZYUSPMVYFSE-RBUKOAKNSA-N 1 0 345.487 2.511 10 10 EFCERO c1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c2c(c1)COCC2 ZINC000865725267 1303378837 /nfs/dbraw/zinc/37/88/37/1303378837.db2.gz GOUOKXYXJLGSFP-UHFFFAOYSA-N 1 0 338.451 2.886 10 10 EFCERO CN(C)c1ccc(/C=C\C[NH2+]C[C@H]2CC3(CO2)CCOCC3)cc1 ZINC000865779864 1303397932 /nfs/dbraw/zinc/39/79/32/1303397932.db2.gz QEFPXDQNMUOMBC-ZRHASKPBSA-N 1 0 330.472 2.941 10 10 EFCERO CN1Cc2ccccc2[C@@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000865805968 1303410013 /nfs/dbraw/zinc/41/00/13/1303410013.db2.gz DWITVZQDBDVYTE-NRFANRHFSA-N 1 0 337.467 2.800 10 10 EFCERO C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)C1(S(C)(=O)=O)CC1 ZINC000796492518 1303566878 /nfs/dbraw/zinc/56/68/78/1303566878.db2.gz TVTYFXBWJOFMMA-OAHLLOKOSA-N 1 0 336.501 2.732 10 10 EFCERO C[C@@H]1C[C@@H]([NH2+]Cc2ccnc(-n3cncn3)c2)c2c1c(F)ccc2O ZINC000866432893 1303637687 /nfs/dbraw/zinc/63/76/87/1303637687.db2.gz FGFXILKDFGCOGE-BXUZGUMPSA-N 1 0 339.374 2.845 10 10 EFCERO Cc1cc(C(=O)CN2CC[C@@H]3C[N@@H+](C)C[C@@H]32)c(C)n1-c1ccccc1 ZINC000794954170 1303806671 /nfs/dbraw/zinc/80/66/71/1303806671.db2.gz MOPOKQVBTOHVLK-XLIONFOSSA-N 1 0 337.467 2.913 10 10 EFCERO C[C@H](NC(=O)Nc1ccc2c(c1)OCC[NH2+]C2)c1ccccc1O ZINC000868173308 1304170524 /nfs/dbraw/zinc/17/05/24/1304170524.db2.gz SYHLEQBOSRNZRT-LBPRGKRZSA-N 1 0 327.384 2.757 10 10 EFCERO COc1cccc(CNC(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)c1O ZINC000868186793 1304177637 /nfs/dbraw/zinc/17/76/37/1304177637.db2.gz STRAWAXPFQKDGP-LSDHHAIUSA-N 1 0 327.384 2.537 10 10 EFCERO COC1CC[NH+](C(C)(C)CNC(=O)N[C@@H](C)c2ccccc2O)CC1 ZINC000868224351 1304196082 /nfs/dbraw/zinc/19/60/82/1304196082.db2.gz GVBTXBQYERNNRA-AWEZNQCLSA-N 1 0 349.475 2.642 10 10 EFCERO CCN(CC)c1ccc(CNC(=O)CCC23CC(C2)C[NH2+]3)cc1F ZINC000870883571 1305654167 /nfs/dbraw/zinc/65/41/67/1305654167.db2.gz BLKXKJRAOMAITP-UHFFFAOYSA-N 1 0 333.451 2.820 10 10 EFCERO COCCCC(=O)N1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@@H]1C ZINC001278348183 1314211770 /nfs/dbraw/zinc/21/17/70/1314211770.db2.gz WAKAWEVIGZWIKT-DOTOQJQBSA-N 1 0 334.460 2.509 10 10 EFCERO COCCCC(=O)N1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@H]1C ZINC001278348189 1314211990 /nfs/dbraw/zinc/21/19/90/1314211990.db2.gz WAKAWEVIGZWIKT-WBVHZDCISA-N 1 0 334.460 2.509 10 10 EFCERO CN1CCCc2cc(CNC(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)ccc21 ZINC000900434172 1308160409 /nfs/dbraw/zinc/16/04/09/1308160409.db2.gz XEJNNZQQITVEFI-MJGOQNOKSA-N 1 0 327.472 2.702 10 10 EFCERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000901133791 1309569597 /nfs/dbraw/zinc/56/95/97/1309569597.db2.gz DXJRGYFPFKCTRS-AAEUAGOBSA-N 1 0 346.452 2.869 10 10 EFCERO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)c2n[nH]cc2F)cc1C ZINC001277290452 1311932618 /nfs/dbraw/zinc/93/26/18/1311932618.db2.gz JRDQLTQLMVOLRX-ZDUSSCGKSA-N 1 0 348.422 2.554 10 10 EFCERO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[C@@H]4[C@H]5OCC[C@H]5[C@@H]43)C2)cc1 ZINC000903046796 1312307811 /nfs/dbraw/zinc/30/78/11/1312307811.db2.gz AWNRDJIOFSORHD-GYDQMFFNSA-N 1 0 328.456 2.677 10 10 EFCERO C[C@H]([NH2+]CC1CCC(S(C)(=O)=O)CC1)c1cc(F)ccc1O ZINC000903155439 1312415412 /nfs/dbraw/zinc/41/54/12/1312415412.db2.gz XRVCPCFLNAENHX-DCBWTQNWSA-N 1 0 329.437 2.785 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCN(C)[C@H]2C)c1O ZINC000903300146 1312550710 /nfs/dbraw/zinc/55/07/10/1312550710.db2.gz HDKYLPKSMGTRCT-OUJBWJOFSA-N 1 0 343.265 2.907 10 10 EFCERO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000903301401 1312551724 /nfs/dbraw/zinc/55/17/24/1312551724.db2.gz QNPHXWJKJYJJPG-IYOUNJFTSA-N 1 0 337.895 2.920 10 10 EFCERO COc1ccc(C[NH2+][C@H](CCNC(=O)c2cn[nH]c2)C(C)C)cc1C ZINC001277554825 1312554957 /nfs/dbraw/zinc/55/49/57/1312554957.db2.gz FSWLOUFJXVEEKR-QGZVFWFLSA-N 1 0 344.459 2.661 10 10 EFCERO C[C@@H]1C[C@@H]([NH2+]CC2(C3(O)CCOCC3)CC2)c2c1c(F)ccc2O ZINC000903346463 1312586215 /nfs/dbraw/zinc/58/62/15/1312586215.db2.gz HJQDFWODRZEHAU-TZMCWYRMSA-N 1 0 335.419 2.991 10 10 EFCERO CC[C@H](CNC(=O)C(=O)C(C)(C)C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001318505831 1328622947 /nfs/dbraw/zinc/62/29/47/1328622947.db2.gz APGDSZASANHGSA-OAHLLOKOSA-N 1 0 334.460 2.603 10 10 EFCERO CC[C@@H](CNC(=O)C1CCC(O)CC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001318520472 1328627006 /nfs/dbraw/zinc/62/70/06/1328627006.db2.gz ZEYLBNQIFBBDHM-ADKAHSJRSA-N 1 0 348.487 2.539 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H](OC)C(C)C)C2)cc1C ZINC001264430501 1316616241 /nfs/dbraw/zinc/61/62/41/1316616241.db2.gz DCBMPDOZXFQYHH-LNLFQRSKSA-N 1 0 348.487 2.659 10 10 EFCERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2cscn2)C2CC2)cc1C ZINC001265347219 1316786962 /nfs/dbraw/zinc/78/69/62/1316786962.db2.gz AXZQQFGTKQFJHA-HNNXBMFYSA-N 1 0 345.468 2.758 10 10 EFCERO COC[C@H](C)[C@@H](C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001265481667 1316812100 /nfs/dbraw/zinc/81/21/00/1316812100.db2.gz QTWRFZGMFGPYMU-MVJTYMMSSA-N 1 0 348.487 2.659 10 10 EFCERO CCC[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001265636136 1316839391 /nfs/dbraw/zinc/83/93/91/1316839391.db2.gz FCPTXXVRUTZVMN-ZDUSSCGKSA-N 1 0 331.420 2.701 10 10 EFCERO COc1ccc(C[NH2+]C2CCC(NC(=O)[C@H](O)C(C)C)CC2)cc1C ZINC001265734101 1316868533 /nfs/dbraw/zinc/86/85/33/1316868533.db2.gz NIZYQHYUONSMLE-FAFZWHIHSA-N 1 0 348.487 2.538 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H](C)c2cccnc2)cc1C ZINC001265851928 1316892834 /nfs/dbraw/zinc/89/28/34/1316892834.db2.gz UNWFGPDHZWBDSD-JKSUJKDBSA-N 1 0 341.455 2.797 10 10 EFCERO C[C@H](F)CC[NH2+]C[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001266039813 1316968206 /nfs/dbraw/zinc/96/82/06/1316968206.db2.gz BFFJRCSVRPKKGC-STQMWFEESA-N 1 0 349.410 2.649 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@@]2(C)CCCOC2)cc1C ZINC001266181200 1317127745 /nfs/dbraw/zinc/12/77/45/1317127745.db2.gz XKTJHDNIOKUVTI-JXFKEZNVSA-N 1 0 348.487 2.805 10 10 EFCERO CCc1cc(C(=O)NCC[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)[nH]n1 ZINC001281695687 1318549080 /nfs/dbraw/zinc/54/90/80/1318549080.db2.gz DYGIFIDOMYBVAM-AWEZNQCLSA-N 1 0 344.459 2.587 10 10 EFCERO COC[C@H](C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001319122344 1328782974 /nfs/dbraw/zinc/78/29/74/1328782974.db2.gz CHFLJROUATWRHT-CRAIPNDOSA-N 1 0 348.487 2.757 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2ncccc2C)cc1C ZINC001319172257 1328796427 /nfs/dbraw/zinc/79/64/27/1328796427.db2.gz IAVJSQYZGDLSCU-AWEZNQCLSA-N 1 0 341.455 2.863 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2ccncc2C)cc1C ZINC001319182879 1328799592 /nfs/dbraw/zinc/79/95/92/1328799592.db2.gz XWQQTUJEHFYZSX-CQSZACIVSA-N 1 0 341.455 2.863 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@H]2CCC2(F)F)cc1C ZINC001319202315 1328806160 /nfs/dbraw/zinc/80/61/60/1328806160.db2.gz OMVQMHYEGQTZDV-IUODEOHRSA-N 1 0 340.414 2.891 10 10 EFCERO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)[C@@]2(C)CCOC2)cc1C ZINC001283258907 1319478129 /nfs/dbraw/zinc/47/81/29/1319478129.db2.gz CYSISMMZDQSNQP-UZLBHIALSA-N 1 0 348.487 2.805 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)CCc2ccon2)cc1C ZINC001283642124 1319919772 /nfs/dbraw/zinc/91/97/72/1319919772.db2.gz LVLBBNXSVMSJTC-HNNXBMFYSA-N 1 0 345.443 2.561 10 10 EFCERO COCCCCC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@H]1C ZINC001283867417 1320061279 /nfs/dbraw/zinc/06/12/79/1320061279.db2.gz UCMJILZZYSVJPT-AEFFLSMTSA-N 1 0 348.487 2.899 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)c2ccccn2)cc1C ZINC001319415318 1328877531 /nfs/dbraw/zinc/87/75/31/1328877531.db2.gz BEOUSBAQQPTEMQ-HNNXBMFYSA-N 1 0 327.428 2.649 10 10 EFCERO CC/C=C(/F)C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC001290319734 1321898281 /nfs/dbraw/zinc/89/82/81/1321898281.db2.gz ZHLIEOSHAHEWST-BLLMUTORSA-N 1 0 349.450 2.587 10 10 EFCERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2cnco2)C(C)C)cc1C ZINC001319930659 1329038584 /nfs/dbraw/zinc/03/85/84/1329038584.db2.gz WSTCYAPVIWBWAL-HNNXBMFYSA-N 1 0 331.416 2.536 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2ccncc2Cl)cc1C ZINC001491588723 1323729086 /nfs/dbraw/zinc/72/90/86/1323729086.db2.gz CYWWQIIXXOGGHQ-ZDUSSCGKSA-N 1 0 347.846 2.960 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2sc(C)nc2C)cc1C ZINC001491665041 1323815157 /nfs/dbraw/zinc/81/51/57/1323815157.db2.gz PGHABBZIELZVOS-LBPRGKRZSA-N 1 0 347.484 2.985 10 10 EFCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)Cc2cccnc2)cc1C ZINC001320387191 1329121427 /nfs/dbraw/zinc/12/14/27/1329121427.db2.gz ROPUIPMHXOWELK-MRXNPFEDSA-N 1 0 341.455 2.626 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@@H]2CCCOCC2)cc1C ZINC001492013710 1324132780 /nfs/dbraw/zinc/13/27/80/1324132780.db2.gz OUCDWXLIJRCGLK-SJLPKXTDSA-N 1 0 348.487 2.805 10 10 EFCERO COC(=O)/C=C/c1ccc(N2CCC[C@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000749391265 1324657751 /nfs/dbraw/zinc/65/77/51/1324657751.db2.gz CGNYZNDMYKEBEU-LOWQCSRCSA-N 1 0 347.415 2.559 10 10 EFCERO CCc1nnc(N(C)Cc2ccccc2O)n1CC[N@@H+]1CCC[C@H]1C ZINC001306080337 1324697724 /nfs/dbraw/zinc/69/77/24/1324697724.db2.gz JWFRPMGXPHARJW-OAHLLOKOSA-N 1 0 343.475 2.667 10 10 EFCERO CCOc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nc(C)n1 ZINC001307198157 1324749620 /nfs/dbraw/zinc/74/96/20/1324749620.db2.gz JAAMLDJUEOPVCX-UHFFFAOYSA-N 1 0 341.459 2.548 10 10 EFCERO Cc1cc(C[N@@H+]2C[C@@H](CO)OC(C)(C)C2)ccc1N1CCCCC1 ZINC001307856768 1324783694 /nfs/dbraw/zinc/78/36/94/1324783694.db2.gz KQGGKWMFFPICGG-SFHVURJKSA-N 1 0 332.488 2.957 10 10 EFCERO Cc1cc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)ccc1N1CCCCC1 ZINC001308056650 1324791464 /nfs/dbraw/zinc/79/14/64/1324791464.db2.gz MCRBJAQWPYBYPD-VQTJNVASSA-N 1 0 343.515 2.626 10 10 EFCERO c1nn(-c2cc[nH+]cc2)cc1NCc1ccc(N2CCOCC2)cc1 ZINC001308242000 1324804088 /nfs/dbraw/zinc/80/40/88/1324804088.db2.gz BBPPYEPWHPCMRN-UHFFFAOYSA-N 1 0 335.411 2.716 10 10 EFCERO CCc1nc[nH]c1C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001320623435 1329180103 /nfs/dbraw/zinc/18/01/03/1329180103.db2.gz SYTUJBWJSNEHCC-AWEZNQCLSA-N 1 0 344.459 2.587 10 10 EFCERO C[N@@H+](C/C=C/Cl)CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001316866992 1324994284 /nfs/dbraw/zinc/99/42/84/1324994284.db2.gz FSRGTAIFWJXNKG-JECIBBIKSA-N 1 0 337.811 2.653 10 10 EFCERO COc1ccc(C[NH2+][C@H](CNC(=O)[C@H]2CC2(F)F)C2CC2)cc1C ZINC001317012275 1325481399 /nfs/dbraw/zinc/48/13/99/1325481399.db2.gz IEZYIMSXLMYXIU-HUUCEWRRSA-N 1 0 338.398 2.643 10 10 EFCERO CCO[C@H](CC)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001317103398 1325570451 /nfs/dbraw/zinc/57/04/51/1325570451.db2.gz NQSVSMKXTNTMBF-IXDOHACOSA-N 1 0 334.460 2.556 10 10 EFCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)c2cscn2)cc1C ZINC001321002963 1329330279 /nfs/dbraw/zinc/33/02/79/1329330279.db2.gz ZNFMZJXRUHDNIG-ARJAWSKDSA-N 1 0 331.441 2.536 10 10 EFCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)c2ncccc2C)cc1C ZINC001321015772 1329331625 /nfs/dbraw/zinc/33/16/25/1329331625.db2.gz YANJSDNSIINKFT-SNAWJCMRSA-N 1 0 339.439 2.783 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2ccncc2C)cc1C ZINC001317240715 1327781573 /nfs/dbraw/zinc/78/15/73/1327781573.db2.gz ZJBBVFONSHYWOO-OAHLLOKOSA-N 1 0 327.428 2.615 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)C2C=CC=CC=C2)cc1C ZINC001317245099 1327786216 /nfs/dbraw/zinc/78/62/16/1327786216.db2.gz OSSQUGWWYZYJAT-INIZCTEOSA-N 1 0 326.440 2.896 10 10 EFCERO CCc1nc(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)c(C)o1 ZINC001317275352 1327811889 /nfs/dbraw/zinc/81/18/89/1327811889.db2.gz IWHXWMHRKMAKLZ-CYBMUJFWSA-N 1 0 345.443 2.771 10 10 EFCERO COc1ccsc1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001317281313 1327817489 /nfs/dbraw/zinc/81/74/89/1327817489.db2.gz WHGNITFBHFHYGB-CYBMUJFWSA-N 1 0 348.468 2.982 10 10 EFCERO CC[C@@H](C)C[NH2+][C@H](C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001317416971 1327967818 /nfs/dbraw/zinc/96/78/18/1327967818.db2.gz DPOKXNUQJVVURU-CHWSQXEVSA-N 1 0 333.436 2.993 10 10 EFCERO CC(C)=CC[NH2+][C@H](C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001317418430 1327971594 /nfs/dbraw/zinc/97/15/94/1327971594.db2.gz WLZPYVXDIRPXOU-CYBMUJFWSA-N 1 0 331.420 2.913 10 10 EFCERO CC[C@H]([NH2+]CCOCCCO)c1cc(Br)ccc1O ZINC001321856080 1329413069 /nfs/dbraw/zinc/41/30/69/1329413069.db2.gz FUVLHWDBAVUWNN-ZDUSSCGKSA-N 1 0 332.238 2.594 10 10 EFCERO CN1CCN(c2ccc(C[N@@H+]3CCCCC[C@H]3CCO)cc2F)CC1 ZINC001322316260 1329446476 /nfs/dbraw/zinc/44/64/76/1329446476.db2.gz WHQJZPFDLANSOY-SFHVURJKSA-N 1 0 349.494 2.705 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](NC(=O)c2cc[nH]c2C)C2CC2)cc1C ZINC001322975707 1329502083 /nfs/dbraw/zinc/50/20/83/1329502083.db2.gz NXMSVFXKFHZFAB-SFHVURJKSA-N 1 0 341.455 2.938 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)c3ccoc3C)CC2)cc1C ZINC001323385599 1329539864 /nfs/dbraw/zinc/53/98/64/1329539864.db2.gz WOXPEDBAXSFDLR-UHFFFAOYSA-N 1 0 328.412 2.957 10 10 EFCERO CC(C)C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001324286657 1329613998 /nfs/dbraw/zinc/61/39/98/1329613998.db2.gz RGKVHYALAIYSAN-OAHLLOKOSA-N 1 0 331.420 2.699 10 10 EFCERO O=[S@](CC[NH2+]Cc1ccc(N2CCCC2)cc1)CC(F)(F)F ZINC001327198222 1330440400 /nfs/dbraw/zinc/44/04/00/1330440400.db2.gz HLKSDCVOOFXURH-JOCHJYFZSA-N 1 0 334.407 2.687 10 10 EFCERO CS(=O)(=O)CC1(CC[NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC001327832875 1330520202 /nfs/dbraw/zinc/52/02/02/1330520202.db2.gz VWMHJMQEBHLKJL-UHFFFAOYSA-N 1 0 336.501 2.591 10 10 EFCERO COC(=O)c1cccc(C[NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC001328246577 1330574289 /nfs/dbraw/zinc/57/42/89/1330574289.db2.gz DYBGZYBLBXHJGY-QGZVFWFLSA-N 1 0 340.423 2.850 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2conc2C)cc1C ZINC001328401973 1330589755 /nfs/dbraw/zinc/58/97/55/1330589755.db2.gz FRNQLHIVMFNAEU-ZDUSSCGKSA-N 1 0 331.416 2.598 10 10 EFCERO Cc1cc(O)c(C[NH2+]CCN2C(=O)COc3ccccc32)c(Cl)c1 ZINC001328660515 1330613127 /nfs/dbraw/zinc/61/31/27/1330613127.db2.gz YNEZTSFJXRLQAV-UHFFFAOYSA-N 1 0 346.814 2.869 10 10 EFCERO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccc([S@](C)=O)cc3)C2)cc1 ZINC001329547839 1330718080 /nfs/dbraw/zinc/71/80/80/1330718080.db2.gz HBIHTTVAMDJNTN-GYCJOSAFSA-N 1 0 344.480 2.801 10 10 EFCERO CC(C)C[NH2+]C[C@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001330707699 1330765261 /nfs/dbraw/zinc/76/52/61/1330765261.db2.gz HGZPLXICJAKOIK-NNUKFRKNSA-N 1 0 331.420 2.603 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C2CC(F)(F)C2)cc1C ZINC001331425350 1330836430 /nfs/dbraw/zinc/83/64/30/1330836430.db2.gz ZCKWYABEJJMATB-ZDUSSCGKSA-N 1 0 340.414 2.985 10 10 EFCERO CCCCOCC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@H]1C ZINC001331869777 1330883460 /nfs/dbraw/zinc/88/34/60/1330883460.db2.gz MCNGQBYPSYVDFO-AEFFLSMTSA-N 1 0 348.487 2.899 10 10 EFCERO CNC(=O)C[C@H]([NH2+]Cc1cc(C)cc(OC)c1O)c1ccccc1 ZINC001332004802 1330903223 /nfs/dbraw/zinc/90/32/23/1330903223.db2.gz OJKSOPZUMHHWIB-INIZCTEOSA-N 1 0 328.412 2.676 10 10 EFCERO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001333086878 1331075887 /nfs/dbraw/zinc/07/58/87/1331075887.db2.gz WEXRCGWRKRGFFU-VXGBXAGGSA-N 1 0 334.441 2.915 10 10 EFCERO CN(C)c1ccc(/C=C\C[N@@H+]2C[C@@H](O)CC3(CCOCC3)C2)cc1 ZINC001333735017 1331204521 /nfs/dbraw/zinc/20/45/21/1331204521.db2.gz VSDBHGAWRMGHEL-LLHWWHOWSA-N 1 0 330.472 2.629 10 10 EFCERO CN1CCN(c2ccc(C[N@@H+]3CC[C@@H]([C@@H]4CCCO4)C3)cc2F)CC1 ZINC001333736162 1331205224 /nfs/dbraw/zinc/20/52/24/1331205224.db2.gz RCITUXOIFNTJDJ-XLIONFOSSA-N 1 0 347.478 2.578 10 10 EFCERO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001346792959 1332689679 /nfs/dbraw/zinc/68/96/79/1332689679.db2.gz URUXSORFJTVLRN-BHYGNILZSA-N 1 0 331.460 2.654 10 10 EFCERO C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCCCSc3nccs3)C[N@@H+]2C1 ZINC001347650175 1332763146 /nfs/dbraw/zinc/76/31/46/1332763146.db2.gz KIHQOAJPQGBUQV-MGPQQGTHSA-N 1 0 339.530 2.862 10 10 EFCERO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCCCSc3nccs3)C[N@@H+]2C1 ZINC001347650174 1332763386 /nfs/dbraw/zinc/76/33/86/1332763386.db2.gz KIHQOAJPQGBUQV-MCIONIFRSA-N 1 0 339.530 2.862 10 10 EFCERO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001349507180 1332962704 /nfs/dbraw/zinc/96/27/04/1332962704.db2.gz NZQAUSBAVKEAIL-YTQUADARSA-N 1 0 344.503 2.624 10 10 EFCERO CN1CCN(c2ccc(C[NH+]3CC(Cc4ccco4)C3)cc2F)CC1 ZINC001351626851 1333259573 /nfs/dbraw/zinc/25/95/73/1333259573.db2.gz CBAPHLSBYQJKSQ-UHFFFAOYSA-N 1 0 343.446 2.845 10 10 EFCERO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000847408879 1333672446 /nfs/dbraw/zinc/67/24/46/1333672446.db2.gz FKMOSUIZIZWYNB-MAEOIBBWSA-N 1 0 332.492 2.624 10 10 EFCERO C[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CC[N@@H+]1C1CCCC1 ZINC001352970927 1333839038 /nfs/dbraw/zinc/83/90/38/1333839038.db2.gz UONXZZLVAUDTST-ZDUSSCGKSA-N 1 0 343.431 2.938 10 10 EFCERO CCCCCC[N@H+](C)CC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC001300633412 1334344169 /nfs/dbraw/zinc/34/41/69/1334344169.db2.gz IPNPKPVYZQOZCY-QGZVFWFLSA-N 1 0 347.503 2.902 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+]C2CCOCC2)c1O ZINC000848521999 1334771533 /nfs/dbraw/zinc/77/15/33/1334771533.db2.gz TWOVGAOOOKOPOI-SECBINFHSA-N 1 0 330.222 2.993 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+]C2CCN(C)CC2)c1O ZINC000848522541 1334771962 /nfs/dbraw/zinc/77/19/62/1334771962.db2.gz WKNVPSLZMARPTM-SNVBAGLBSA-N 1 0 343.265 2.908 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@](C)(O)C2CC2)c1O ZINC000848527448 1334775311 /nfs/dbraw/zinc/77/53/11/1334775311.db2.gz AXCHLZJVOQRTQF-RFAUZJTJSA-N 1 0 344.249 2.975 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+]CC2(C)COC2)c1O ZINC000848530920 1334777615 /nfs/dbraw/zinc/77/76/15/1334777615.db2.gz KWSLQJIKFNOACB-VIFPVBQESA-N 1 0 330.222 2.850 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+]CC2(C)COC2)c1O ZINC000848530918 1334777773 /nfs/dbraw/zinc/77/77/73/1334777773.db2.gz KWSLQJIKFNOACB-SECBINFHSA-N 1 0 330.222 2.850 10 10 EFCERO CC[C@@H](O)CC[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848532917 1334780080 /nfs/dbraw/zinc/78/00/80/1334780080.db2.gz MNJXVNPMTMTNHF-GXSJLCMTSA-N 1 0 332.238 2.975 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+]CCn2cccn2)c1O ZINC000848534398 1334780369 /nfs/dbraw/zinc/78/03/69/1334780369.db2.gz ZLNOFIVJKBVHEN-JTQLQIEISA-N 1 0 340.221 2.711 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+][C@H](CO)CC2CC2)c1O ZINC000848536638 1334783332 /nfs/dbraw/zinc/78/33/32/1334783332.db2.gz SAOPGQWODPARAW-SKDRFNHKSA-N 1 0 344.249 2.975 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+]CC2(CO)CCC2)c1O ZINC000848543246 1334785816 /nfs/dbraw/zinc/78/58/16/1334785816.db2.gz CDKUSJYNMIDHKE-JTQLQIEISA-N 1 0 344.249 2.977 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)CN(C)C)c1O ZINC000848550773 1334790581 /nfs/dbraw/zinc/79/05/81/1334790581.db2.gz WFCCWZVRHKLCSI-UWVGGRQHSA-N 1 0 331.254 2.764 10 10 EFCERO CC[C@H]([NH2+][C@H](C)c1cc(Br)cc(OC)c1O)[C@H](C)O ZINC000848553890 1334791782 /nfs/dbraw/zinc/79/17/82/1334791782.db2.gz OHFWGRIRNFZDLE-PTRXPTGYSA-N 1 0 332.238 2.973 10 10 EFCERO c1cc(N2CCOCC2)ccc1C[NH2+][C@H](C1CC1)[C@H]1CCCCO1 ZINC000848560318 1334795011 /nfs/dbraw/zinc/79/50/11/1334795011.db2.gz LAFNECGIEXXLMU-WOJBJXKFSA-N 1 0 330.472 2.961 10 10 EFCERO C[C@H]([NH2+]C[C@H]1CN(C2CC2)C(=O)O1)c1cc2c(cc1O)CCCC2 ZINC000848573437 1334801508 /nfs/dbraw/zinc/80/15/08/1334801508.db2.gz ZUTMMBGOFWLCJI-LRDDRELGSA-N 1 0 330.428 2.905 10 10 EFCERO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)cc1F ZINC000848577919 1334804413 /nfs/dbraw/zinc/80/44/13/1334804413.db2.gz RSXQYPNARVICGP-OAHLLOKOSA-N 1 0 335.423 2.745 10 10 EFCERO CN(C)c1ccc(CN[C@H](C[NH3+])C(F)(F)F)c(C(F)(F)F)c1 ZINC000848713949 1334856296 /nfs/dbraw/zinc/85/62/96/1334856296.db2.gz AACPAZCKCKPUML-LLVKDONJSA-N 1 0 329.288 2.751 10 10 EFCERO CC1CCN(c2ccc(CNC(=[NH2+])N3CCO[C@@H](C)C3)cc2)CC1 ZINC000849094449 1335074787 /nfs/dbraw/zinc/07/47/87/1335074787.db2.gz IYVSNYMWPFVZKQ-INIZCTEOSA-N 1 0 330.476 2.668 10 10 EFCERO CC1CCN(c2ccc(CNC(=[NH2+])N3CCO[C@H](C)C3)cc2)CC1 ZINC000849094450 1335074887 /nfs/dbraw/zinc/07/48/87/1335074887.db2.gz IYVSNYMWPFVZKQ-MRXNPFEDSA-N 1 0 330.476 2.668 10 10 EFCERO COc1ccc([C@@H]2CCNC[C@@H]2[NH2+]Cc2cccc(OC)c2O)cc1 ZINC000849350051 1335596463 /nfs/dbraw/zinc/59/64/63/1335596463.db2.gz OGDHYUQOYXKNOG-ROUUACIJSA-N 1 0 342.439 2.645 10 10 EFCERO CC[C@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001506907275 1406425857 /nfs/dbraw/zinc/42/58/57/1406425857.db2.gz PUGWJNRGBARBDL-WHOFXGATSA-N 1 0 349.410 2.695 10 10 EFCERO O=C(NCc1cc(O)ccc1O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001455355178 1394593424 /nfs/dbraw/zinc/59/34/24/1394593424.db2.gz APBYSMZQXZNBRT-INIZCTEOSA-N 1 0 340.423 2.626 10 10 EFCERO O=C(NCc1c(O)cccc1O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC001456323623 1394666899 /nfs/dbraw/zinc/66/68/99/1394666899.db2.gz UVTJMZFRMPYHCH-UHFFFAOYSA-N 1 0 325.368 2.632 10 10 EFCERO CCc1oncc1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001507128918 1406742290 /nfs/dbraw/zinc/74/22/90/1406742290.db2.gz MSJGWKYNFDWMFO-AWEZNQCLSA-N 1 0 345.443 2.804 10 10 EFCERO O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001464831844 1396615586 /nfs/dbraw/zinc/61/55/86/1396615586.db2.gz QCUJMZZGUKAQEZ-KRWDZBQOSA-N 1 0 346.471 2.755 10 10 EFCERO COc1ccc2c(c1)c1c(n2CC(=O)N(C)CC[NH+](C)C)CCCC1 ZINC001465580096 1396694193 /nfs/dbraw/zinc/69/41/93/1396694193.db2.gz FRSKCKNQZJYREC-UHFFFAOYSA-N 1 0 343.471 2.549 10 10 EFCERO CN(C)c1ccc([C@H](CNC(=O)N[C@H]2CCC2(C)C)[NH+](C)C)cc1 ZINC001470116131 1397074287 /nfs/dbraw/zinc/07/42/87/1397074287.db2.gz QPHDLLGUPHMVQL-IRXDYDNUSA-N 1 0 332.492 2.843 10 10 EFCERO CN(C)c1ccc([C@H](CNC(=O)NC2(C3CCC3)CC2)[NH+](C)C)cc1 ZINC001471548245 1397182665 /nfs/dbraw/zinc/18/26/65/1397182665.db2.gz SREKUKVMMNRDSW-SFHVURJKSA-N 1 0 344.503 2.987 10 10 EFCERO CN(C)c1ccc([C@@H](CNC(=O)NCC2(C3CC3)CC2)[NH+](C)C)cc1 ZINC001478268163 1397572298 /nfs/dbraw/zinc/57/22/98/1397572298.db2.gz IFUCIJRUAJHCRP-GOSISDBHSA-N 1 0 344.503 2.845 10 10 EFCERO CCCC[NH2+][C@H]1C[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001479349062 1397699826 /nfs/dbraw/zinc/69/98/26/1397699826.db2.gz WWYWBYPBGLYZDJ-JNSHFYNHSA-N 1 0 331.420 2.747 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2ccn(C(C)C)n2)cc1C ZINC001480546465 1398200402 /nfs/dbraw/zinc/20/04/02/1398200402.db2.gz OREBAZRHZUZLSI-OAHLLOKOSA-N 1 0 344.459 2.689 10 10 EFCERO CC[C@H]1CC[C@H](C(=O)N(C)CC[NH2+]Cc2ccc(OC)c(C)c2)O1 ZINC001493566887 1398755929 /nfs/dbraw/zinc/75/59/29/1398755929.db2.gz ILPFYSUZUAYVCG-FUHWJXTLSA-N 1 0 334.460 2.509 10 10 EFCERO CC[C@@H]1CC[C@@H](C(=O)N(C)CC[NH2+]Cc2ccc(OC)c(C)c2)O1 ZINC001493566886 1398756104 /nfs/dbraw/zinc/75/61/04/1398756104.db2.gz ILPFYSUZUAYVCG-AEFFLSMTSA-N 1 0 334.460 2.509 10 10 EFCERO CC/C=C\CC[NH+]1CC(CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001494636085 1399409575 /nfs/dbraw/zinc/40/95/75/1399409575.db2.gz TYBBDERIDIXGCK-IYYWNQSKSA-N 1 0 343.431 2.867 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2ccccc2O)cc1C ZINC001495623734 1400126347 /nfs/dbraw/zinc/12/63/47/1400126347.db2.gz SVFIQWVGLSEYQE-AWEZNQCLSA-N 1 0 342.439 2.865 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2cscn2)cc1C ZINC001495662396 1400149891 /nfs/dbraw/zinc/14/98/91/1400149891.db2.gz SQJYYBQIJJOTKT-LBPRGKRZSA-N 1 0 333.457 2.616 10 10 EFCERO C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C[NH2+]CC1CC(C)C1 ZINC001495812120 1400287338 /nfs/dbraw/zinc/28/73/38/1400287338.db2.gz FAHXBSQARDDNMC-ROKHWSDSSA-N 1 0 345.447 2.851 10 10 EFCERO COc1ccc(C[NH2+][C@H](CNC(=O)[C@@H](C)SC)C(C)C)cc1C ZINC001496531858 1400800828 /nfs/dbraw/zinc/80/08/28/1400800828.db2.gz GIHBJQPSSKZZTC-GDBMZVCRSA-N 1 0 338.517 2.986 10 10 EFCERO CC[C@@H](C)C[N@H+](C)CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001496842753 1401031746 /nfs/dbraw/zinc/03/17/46/1401031746.db2.gz AGQOBSCPCZLULL-CYBMUJFWSA-N 1 0 333.436 2.899 10 10 EFCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)c2ccc(C)n2C)cc1C ZINC001497142643 1401182828 /nfs/dbraw/zinc/18/28/28/1401182828.db2.gz OVEADOKPVQYVNG-HNNXBMFYSA-N 1 0 343.471 2.949 10 10 EFCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)c2ncoc2C)cc1C ZINC001497153017 1401188329 /nfs/dbraw/zinc/18/83/29/1401188329.db2.gz BLMHQUOEVDSLTN-ZDUSSCGKSA-N 1 0 331.416 2.598 10 10 EFCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)C[C@H]2CCCOC2)cc1C ZINC001497324021 1401302523 /nfs/dbraw/zinc/30/25/23/1401302523.db2.gz RVBGGLZOMASESA-FUHWJXTLSA-N 1 0 348.487 2.805 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](OC)C2CCCC2)cc1C ZINC001497975935 1401786526 /nfs/dbraw/zinc/78/65/26/1401786526.db2.gz ULBXATIRLWZSJW-BEFAXECRSA-N 1 0 348.487 2.803 10 10 EFCERO COc1ccc(C[NH2+]CCCN(C)C(=O)CC(F)(F)F)cc1C ZINC001498524228 1402159711 /nfs/dbraw/zinc/15/97/11/1402159711.db2.gz LEWUDTAIRFYGRP-UHFFFAOYSA-N 1 0 332.366 2.894 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)c3cscn3)CC2)cc1C ZINC001499184545 1402512648 /nfs/dbraw/zinc/51/26/48/1402512648.db2.gz YUSJZPALLXJIEN-UHFFFAOYSA-N 1 0 331.441 2.512 10 10 EFCERO C[C@@H](F)CC[NH2+]C[C@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001499955617 1402869228 /nfs/dbraw/zinc/86/92/28/1402869228.db2.gz VMXRVCRBGIIZPT-IUODEOHRSA-N 1 0 349.410 2.791 10 10 EFCERO CCCOCC(=O)N(C)C1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001508099772 1407296485 /nfs/dbraw/zinc/29/64/85/1407296485.db2.gz SWLVUZZUWKVWJT-UHFFFAOYSA-N 1 0 334.460 2.509 10 10 EFCERO COc1ccc(C[NH2+]CC[C@@H]2CCN(C(=O)c3ccon3)C2)cc1C ZINC001501540507 1403619103 /nfs/dbraw/zinc/61/91/03/1403619103.db2.gz DFHWALBEYUMCEW-OAHLLOKOSA-N 1 0 343.427 2.634 10 10 EFCERO CC(C)[NH2+]CC[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001501654850 1403671065 /nfs/dbraw/zinc/67/10/65/1403671065.db2.gz HQYLUSMEFQBAEB-CYBMUJFWSA-N 1 0 331.420 2.699 10 10 EFCERO CC[C@@H](OC)C(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CCC1 ZINC001501925827 1403883437 /nfs/dbraw/zinc/88/34/37/1403883437.db2.gz XAPYNQZAFXRTPQ-MRXNPFEDSA-N 1 0 334.460 2.557 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2ccncc2)cc1C ZINC001505546945 1404756245 /nfs/dbraw/zinc/75/62/45/1404756245.db2.gz DKZSCUUXPUFSGC-LSDHHAIUSA-N 1 0 327.428 2.695 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2cccnc2)cc1C ZINC001505547087 1404757040 /nfs/dbraw/zinc/75/70/40/1404757040.db2.gz FXRYEDGFUKHIGI-GJZGRUSLSA-N 1 0 327.428 2.695 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2ncoc2C)cc1C ZINC001505570263 1404792092 /nfs/dbraw/zinc/79/20/92/1404792092.db2.gz KCBRGNFGGUUFSR-STQMWFEESA-N 1 0 331.416 2.597 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc2cncs2)cc1C ZINC001505628874 1404871948 /nfs/dbraw/zinc/87/19/48/1404871948.db2.gz LCBXQMVIIKSIIH-UONOGXRCSA-N 1 0 347.484 2.686 10 10 EFCERO CCc1ncoc1C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001505690749 1404944667 /nfs/dbraw/zinc/94/46/67/1404944667.db2.gz SFXODPZLYJVTGZ-KBPBESRZSA-N 1 0 345.443 2.851 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C2(C)CCOCC2)cc1C ZINC001505709791 1404967757 /nfs/dbraw/zinc/96/77/57/1404967757.db2.gz JIHRKJDPPPGJME-CVEARBPZSA-N 1 0 348.487 2.803 10 10 EFCERO CC(C)=CC[NH2+][C@@H](C)[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001505765477 1405041664 /nfs/dbraw/zinc/04/16/64/1405041664.db2.gz SSWWGIJVKQHIKU-STQMWFEESA-N 1 0 331.420 2.912 10 10 EFCERO C[C@@H](NC(=O)c1ccc(C[NH+](C)C)nc1)c1ccc(N(C)C)cc1 ZINC001556260199 1415060883 /nfs/dbraw/zinc/06/08/83/1415060883.db2.gz DCAZJWBPRYZITM-CQSZACIVSA-N 1 0 326.444 2.700 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC001557290284 1415117983 /nfs/dbraw/zinc/11/79/83/1415117983.db2.gz YKKIXYWBZVWDFN-GJZGRUSLSA-N 1 0 329.404 2.596 10 10 EFCERO C[C@@H]([NH2+]CC(=O)NCCc1cccc2cccnc21)c1ccccc1O ZINC001560074809 1415261855 /nfs/dbraw/zinc/26/18/55/1415261855.db2.gz HEYGWAQGSKTGGH-OAHLLOKOSA-N 1 0 349.434 2.950 10 10 EFCERO CC(C)C[C@H]1CN(C)CC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001560170735 1415265771 /nfs/dbraw/zinc/26/57/71/1415265771.db2.gz KXAYLRYIHBZMCI-FQEVSTJZSA-N 1 0 331.504 2.685 10 10 EFCERO C[C@@H]1CC[C@@H](NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC001565355435 1415394173 /nfs/dbraw/zinc/39/41/73/1415394173.db2.gz KZJSTZMQHVBASR-QGPMSJSTSA-N 1 0 332.492 2.843 10 10 EFCERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2ccc[nH]2)C2CC2)cc1C ZINC001566702367 1415739283 /nfs/dbraw/zinc/73/92/83/1415739283.db2.gz IYAAFWHFSCAKRQ-KRWDZBQOSA-N 1 0 327.428 2.630 10 10 EFCERO CC(C)CC[NH2+][C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001566731109 1415749019 /nfs/dbraw/zinc/74/90/19/1415749019.db2.gz AEFNOFIYZYMWCK-INIZCTEOSA-N 1 0 345.447 2.993 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H](C)OCC3CC3)C2)cc1C ZINC001566831340 1415793042 /nfs/dbraw/zinc/79/30/42/1415793042.db2.gz PODTYIGQSVCNFA-JCGIZDLHSA-N 1 0 346.471 2.556 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)CC2(OC)CCC2)cc1C ZINC001567010866 1415898704 /nfs/dbraw/zinc/89/87/04/1415898704.db2.gz ANKQITAKNOOXRZ-HNNXBMFYSA-N 1 0 334.460 2.557 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2c(C)ccn2C)cc1C ZINC001567011727 1415899364 /nfs/dbraw/zinc/89/93/64/1415899364.db2.gz LHVSUCLLVQISKW-OAHLLOKOSA-N 1 0 329.444 2.559 10 10 EFCERO CCc1ncsc1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567020824 1415902884 /nfs/dbraw/zinc/90/28/84/1415902884.db2.gz AGJXZAFDUXVWGN-CYBMUJFWSA-N 1 0 347.484 2.931 10 10 EFCERO CCc1cccc(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)n1 ZINC001567023333 1415904316 /nfs/dbraw/zinc/90/43/16/1415904316.db2.gz TZUCNEAOMPNFAP-OAHLLOKOSA-N 1 0 341.455 2.869 10 10 EFCERO C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CC1CC(C)C1 ZINC001567083811 1415928958 /nfs/dbraw/zinc/92/89/58/1415928958.db2.gz UBTOZPHTKWBUID-OTTFEQOBSA-N 1 0 331.420 2.603 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)CCc2ccccn2)cc1C ZINC001567541734 1416181724 /nfs/dbraw/zinc/18/17/24/1416181724.db2.gz ARRXCJXDCPGRNI-UHFFFAOYSA-N 1 0 341.455 2.579 10 10 EFCERO CCc1nc(C(=O)N(C)CC[NH2+]Cc2ccc(OC)c(C)c2)c(C)o1 ZINC001567573887 1416193440 /nfs/dbraw/zinc/19/34/40/1416193440.db2.gz PFZZXGYUPHJTTC-UHFFFAOYSA-N 1 0 345.443 2.724 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2ccncc2F)cc1C ZINC001568163510 1416430337 /nfs/dbraw/zinc/43/03/37/1416430337.db2.gz CMBHHXPCTIVQBM-CYBMUJFWSA-N 1 0 345.418 2.693 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)C2(CF)CCC2)cc1C ZINC001568195688 1416437794 /nfs/dbraw/zinc/43/77/94/1416437794.db2.gz JMBFUKMEFWNPKA-AWEZNQCLSA-N 1 0 336.451 2.985 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)c2cccnc2)cc1C ZINC001568255268 1416457007 /nfs/dbraw/zinc/45/70/07/1416457007.db2.gz QVKFKJWKQFLVQS-HNNXBMFYSA-N 1 0 327.428 2.649 10 10 EFCERO CC[C@@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001691758296 1416672610 /nfs/dbraw/zinc/67/26/10/1416672610.db2.gz YWVQIDPXEHQQGE-KYOSRNDESA-N 1 0 349.410 2.695 10 10 EFCERO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC001686826516 1416810877 /nfs/dbraw/zinc/81/08/77/1416810877.db2.gz KDRBAAWSXPVBGG-ZACQAIPSSA-N 1 0 346.519 2.726 10 10 EFCERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2ccns2)C2CC2)cc1C ZINC001690153773 1417165530 /nfs/dbraw/zinc/16/55/30/1417165530.db2.gz UAQAGFDGTNHSEZ-HNNXBMFYSA-N 1 0 345.468 2.758 10 10 EFCERO COC[C@@H](C)[C@@H](C)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001690341503 1417193721 /nfs/dbraw/zinc/19/37/21/1417193721.db2.gz QTWRFZGMFGPYMU-AHCXZYCDSA-N 1 0 348.487 2.659 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2ncoc2C2CC2)cc1C ZINC001690636915 1417222247 /nfs/dbraw/zinc/22/22/47/1417222247.db2.gz JCPDQXHIGYXRFN-ZDUSSCGKSA-N 1 0 343.427 2.777 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2n[nH]c(C)c2C)cc1C ZINC001690836183 1417243470 /nfs/dbraw/zinc/24/34/70/1417243470.db2.gz XBVPWQIUMLLKIK-CYBMUJFWSA-N 1 0 344.459 2.642 10 10 EFCERO COCCCC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001699745898 1417464877 /nfs/dbraw/zinc/46/48/77/1417464877.db2.gz JXIQQHMLPAVIIQ-KRWDZBQOSA-N 1 0 334.460 2.511 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2ccccc2O)cc1C ZINC001700736325 1417635374 /nfs/dbraw/zinc/63/53/74/1417635374.db2.gz BUTFJERUWXOJGQ-HNNXBMFYSA-N 1 0 342.439 2.960 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CCc3ccoc3)C2)cc1C ZINC001713189618 1418367310 /nfs/dbraw/zinc/36/73/10/1418367310.db2.gz HMSXEBJXGNFSQY-HDICACEKSA-N 1 0 342.439 2.966 10 10 EFCERO COCC(C)(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001713197391 1418371670 /nfs/dbraw/zinc/37/16/70/1418371670.db2.gz KFTNJLAYGQPOPK-CALCHBBNSA-N 1 0 348.487 2.803 10 10 EFCERO COC[C@@H](C)C(=O)N1CCC[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001713228092 1418400189 /nfs/dbraw/zinc/40/01/89/1418400189.db2.gz KZLPWIWRMQMKES-SJLPKXTDSA-N 1 0 348.487 2.614 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)CC[C@@H]2CCCO2)cc1C ZINC001713295658 1418459102 /nfs/dbraw/zinc/45/91/02/1418459102.db2.gz HQOYASCTTFYUJD-RDJZCZTQSA-N 1 0 334.460 2.557 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2Cc3ccccc32)cc1C ZINC001714752842 1418624691 /nfs/dbraw/zinc/62/46/91/1418624691.db2.gz HXTUGJDBXJSVMP-LJQANCHMSA-N 1 0 338.451 2.892 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)Cc2cscn2)cc1C ZINC001715359910 1418667543 /nfs/dbraw/zinc/66/75/43/1418667543.db2.gz HLDRKOFIDSXNCL-CQSZACIVSA-N 1 0 347.484 2.639 10 10 EFCERO CCc1cc(C(=O)N[C@@H](C)CC[NH2+]Cc2ccc(OC)c(C)c2)[nH]n1 ZINC001716121476 1418709218 /nfs/dbraw/zinc/70/92/18/1418709218.db2.gz BPSAXLOZJCKZJQ-AWEZNQCLSA-N 1 0 344.459 2.587 10 10 EFCERO CCc1ncoc1C(=O)NC/C=C\C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001716341353 1418785713 /nfs/dbraw/zinc/78/57/13/1418785713.db2.gz IEQOQPGGVFQLOJ-WAYWQWQTSA-N 1 0 343.427 2.630 10 10 EFCERO C[C@@H](F)CC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001716508032 1418903288 /nfs/dbraw/zinc/90/32/88/1418903288.db2.gz IGDCJXSJBMVDJF-VXGBXAGGSA-N 1 0 337.399 2.647 10 10 EFCERO CCc1ncoc1C(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001716693192 1418959769 /nfs/dbraw/zinc/95/97/69/1418959769.db2.gz DZRNMNJWWKSSPF-UHFFFAOYSA-N 1 0 343.427 2.606 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)COC(C)(C)C)cc1C ZINC001716776255 1419003375 /nfs/dbraw/zinc/00/33/75/1419003375.db2.gz XGCOUXBNDODRPH-KRWDZBQOSA-N 1 0 348.487 2.899 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)c3cncs3)CCC2)cc1C ZINC001717147783 1419237532 /nfs/dbraw/zinc/23/75/32/1419237532.db2.gz FZAOAKSHAWQADI-UHFFFAOYSA-N 1 0 345.468 2.902 10 10 EFCERO CC/C=C(/C)C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001717165630 1419245084 /nfs/dbraw/zinc/24/50/84/1419245084.db2.gz BHIGMHACWNZHNM-HUJBZGQLSA-N 1 0 346.471 2.677 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2n[nH]c(C)c2C)cc1C ZINC001717402952 1419380297 /nfs/dbraw/zinc/38/02/97/1419380297.db2.gz MUBXHEDJCCCKEH-GJZGRUSLSA-N 1 0 344.459 2.640 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2nocc2C)cc1C ZINC001717749361 1419534698 /nfs/dbraw/zinc/53/46/98/1419534698.db2.gz BGVUCTRBXFTNIL-AWEZNQCLSA-N 1 0 331.416 2.550 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2nocc2C)cc1C ZINC001717749362 1419534811 /nfs/dbraw/zinc/53/48/11/1419534811.db2.gz BGVUCTRBXFTNIL-CQSZACIVSA-N 1 0 331.416 2.550 10 10 EFCERO C[C@H](CN(C)C(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]C/C=C\Cl ZINC001717757221 1419537293 /nfs/dbraw/zinc/53/72/93/1419537293.db2.gz LYUABBPVGTWXNU-YKIPQYDZSA-N 1 0 337.811 2.652 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H](C)SC)CCC2)cc1C ZINC001724781880 1425009696 /nfs/dbraw/zinc/00/96/96/1425009696.db2.gz HZIFYCNEIRIHRG-CQSZACIVSA-N 1 0 336.501 2.884 10 10 EFCERO CCOCCCC(=O)N1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H](C)C1 ZINC001724931807 1425141785 /nfs/dbraw/zinc/14/17/85/1425141785.db2.gz NDCBPKNUNHHPLZ-WMZOPIPTSA-N 1 0 348.487 2.757 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2c(C)noc2C)cc1C ZINC001725079196 1425285087 /nfs/dbraw/zinc/28/50/87/1425285087.db2.gz HZIZFPMYTVDADN-STQMWFEESA-N 1 0 345.443 2.905 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2c(C)noc2C)cc1C ZINC001725079192 1425285792 /nfs/dbraw/zinc/28/57/92/1425285792.db2.gz HZIZFPMYTVDADN-OLZOCXBDSA-N 1 0 345.443 2.905 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2c(C)noc2C)cc1C ZINC001725079191 1425285853 /nfs/dbraw/zinc/28/58/53/1425285853.db2.gz HZIZFPMYTVDADN-CHWSQXEVSA-N 1 0 345.443 2.905 10 10 EFCERO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)c2csnn2)cc1C ZINC001725394611 1425536326 /nfs/dbraw/zinc/53/63/26/1425536326.db2.gz JAUJMHQGJAISOC-CYBMUJFWSA-N 1 0 348.472 2.543 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C2CC2)N(C)C(=O)C(F)F)cc1C ZINC001725446719 1425586807 /nfs/dbraw/zinc/58/68/07/1425586807.db2.gz DNQVTGLUUHQLTC-CQSZACIVSA-N 1 0 326.387 2.595 10 10 EFCERO COc1ccc(C[NH2+][C@H](CCNC(=O)c2ncc[nH]2)C(C)C)cc1C ZINC001725447890 1425587543 /nfs/dbraw/zinc/58/75/43/1425587543.db2.gz QCNJKAQSLNTSOB-MRXNPFEDSA-N 1 0 344.459 2.661 10 10 EFCERO O=C(c1cccnc1)N1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000179492629 1426304600 /nfs/dbraw/zinc/30/46/00/1426304600.db2.gz CMTTXOVMFJFPDH-UHFFFAOYSA-N 1 0 347.418 2.898 10 10 EFCERO COc1cc(C[N@@H+]2CCC[C@@H](Cn3nc(C)nc3C)C2)c(O)cc1C ZINC000160260223 713161951 /nfs/dbraw/zinc/16/19/51/713161951.db2.gz XQCKPHFTXCYBHH-MRXNPFEDSA-N 1 0 344.459 2.830 10 10 EFCERO CCN(CC)C(=O)C1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000120722003 713354922 /nfs/dbraw/zinc/35/49/22/713354922.db2.gz KVIFRKMXIAFRFL-UHFFFAOYSA-N 1 0 335.467 2.972 10 10 EFCERO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000047144607 714088444 /nfs/dbraw/zinc/08/84/44/714088444.db2.gz HVCLFQQQBJXRNJ-CQSZACIVSA-N 1 0 340.427 2.855 10 10 EFCERO CC[C@](C)(O)C[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000848528301 715268982 /nfs/dbraw/zinc/26/89/82/715268982.db2.gz KSQXWQROTCTKAL-OTYXRUKQSA-N 1 0 332.238 2.975 10 10 EFCERO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000120431275 715861178 /nfs/dbraw/zinc/86/11/78/715861178.db2.gz GUTRMIXEVUXMAC-HNNXBMFYSA-N 1 0 342.443 2.957 10 10 EFCERO CCC[C@@H](C(=O)NC1CCN(c2ccc(OC)cc2)CC1)[NH+](C)C ZINC000161940800 716430852 /nfs/dbraw/zinc/43/08/52/716430852.db2.gz UGGKJLOMFWOCCS-SFHVURJKSA-N 1 0 333.476 2.511 10 10 EFCERO COC(=O)c1c(C[N@@H+]2C[C@H]3COC[C@]3(C)C2)c2cc(F)ccc2n1C ZINC000895274302 723967682 /nfs/dbraw/zinc/96/76/82/723967682.db2.gz HXJBYHMRDOCLKF-BUXKBTBVSA-N 1 0 346.402 2.572 10 10 EFCERO COc1cc(Cl)cc(C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)c1O ZINC000895678548 724249101 /nfs/dbraw/zinc/24/91/01/724249101.db2.gz VXCLHERAEAPIBW-SECBINFHSA-N 1 0 349.683 2.702 10 10 EFCERO C[C@@H]1[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)CCN1Cc1ccccc1 ZINC000310686535 724467678 /nfs/dbraw/zinc/46/76/78/724467678.db2.gz MMGYPXKYRUGXPR-PBHICJAKSA-N 1 0 340.423 2.874 10 10 EFCERO CC(C)O[C@@]1(C[NH2+]Cc2cc(Br)ccc2O)CCOC1 ZINC000722340303 717826281 /nfs/dbraw/zinc/82/62/81/717826281.db2.gz QUTLJVSBVGVIMW-OAHLLOKOSA-N 1 0 344.249 2.828 10 10 EFCERO CN(C)c1ccc(C[NH+]2CCC(C(=O)N3CCCC3)CC2)cc1F ZINC000122470078 719307515 /nfs/dbraw/zinc/30/75/15/719307515.db2.gz KTFDVRRIHPTPGH-UHFFFAOYSA-N 1 0 333.451 2.726 10 10 EFCERO C[C@H]1[C@@H](NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)CC[N@@H+]1C ZINC000917524130 728750697 /nfs/dbraw/zinc/75/06/97/728750697.db2.gz WNTAAWAOZLXNGG-LPHOPBHVSA-N 1 0 344.503 2.815 10 10 EFCERO C[C@@H]1[C@H](NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)CC[N@@H+]1C ZINC000917524132 728750715 /nfs/dbraw/zinc/75/07/15/728750715.db2.gz WNTAAWAOZLXNGG-VQIMIIECSA-N 1 0 344.503 2.815 10 10 EFCERO Cc1cc(Cl)cc(C[NH2+]CC2(CS(C)(=O)=O)CCC2)c1O ZINC000840974440 719925566 /nfs/dbraw/zinc/92/55/66/719925566.db2.gz AURSPBNZTWDNCO-UHFFFAOYSA-N 1 0 331.865 2.659 10 10 EFCERO COC(=O)[C@H]1CSCC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000840976324 719996981 /nfs/dbraw/zinc/99/69/81/719996981.db2.gz DGONKEZEGFROEA-YIEVGGLXSA-N 1 0 334.485 2.604 10 10 EFCERO COC(=O)c1c(C[N@@H+]2CCC[C@@H](CCO)C2)c2cc(F)ccc2n1C ZINC000894004395 720218080 /nfs/dbraw/zinc/21/80/80/720218080.db2.gz OXDUORWXGZDMRK-ZDUSSCGKSA-N 1 0 348.418 2.698 10 10 EFCERO COC(=O)c1c(C[N@H+](C)C[C@@H]2CCCOC2)c2cc(F)ccc2n1C ZINC000894005118 720218648 /nfs/dbraw/zinc/21/86/48/720218648.db2.gz AXPWZAZCRJUPJH-ZDUSSCGKSA-N 1 0 348.418 2.962 10 10 EFCERO COC[C@@H]1CC[N@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)OC)C1 ZINC000894018974 720221525 /nfs/dbraw/zinc/22/15/25/720221525.db2.gz DEMNAOSHUIPSFP-GFCCVEGCSA-N 1 0 334.391 2.572 10 10 EFCERO COC(=O)c1c(C[N@H+](C)C[C@@H]2CCOC2)c2cc(F)ccc2n1C ZINC000894083583 720264717 /nfs/dbraw/zinc/26/47/17/720264717.db2.gz JWONXQZMLSAONE-LBPRGKRZSA-N 1 0 334.391 2.572 10 10 EFCERO Oc1ccc(F)cc1C[NH2+]Cc1nnc(COc2ccccc2)[n-]1 ZINC000186475020 720467935 /nfs/dbraw/zinc/46/79/35/720467935.db2.gz OOXQXHCWKHVZQN-UHFFFAOYSA-N 1 0 328.347 2.518 10 10 EFCERO COC[C@H](C)C[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000187680946 720517665 /nfs/dbraw/zinc/51/76/65/720517665.db2.gz ILAWLEMWBWZFGC-CYBMUJFWSA-N 1 0 346.393 2.914 10 10 EFCERO CN(C)c1ccc(CNC(=O)c2ccccc2OCC[NH+](C)C)cc1 ZINC000047296482 720860784 /nfs/dbraw/zinc/86/07/84/720860784.db2.gz DJHACWJFJXOSEE-UHFFFAOYSA-N 1 0 341.455 2.623 10 10 EFCERO COC(=O)c1c(C[NH2+]CC[C@H]2CCCO2)c2cc(F)ccc2n1C ZINC000894169196 721067246 /nfs/dbraw/zinc/06/72/46/721067246.db2.gz XTZQWHAYENAVDF-CYBMUJFWSA-N 1 0 334.391 2.763 10 10 EFCERO CC[C@@H](C)[C@@H](O)C[NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894250444 721740342 /nfs/dbraw/zinc/74/03/42/721740342.db2.gz JRSPLLQLVYFROB-BZNIZROVSA-N 1 0 336.407 2.601 10 10 EFCERO CCC[C@](C)(O)C[NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894254309 721758599 /nfs/dbraw/zinc/75/85/99/721758599.db2.gz NEEHULBNOHTVOT-SFHVURJKSA-N 1 0 336.407 2.745 10 10 EFCERO CC[C@@H](CCO)C[NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894353275 722598008 /nfs/dbraw/zinc/59/80/08/722598008.db2.gz YEKSKDSVNNFPQY-LBPRGKRZSA-N 1 0 336.407 2.602 10 10 EFCERO COC(=O)c1c(C[NH2+][C@@H]2CCO[C@@H](C)C2)c2cc(F)ccc2n1C ZINC000894358987 722609081 /nfs/dbraw/zinc/60/90/81/722609081.db2.gz LIWRCAJZFOKFSV-WCQYABFASA-N 1 0 334.391 2.761 10 10 EFCERO COC(=O)c1c(C[NH2+]CC2(OC)CCC2)c2cc(F)ccc2n1C ZINC000894431799 722734833 /nfs/dbraw/zinc/73/48/33/722734833.db2.gz YHOCRXMUXKYUAX-UHFFFAOYSA-N 1 0 334.391 2.763 10 10 EFCERO COC(=O)c1c(C[NH+]2CCC(C)(CO)CC2)c2cc(F)ccc2n1C ZINC000894469300 722748198 /nfs/dbraw/zinc/74/81/98/722748198.db2.gz KPGFYQYUOULSQD-UHFFFAOYSA-N 1 0 348.418 2.698 10 10 EFCERO CCc1[nH]c(C[NH2+][C@@H](C)c2cc(OC)ccc2O)cc1C(=O)OC ZINC000894783056 722847125 /nfs/dbraw/zinc/84/71/25/722847125.db2.gz PRQOMBGWAHXDAZ-NSHDSACASA-N 1 0 332.400 2.929 10 10 EFCERO CC(C)[N@H+]1C[C@H](NC(=O)NCCCSc2nccs2)[C@@H](C)C1 ZINC000154505746 728779488 /nfs/dbraw/zinc/77/94/88/728779488.db2.gz UBLIWBOGQUCRIX-STQMWFEESA-N 1 0 342.534 2.653 10 10 EFCERO CCOc1ccc(C[N@@H+]2CCc3nc[nH]c3C23CCOCC3)c(O)c1 ZINC000895071526 723179596 /nfs/dbraw/zinc/17/95/96/723179596.db2.gz QNRNTYBDWBRMMO-UHFFFAOYSA-N 1 0 343.427 2.578 10 10 EFCERO C[C@@H]1C[C@H](N(C)C(=O)c2cc3cc(O)c(O)cc3s2)CC[N@@H+]1C ZINC000896624228 723406062 /nfs/dbraw/zinc/40/60/62/723406062.db2.gz UFSAIAMEKXWARB-ZYHUDNBSSA-N 1 0 334.441 2.867 10 10 EFCERO COc1cc(C)cc(C[NH2+]C[C@@]2(CO)CCc3ccccc32)c1O ZINC000895133264 723416559 /nfs/dbraw/zinc/41/65/59/723416559.db2.gz HTCZASGVAIOFEG-HXUWFJFHSA-N 1 0 327.424 2.675 10 10 EFCERO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000896754687 723464667 /nfs/dbraw/zinc/46/46/67/723464667.db2.gz GVZLJOPXCNAUJN-NSHDSACASA-N 1 0 334.441 2.726 10 10 EFCERO COc1cc(C)cc(C[NH2+]Cc2ccc(CNC(C)=O)cc2)c1O ZINC000895224466 723890322 /nfs/dbraw/zinc/89/03/22/723890322.db2.gz ALZRFJKXSRBZCO-UHFFFAOYSA-N 1 0 328.412 2.635 10 10 EFCERO COc1ccc(N2CCN(CCC[NH2+][C@H](C)[C@H]3C[C@H]3C)CC2)cc1 ZINC000840710045 723900820 /nfs/dbraw/zinc/90/08/20/723900820.db2.gz HRFMIIIFNNSFHE-HLIPFELVSA-N 1 0 331.504 2.841 10 10 EFCERO COC(=O)c1c(C[N@@H+]2C[C@H](C)[C@@](C)(CO)C2)c2cc(F)ccc2n1C ZINC000895343510 724052369 /nfs/dbraw/zinc/05/23/69/724052369.db2.gz LHWWXNLXPAKBCC-HXPMCKFVSA-N 1 0 348.418 2.554 10 10 EFCERO COC(=O)c1c(C[N@@H+]2C[C@@H](C)[C@](C)(CO)C2)c2cc(F)ccc2n1C ZINC000895343505 724052450 /nfs/dbraw/zinc/05/24/50/724052450.db2.gz LHWWXNLXPAKBCC-BLVKFPJESA-N 1 0 348.418 2.554 10 10 EFCERO COc1cc(C)cc(C[NH2+]C[C@@H](n2cccn2)C(F)(F)F)c1O ZINC000895387750 724101298 /nfs/dbraw/zinc/10/12/98/724101298.db2.gz FCFLQYPQAGRJNC-CYBMUJFWSA-N 1 0 329.322 2.799 10 10 EFCERO CC[C@H](C[C@@H](C)O)[NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000895464718 724147380 /nfs/dbraw/zinc/14/73/80/724147380.db2.gz ODGUBYXHXQVMNZ-DGCLKSJQSA-N 1 0 336.407 2.743 10 10 EFCERO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000895464720 724147398 /nfs/dbraw/zinc/14/73/98/724147398.db2.gz ODGUBYXHXQVMNZ-YPMHNXCESA-N 1 0 336.407 2.743 10 10 EFCERO COc1cc(O)c(C[NH2+]C[C@]2(C)OCCc3ccccc32)cc1OC ZINC000895640272 724238968 /nfs/dbraw/zinc/23/89/68/724238968.db2.gz SFECOPQCGKRPDW-FQEVSTJZSA-N 1 0 343.423 2.987 10 10 EFCERO CC1([NH+]2CCC2)CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000895671318 724252817 /nfs/dbraw/zinc/25/28/17/724252817.db2.gz JEBYNZSGJWMPEA-UHFFFAOYSA-N 1 0 343.515 2.708 10 10 EFCERO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc2cc(O)c(O)cc2s1 ZINC000895698012 724269318 /nfs/dbraw/zinc/26/93/18/724269318.db2.gz VRAQATZRQLKKPZ-SNVBAGLBSA-N 1 0 332.425 2.527 10 10 EFCERO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc2cc(O)c(O)cc2s1 ZINC000895756437 724300023 /nfs/dbraw/zinc/30/00/23/724300023.db2.gz XAZWIOQGRQAUOQ-NWDGAFQWSA-N 1 0 332.425 2.669 10 10 EFCERO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CC[C@@]3(CO[C@@H](C)C3)O2)c1O ZINC000895818515 724331359 /nfs/dbraw/zinc/33/13/59/724331359.db2.gz DJAIORHDDFKEFP-PZSREKOKSA-N 1 0 341.835 2.870 10 10 EFCERO Cc1cc(C(=O)CN2C[C@@H]3C[NH2+]C[C@H]3C2)c(C)n1-c1cccc(F)c1 ZINC000728913730 724884517 /nfs/dbraw/zinc/88/45/17/724884517.db2.gz GVMBATHVTDUOJB-HOTGVXAUSA-N 1 0 341.430 2.567 10 10 EFCERO CCN(Cc1cc(Br)ccc1O)C(=O)C[C@H]1CC[NH2+]C1 ZINC000130135585 725648292 /nfs/dbraw/zinc/64/82/92/725648292.db2.gz FCRZDGOXAYQHTG-LLVKDONJSA-N 1 0 341.249 2.503 10 10 EFCERO CCN(CC)c1ccc(CNC(=O)N[C@H]2CCC[N@H+](C)C2)cc1F ZINC000731403229 726858367 /nfs/dbraw/zinc/85/83/67/726858367.db2.gz HKSVAUOJCQIILJ-HNNXBMFYSA-N 1 0 336.455 2.565 10 10 EFCERO C[N@H+](CC(=O)NC12CC3CC(CC(C3)C1)C2)Cc1ccccc1O ZINC000731843520 726941653 /nfs/dbraw/zinc/94/16/53/726941653.db2.gz NCKMFLPXNBVYJX-UHFFFAOYSA-N 1 0 328.456 2.909 10 10 EFCERO CC[N@H+](C)Cc1cccc(CNC(=O)NCc2c(O)cccc2F)c1 ZINC000915400444 726974313 /nfs/dbraw/zinc/97/43/13/726974313.db2.gz LHLSUUGOXQMUDJ-UHFFFAOYSA-N 1 0 345.418 2.982 10 10 EFCERO Cc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c(C)n1-c1ccccn1 ZINC000732166682 727000752 /nfs/dbraw/zinc/00/07/52/727000752.db2.gz RISFFOPWPDATJG-KRWDZBQOSA-N 1 0 338.455 2.798 10 10 EFCERO CN(C(=O)NCc1ccc(N2CCCC2)cc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000732448968 727081336 /nfs/dbraw/zinc/08/13/36/727081336.db2.gz MNZGBAVJIKPPCD-IBGZPJMESA-N 1 0 342.487 2.665 10 10 EFCERO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000912293432 727689281 /nfs/dbraw/zinc/68/92/81/727689281.db2.gz WUTAJYVYFJVTLO-DLBZAZTESA-N 1 0 345.487 2.512 10 10 EFCERO Cc1cc(C(=O)N[C@@]2(C)C[NH+]3CCC2CC3)c(C)n1-c1ccccn1 ZINC000912377194 727703389 /nfs/dbraw/zinc/70/33/89/727703389.db2.gz CWIAJIPJZGOLMU-FQEVSTJZSA-N 1 0 338.455 2.703 10 10 EFCERO Cc1cc(C(=O)N[C@]2(C)C[NH+]3CCC2CC3)c(C)n1-c1ccccn1 ZINC000912377196 727703524 /nfs/dbraw/zinc/70/35/24/727703524.db2.gz CWIAJIPJZGOLMU-HXUWFJFHSA-N 1 0 338.455 2.703 10 10 EFCERO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](Cn3nc(C)nc3C)C2)c1O ZINC000164383328 727937637 /nfs/dbraw/zinc/93/76/37/727937637.db2.gz AZYHWKPXRUMYKP-MRXNPFEDSA-N 1 0 344.459 2.830 10 10 EFCERO Cc1cc(C)n(C[C@@H]2C[N@H+](Cc3cc(C)cc(C)c3O)CCO2)n1 ZINC000164386301 727937679 /nfs/dbraw/zinc/93/76/79/727937679.db2.gz NWICOKRNYBMLLH-SFHVURJKSA-N 1 0 329.444 2.723 10 10 EFCERO Cc1cc(C)c(O)c(C[NH+]2CCN(C[C@@H](O)c3ccccc3)CC2)c1 ZINC000164379025 727938140 /nfs/dbraw/zinc/93/81/40/727938140.db2.gz ZCBSRNUUAMAKPV-HXUWFJFHSA-N 1 0 340.467 2.860 10 10 EFCERO COc1cc(C)cc(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c1O ZINC000164469267 727948824 /nfs/dbraw/zinc/94/88/24/727948824.db2.gz NWIWSSBIIRSEPA-KRWDZBQOSA-N 1 0 335.444 2.869 10 10 EFCERO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)COc2ccc(C)cc2)c1 ZINC000182362958 728102629 /nfs/dbraw/zinc/10/26/29/728102629.db2.gz RZYNZCCAGDTPRL-GJZGRUSLSA-N 1 0 331.412 2.800 10 10 EFCERO CCOC(=O)CCCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000172214009 728573759 /nfs/dbraw/zinc/57/37/59/728573759.db2.gz IFJSDDVBTBMAPY-UHFFFAOYSA-N 1 0 334.460 2.941 10 10 EFCERO CCN(CC)c1ccc(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000172251482 728576253 /nfs/dbraw/zinc/57/62/53/728576253.db2.gz XSZCGXYLKQUFMV-QFBILLFUSA-N 1 0 344.503 2.911 10 10 EFCERO CN1CCC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000920180001 729155359 /nfs/dbraw/zinc/15/53/59/729155359.db2.gz JZKYLZQUQJVXKU-MRXNPFEDSA-N 1 0 332.448 2.769 10 10 EFCERO COc1ccc(O)c(C[NH+]2CCN(c3ccc(F)cc3OC)CC2)c1 ZINC000180268087 729716749 /nfs/dbraw/zinc/71/67/49/729716749.db2.gz VKAHKRSGJVFBRB-UHFFFAOYSA-N 1 0 346.402 2.871 10 10 EFCERO OCC1([NH2+]Cc2c(O)cccc2Br)Cc2ccccc2C1 ZINC000858138492 1126112869 /nfs/dbraw/zinc/11/28/69/1126112869.db2.gz BKLYSVSKNQVAEP-UHFFFAOYSA-N 1 0 348.240 2.774 10 10 EFCERO COc1ccc(C[NH2+]C[C@]2(C)CCN(C(=O)c3cc[nH]c3)C2)cc1C ZINC001569669396 1085500385 /nfs/dbraw/zinc/50/03/85/1085500385.db2.gz MXNYTRFIEHDXCU-FQEVSTJZSA-N 1 0 341.455 2.974 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)COC(C)C)C2)cc1C ZINC001569807260 1085625252 /nfs/dbraw/zinc/62/52/52/1085625252.db2.gz VVPDZJFPBLWGTF-AEFFLSMTSA-N 1 0 348.487 2.755 10 10 EFCERO COCC(C)(C)C(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CCC1 ZINC001570110308 1085958407 /nfs/dbraw/zinc/95/84/07/1085958407.db2.gz OHQCLWDEZIBDIU-UHFFFAOYSA-N 1 0 348.487 2.805 10 10 EFCERO CCc1n[nH]cc1C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001570613666 1086408688 /nfs/dbraw/zinc/40/86/88/1086408688.db2.gz DJIDHDFNYVFEAI-KBPBESRZSA-N 1 0 344.459 2.586 10 10 EFCERO CCc1cc(C(=O)N(C)C[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)no1 ZINC001571413539 1086795469 /nfs/dbraw/zinc/79/54/69/1086795469.db2.gz VUPGLQGQFDXYOQ-AWEZNQCLSA-N 1 0 345.443 2.804 10 10 EFCERO COCCCCC(=O)N1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@@H]1C ZINC001571473503 1086853365 /nfs/dbraw/zinc/85/33/65/1086853365.db2.gz RJGBZMZYEZNZFP-FUHWJXTLSA-N 1 0 348.487 2.899 10 10 EFCERO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1O ZINC001648054281 1089935848 /nfs/dbraw/zinc/93/58/48/1089935848.db2.gz SSABSAUCCRVQOF-GFCCVEGCSA-N 1 0 329.356 2.980 10 10 EFCERO COc1cccc([C@@H]2C[N@H+](Cc3ccc(N(C)C)cc3)CCN2)c1 ZINC001648109774 1089943422 /nfs/dbraw/zinc/94/34/22/1089943422.db2.gz LGGRFUHLMUEOLL-FQEVSTJZSA-N 1 0 325.456 2.908 10 10 EFCERO CCOc1cccnc1N1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC001648324267 1089979681 /nfs/dbraw/zinc/97/96/81/1089979681.db2.gz LXZVPCIVNKWROM-UHFFFAOYSA-N 1 0 340.471 2.869 10 10 EFCERO CN1CCCc2cc(CNC(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)ccc21 ZINC001583627676 1092052608 /nfs/dbraw/zinc/05/26/08/1092052608.db2.gz COAMNAFMLWWXKQ-QZTJIDSGSA-N 1 0 329.488 2.806 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H](C)c2cccnc2)cc1C ZINC001266992406 1092272556 /nfs/dbraw/zinc/27/25/56/1092272556.db2.gz HRLFYTWNGAMRFR-INIZCTEOSA-N 1 0 341.455 2.750 10 10 EFCERO CCc1oncc1C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267145244 1092904051 /nfs/dbraw/zinc/90/40/51/1092904051.db2.gz CDPGGELWVYJXFY-CQSZACIVSA-N 1 0 345.443 2.852 10 10 EFCERO CCc1oncc1C(=O)NCC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267145242 1092904551 /nfs/dbraw/zinc/90/45/51/1092904551.db2.gz CDPGGELWVYJXFY-AWEZNQCLSA-N 1 0 345.443 2.852 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)CC(F)(F)F)CC2)cc1C ZINC001670756039 1093301292 /nfs/dbraw/zinc/30/12/92/1093301292.db2.gz YOUKJHXETVEIOG-UHFFFAOYSA-N 1 0 330.350 2.694 10 10 EFCERO CC/C=C\CC[N@H+](C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001267233298 1093302790 /nfs/dbraw/zinc/30/27/90/1093302790.db2.gz LRBJBBPGNBRYCU-BDZSZVBMSA-N 1 0 331.420 2.867 10 10 EFCERO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@H]3C3CCCC3)cc2)CC1 ZINC001598277480 1094666690 /nfs/dbraw/zinc/66/66/90/1094666690.db2.gz QDIMDEMDQKYSKW-WOJBJXKFSA-N 1 0 341.499 2.881 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCC2(F)F)cc1C ZINC001268068756 1095165162 /nfs/dbraw/zinc/16/51/62/1095165162.db2.gz NBAGHRPFVDMUST-UKRRQHHQSA-N 1 0 340.414 2.985 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](OC)C2CCC2)cc1C ZINC001268075965 1095183179 /nfs/dbraw/zinc/18/31/79/1095183179.db2.gz OWJCLEDLCHVQBQ-DNVCBOLYSA-N 1 0 348.487 2.755 10 10 EFCERO CCCOCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H](C)C1 ZINC001268131844 1095451658 /nfs/dbraw/zinc/45/16/58/1095451658.db2.gz WMQWIYSKNAARCC-FUHWJXTLSA-N 1 0 348.487 2.757 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)N2CCCC[C@@H]2CC[NH2+]CCF)cc1 ZINC001268164895 1095675600 /nfs/dbraw/zinc/67/56/00/1095675600.db2.gz BQDCGQVTBDIVNH-OAHLLOKOSA-N 1 0 349.410 2.793 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)c2cnccc2C)cc1C ZINC001481217745 1095731265 /nfs/dbraw/zinc/73/12/65/1095731265.db2.gz RPAYJHCUNIZCHE-UHFFFAOYSA-N 1 0 327.428 2.569 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)C[C@@H]2CCCCO2)cc1C ZINC001481219161 1095749392 /nfs/dbraw/zinc/74/93/92/1095749392.db2.gz QCMAEJJDSSMEKV-KRWDZBQOSA-N 1 0 334.460 2.511 10 10 EFCERO COCCC(=O)N1CCC[C@@H](C)[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001268180120 1096030381 /nfs/dbraw/zinc/03/03/81/1096030381.db2.gz LTVHKOOCQTYQSF-QAPCUYQASA-N 1 0 348.487 2.757 10 10 EFCERO C[C@H](CC[NH2+]CC1CC(C)C1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001268427178 1096582646 /nfs/dbraw/zinc/58/26/46/1096582646.db2.gz DBJHOIKEJAIKCT-ROKHWSDSSA-N 1 0 345.447 2.993 10 10 EFCERO C[C@H](CC[NH2+]CCC1CC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001268428364 1096586239 /nfs/dbraw/zinc/58/62/39/1096586239.db2.gz NEEWGZUOHPABQX-GFCCVEGCSA-N 1 0 331.420 2.747 10 10 EFCERO CC[C@@H](CNC(=O)c1cccn1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001481791477 1096697821 /nfs/dbraw/zinc/69/78/21/1096697821.db2.gz WGCWBCPZZDBQKL-INIZCTEOSA-N 1 0 329.444 2.640 10 10 EFCERO CC[C@H](CNC(=O)C[C@H]1CCCOC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001481877607 1096858806 /nfs/dbraw/zinc/85/88/06/1096858806.db2.gz FKTUBDLDEJTCIS-QZTJIDSGSA-N 1 0 348.487 2.805 10 10 EFCERO CC[C@@H](CNC(=O)C[C@@H]1CCCOC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001481877948 1096859078 /nfs/dbraw/zinc/85/90/78/1096859078.db2.gz FKTUBDLDEJTCIS-ROUUACIJSA-N 1 0 348.487 2.805 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2ccncc2Cl)cc1C ZINC001268663389 1097516557 /nfs/dbraw/zinc/51/65/57/1097516557.db2.gz JGWCGLRMGMVSCW-CYBMUJFWSA-N 1 0 347.846 2.960 10 10 EFCERO COc1cccc(C(=O)N[C@@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)c1 ZINC001268713741 1097561811 /nfs/dbraw/zinc/56/18/11/1097561811.db2.gz WTBCZQGHYDPUME-HNNXBMFYSA-N 1 0 342.439 2.920 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C[NH2+]CCF)cc1 ZINC001268771861 1097616099 /nfs/dbraw/zinc/61/60/99/1097616099.db2.gz UYVUAWGKHONUGM-UKRRQHHQSA-N 1 0 349.410 2.697 10 10 EFCERO COc1ccc(C[NH2+]CC2(NC(=O)c3cn[nH]c3)CCCC2)cc1C ZINC001269529058 1098218947 /nfs/dbraw/zinc/21/89/47/1098218947.db2.gz OXVAZBKIBSBHMF-UHFFFAOYSA-N 1 0 342.443 2.559 10 10 EFCERO C[C@@](C[NH2+]CC1CC1)(NC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001269652093 1098331674 /nfs/dbraw/zinc/33/16/74/1098331674.db2.gz OINMMNCQOYMRIJ-SFHVURJKSA-N 1 0 343.431 2.747 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2cc(C)on2)cc1C ZINC001482252437 1098528593 /nfs/dbraw/zinc/52/85/93/1098528593.db2.gz CPJNPRRTDDVQFC-CYBMUJFWSA-N 1 0 331.416 2.550 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)CCOC(C)C)cc1C ZINC001270006292 1098590650 /nfs/dbraw/zinc/59/06/50/1098590650.db2.gz HGNYNKJLXNNFSR-SFHVURJKSA-N 1 0 348.487 2.899 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C(=O)C(C)(C)C)cc1C ZINC001482264945 1098693580 /nfs/dbraw/zinc/69/35/80/1098693580.db2.gz CZXVRJMDSMWZDK-CQSZACIVSA-N 1 0 334.460 2.555 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)/C=C\c2ccc[nH]2)cc1C ZINC001482275120 1098865774 /nfs/dbraw/zinc/86/57/74/1098865774.db2.gz GHEDKHVZGQRIJM-YHWKNFMLSA-N 1 0 341.455 2.982 10 10 EFCERO CC[C@H](CNC(=O)CC(F)(F)F)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267797071 1099289565 /nfs/dbraw/zinc/28/95/65/1099289565.db2.gz BCHUICZNYRVMDC-CYBMUJFWSA-N 1 0 332.366 2.940 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CCc2ccon2)cc1C ZINC001482309070 1099368524 /nfs/dbraw/zinc/36/85/24/1099368524.db2.gz RZDDICSGVJXVKN-HNNXBMFYSA-N 1 0 345.443 2.561 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@H]3CCCO3)CCCC2)cc1C ZINC001268032519 1099790808 /nfs/dbraw/zinc/79/08/08/1099790808.db2.gz MNIZOBCEDIBFEN-GOSISDBHSA-N 1 0 346.471 2.701 10 10 EFCERO CC[C@H](C(=O)N[C@H](C)c1ccc(N(C)C)cc1)N1CCO[C@H](CC)C1 ZINC001625544894 1099824235 /nfs/dbraw/zinc/82/42/35/1099824235.db2.gz ZBNQECGMEGBTQC-ATZDWAIDSA-N 1 0 347.503 2.819 10 10 EFCERO COc1ccc(N2CCC(NC(=O)C3([NH+](C)C)CCCC3)CC2)cc1 ZINC001626480520 1099879190 /nfs/dbraw/zinc/87/91/90/1099879190.db2.gz WKFGSZRHEXHSBB-UHFFFAOYSA-N 1 0 345.487 2.655 10 10 EFCERO COCCC[N@H+](CCOC)Cc1cc(C)cc(Br)c1[O-] ZINC000781902244 1099966147 /nfs/dbraw/zinc/96/61/47/1099966147.db2.gz PIHWYLCUSCUQMC-UHFFFAOYSA-N 1 0 346.265 2.948 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CC[C@@H]2CCCO2)cc1C ZINC001270895718 1100147402 /nfs/dbraw/zinc/14/74/02/1100147402.db2.gz MMHIUUDKEZNVAD-WMZOPIPTSA-N 1 0 348.487 2.899 10 10 EFCERO C[N@H+](CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)CC(C)(C)C ZINC001631218734 1100382039 /nfs/dbraw/zinc/38/20/39/1100382039.db2.gz BKXOOUXNUTVHFQ-QGZVFWFLSA-N 1 0 348.487 2.878 10 10 EFCERO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001633767073 1100564367 /nfs/dbraw/zinc/56/43/67/1100564367.db2.gz QKPMVUUWCGSWQS-RDJZCZTQSA-N 1 0 346.471 2.753 10 10 EFCERO COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H](C)C[NH+](C)C)CCCC1 ZINC001634899353 1100634690 /nfs/dbraw/zinc/63/46/90/1100634690.db2.gz NOFXBOANAFMZJT-AWEZNQCLSA-N 1 0 343.471 2.595 10 10 EFCERO CN(Cc1ccc(N2CCCC2)cc1)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC001637021897 1100751871 /nfs/dbraw/zinc/75/18/71/1100751871.db2.gz ZBGLAISSBVNQGS-GOSISDBHSA-N 1 0 330.476 2.522 10 10 EFCERO O=C1OCCN1C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000840098676 1100813815 /nfs/dbraw/zinc/81/38/15/1100813815.db2.gz JWLOASFGJRFVGW-CQSZACIVSA-N 1 0 330.428 2.545 10 10 EFCERO COc1cccc(CNC(=O)[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1O ZINC001638300142 1100848580 /nfs/dbraw/zinc/84/85/80/1100848580.db2.gz FLKSRXAVCWRIBR-WMZOPIPTSA-N 1 0 340.423 2.710 10 10 EFCERO CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2C[C@H]2C2CCC2)[NH+](C)C)cc1 ZINC001638918199 1100898047 /nfs/dbraw/zinc/89/80/47/1100898047.db2.gz RQELZNLABNFCGX-OTWHNJEPSA-N 1 0 344.503 2.843 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](CC(C)C)NC(=O)c2ncc[nH]2)cc1C ZINC001271260810 1101327637 /nfs/dbraw/zinc/32/76/37/1101327637.db2.gz BNEVGQKEQRWJFP-INIZCTEOSA-N 1 0 344.459 2.661 10 10 EFCERO CCC[C@@H](OC)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001266610433 1101437654 /nfs/dbraw/zinc/43/76/54/1101437654.db2.gz UYFCEDGUIZPIJE-JFIYKMOQSA-N 1 0 334.460 2.556 10 10 EFCERO CC[NH+](CC)CCCN(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC001652734869 1101537399 /nfs/dbraw/zinc/53/73/99/1101537399.db2.gz IDZZCSHMQCGANG-UHFFFAOYSA-N 1 0 342.867 2.753 10 10 EFCERO COc1ccc(N2CC[NH+](C[C@@H]3CC(C)(C)CO3)CC2)c(OC)c1 ZINC001655378962 1101819454 /nfs/dbraw/zinc/81/94/54/1101819454.db2.gz VFVMOHSVDUHZRV-INIZCTEOSA-N 1 0 334.460 2.641 10 10 EFCERO c1ccc2c(c1)CCO[C@H]2C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC001655603603 1101854765 /nfs/dbraw/zinc/85/47/65/1101854765.db2.gz NREYAVZNDVEWIX-NRFANRHFSA-N 1 0 338.451 2.927 10 10 EFCERO c1ccc2c(c1)CCO[C@@H]2C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC001655603604 1101855927 /nfs/dbraw/zinc/85/59/27/1101855927.db2.gz NREYAVZNDVEWIX-OAQYLSRUSA-N 1 0 338.451 2.927 10 10 EFCERO CCC[C@@H](OC)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001266703969 1101949829 /nfs/dbraw/zinc/94/98/29/1101949829.db2.gz UYFCEDGUIZPIJE-SOLBZPMBSA-N 1 0 334.460 2.556 10 10 EFCERO CCC[C@H](OC)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001266703968 1101950348 /nfs/dbraw/zinc/95/03/48/1101950348.db2.gz UYFCEDGUIZPIJE-JZXOWHBKSA-N 1 0 334.460 2.556 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H](C)SC)C2)cc1C ZINC001656185079 1101990437 /nfs/dbraw/zinc/99/04/37/1101990437.db2.gz OIMXZSNVTNFSOB-FVQBIDKESA-N 1 0 336.501 2.740 10 10 EFCERO Cc1cc(O)c(C[NH2+]Cc2ccc(N3CCOCC3)nc2)c(Cl)c1 ZINC000840876233 1102067488 /nfs/dbraw/zinc/06/74/88/1102067488.db2.gz SQYLYXVZNJIPMV-UHFFFAOYSA-N 1 0 347.846 2.875 10 10 EFCERO C[C@@H]([NH2+]CCCF)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001271562754 1102118609 /nfs/dbraw/zinc/11/86/09/1102118609.db2.gz UZUZYFOPYSUAMP-TZMCWYRMSA-N 1 0 349.410 2.649 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)c2cncc(C)c2)cc1C ZINC001493507677 1102487423 /nfs/dbraw/zinc/48/74/23/1102487423.db2.gz IQNGPUKEXQKPJO-UHFFFAOYSA-N 1 0 327.428 2.569 10 10 EFCERO COc1ccc(O)c([C@@H](C)NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000075315243 1102536182 /nfs/dbraw/zinc/53/61/82/1102536182.db2.gz DUQCRVKUDKWNSI-FFHGMXDLSA-N 1 0 347.459 2.776 10 10 EFCERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2ncoc2C)C(C)C)cc1C ZINC001482518636 1102539677 /nfs/dbraw/zinc/53/96/77/1102539677.db2.gz SGWRHFJZKQOALQ-INIZCTEOSA-N 1 0 345.443 2.844 10 10 EFCERO C[C@@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)c1ccccc1O ZINC001659815218 1102568907 /nfs/dbraw/zinc/56/89/07/1102568907.db2.gz BRONRTQGPYANMJ-LLVKDONJSA-N 1 0 329.787 2.904 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)Cc2cccs2)cc1C ZINC001266920734 1102691921 /nfs/dbraw/zinc/69/19/21/1102691921.db2.gz XGLVUAWMRDWPIP-CQSZACIVSA-N 1 0 332.469 2.902 10 10 EFCERO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H](C)CSC)C2)cc1C ZINC001661294765 1103224604 /nfs/dbraw/zinc/22/46/04/1103224604.db2.gz SOBXWNBSZBTCPS-HOCLYGCPSA-N 1 0 336.501 2.693 10 10 EFCERO COCCC(=O)NC1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001662088904 1103580908 /nfs/dbraw/zinc/58/09/08/1103580908.db2.gz OKCCBWGUIAQZMJ-UHFFFAOYSA-N 1 0 334.460 2.557 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H](C)n2cccc2)cc1C ZINC001662195204 1103620212 /nfs/dbraw/zinc/62/02/12/1103620212.db2.gz IQLODWVRBOMRGH-JKSUJKDBSA-N 1 0 329.444 2.661 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H](C)n2cccc2)cc1C ZINC001662195203 1103621324 /nfs/dbraw/zinc/62/13/24/1103621324.db2.gz IQLODWVRBOMRGH-HZPDHXFCSA-N 1 0 329.444 2.661 10 10 EFCERO CCCn1nccc1C(=O)NC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001662229653 1103630980 /nfs/dbraw/zinc/63/09/80/1103630980.db2.gz JVTXVXCEACZFIH-HNNXBMFYSA-N 1 0 344.459 2.518 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2cnoc2C2CC2)cc1C ZINC001662377866 1103680034 /nfs/dbraw/zinc/68/00/34/1103680034.db2.gz PJBBGMIVOQGXOO-CYBMUJFWSA-N 1 0 343.427 2.777 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H](OC)C2CCCC2)cc1C ZINC001662400484 1103684509 /nfs/dbraw/zinc/68/45/09/1103684509.db2.gz SCCXROVRLPMLAG-BEFAXECRSA-N 1 0 348.487 2.803 10 10 EFCERO COc1ccc(C[NH2+]CCCN(C)C(=O)Cc2ccoc2)cc1C ZINC001483461321 1103761711 /nfs/dbraw/zinc/76/17/11/1103761711.db2.gz DWRPKCQCQNOBMS-UHFFFAOYSA-N 1 0 330.428 2.777 10 10 EFCERO CCc1ocnc1C(=O)NCC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001662903510 1103892980 /nfs/dbraw/zinc/89/29/80/1103892980.db2.gz KUNWYNXPQSEDGQ-AWEZNQCLSA-N 1 0 345.443 2.852 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)[C@@H](C)SC)C2CC2)cc1C ZINC001483545262 1103918539 /nfs/dbraw/zinc/91/85/39/1103918539.db2.gz NLFORNHITKNXQX-CZUORRHYSA-N 1 0 336.501 2.740 10 10 EFCERO c1ccc([C@@H](CN2CCOCC2)[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000078819854 1104005839 /nfs/dbraw/zinc/00/58/39/1104005839.db2.gz CZDPCWQCLCXNPW-HXUWFJFHSA-N 1 0 338.451 2.785 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)c2nccs2)C2CC2)cc1C ZINC001483595709 1104037705 /nfs/dbraw/zinc/03/77/05/1104037705.db2.gz ZRPGFWQWEOLEAD-OAHLLOKOSA-N 1 0 345.468 2.758 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H](OC)C3CCC3)CC2)cc1C ZINC001670829168 1104481131 /nfs/dbraw/zinc/48/11/31/1104481131.db2.gz FOYVWPSLXXPHKB-SFHVURJKSA-N 1 0 346.471 2.557 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]2CCCO2)cc1C ZINC001667075927 1105047529 /nfs/dbraw/zinc/04/75/29/1105047529.db2.gz JVEXREGHFAQXST-PKOBYXMFSA-N 1 0 348.487 2.803 10 10 EFCERO CC(C)C[C@@H](C[NH2+]CC1CC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001667118862 1105055500 /nfs/dbraw/zinc/05/55/00/1105055500.db2.gz WXRWSRWCHVHZIK-INIZCTEOSA-N 1 0 345.447 2.993 10 10 EFCERO COc1ccc(C(=O)N[C@@H](C)CC[NH2+]Cc2ccc(OC)c(C)c2)o1 ZINC001482883490 1105131390 /nfs/dbraw/zinc/13/13/90/1105131390.db2.gz DHRJUJOKLBXXQN-AWEZNQCLSA-N 1 0 346.427 2.903 10 10 EFCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)C1CC(F)(F)C1 ZINC001668401128 1105292446 /nfs/dbraw/zinc/29/24/46/1105292446.db2.gz AIKUYDFTVQQSOD-UHFFFAOYSA-N 1 0 340.414 2.987 10 10 EFCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)[C@H](C)n2cccc2)cc1C ZINC001668780160 1105369960 /nfs/dbraw/zinc/36/99/60/1105369960.db2.gz OTRGTAYVKSGYCZ-BDUNBXCCSA-N 1 0 341.455 2.828 10 10 EFCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)C2[C@@H]3CCC[C@H]23)cc1C ZINC001482995283 1105500648 /nfs/dbraw/zinc/50/06/48/1105500648.db2.gz QBBUMNFGKWYQHJ-FBODGSASSA-N 1 0 328.456 2.812 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)N[C@@H](C[NH2+]CCF)C2CCCC2)cc1 ZINC001671569196 1105661033 /nfs/dbraw/zinc/66/10/33/1105661033.db2.gz ANNJNYUFUXWIQH-HNNXBMFYSA-N 1 0 349.410 2.697 10 10 EFCERO CC(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001672246819 1105784847 /nfs/dbraw/zinc/78/48/47/1105784847.db2.gz OBMXGGCGBWMRJV-ZFWWWQNUSA-N 1 0 345.447 2.945 10 10 EFCERO COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000841963757 1106056670 /nfs/dbraw/zinc/05/66/70/1106056670.db2.gz WJQPITQCTXKHCG-QWHCGFSZSA-N 1 0 343.427 2.981 10 10 EFCERO CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000841988118 1106116676 /nfs/dbraw/zinc/11/66/76/1106116676.db2.gz KCYVEWGQFSBXGH-QAPCUYQASA-N 1 0 332.492 2.672 10 10 EFCERO C[N@H+](CCCCNC(=O)c1cc2cc(O)c(O)cc2s1)C1CC1 ZINC000897941658 1106160753 /nfs/dbraw/zinc/16/07/53/1106160753.db2.gz FEIYEYVHRZCJHH-UHFFFAOYSA-N 1 0 334.441 2.917 10 10 EFCERO CC(C)C[NH2+]CC1CC(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001674611478 1106222117 /nfs/dbraw/zinc/22/21/17/1106222117.db2.gz HGZPLXICJAKOIK-UHFFFAOYSA-N 1 0 331.420 2.603 10 10 EFCERO CCc1cc(C(=O)N[C@H](C)[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)[nH]n1 ZINC001674633416 1106225101 /nfs/dbraw/zinc/22/51/01/1106225101.db2.gz LCWAENQABIGWCK-UONOGXRCSA-N 1 0 344.459 2.586 10 10 EFCERO CC(C)=CC[N@@H+](C)[C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001675055070 1106297991 /nfs/dbraw/zinc/29/79/91/1106297991.db2.gz WOEXYVCMEMQAJC-ZDUSSCGKSA-N 1 0 331.420 2.865 10 10 EFCERO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)c2oncc2C)cc1C ZINC001676002638 1106466382 /nfs/dbraw/zinc/46/63/82/1106466382.db2.gz WSZKKPIRYJYPFD-HNNXBMFYSA-N 1 0 345.443 2.988 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C2(C)CCOCC2)cc1C ZINC001676440191 1106530519 /nfs/dbraw/zinc/53/05/19/1106530519.db2.gz MVQHJDPFKSNOOL-MRXNPFEDSA-N 1 0 348.487 2.757 10 10 EFCERO CN(C)c1ccc(CN(C(=O)NC[C@@H]2CCCC[N@@H+]2C)C2CC2)cc1 ZINC001676541195 1106539834 /nfs/dbraw/zinc/53/98/34/1106539834.db2.gz XULYJFUQHHLBPH-IBGZPJMESA-N 1 0 344.503 2.911 10 10 EFCERO COCCC(=O)N[C@@H](C[NH2+]Cc1ccc(OC)c(C)c1)C(C)(C)C ZINC001677224041 1106677939 /nfs/dbraw/zinc/67/79/39/1106677939.db2.gz VYRBWNNOICOLOS-KRWDZBQOSA-N 1 0 336.476 2.661 10 10 EFCERO CCOc1ccc(N2CC[NH+](CCC(=O)OC(C)(C)C)CC2)cc1 ZINC001168331518 1107059909 /nfs/dbraw/zinc/05/99/09/1107059909.db2.gz JIFKRLLWULQZOC-UHFFFAOYSA-N 1 0 334.460 2.939 10 10 EFCERO CC[C@H]([NH2+]CC[C@H]1CNC(=O)C1)c1ccc(C(F)(F)F)cc1O ZINC000926981975 1108422420 /nfs/dbraw/zinc/42/24/20/1108422420.db2.gz ZFLVGXBSIJZCGT-MFKMUULPSA-N 1 0 330.350 2.978 10 10 EFCERO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCc1cccc(Cl)c1O ZINC001682112880 1108575037 /nfs/dbraw/zinc/57/50/37/1108575037.db2.gz QQVJCTLOOITIFT-CQSZACIVSA-N 1 0 339.867 2.965 10 10 EFCERO CCC(CC)[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)N1CCOCC1 ZINC000097497821 1108598796 /nfs/dbraw/zinc/59/87/96/1108598796.db2.gz SSWMCKFNLIRPID-LJQANCHMSA-N 1 0 332.488 2.848 10 10 EFCERO CC[C@@H]([NH2+][C@@H](CC)c1cc(Br)ccc1O)C(=O)NC ZINC000697921513 1109224818 /nfs/dbraw/zinc/22/48/18/1109224818.db2.gz WAIXDNOBRORYCZ-NWDGAFQWSA-N 1 0 329.238 2.720 10 10 EFCERO C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000924760180 1109425874 /nfs/dbraw/zinc/42/58/74/1109425874.db2.gz OPSJQNSJTBIUOB-IGOJGBNBSA-N 1 0 332.488 2.656 10 10 EFCERO CCc1cccnc1C(=O)N[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001483143028 1109663378 /nfs/dbraw/zinc/66/33/78/1109663378.db2.gz PYNXEQOKCLOARP-OAHLLOKOSA-N 1 0 341.455 2.869 10 10 EFCERO COC(=O)c1cc2ccccc2c(C[N@@H+]2C[C@@H](C)OC[C@H]2C)c1O ZINC000914570495 1111262972 /nfs/dbraw/zinc/26/29/72/1111262972.db2.gz BQJWKXHCAFPYNU-CHWSQXEVSA-N 1 0 329.396 2.941 10 10 EFCERO CCO[C@@H](C)C(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CCC1 ZINC001484626094 1113076293 /nfs/dbraw/zinc/07/62/93/1113076293.db2.gz RCDPVYWQJBWJDL-HNNXBMFYSA-N 1 0 334.460 2.557 10 10 EFCERO C[C@H](F)CC[NH2+]C1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CCC1 ZINC001484664411 1113104091 /nfs/dbraw/zinc/10/40/91/1113104091.db2.gz JHOTZJXYNXLWHV-LBPRGKRZSA-N 1 0 349.410 2.839 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C2=COCCC2)cc1C ZINC001485130627 1118058539 /nfs/dbraw/zinc/05/85/39/1118058539.db2.gz SNLWNTPIYQFMJZ-GJZGRUSLSA-N 1 0 332.444 2.681 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC(F)(F)F)cc1C ZINC001485128059 1118073892 /nfs/dbraw/zinc/07/38/92/1118073892.db2.gz NQKBQPKHEFXZGQ-NWDGAFQWSA-N 1 0 332.366 2.939 10 10 EFCERO CCn1nccc1C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001485137517 1118090146 /nfs/dbraw/zinc/09/01/46/1118090146.db2.gz LZOKZNBCZWESIO-HUUCEWRRSA-N 1 0 344.459 2.517 10 10 EFCERO COc1cccc(NC(=O)CN2CCCc3cc(C[NH3+])ccc32)c1 ZINC000325011768 1119881032 /nfs/dbraw/zinc/88/10/32/1119881032.db2.gz FQEZLYZHXMDVFS-UHFFFAOYSA-N 1 0 325.412 2.545 10 10 EFCERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000173331240 529405882 /nfs/dbraw/zinc/40/58/82/529405882.db2.gz WTOSTSVETOOSPD-SJLPKXTDSA-N 1 0 330.476 2.521 10 10 EFCERO NC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000035421639 213026131 /nfs/dbraw/zinc/02/61/31/213026131.db2.gz OQFDWBRCNROOGY-IBGZPJMESA-N 1 0 332.403 2.958 10 10 EFCERO COc1cc(O)c(C[N@@H+]2CCC[C@H](Cc3noc(C)n3)C2)cc1OC ZINC000160130995 239045136 /nfs/dbraw/zinc/04/51/36/239045136.db2.gz JPQGMSLPENUCPP-CYBMUJFWSA-N 1 0 347.415 2.556 10 10 EFCERO CN(C)C(=O)C1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000162585654 239093365 /nfs/dbraw/zinc/09/33/65/239093365.db2.gz AYYAEKTUBAKMKK-UHFFFAOYSA-N 1 0 329.488 2.977 10 10 EFCERO O=C(NCc1ccc(N2CCCC2)cc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000171632943 239150951 /nfs/dbraw/zinc/15/09/51/239150951.db2.gz BTIBRMXYDIPMLI-IBGZPJMESA-N 1 0 342.487 2.667 10 10 EFCERO C[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@H]12)c1ccc(N2CCC(O)CC2)cc1 ZINC000187302453 239708829 /nfs/dbraw/zinc/70/88/29/239708829.db2.gz XNURKWRZPHVSMA-NDSDBLNTSA-N 1 0 330.472 2.866 10 10 EFCERO CN(C)c1ccc(C[NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1 ZINC000191760585 240005233 /nfs/dbraw/zinc/00/52/33/240005233.db2.gz OUOHTZAJRQWTSH-LJQANCHMSA-N 1 0 341.430 2.782 10 10 EFCERO O=C(c1cccc(O)c1O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000193018019 240080559 /nfs/dbraw/zinc/08/05/59/240080559.db2.gz PKOOBHAESTZKJD-HNNXBMFYSA-N 1 0 332.444 2.826 10 10 EFCERO O=C(c1cccc(O)c1O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000193018005 240081321 /nfs/dbraw/zinc/08/13/21/240081321.db2.gz PKOOBHAESTZKJD-OAHLLOKOSA-N 1 0 332.444 2.826 10 10 EFCERO C[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@H]1N1CCOCC1 ZINC000245774449 240261866 /nfs/dbraw/zinc/26/18/66/240261866.db2.gz SJZXBWLPYVIPPW-WIYYLYMNSA-N 1 0 343.515 2.829 10 10 EFCERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000246792833 240273368 /nfs/dbraw/zinc/27/33/68/240273368.db2.gz CTDMEIYDTVOMDV-VQIMIIECSA-N 1 0 342.487 2.591 10 10 EFCERO CN(Cc1cccs1)c1ccc(C[N@@H+]2CCNC(=O)CC2)cc1 ZINC000294714916 241050351 /nfs/dbraw/zinc/05/03/51/241050351.db2.gz FUKWCLKJOMTTTH-UHFFFAOYSA-N 1 0 329.469 2.706 10 10 EFCERO CCN(CC)c1ccc(CNC(=O)N2CC[NH+]3CCC2CC3)cc1F ZINC000367424660 242380752 /nfs/dbraw/zinc/38/07/52/242380752.db2.gz VBSCWDQLVKEYCJ-UHFFFAOYSA-N 1 0 348.466 2.662 10 10 EFCERO CCOc1cccc(C[N@@H+]2CCCC[C@@H]2CCS(C)(=O)=O)c1O ZINC000367834866 242393261 /nfs/dbraw/zinc/39/32/61/242393261.db2.gz WWKLCMBIIGZIOD-OAHLLOKOSA-N 1 0 341.473 2.580 10 10 EFCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCC2CC2)C1 ZINC000435500470 248245544 /nfs/dbraw/zinc/24/55/44/248245544.db2.gz KXBCYKBCHWIDDA-UHFFFAOYSA-N 1 0 325.456 2.934 10 10 EFCERO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]Cc3ccc(F)cc3)cc2)C1 ZINC000054178815 132190136 /nfs/dbraw/zinc/19/01/36/132190136.db2.gz MKNOQWIEVMEMHE-KRWDZBQOSA-N 1 0 341.430 2.817 10 10 EFCERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000177411086 544893085 /nfs/dbraw/zinc/89/30/85/544893085.db2.gz ZHFCYTXGJXETNC-IBGZPJMESA-N 1 0 344.503 2.913 10 10 EFCERO CC[NH+](CC)[C@H](C)CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000153471651 276339311 /nfs/dbraw/zinc/33/93/11/276339311.db2.gz RUKBZYGMUVEYDI-MRXNPFEDSA-N 1 0 330.476 2.592 10 10 EFCERO CCOc1cccc(C[NH2+]C[C@@H]2c3ccccc3C(=O)N2C)c1O ZINC000527804255 316466981 /nfs/dbraw/zinc/46/69/81/316466981.db2.gz CMUYHPJVJDEIMB-MRXNPFEDSA-N 1 0 326.396 2.707 10 10 EFCERO C[C@@H](C[NH2+][C@@H](C)c1ccc(Br)cc1O)N1CCOCC1 ZINC000184935869 473278395 /nfs/dbraw/zinc/27/83/95/473278395.db2.gz JVXGRALHNCQRNS-RYUDHWBXSA-N 1 0 343.265 2.526 10 10 EFCERO COc1cccc(C[N@@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)c1O ZINC000190491222 473295063 /nfs/dbraw/zinc/29/50/63/473295063.db2.gz IOIUZEUEUUIENU-KRWDZBQOSA-N 1 0 341.455 2.750 10 10 EFCERO Cc1cc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c(C)n1-c1ccccn1 ZINC000113226188 473369851 /nfs/dbraw/zinc/36/98/51/473369851.db2.gz XESLRRNNUDETRG-RDJZCZTQSA-N 1 0 338.455 2.798 10 10 EFCERO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)c1 ZINC000185267847 473382133 /nfs/dbraw/zinc/38/21/33/473382133.db2.gz GBJRBCQMYKHVPM-CQSZACIVSA-N 1 0 345.418 2.922 10 10 EFCERO COC(=O)c1cc2ccccc2c(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000014185873 471858594 /nfs/dbraw/zinc/85/85/94/471858594.db2.gz BVFMMYDWYOTABL-BETUJISGSA-N 1 0 329.396 2.941 10 10 EFCERO COc1cc(C[NH2+]Cc2ccc(N(C)C)cc2)cc2c1OCCO2 ZINC000017318096 471961268 /nfs/dbraw/zinc/96/12/68/471961268.db2.gz YQBBWNDNTKKMOK-UHFFFAOYSA-N 1 0 328.412 2.822 10 10 EFCERO CN(C)c1ccc([C@H]2[NH2+]C[C@@H](COc3ccc([N+](=O)[O-])cc3)O2)cc1 ZINC000034803476 471991199 /nfs/dbraw/zinc/99/11/99/471991199.db2.gz WRASVXYMXMWGQJ-ROUUACIJSA-N 1 0 343.383 2.727 10 10 EFCERO Cc1nn(C)c(C)c1[C@H]1OCC[C@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000076042657 472248725 /nfs/dbraw/zinc/24/87/25/472248725.db2.gz OWWKDEYEYPANDL-PXNSSMCTSA-N 1 0 341.455 2.839 10 10 EFCERO COc1ccc(O)c(C[NH2+][C@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)c1 ZINC000089726380 472494330 /nfs/dbraw/zinc/49/43/30/472494330.db2.gz FVPSBGJJEZEFQJ-KDOFPFPSSA-N 1 0 340.423 2.680 10 10 EFCERO C[C@@H]([NH2+]Cc1ccccn1)c1ccc(N2CCN(C)CC2)c(F)c1 ZINC000071825362 472574597 /nfs/dbraw/zinc/57/45/97/472574597.db2.gz NEINQZHQAFHFKY-OAHLLOKOSA-N 1 0 328.435 2.823 10 10 EFCERO NC(=O)c1cccc(CC[NH2+]Cc2cc(Br)ccc2O)c1 ZINC000072275605 472645028 /nfs/dbraw/zinc/64/50/28/472645028.db2.gz KZCZBINFZXDUCP-UHFFFAOYSA-N 1 0 349.228 2.586 10 10 EFCERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000120307513 472666387 /nfs/dbraw/zinc/66/63/87/472666387.db2.gz ZIJNMAMUZYJPOA-CRAIPNDOSA-N 1 0 332.492 2.624 10 10 EFCERO CCOc1ccc(O)c(C[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)c1 ZINC000092076106 472854465 /nfs/dbraw/zinc/85/44/65/472854465.db2.gz YDHBNVJSRAEDOC-SFHVURJKSA-N 1 0 340.423 2.854 10 10 EFCERO CCn1cc(CN2CCC[N@H+](Cc3ccc(N(C)C)cc3)CC2)cn1 ZINC000121606322 472879707 /nfs/dbraw/zinc/87/97/07/472879707.db2.gz MVMSCCHOVFECES-UHFFFAOYSA-N 1 0 341.503 2.677 10 10 EFCERO CCOc1cccc(C[NH+]2CCC(Cc3nccn3C)CC2)c1O ZINC000121775144 472911934 /nfs/dbraw/zinc/91/19/34/472911934.db2.gz FMXYCJWBVKKOCH-UHFFFAOYSA-N 1 0 329.444 2.979 10 10 EFCERO Cc1nc(C)n(C[C@H]2CCC[N@@H+](Cc3ccc(N(C)C)cc3)C2)n1 ZINC000121908719 472943293 /nfs/dbraw/zinc/94/32/93/472943293.db2.gz NMQQKBDWTQMLAI-SFHVURJKSA-N 1 0 327.476 2.873 10 10 EFCERO CCOc1ccc(O)c(C[NH+]2CCN(Cc3ccccn3)CC2)c1 ZINC000121967721 472955525 /nfs/dbraw/zinc/95/55/25/472955525.db2.gz AZHUVWLHGXGFDB-UHFFFAOYSA-N 1 0 327.428 2.504 10 10 EFCERO c1cc(C2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)n[nH]1 ZINC000092810802 472989449 /nfs/dbraw/zinc/98/94/49/472989449.db2.gz LJHBSVMVLKJSOR-UHFFFAOYSA-N 1 0 326.444 2.626 10 10 EFCERO CCOc1cccc(C[N@@H+]2CCCN(c3ccc(C)nn3)CC2)c1O ZINC000093271797 473069996 /nfs/dbraw/zinc/06/99/96/473069996.db2.gz WTGNEPZAUQLFRV-UHFFFAOYSA-N 1 0 342.443 2.602 10 10 EFCERO CN(C)c1ccc(C[NH+]2CCC(N(C)c3cccnn3)CC2)cc1 ZINC000093272381 473071402 /nfs/dbraw/zinc/07/14/02/473071402.db2.gz PBLPBGQJVMBDHT-UHFFFAOYSA-N 1 0 325.460 2.643 10 10 EFCERO COc1cccc(C[N@H+](C)[C@H]2CCN(c3ccccc3F)C2=O)c1O ZINC000093385581 473099786 /nfs/dbraw/zinc/09/97/86/473099786.db2.gz YDDWHVMFQOJLGX-INIZCTEOSA-N 1 0 344.386 2.777 10 10 EFCERO c1cc(O[C@@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)ccn1 ZINC000093865923 473156121 /nfs/dbraw/zinc/15/61/21/473156121.db2.gz VPEFISKLEJUSKI-HXUWFJFHSA-N 1 0 339.439 2.572 10 10 EFCERO C[C@H]([NH2+][C@@H]1CCCn2ncnc21)c1cc(Br)ccc1O ZINC000185662409 473482376 /nfs/dbraw/zinc/48/23/76/473482376.db2.gz FHBYUOXAIAHJIN-JOYOIKCWSA-N 1 0 337.221 2.932 10 10 EFCERO COc1ccc(N2CCCN(C(=O)c3ccc(C[NH3+])cc3)CC2)cc1 ZINC000178724518 473549011 /nfs/dbraw/zinc/54/90/11/473549011.db2.gz SFUDJTYUCWFTQA-UHFFFAOYSA-N 1 0 339.439 2.506 10 10 EFCERO C[C@@H]([NH2+]CCCN1C(=O)COc2ccccc21)c1cc(F)ccc1O ZINC000186079069 473586265 /nfs/dbraw/zinc/58/62/65/473586265.db2.gz HOUUFABOXCKHKR-CYBMUJFWSA-N 1 0 344.386 2.998 10 10 EFCERO Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccc(C)cc3O)C2=O)n(C)n1 ZINC000186328008 473650785 /nfs/dbraw/zinc/65/07/85/473650785.db2.gz PLIOZKMVQKYTKQ-GOEBONIOSA-N 1 0 342.443 2.589 10 10 EFCERO CC[C@H]([NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1=O)c1ccccc1O ZINC000186338395 473653448 /nfs/dbraw/zinc/65/34/48/473653448.db2.gz VCFASMSCFOTKKL-JKSUJKDBSA-N 1 0 342.443 2.670 10 10 EFCERO C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cccc(Cl)c2[O-])CC1 ZINC000180094416 473796370 /nfs/dbraw/zinc/79/63/70/473796370.db2.gz QOLJFNUMYKINEX-CYBMUJFWSA-N 1 0 326.868 2.570 10 10 EFCERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](CC)c1ccc(N(C)C)cc1)CC2 ZINC000180621739 473922123 /nfs/dbraw/zinc/92/21/23/473922123.db2.gz DBJJOVWKUCQYFP-RDJZCZTQSA-N 1 0 327.476 2.962 10 10 EFCERO C[C@@H]([NH2+]Cc1cccc(N2CCOCC2)n1)c1ccc(N(C)C)cc1 ZINC000274793879 473962900 /nfs/dbraw/zinc/96/29/00/473962900.db2.gz OXVJSIRIAWEDCX-MRXNPFEDSA-N 1 0 340.471 2.835 10 10 EFCERO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccccc1O ZINC000189050454 474275995 /nfs/dbraw/zinc/27/59/95/474275995.db2.gz NFDZWFQFNQNICP-SUMWQHHRSA-N 1 0 328.387 2.983 10 10 EFCERO CC(C)C[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1nc(-c2nc[nH]n2)no1 ZINC000183669629 474408913 /nfs/dbraw/zinc/40/89/13/474408913.db2.gz DCKHJCPWBGVUGA-WCQYABFASA-N 1 0 342.403 2.998 10 10 EFCERO COC(=O)/C=C/c1ccc(N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000266287740 474428862 /nfs/dbraw/zinc/42/88/62/474428862.db2.gz VWGZVFRJHCPKCH-MTENODCZSA-N 1 0 347.415 2.700 10 10 EFCERO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)CC1CCCC1 ZINC000276509705 474564982 /nfs/dbraw/zinc/56/49/82/474564982.db2.gz UTQGUTJXMFJORX-FQEVSTJZSA-N 1 0 332.488 2.896 10 10 EFCERO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H](O)CC1CCCC1 ZINC000276509722 474565662 /nfs/dbraw/zinc/56/56/62/474565662.db2.gz UTQGUTJXMFJORX-HXUWFJFHSA-N 1 0 332.488 2.896 10 10 EFCERO Cc1cc(C[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)ccc1N(C)C ZINC000271623402 474583039 /nfs/dbraw/zinc/58/30/39/474583039.db2.gz BVQMAWAUCKEMJG-CQSZACIVSA-N 1 0 347.484 2.559 10 10 EFCERO Cc1cc(C(=O)N2CCC[C@H]2C[NH+](C)C)c(C)n1-c1ccccn1 ZINC000268101506 474798884 /nfs/dbraw/zinc/79/88/84/474798884.db2.gz HZKCDZWZZWZTIQ-INIZCTEOSA-N 1 0 326.444 2.655 10 10 EFCERO COc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273374898 474867109 /nfs/dbraw/zinc/86/71/09/474867109.db2.gz HAWKAINKXPEAMZ-ZBEGNZNMSA-N 1 0 332.356 2.693 10 10 EFCERO CC[N@@H+]1CC[C@H]2OCCN(Cc3cc(Cl)cc(Cl)c3[O-])[C@H]2C1 ZINC000293532776 475026174 /nfs/dbraw/zinc/02/61/74/475026174.db2.gz BYWHRKAQQDREFG-LSDHHAIUSA-N 1 0 345.270 2.994 10 10 EFCERO C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000268793601 475041644 /nfs/dbraw/zinc/04/16/44/475041644.db2.gz HBJOWBHOXNULIL-GUXCAODWSA-N 1 0 329.488 2.657 10 10 EFCERO C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000268793599 475042597 /nfs/dbraw/zinc/04/25/97/475042597.db2.gz HBJOWBHOXNULIL-FTRWYGJKSA-N 1 0 329.488 2.657 10 10 EFCERO [O-]c1cc(F)c(Cl)cc1C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000293612681 475042855 /nfs/dbraw/zinc/04/28/55/475042855.db2.gz LXNIIODWEFYKLU-LBPRGKRZSA-N 1 0 342.842 2.775 10 10 EFCERO O=C([C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1)N1CCCC1 ZINC000293901349 475058582 /nfs/dbraw/zinc/05/85/82/475058582.db2.gz LAWKIMNKVYQEFF-NSHDSACASA-N 1 0 326.799 2.629 10 10 EFCERO CN(Cc1cccs1)c1ccc(C[N@@H+]2CCOC[C@H](O)C2)cc1 ZINC000294677535 475078151 /nfs/dbraw/zinc/07/81/51/475078151.db2.gz BIMYBTMZLAJEDU-QGZVFWFLSA-N 1 0 332.469 2.578 10 10 EFCERO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000294924060 475092421 /nfs/dbraw/zinc/09/24/21/475092421.db2.gz ZALSOGWSVVFEDP-KGLIPLIRSA-N 1 0 337.416 2.621 10 10 EFCERO CC[C@H]([NH2+]Cc1cc(Br)cc(C)c1O)[C@@H](O)C(F)F ZINC000295111206 475104636 /nfs/dbraw/zinc/10/46/36/475104636.db2.gz VATRAAOQWVWMFN-CMPLNLGQSA-N 1 0 338.192 2.957 10 10 EFCERO c1cc([C@H]2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)ncn1 ZINC000362622666 476331023 /nfs/dbraw/zinc/33/10/23/476331023.db2.gz OMYXVNCPKFJQBZ-SFHVURJKSA-N 1 0 338.455 2.693 10 10 EFCERO CCOc1cccc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c1O ZINC000373975128 476446037 /nfs/dbraw/zinc/44/60/37/476446037.db2.gz GLXXOIZHTZHXDU-YZVOILCLSA-N 1 0 335.444 2.949 10 10 EFCERO COc1ccc(O)c(C[N@@H+]2CC[C@@H](OCc3c(C)noc3C)C2)c1 ZINC000377684825 476519801 /nfs/dbraw/zinc/51/98/01/476519801.db2.gz YGOWAENZLSLMFK-MRXNPFEDSA-N 1 0 332.400 2.797 10 10 EFCERO CC(C)n1ncc2c1C[C@@H]([NH2+]Cc1cc3c(cc1O)OCO3)CC2 ZINC000365138845 476560773 /nfs/dbraw/zinc/56/07/73/476560773.db2.gz PVLOVZOUNIKBOJ-AWEZNQCLSA-N 1 0 329.400 2.545 10 10 EFCERO Cc1c[nH+]ccc1N1CCC(C(=O)N(C)Cc2ccccc2O)CC1 ZINC000369915970 476587922 /nfs/dbraw/zinc/58/79/22/476587922.db2.gz LUEVEEORPZOZRC-UHFFFAOYSA-N 1 0 339.439 2.971 10 10 EFCERO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](c3ccnc(N)n3)C2)c1O ZINC000368038811 477780915 /nfs/dbraw/zinc/78/09/15/477780915.db2.gz DHLNSQYERXRDNW-GFCCVEGCSA-N 1 0 332.835 2.936 10 10 EFCERO COc1cccc(C[N@@H+]2CC[C@H](OCc3c(C)noc3C)C2)c1O ZINC000368051859 477781631 /nfs/dbraw/zinc/78/16/31/477781631.db2.gz QPNDOEGBODOBCW-HNNXBMFYSA-N 1 0 332.400 2.797 10 10 EFCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ncccn2)C1 ZINC000580395933 478361785 /nfs/dbraw/zinc/36/17/85/478361785.db2.gz FCFHPLJAPXUKOQ-UHFFFAOYSA-N 1 0 349.438 2.837 10 10 EFCERO COc1cc(Br)cc(C[NH2+][C@@]23C[C@@H]2COC3(C)C)c1O ZINC000527765774 478509425 /nfs/dbraw/zinc/50/94/25/478509425.db2.gz JTZMLRWAFVWKGF-BMIGLBTASA-N 1 0 342.233 2.820 10 10 EFCERO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](O)[C@@H]2CCCO2)c1O ZINC000527958799 478588062 /nfs/dbraw/zinc/58/80/62/478588062.db2.gz WVTFXWFNBGAKNF-GDLCADMTSA-N 1 0 344.249 2.654 10 10 EFCERO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CC[NH2+]C[C@H]3C)ccc21 ZINC000565151928 478925941 /nfs/dbraw/zinc/92/59/41/478925941.db2.gz SFHQGFJPDQOKBB-FZKQIMNGSA-N 1 0 343.471 2.632 10 10 EFCERO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000566296986 479090154 /nfs/dbraw/zinc/09/01/54/479090154.db2.gz JSQQCXOENUPOHM-HZPDHXFCSA-N 1 0 331.460 2.776 10 10 EFCERO COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3C[NH2+]CC[C@H]3C)ccc21 ZINC000577526001 479594084 /nfs/dbraw/zinc/59/40/84/479594084.db2.gz RLEJPAFCUXQDPM-ACJLOTCBSA-N 1 0 343.471 2.632 10 10 EFCERO Cc1ccc(O)c(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000160175341 534193598 /nfs/dbraw/zinc/19/35/98/534193598.db2.gz BYTVHRAHXHRFPL-INIZCTEOSA-N 1 0 328.412 2.982 10 10 EFCERO CC(=O)c1cc(F)cc(C[NH+]2CCC(c3ccnn3C)CC2)c1O ZINC000175619518 527209085 /nfs/dbraw/zinc/20/90/85/527209085.db2.gz JQRWVMMZOTVAJT-UHFFFAOYSA-N 1 0 331.391 2.847 10 10 EFCERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)C12CCOCC2 ZINC000186297678 527942876 /nfs/dbraw/zinc/94/28/76/527942876.db2.gz COXIIRNAQSZMNN-ZWKOTPCHSA-N 1 0 336.451 2.956 10 10 EFCERO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)C12CCOCC2 ZINC000186297692 528142925 /nfs/dbraw/zinc/14/29/25/528142925.db2.gz COXIIRNAQSZMNN-ROUUACIJSA-N 1 0 336.451 2.956 10 10 EFCERO CCN(CC)c1ccc(CNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cc1 ZINC000174133278 528302701 /nfs/dbraw/zinc/30/27/01/528302701.db2.gz NPMBOOXEVDSQHI-IBGZPJMESA-N 1 0 342.487 2.689 10 10 EFCERO CCC(=O)N[C@H]1CCC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000129688753 528421473 /nfs/dbraw/zinc/42/14/73/528421473.db2.gz MLCZVQWCJCBYPI-HNNXBMFYSA-N 1 0 334.460 2.886 10 10 EFCERO CN1CCCc2cc(CNC(=O)NCc3ccc4c[nH+]cn4c3)ccc21 ZINC000297349314 536395855 /nfs/dbraw/zinc/39/58/55/536395855.db2.gz UOAGIGOCFKXTQA-UHFFFAOYSA-N 1 0 349.438 2.716 10 10 EFCERO CC[C@@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1ccc(C)cc1O ZINC000373559325 546149468 /nfs/dbraw/zinc/14/94/68/546149468.db2.gz BNMHGJMRMNLNHS-SJORKVTESA-N 1 0 332.444 2.521 10 10 EFCERO CC[N@@H+]1C[C@H](C)N(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000765643704 577062098 /nfs/dbraw/zinc/06/20/98/577062098.db2.gz SNQJEPCXCNEYKP-VTLBSYCISA-N 1 0 347.415 2.700 10 10 EFCERO COc1cc(C[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)c(O)cc1C ZINC000768440069 577273440 /nfs/dbraw/zinc/27/34/40/577273440.db2.gz NLHNBUWLCODNAZ-KRWDZBQOSA-N 1 0 340.423 2.772 10 10 EFCERO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C[C@@H](c2ccccc2)O1 ZINC000768442220 577273661 /nfs/dbraw/zinc/27/36/61/577273661.db2.gz KTEKGKRJQRKOIA-MJWYBRSISA-N 1 0 341.407 2.780 10 10 EFCERO CC(C)[N@H+](CCc1nccs1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768465419 577276232 /nfs/dbraw/zinc/27/62/32/577276232.db2.gz LVNUTUVEZOUPCQ-OAHLLOKOSA-N 1 0 334.441 2.728 10 10 EFCERO Oc1cccc(Cl)c1C[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000768857418 577310695 /nfs/dbraw/zinc/31/06/95/577310695.db2.gz OMFIMBZKWNAROZ-UHFFFAOYSA-N 1 0 332.835 2.963 10 10 EFCERO Fc1cc(C[NH+]2CCC(c3ncc[nH]3)CC2)ccc1N1CCOCC1 ZINC000769187991 577342886 /nfs/dbraw/zinc/34/28/86/577342886.db2.gz DFBHIGHPXXYXKU-UHFFFAOYSA-N 1 0 344.434 2.765 10 10 EFCERO C[N@H+](Cc1cc(Br)ccc1O)[C@H]1CCN(C2CC2)C1 ZINC000769326304 577352460 /nfs/dbraw/zinc/35/24/60/577352460.db2.gz IQGNRUVBLKVLMF-AWEZNQCLSA-N 1 0 325.250 2.823 10 10 EFCERO C[N@@H+](Cc1cc(-c2ccccc2)ccc1O)C[C@@H]1CCS(=O)(=O)C1 ZINC000769468432 577364807 /nfs/dbraw/zinc/36/48/07/577364807.db2.gz HWAJFRSFEDGWDC-HNNXBMFYSA-N 1 0 345.464 2.926 10 10 EFCERO CC[C@H](CO)[NH+]1CCN(Cc2ccc(N(CC)CC)c(F)c2)CC1 ZINC000769501939 577367912 /nfs/dbraw/zinc/36/79/12/577367912.db2.gz GFGXJKHZHYCOEZ-QGZVFWFLSA-N 1 0 337.483 2.560 10 10 EFCERO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)OC[C@H](C)CO)C1 ZINC000769662658 577377297 /nfs/dbraw/zinc/37/72/97/577377297.db2.gz FMEDEQOZGNMVHF-OAHLLOKOSA-N 1 0 344.455 2.579 10 10 EFCERO CCC[C@@H]1CN(Cc2cc(OCC)ccc2O)CC[N@@H+]1CCOC ZINC000770282843 577409899 /nfs/dbraw/zinc/40/98/99/577409899.db2.gz HQSIUFLEPGTNRQ-QGZVFWFLSA-N 1 0 336.476 2.724 10 10 EFCERO CCOC(=O)N(C)C1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000726966147 577425657 /nfs/dbraw/zinc/42/56/57/577425657.db2.gz CWRGIRVSVYLGBA-UHFFFAOYSA-N 1 0 332.444 2.934 10 10 EFCERO COc1ccc(N2CC[NH+](CCNc3cccc(C)n3)CC2)cc1 ZINC000771752557 581239419 /nfs/dbraw/zinc/23/94/19/581239419.db2.gz BYABEYIKSYHSBN-UHFFFAOYSA-N 1 0 326.444 2.633 10 10 EFCERO Cc1cncc(/C=C\C(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)c1 ZINC000772169660 581291913 /nfs/dbraw/zinc/29/19/13/581291913.db2.gz QDLDQDRBCMOONX-JJEJIETFSA-N 1 0 337.423 2.759 10 10 EFCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)O[C@H]2CCOC2)C1 ZINC000774077594 581481950 /nfs/dbraw/zinc/48/19/50/581481950.db2.gz FCYZYYYWOJNPEL-HNNXBMFYSA-N 1 0 342.439 2.740 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)c2cc(Cl)cn2C)cc1C ZINC001691383707 1248716505 /nfs/dbraw/zinc/71/65/05/1248716505.db2.gz PXJKDJYNAHBKMX-UHFFFAOYSA-N 1 0 349.862 2.857 10 10 EFCERO C[C@@H](N[C@@H]1C[NH2+]CCC1(F)F)c1cc(Br)ccc1O ZINC000817980027 1276419395 /nfs/dbraw/zinc/41/93/95/1276419395.db2.gz HTGMXVSRJTVJPR-PRHODGIISA-N 1 0 335.192 2.803 10 10 EFCERO COC[C@H](CC[NH2+][C@@H](C)c1cc(Br)ccc1O)OC ZINC000850485825 1250501886 /nfs/dbraw/zinc/50/18/86/1250501886.db2.gz OATOSXGHBWTWPM-JQWIXIFHSA-N 1 0 332.238 2.857 10 10 EFCERO Cc1ccc([C@H](C)[NH2+]CCS(=O)(=O)CC(F)(F)F)c(O)c1C ZINC000850520183 1250523294 /nfs/dbraw/zinc/52/32/94/1250523294.db2.gz UBTRNUAJQPHNGD-NSHDSACASA-N 1 0 339.379 2.637 10 10 EFCERO Cc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)CC(F)(F)F)c(O)c1C ZINC000850520182 1250524219 /nfs/dbraw/zinc/52/42/19/1250524219.db2.gz UBTRNUAJQPHNGD-LLVKDONJSA-N 1 0 339.379 2.637 10 10 EFCERO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000850033762 1250234579 /nfs/dbraw/zinc/23/45/79/1250234579.db2.gz DQFRFKXIGCAEAF-XOKHGSTOSA-N 1 0 334.485 2.527 10 10 EFCERO CCC[N@@H+]1CCCC[C@H]1C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000109442405 1248088642 /nfs/dbraw/zinc/08/86/42/1248088642.db2.gz AWTVGKCSCMAPIR-IBGZPJMESA-N 1 0 345.487 2.608 10 10 EFCERO CCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000109442403 1248088836 /nfs/dbraw/zinc/08/88/36/1248088836.db2.gz AWTVGKCSCMAPIR-LJQANCHMSA-N 1 0 345.487 2.608 10 10 EFCERO COCC[C@H](COC)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850306579 1250414812 /nfs/dbraw/zinc/41/48/12/1250414812.db2.gz XIXKXVMYSAIVGK-CQSZACIVSA-N 1 0 325.449 2.839 10 10 EFCERO CC(C)(C)N1CC[C@@H]1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000850343088 1250439480 /nfs/dbraw/zinc/43/94/80/1250439480.db2.gz KYCIEYYPVILDRW-MRXNPFEDSA-N 1 0 335.467 2.625 10 10 EFCERO COc1ccc(N2CC[C@H]([NH2+]Cc3ccccc3-n3cncn3)C2)cc1 ZINC000850346419 1250440513 /nfs/dbraw/zinc/44/05/13/1250440513.db2.gz UWOAQUKEOMIDJS-KRWDZBQOSA-N 1 0 349.438 2.644 10 10 EFCERO COC[C@H](CC[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)OC ZINC000850346681 1250441044 /nfs/dbraw/zinc/44/10/44/1250441044.db2.gz WTKZKEHQEROCGU-AWEZNQCLSA-N 1 0 325.449 2.839 10 10 EFCERO Cc1cc(O)c(C[NH2+]CCC2(CS(C)(=O)=O)CC2)c(Cl)c1 ZINC000850344898 1250441804 /nfs/dbraw/zinc/44/18/04/1250441804.db2.gz BAKSFTBKMCFCDW-UHFFFAOYSA-N 1 0 331.865 2.659 10 10 EFCERO CCOc1ccc(C[NH2+]Cc2cnc(C(F)(F)F)nc2)c(O)c1 ZINC000850345061 1250442569 /nfs/dbraw/zinc/44/25/69/1250442569.db2.gz HYDUODNWLYTWKJ-UHFFFAOYSA-N 1 0 327.306 2.890 10 10 EFCERO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccc(-n4cncn4)cc3)C2)cc1 ZINC000850345901 1250442792 /nfs/dbraw/zinc/44/27/92/1250442792.db2.gz NJAWDOSFNLUBAI-QGZVFWFLSA-N 1 0 349.438 2.644 10 10 EFCERO CN(C)c1ccc(/C=C\C[NH2+]CC[S@@](=O)CC(F)(F)F)cc1 ZINC000850348966 1250444015 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COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(CNC(C)=O)cc2)c1 ZINC000850484622 1250499830 /nfs/dbraw/zinc/49/98/30/1250499830.db2.gz NBIQTDRHIGTIQW-ZDUSSCGKSA-N 1 0 328.412 2.888 10 10 EFCERO CO[C@H](C[NH2+][C@H](C)c1cc(Br)ccc1O)[C@@H]1CCOC1 ZINC000850484643 1250500009 /nfs/dbraw/zinc/50/00/09/1250500009.db2.gz NKKAMWPQWCERTA-UEKVPHQBSA-N 1 0 344.249 2.857 10 10 EFCERO COc1ccc(N2CC[C@H]([NH2+][C@@H](Cn3cccn3)C(C)C)C2)cc1 ZINC000850489270 1250500443 /nfs/dbraw/zinc/50/04/43/1250500443.db2.gz SLGPOJVODMDACK-LPHOPBHVSA-N 1 0 328.460 2.785 10 10 EFCERO CO[C@H](C[NH2+][C@@H](C)c1ccc(Br)cc1O)[C@H]1CCOC1 ZINC000850485130 1250502017 /nfs/dbraw/zinc/50/20/17/1250502017.db2.gz XVRAZSSBQBIBIS-ZIBATOQPSA-N 1 0 344.249 2.857 10 10 EFCERO C[C@@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1cc(Cl)ccc1O ZINC000850485463 1250502151 /nfs/dbraw/zinc/50/21/51/1250502151.db2.gz JCYBNQZNGNTSIE-LLVKDONJSA-N 1 0 331.865 2.911 10 10 EFCERO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)Cc3cccc(OC)n3)C2)cc1 ZINC000850488075 1250503730 /nfs/dbraw/zinc/50/37/30/1250503730.db2.gz KXOYZQRATWGBSG-RDJZCZTQSA-N 1 0 341.455 2.898 10 10 EFCERO C[C@@H]([NH2+][C@@H](CO)C1CCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000850486976 1250504582 /nfs/dbraw/zinc/50/45/82/1250504582.db2.gz DZZRPRGOZCIMFL-ACJLOTCBSA-N 1 0 338.879 2.988 10 10 EFCERO CC[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1ccc(C)cc1O ZINC000850518136 1250519958 /nfs/dbraw/zinc/51/99/58/1250519958.db2.gz LOSDVIKLUWJXNI-GFCCVEGCSA-N 1 0 339.379 2.718 10 10 EFCERO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](c2ccccc2)[C@H](C)O)c1 ZINC000850585171 1250548476 /nfs/dbraw/zinc/54/84/76/1250548476.db2.gz WMMKEXUKMXXZSY-ZJNRKIDTSA-N 1 0 329.396 2.952 10 10 EFCERO COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCCCCC[C@H]3[NH3+])C2)cc1 ZINC000851639382 1251161435 /nfs/dbraw/zinc/16/14/35/1251161435.db2.gz DUPCMUKEMJFWAW-ZYSHUDEJSA-N 1 0 345.487 2.688 10 10 EFCERO COc1ccc(N2CC[C@H](NC(=O)c3ccc([C@H](C)[NH3+])cc3)C2)cc1 ZINC000851639687 1251161807 /nfs/dbraw/zinc/16/18/07/1251161807.db2.gz JSCUHODIUNHUGR-YOEHRIQHSA-N 1 0 339.439 2.724 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)cc1C ZINC001691631091 1251884214 /nfs/dbraw/zinc/88/42/14/1251884214.db2.gz QFNYQEVWBAXVOK-JMKWWQJESA-N 1 0 342.483 2.844 10 10 EFCERO O[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)C(F)(F)C(F)(F)F ZINC000922336903 1265617728 /nfs/dbraw/zinc/61/77/28/1265617728.db2.gz GBMRSUCOUSOKTE-LBPRGKRZSA-N 1 0 325.277 2.660 10 10 EFCERO CCC1(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CCCC1 ZINC001687441608 1252600182 /nfs/dbraw/zinc/60/01/82/1252600182.db2.gz SGDFMVKUQBHZPH-UHFFFAOYSA-N 1 0 344.503 2.960 10 10 EFCERO Fc1cc(C[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)ccc1N1CCOCC1 ZINC000921553856 1257261939 /nfs/dbraw/zinc/26/19/39/1257261939.db2.gz XMPJXSQIZGCVKF-OKZBNKHCSA-N 1 0 348.462 2.957 10 10 EFCERO Fc1cc(C[NH2+]Cc2cccc3c2NCC3)ccc1N1CCOCC1 ZINC000843126410 1260618011 /nfs/dbraw/zinc/61/80/11/1260618011.db2.gz QKICYQIVVSCRET-UHFFFAOYSA-N 1 0 341.430 2.920 10 10 EFCERO CCOC1CC(C(=O)N(C)C[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001485870897 1262454710 /nfs/dbraw/zinc/45/47/10/1262454710.db2.gz LQJJQUICWIYQKE-ZLPCBKJTSA-N 1 0 348.487 2.755 10 10 EFCERO CCOC1CC(C(=O)N(C)C[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001485870895 1262454749 /nfs/dbraw/zinc/45/47/49/1262454749.db2.gz LQJJQUICWIYQKE-FAEJEUNOSA-N 1 0 348.487 2.755 10 10 EFCERO C[C@@H]1[C@@H]([NH2+]C/C=C\Cl)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001486095626 1262618436 /nfs/dbraw/zinc/61/84/36/1262618436.db2.gz LQCZZWOLXJRQBN-ZIORRDLGSA-N 1 0 349.822 2.794 10 10 EFCERO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)COC(C)(C)C)C2)cc1C ZINC001486110075 1262642009 /nfs/dbraw/zinc/64/20/09/1262642009.db2.gz SVOCJDOSBHFZBN-NVXWUHKLSA-N 1 0 348.487 2.898 10 10 EFCERO Cc1cc(N2CCC[C@@H]([NH2+]Cc3ccc4c(c3)CCCO4)C2)n(C)n1 ZINC000922064729 1264260296 /nfs/dbraw/zinc/26/02/96/1264260296.db2.gz RBDZXWTVBFMLKG-GOSISDBHSA-N 1 0 340.471 2.812 10 10 EFCERO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000824625592 1278227340 /nfs/dbraw/zinc/22/73/40/1278227340.db2.gz KLWBNEDSOMUWJN-MOPGFXCFSA-N 1 0 346.471 2.735 10 10 EFCERO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H](CO)c1ccccc1 ZINC000824697197 1278229413 /nfs/dbraw/zinc/22/94/13/1278229413.db2.gz ZTUZEQOOXYAZMH-FQEVSTJZSA-N 1 0 326.440 2.689 10 10 EFCERO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccnn3C3CCC3)C2)cc1 ZINC000922238516 1265055259 /nfs/dbraw/zinc/05/52/59/1265055259.db2.gz UYLTWMQFZJQEHO-OAHLLOKOSA-N 1 0 326.444 2.985 10 10 EFCERO Oc1cc2c(cc1C[N@@H+]1CCCN(CC(F)(F)F)CC1)CCC2 ZINC000738068083 1268309971 /nfs/dbraw/zinc/30/99/71/1268309971.db2.gz WWQPKENDIWVASI-UHFFFAOYSA-N 1 0 328.378 2.951 10 10 EFCERO CC[C@@H]1COCC[N@@H+]1Cc1c(O)c(C(=O)OC)cc2ccccc21 ZINC000738085476 1268320113 /nfs/dbraw/zinc/32/01/13/1268320113.db2.gz UHYGJRQNFMACCD-CQSZACIVSA-N 1 0 329.396 2.943 10 10 EFCERO COC(=O)c1cc2ccccc2c(CN2CCC[C@@H]([NH+](C)C)C2)c1O ZINC000738144475 1268350845 /nfs/dbraw/zinc/35/08/45/1268350845.db2.gz PQSSXOUZJCOQMJ-OAHLLOKOSA-N 1 0 342.439 2.858 10 10 EFCERO [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000825124755 1278418850 /nfs/dbraw/zinc/41/88/50/1278418850.db2.gz XJYJZLMNMPKLLG-JVXZTZIISA-N 1 0 327.705 2.930 10 10 EFCERO COc1cc(Cl)cc(C[N@@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)c1O ZINC000825124402 1278420551 /nfs/dbraw/zinc/42/05/51/1278420551.db2.gz PFDJFQHOERBSFD-SDBXPKJASA-N 1 0 339.741 2.799 10 10 EFCERO C[N@H+](Cc1cc2c(cc1O)OCO2)C1CCN(CC(F)(F)F)CC1 ZINC000825294650 1278494893 /nfs/dbraw/zinc/49/48/93/1278494893.db2.gz VQEQBTNPFPDUOK-UHFFFAOYSA-N 1 0 346.349 2.579 10 10 EFCERO COc1cccc(O)c1C[N@H+](C)C1CCN(CC(F)(F)F)CC1 ZINC000825294575 1278495485 /nfs/dbraw/zinc/49/54/85/1278495485.db2.gz UEXIRXDPEDAASN-UHFFFAOYSA-N 1 0 332.366 2.859 10 10 EFCERO CC[NH+]1CCN(c2ccc(CNC(=O)N3[C@H](C)C[C@@H]3C)cc2F)CC1 ZINC000792077129 1278532563 /nfs/dbraw/zinc/53/25/63/1278532563.db2.gz WJZJGMNGDFSTSM-GASCZTMLSA-N 1 0 348.466 2.660 10 10 EFCERO c1cc(N2CCOCC2)ccc1C[NH2+][C@H](C1CC1)[C@H]1CCCOC1 ZINC000922893625 1270771063 /nfs/dbraw/zinc/77/10/63/1270771063.db2.gz VLFNKHIWQPUYIB-AZUAARDMSA-N 1 0 330.472 2.818 10 10 EFCERO Cc1cc(N(C)C)ccc1CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000745826711 1271649167 /nfs/dbraw/zinc/64/91/67/1271649167.db2.gz AAVQRQXSZFOBMT-YJBOKZPZSA-N 1 0 332.492 2.685 10 10 EFCERO Cc1cc(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c(C)n1-c1ccccn1 ZINC000844197085 1278801967 /nfs/dbraw/zinc/80/19/67/1278801967.db2.gz QEHRZSOWXBAOJF-HXUWFJFHSA-N 1 0 338.455 2.705 10 10 EFCERO Cc1cc(O)c(C[NH2+][C@@H](C)[C@H](O)c2ccc3c(c2)OCO3)cc1C ZINC000785581710 1275118541 /nfs/dbraw/zinc/11/85/41/1275118541.db2.gz MXMOGRPLPRWWTB-DJJJIMSYSA-N 1 0 329.396 2.949 10 10 EFCERO Fc1cc(C[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)ccc1N1CCOCC1 ZINC000922898549 1276276969 /nfs/dbraw/zinc/27/69/69/1276276969.db2.gz SHUVBYXJEMCSQF-XLIONFOSSA-N 1 0 348.462 2.957 10 10 EFCERO C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cc(Br)c(F)cc1[O-] ZINC000817954102 1276397831 /nfs/dbraw/zinc/39/78/31/1276397831.db2.gz BSRRCOPWCDOJIJ-NXEZZACHSA-N 1 0 331.229 2.944 10 10 EFCERO C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1cc(Br)cc(F)c1[O-] ZINC000817971261 1276414704 /nfs/dbraw/zinc/41/47/04/1276414704.db2.gz LLDFHRGWQSPEKP-RVBZMBCESA-N 1 0 331.229 2.942 10 10 EFCERO C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1cc(Br)cc(F)c1[O-] ZINC000817971263 1276414717 /nfs/dbraw/zinc/41/47/17/1276414717.db2.gz LLDFHRGWQSPEKP-ZDMBXUJBSA-N 1 0 331.229 2.942 10 10 EFCERO C[C@H](N[C@@H]1C[NH2+]CCC1(F)F)c1ccc(Br)cc1O ZINC000817980989 1276421595 /nfs/dbraw/zinc/42/15/95/1276421595.db2.gz ORUSBTSSKQNTIH-QPUJVOFHSA-N 1 0 335.192 2.803 10 10 EFCERO C[C@@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000818110829 1276465315 /nfs/dbraw/zinc/46/53/15/1276465315.db2.gz AXJKBTJFTVDRTR-CRAIPNDOSA-N 1 0 345.487 2.573 10 10 EFCERO OC1CCN(c2ccc(C[NH2+]C3([C@H]4CCCCO4)CC3)cc2)CC1 ZINC000923028929 1276566907 /nfs/dbraw/zinc/56/69/07/1276566907.db2.gz VUXYCMWQACAABB-LJQANCHMSA-N 1 0 330.472 2.839 10 10 EFCERO OC1CCN(c2ccc(C[NH2+]CC3(O)CCCCC3)cc2F)CC1 ZINC000819121118 1276639873 /nfs/dbraw/zinc/63/98/73/1276639873.db2.gz GZVMNJSQMKPCTI-UHFFFAOYSA-N 1 0 336.451 2.572 10 10 EFCERO COc1cc([N+](=O)[O-])c(N2CCC3(C2)CC[NH+](C)CC3)cc1OC ZINC000820581573 1277237569 /nfs/dbraw/zinc/23/75/69/1277237569.db2.gz WTLDDYNMSUDZND-UHFFFAOYSA-N 1 0 335.404 2.534 10 10 EFCERO Cc1ccccc1OC[C@H](O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000923285404 1277489837 /nfs/dbraw/zinc/48/98/37/1277489837.db2.gz BHBZMDNBQFXELU-GOSISDBHSA-N 1 0 326.440 2.646 10 10 EFCERO Cn1cc([C@@H]2CSCC[N@@H+]2Cc2cc3c(cc2O)CCC3)cn1 ZINC000790470230 1277579287 /nfs/dbraw/zinc/57/92/87/1277579287.db2.gz AGOKLPCPRIXDFK-KRWDZBQOSA-N 1 0 329.469 2.905 10 10 EFCERO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792790902 1279154278 /nfs/dbraw/zinc/15/42/78/1279154278.db2.gz VDPVWODRTVNJLY-GFCCVEGCSA-N 1 0 330.350 2.766 10 10 EFCERO Oc1cc2c(cc1C[NH+]1CCC3(CC1)C(F)(F)C3(F)F)OCO2 ZINC000844718090 1279197253 /nfs/dbraw/zinc/19/72/53/1279197253.db2.gz FBNZYPBKZWJNLN-UHFFFAOYSA-N 1 0 333.281 2.987 10 10 EFCERO CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000792931663 1279282718 /nfs/dbraw/zinc/28/27/18/1279282718.db2.gz XALNNKFYLOUVKC-DOTOQJQBSA-N 1 0 336.451 2.834 10 10 EFCERO CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000792931665 1279283002 /nfs/dbraw/zinc/28/30/02/1279283002.db2.gz XALNNKFYLOUVKC-NVXWUHKLSA-N 1 0 336.451 2.834 10 10 EFCERO C[NH+](C)CC1CCC(NC(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000845070732 1279432281 /nfs/dbraw/zinc/43/22/81/1279432281.db2.gz XHNQAYGTOYJLDM-UHFFFAOYSA-N 1 0 339.867 2.965 10 10 EFCERO COc1cc(Br)cc(C[NH2+]Cc2ncccc2O)c1O ZINC000793259119 1279483219 /nfs/dbraw/zinc/48/32/19/1279483219.db2.gz SIKAJYVSLZEHJX-UHFFFAOYSA-N 1 0 339.189 2.554 10 10 EFCERO COc1ccc(O)c([C@H](C)NC(=O)NC2CC([NH+]3CCCCC3)C2)c1 ZINC000793266936 1279487415 /nfs/dbraw/zinc/48/74/15/1279487415.db2.gz OPAZCBPOMNEVRD-NFOMZHRRSA-N 1 0 347.459 2.778 10 10 EFCERO O=C(NCc1cc(Cl)ccc1O)NC1CC[NH+](C2CCC2)CC1 ZINC000845242134 1279514197 /nfs/dbraw/zinc/51/41/97/1279514197.db2.gz GQFCNKWMSRMWPG-UHFFFAOYSA-N 1 0 337.851 2.862 10 10 EFCERO COc1cc(Cl)cc(C[N@H+](CCO)Cc2ccc(C)o2)c1O ZINC000793365694 1279576876 /nfs/dbraw/zinc/57/68/76/1279576876.db2.gz MIBCJPRDBMKSMV-UHFFFAOYSA-N 1 0 325.792 2.950 10 10 EFCERO COc1c[nH+]ccc1N1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000793369035 1279579765 /nfs/dbraw/zinc/57/97/65/1279579765.db2.gz BIVVDQOQHZWVLD-UHFFFAOYSA-N 1 0 333.819 2.771 10 10 EFCERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)[C@H]1n1cccn1 ZINC000815167232 1287362988 /nfs/dbraw/zinc/36/29/88/1287362988.db2.gz VNJQEMDRGVBIKF-CGTJXYLNSA-N 1 0 332.423 2.597 10 10 EFCERO C[C@@H]1C[C@H]([NH2+][C@H](CO)C[C@H](O)C(C)(C)C)c2c1c(F)ccc2O ZINC000793573366 1279771156 /nfs/dbraw/zinc/77/11/56/1279771156.db2.gz QCWYDWJDQOFGGV-MPXAEWJHSA-N 1 0 325.424 2.827 10 10 EFCERO CCOc1cccc(C[NH2+]C[C@@]2(CO)CCc3ccccc32)c1O ZINC000846010917 1279975768 /nfs/dbraw/zinc/97/57/68/1279975768.db2.gz KFPQFHSJWXXRSM-HXUWFJFHSA-N 1 0 327.424 2.757 10 10 EFCERO COc1ccc(O)c([C@H](C)[NH2+]C[C@]2(CO)CCc3ccccc32)c1 ZINC000846012357 1279977184 /nfs/dbraw/zinc/97/71/84/1279977184.db2.gz YPYXBTSUONFFLM-XOBRGWDASA-N 1 0 327.424 2.928 10 10 EFCERO C[C@H](O)[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1F ZINC000846015961 1279978055 /nfs/dbraw/zinc/97/80/55/1279978055.db2.gz FERICBVLDHXGBI-MGPUTAFESA-N 1 0 344.430 2.874 10 10 EFCERO CCON(C)C(=O)C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000846064224 1280015699 /nfs/dbraw/zinc/01/56/99/1280015699.db2.gz RIIXJXZRTKRBFT-UHFFFAOYSA-N 1 0 347.484 2.884 10 10 EFCERO C[C@@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)C2(CCC2)CO1 ZINC000846067853 1280018391 /nfs/dbraw/zinc/01/83/91/1280018391.db2.gz ZAEKFWUPKAGESE-OAHLLOKOSA-N 1 0 334.435 2.806 10 10 EFCERO CN(C)c1ccc(C[NH2+][C@H]2CCCc3c2ccc(=O)n3C)cc1F ZINC000846113044 1280021312 /nfs/dbraw/zinc/02/13/12/1280021312.db2.gz YGPULFZPWSRWIP-INIZCTEOSA-N 1 0 329.419 2.758 10 10 EFCERO COc1cccc([C@@H](C)[NH2+][C@H]2CCCN(c3cc(C)nn3C)C2)c1O ZINC000846165454 1280044150 /nfs/dbraw/zinc/04/41/50/1280044150.db2.gz MPNBETYTESKDKY-CABCVRRESA-N 1 0 344.459 2.762 10 10 EFCERO COc1cccc([C@H](C)[NH2+][C@@H]2CCCN(c3cc(C)nn3C)C2)c1O ZINC000846165457 1280044640 /nfs/dbraw/zinc/04/46/40/1280044640.db2.gz MPNBETYTESKDKY-LSDHHAIUSA-N 1 0 344.459 2.762 10 10 EFCERO COc1cccc([C@H](C)[NH2+]C[C@]2(CO)CCc3ccccc32)c1O ZINC000846182595 1280061788 /nfs/dbraw/zinc/06/17/88/1280061788.db2.gz WUPZTYXEAGNWAP-XOBRGWDASA-N 1 0 327.424 2.928 10 10 EFCERO CCN1C[C@@H](C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)OC1=O ZINC000846766296 1280467432 /nfs/dbraw/zinc/46/74/32/1280467432.db2.gz QSVZTKHEOSUMCI-GOSISDBHSA-N 1 0 331.460 2.949 10 10 EFCERO C[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1cc(F)ccc1O ZINC000872118937 1287434233 /nfs/dbraw/zinc/43/42/33/1287434233.db2.gz LTYIGBZIHLPNDL-WDFAYWTNSA-N 1 0 327.421 2.538 10 10 EFCERO COC(=O)[C@@](C)(O)C[N@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000808742312 1281891905 /nfs/dbraw/zinc/89/19/05/1281891905.db2.gz OQZABXWCILWWIN-QRWLVFNGSA-N 1 0 343.423 2.879 10 10 EFCERO O=C1CC[N@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)CCN1 ZINC000809565938 1282284135 /nfs/dbraw/zinc/28/41/35/1282284135.db2.gz FEEUKARASOECDL-UHFFFAOYSA-N 1 0 335.451 2.571 10 10 EFCERO O=C(CC(F)(F)F)NC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000809690210 1282373969 /nfs/dbraw/zinc/37/39/69/1282373969.db2.gz KIQWWJIYLXWSNE-NSHDSACASA-N 1 0 348.340 2.812 10 10 EFCERO CCOc1ccc(C[N@@H+]2CCC[C@H](c3ccnc(N)n3)C2)c(O)c1 ZINC000809662639 1282391977 /nfs/dbraw/zinc/39/19/77/1282391977.db2.gz BJXCJWVUIAVEQV-ZDUSSCGKSA-N 1 0 328.416 2.543 10 10 EFCERO COC(=O)N1CCC(C[NH2+]Cc2cc(Cl)cc(C)c2O)CC1 ZINC000809709981 1282421625 /nfs/dbraw/zinc/42/16/25/1282421625.db2.gz KDZCXMKBEFDUBW-UHFFFAOYSA-N 1 0 326.824 2.922 10 10 EFCERO COc1cc(Br)cc(C[NH2+][C@@](C)(CO)C(C)C)c1O ZINC000810172959 1282963998 /nfs/dbraw/zinc/96/39/98/1282963998.db2.gz SEJQHMDFNXCJIS-AWEZNQCLSA-N 1 0 332.238 2.660 10 10 EFCERO CN(C)c1ccc(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)cc1F ZINC000810266234 1283081117 /nfs/dbraw/zinc/08/11/17/1283081117.db2.gz XXANKTPIONUSQT-GOSISDBHSA-N 1 0 339.430 2.720 10 10 EFCERO COCC[C@@H](COC)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000810256759 1283107740 /nfs/dbraw/zinc/10/77/40/1283107740.db2.gz FVNPGTLJTRWQHP-PWSUYJOCSA-N 1 0 332.238 2.857 10 10 EFCERO COc1ccc(O)c([C@@H](C)NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)c1 ZINC000810347975 1283169319 /nfs/dbraw/zinc/16/93/19/1283169319.db2.gz OVVXSSVTRRYCCB-XIKOKIGWSA-N 1 0 338.423 2.791 10 10 EFCERO COc1ccc(O)c([C@H](C)NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)c1 ZINC000810347974 1283169439 /nfs/dbraw/zinc/16/94/39/1283169439.db2.gz OVVXSSVTRRYCCB-SGTLLEGYSA-N 1 0 338.423 2.791 10 10 EFCERO Cc1cc(C)c([C@@H](C)[NH2+]CCC2CCS(=O)(=O)CC2)c(O)c1 ZINC000815600507 1287625788 /nfs/dbraw/zinc/62/57/88/1287625788.db2.gz WDKBBKPYHXKYQD-CQSZACIVSA-N 1 0 325.474 2.875 10 10 EFCERO CCOc1ccc(O)c(C[NH2+][C@@H]2CC(=O)N(c3ccccc3F)C2)c1 ZINC000812782658 1285415622 /nfs/dbraw/zinc/41/56/22/1285415622.db2.gz CDVBRZFEIADKME-CQSZACIVSA-N 1 0 344.386 2.825 10 10 EFCERO COc1ccc(O)c([C@H](C)[NH2+]Cc2cnc3nc(C)cc(C)n23)c1 ZINC000813330769 1285814100 /nfs/dbraw/zinc/81/41/00/1285814100.db2.gz GZVNCLNXNVIZSY-ZDUSSCGKSA-N 1 0 326.400 2.911 10 10 EFCERO c1ccc(CN2CCc3cc(C[NH2+]C4COCCOC4)ccc32)cc1 ZINC000813789558 1286119299 /nfs/dbraw/zinc/11/92/99/1286119299.db2.gz UASRDGBNIVIRPR-UHFFFAOYSA-N 1 0 338.451 2.754 10 10 EFCERO CN(C)c1ccc(CN2CC[C@H]3C[N@H+](C)C[C@@H]32)c(C(F)(F)F)c1 ZINC000814172814 1286354391 /nfs/dbraw/zinc/35/43/91/1286354391.db2.gz AOJONCMRSZLLBW-BBRMVZONSA-N 1 0 327.394 2.907 10 10 EFCERO Cc1cc(Br)cc(CN2CC[C@H]3C[N@@H+](C)C[C@H]32)c1O ZINC000814173940 1286356775 /nfs/dbraw/zinc/35/67/75/1286356775.db2.gz TVLSHHXTNPVXSL-SMDDNHRTSA-N 1 0 325.250 2.599 10 10 EFCERO COCC[N@H+](CCC(=O)OC(C)(C)C)Cc1ccc(N(C)C)cc1 ZINC001176832722 1288141465 /nfs/dbraw/zinc/14/14/65/1288141465.db2.gz GOHYLQJNAMBDPG-UHFFFAOYSA-N 1 0 336.476 2.933 10 10 EFCERO Cn1ccnc1CN1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816504391 1288175451 /nfs/dbraw/zinc/17/54/51/1288175451.db2.gz LPDPAVUBLZGVMF-UHFFFAOYSA-N 1 0 336.439 2.597 10 10 EFCERO CCn1nccc1C[N@H+](CCO)Cc1ccc2ccccc2c1O ZINC000816595322 1288218210 /nfs/dbraw/zinc/21/82/10/1288218210.db2.gz JODHOTZPWVJHQQ-UHFFFAOYSA-N 1 0 325.412 2.756 10 10 EFCERO C[C@H](Cc1ccoc1)[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000824086118 1289537170 /nfs/dbraw/zinc/53/71/70/1289537170.db2.gz SKZIGJIFMOGOOT-QAPCUYQASA-N 1 0 341.455 2.702 10 10 EFCERO O=C1OCCN1C[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000824450942 1289654570 /nfs/dbraw/zinc/65/45/70/1289654570.db2.gz CVKREZRWLDCVEX-CQSZACIVSA-N 1 0 326.396 2.820 10 10 EFCERO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)c1 ZINC000824517499 1289677982 /nfs/dbraw/zinc/67/79/82/1289677982.db2.gz XABQKMKHQGFWHS-OLZOCXBDSA-N 1 0 347.436 2.623 10 10 EFCERO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1cc(Br)cc(OC)c1O ZINC000824635357 1289731237 /nfs/dbraw/zinc/73/12/37/1289731237.db2.gz HKLBZGPCZKMHJN-ZWNOBZJWSA-N 1 0 344.249 2.756 10 10 EFCERO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1cc(Br)cc(OC)c1O ZINC000824635356 1289732249 /nfs/dbraw/zinc/73/22/49/1289732249.db2.gz HKLBZGPCZKMHJN-MFKMUULPSA-N 1 0 344.249 2.756 10 10 EFCERO COc1cc(C[N@@H+]2CCCC[C@H]2CC(N)=O)c(O)c(C(C)(C)C)c1 ZINC000824632280 1289732475 /nfs/dbraw/zinc/73/24/75/1289732475.db2.gz CKTJXTSGIBHXTM-AWEZNQCLSA-N 1 0 334.460 2.928 10 10 EFCERO CC[C@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)[C@H](O)C(F)F ZINC000824637568 1289734605 /nfs/dbraw/zinc/73/46/05/1289734605.db2.gz YHSDWTNQZJRYFF-HOTGVXAUSA-N 1 0 328.403 2.658 10 10 EFCERO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@@H]1CC12CC2 ZINC000817549909 1289957658 /nfs/dbraw/zinc/95/76/58/1289957658.db2.gz PFIFBZOGBMTOKK-GJZGRUSLSA-N 1 0 334.847 2.926 10 10 EFCERO CCOc1ccc(O)c(C[NH2+][C@H](CC(=O)NC)c2ccccc2)c1 ZINC000795608168 1290654244 /nfs/dbraw/zinc/65/42/44/1290654244.db2.gz XAANYYULKRYPOQ-QGZVFWFLSA-N 1 0 328.412 2.758 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2ccnc(F)c2)cc1C ZINC001277770169 1312868794 /nfs/dbraw/zinc/86/87/94/1312868794.db2.gz AJBDERGYWOWYAH-AWEZNQCLSA-N 1 0 345.418 2.788 10 10 EFCERO COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC000775350432 1291999284 /nfs/dbraw/zinc/99/92/84/1291999284.db2.gz LVYHYFGJKHSCPW-DZGCQCFKSA-N 1 0 337.439 2.848 10 10 EFCERO Cc1cc(CC[NH2+][C@H]2CCCS(=O)(=O)C2)c(C)n1-c1ccccc1 ZINC000775363723 1292040533 /nfs/dbraw/zinc/04/05/33/1292040533.db2.gz LPOFTRNYUUKDNM-SFHVURJKSA-N 1 0 346.496 2.803 10 10 EFCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@@H](C)[C@@H]1CCCO1 ZINC001273596466 1292053645 /nfs/dbraw/zinc/05/36/45/1292053645.db2.gz IORLQXKHBWNJEO-LPHOPBHVSA-N 1 0 348.487 2.757 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)CC2CCOCC2)cc1C ZINC001277784109 1312912994 /nfs/dbraw/zinc/91/29/94/1312912994.db2.gz ZIBUWHDRBWFFPT-INIZCTEOSA-N 1 0 348.487 2.757 10 10 EFCERO CCOCCCCCC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881854322 1293031289 /nfs/dbraw/zinc/03/12/89/1293031289.db2.gz BNHNDJXCSCTRNB-UHFFFAOYSA-N 1 0 347.503 2.652 10 10 EFCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)[C@H]2CCCOCC2)cc1C ZINC001273991187 1294058564 /nfs/dbraw/zinc/05/85/64/1294058564.db2.gz ORLOJKYDLXKAIW-WHLIDYPQSA-N 1 0 346.471 2.582 10 10 EFCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCCOCC2)cc1C ZINC001273991186 1294059060 /nfs/dbraw/zinc/05/90/60/1294059060.db2.gz ORLOJKYDLXKAIW-OAJJDEHYSA-N 1 0 346.471 2.582 10 10 EFCERO CC1(C)CO[C@H](CC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000886305596 1294838261 /nfs/dbraw/zinc/83/82/61/1294838261.db2.gz LSBPQDYZSQAHHD-LJQANCHMSA-N 1 0 332.488 2.943 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)C2CCC(O)CC2)cc1C ZINC001274706379 1296143149 /nfs/dbraw/zinc/14/31/49/1296143149.db2.gz ILFCBMPDECKYCU-ZLPCBKJTSA-N 1 0 348.487 2.539 10 10 EFCERO CCc1ncoc1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001277928536 1313257758 /nfs/dbraw/zinc/25/77/58/1313257758.db2.gz GUYRNQYVFZNCAG-CQSZACIVSA-N 1 0 345.443 2.804 10 10 EFCERO C[C@H](NC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1)c1ccccc1O ZINC000925917972 1296886637 /nfs/dbraw/zinc/88/66/37/1296886637.db2.gz AMAQHHRJARWKLI-YOEHRIQHSA-N 1 0 342.443 2.840 10 10 EFCERO C[C@H]1COC[C@H](C)C1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000926560070 1296934842 /nfs/dbraw/zinc/93/48/42/1296934842.db2.gz QUUMHCQJIXBIAO-STQMWFEESA-N 1 0 340.414 2.562 10 10 EFCERO C[C@@H]([NH2+]CC[C@@H]1CNC(=O)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000926989493 1296978608 /nfs/dbraw/zinc/97/86/08/1296978608.db2.gz XBTRCSUDRUYRNM-CABCVRRESA-N 1 0 333.451 2.993 10 10 EFCERO c1cc(N2CCCCC2)ccc1C[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC001201677022 1296986887 /nfs/dbraw/zinc/98/68/87/1296986887.db2.gz XGOLMUKKBMSNAG-IBGZPJMESA-N 1 0 346.471 2.689 10 10 EFCERO O=C(NCc1c(O)cccc1F)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000928710282 1297125612 /nfs/dbraw/zinc/12/56/12/1297125612.db2.gz ABTXZOZRZGCUHI-QGZVFWFLSA-N 1 0 328.387 2.812 10 10 EFCERO CCN(CC)c1ccc(CN(C)C(=O)COC2CC[NH+](C)CC2)cc1 ZINC000929536737 1297190232 /nfs/dbraw/zinc/19/02/32/1297190232.db2.gz DNQLHLWBCQHPCS-UHFFFAOYSA-N 1 0 347.503 2.602 10 10 EFCERO Cc1cc(C2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)[nH]n1 ZINC000930172303 1297246019 /nfs/dbraw/zinc/24/60/19/1297246019.db2.gz AOZZGFLWAIOJFP-UHFFFAOYSA-N 1 0 340.471 2.934 10 10 EFCERO CCOC(=O)c1c[nH]nc1[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000931011130 1297304828 /nfs/dbraw/zinc/30/48/28/1297304828.db2.gz VAZGCXSFWCDJSY-OAHLLOKOSA-N 1 0 342.443 2.642 10 10 EFCERO COc1ccc(N(C)Cc2cnnn2[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000903903867 1313384834 /nfs/dbraw/zinc/38/48/34/1313384834.db2.gz XRXKPMPUNRLYET-CYBMUJFWSA-N 1 0 335.839 2.501 10 10 EFCERO COc1cc(Cl)cc(CN2CCc3sc(C[NH3+])nc3C2)c1O ZINC000903942936 1313458676 /nfs/dbraw/zinc/45/86/76/1313458676.db2.gz YIFHGAIWTFZJQI-UHFFFAOYSA-N 1 0 339.848 2.528 10 10 EFCERO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CC[C@H](C)OC)C2)cc1C ZINC001489984493 1298485476 /nfs/dbraw/zinc/48/54/76/1298485476.db2.gz QUTPQIRQOWTEFU-DOTOQJQBSA-N 1 0 334.460 2.509 10 10 EFCERO c1cc(N2CCCCC2)ccc1CN[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974826 1313521721 /nfs/dbraw/zinc/52/17/21/1313521721.db2.gz TUPFDFSZUXUPIX-IBGZPJMESA-N 1 0 343.515 2.925 10 10 EFCERO c1cc(N2CCCCC2)ccc1CN[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974827 1313521857 /nfs/dbraw/zinc/52/18/57/1313521857.db2.gz TUPFDFSZUXUPIX-LJQANCHMSA-N 1 0 343.515 2.925 10 10 EFCERO COc1cc(Cl)cc(CN2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)c1O ZINC000903983757 1313536351 /nfs/dbraw/zinc/53/63/51/1313536351.db2.gz LJLMDBIMEYMEJQ-MNOVXSKESA-N 1 0 338.757 2.766 10 10 EFCERO C[C@H](CN(C)C(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CCC1CC1 ZINC001278026402 1313550330 /nfs/dbraw/zinc/55/03/30/1313550330.db2.gz XCMCVGHYLVLZTG-GFCCVEGCSA-N 1 0 331.420 2.699 10 10 EFCERO CN(C)c1ccc(CNC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cc1F ZINC000852411500 1299694276 /nfs/dbraw/zinc/69/42/76/1299694276.db2.gz GNPWVIRPJDITBN-CQSZACIVSA-N 1 0 336.455 2.564 10 10 EFCERO COC1CCN(c2ccc(C[N@H+]3C[C@@H](C)[C@H](O)[C@@H](C)C3)cc2)CC1 ZINC000852500585 1299728435 /nfs/dbraw/zinc/72/84/35/1299728435.db2.gz OQJHMPNPFIEDJJ-IGOJGBNBSA-N 1 0 332.488 2.751 10 10 EFCERO c1csc(CN(C[C@H]2C[NH2+]CCO2)c2ccc3c(c2)OCCO3)c1 ZINC000852743029 1299853777 /nfs/dbraw/zinc/85/37/77/1299853777.db2.gz RDTWZYVGYFDPRO-OAHLLOKOSA-N 1 0 346.452 2.514 10 10 EFCERO CCCCCc1cc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)[nH]n1 ZINC000852792290 1299890050 /nfs/dbraw/zinc/89/00/50/1299890050.db2.gz UXMKVSYNFILYGG-QGZVFWFLSA-N 1 0 343.475 2.638 10 10 EFCERO C[C@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@@H](CC(F)(F)F)O1 ZINC000853612577 1300193016 /nfs/dbraw/zinc/19/30/16/1300193016.db2.gz AXGLIBLGQPLOKB-GXSJLCMTSA-N 1 0 333.306 2.663 10 10 EFCERO CCN(C(=O)NCCCSc1nccs1)[C@H]1CC[N@H+](CC)C1 ZINC000853855873 1300310982 /nfs/dbraw/zinc/31/09/82/1300310982.db2.gz JDBCBQNYLLSOPK-ZDUSSCGKSA-N 1 0 342.534 2.751 10 10 EFCERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)NCCCSc1nccs1 ZINC000853856474 1300311700 /nfs/dbraw/zinc/31/17/00/1300311700.db2.gz ZTXYPWOTFHXDBK-GFCCVEGCSA-N 1 0 342.534 2.797 10 10 EFCERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)NCCCSc1nccs1 ZINC000853856475 1300311898 /nfs/dbraw/zinc/31/18/98/1300311898.db2.gz ZTXYPWOTFHXDBK-LBPRGKRZSA-N 1 0 342.534 2.797 10 10 EFCERO CCN(C(=O)N[C@H](C)c1ccc(N(C)C)cc1)[C@H]1CC[N@H+](CC)C1 ZINC000854004286 1300384482 /nfs/dbraw/zinc/38/44/82/1300384482.db2.gz PWARCQUBBJHJFJ-QAPCUYQASA-N 1 0 332.492 2.939 10 10 EFCERO COc1ccc(N2CC[C@H](NC(=O)[C@H](C)[NH+]3CCCCCC3)C2)cc1 ZINC000855229640 1300850346 /nfs/dbraw/zinc/85/03/46/1300850346.db2.gz BMQFORKZPFNVQD-IRXDYDNUSA-N 1 0 345.487 2.655 10 10 EFCERO C[C@@H]1CC[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2[O-])C[NH2+]1 ZINC000861690359 1302190214 /nfs/dbraw/zinc/19/02/14/1302190214.db2.gz NTLHAKARVBUZLC-LDYMZIIASA-N 1 0 332.231 2.639 10 10 EFCERO CN(C)c1ccc(/C=C\C[NH2+][C@](C)(CO)c2cccc(O)c2)cc1 ZINC000862432880 1302383171 /nfs/dbraw/zinc/38/31/71/1302383171.db2.gz QFIURTULNZQMPR-KKHYBRAUSA-N 1 0 326.440 2.969 10 10 EFCERO Cc1ccc(O)c(CNC(=O)c2ccccc2OCC[NH+](C)C)c1 ZINC000862758888 1302451273 /nfs/dbraw/zinc/45/12/73/1302451273.db2.gz PHKMSGXTAVNOSU-UHFFFAOYSA-N 1 0 328.412 2.571 10 10 EFCERO O=C1OC[C@H]2C[N@@H+](Cc3c4c(ccc3O)oc3c4CCCC3)C[C@@H]12 ZINC000863337866 1302592742 /nfs/dbraw/zinc/59/27/42/1302592742.db2.gz KQOAAFNVKVLVMH-DGCLKSJQSA-N 1 0 327.380 2.622 10 10 EFCERO Cc1cc(Br)cc(CN2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1O ZINC000863649543 1302669806 /nfs/dbraw/zinc/66/98/06/1302669806.db2.gz ADFAPGIOZMBKDO-IYBDPMFKSA-N 1 0 339.277 2.895 10 10 EFCERO COc1ccc(N2CC[C@@H]([NH2+]Cc3cncc(OC)c3C)C2)cc1 ZINC000865622439 1303336807 /nfs/dbraw/zinc/33/68/07/1303336807.db2.gz WKLQURUYPHBZBH-MRXNPFEDSA-N 1 0 327.428 2.776 10 10 EFCERO Fc1cc(C[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)ccc1N1CCOCC1 ZINC000865761653 1303389841 /nfs/dbraw/zinc/38/98/41/1303389841.db2.gz HKKXJQGWPWDTLM-PXNSSMCTSA-N 1 0 348.462 2.957 10 10 EFCERO COc1ccc(N2CC[C@H]([NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCC4)C2)cc1 ZINC000866384350 1303619708 /nfs/dbraw/zinc/61/97/08/1303619708.db2.gz AELIZRLBOXVMEP-QZHFEQFPSA-N 1 0 328.456 2.821 10 10 EFCERO C[C@@H]([NH2+]CC[C@@H](O)C(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000866442200 1303641911 /nfs/dbraw/zinc/64/19/11/1303641911.db2.gz GTQNMPMCDICEAF-IAQYHMDHSA-N 1 0 348.821 2.843 10 10 EFCERO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccnn1C ZINC000866614311 1303712131 /nfs/dbraw/zinc/71/21/31/1303712131.db2.gz YGFWQDJHGGDTID-ZIAGYGMSSA-N 1 0 332.423 2.808 10 10 EFCERO CCN(C)c1ccc([C@@H](C)NCc2nc3c(c(=O)[nH]2)COCC3)cc1 ZINC000866629086 1303719616 /nfs/dbraw/zinc/71/96/16/1303719616.db2.gz VWTIMSHBTNVKLE-CYBMUJFWSA-N 1 0 342.443 2.562 10 10 EFCERO CC[C@H]([NH2+]Cc1nc2c(c(=O)[nH]1)COCC2)c1cc(Cl)ccc1O ZINC000866629940 1303720925 /nfs/dbraw/zinc/72/09/25/1303720925.db2.gz UDWFGXXYMALDKS-ZDUSSCGKSA-N 1 0 349.818 2.855 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+]Cc2ccnn2C)c1O ZINC000848518638 1334770391 /nfs/dbraw/zinc/77/03/91/1334770391.db2.gz LZEVSOYBJQGUOW-VIFPVBQESA-N 1 0 340.221 2.748 10 10 EFCERO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2nc(C(C)(C)C)cs2)cc1 ZINC000870933861 1305695300 /nfs/dbraw/zinc/69/53/00/1305695300.db2.gz ZECYTPVWOQNNDN-AWEZNQCLSA-N 1 0 346.500 2.936 10 10 EFCERO C[C@H](NC(=O)c1csc(C2CC[NH2+]CC2)n1)c1ccccc1O ZINC000870988717 1305728703 /nfs/dbraw/zinc/72/87/03/1305728703.db2.gz XRHXFAPFDYNWOW-NSHDSACASA-N 1 0 331.441 2.807 10 10 EFCERO COc1ccc(N2CCN(CC[NH2+][C@@H]3CCC34CCC4)CC2)cc1 ZINC000800474122 1307919742 /nfs/dbraw/zinc/91/97/42/1307919742.db2.gz GIGCJKBYUDOSJB-LJQANCHMSA-N 1 0 329.488 2.740 10 10 EFCERO CN1CCCc2cc(CNC(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)ccc21 ZINC000900434170 1308160362 /nfs/dbraw/zinc/16/03/62/1308160362.db2.gz XEJNNZQQITVEFI-HKUYNNGSSA-N 1 0 327.472 2.702 10 10 EFCERO O=S1(=O)CCN(c2ccc(C[NH2+][C@@H]3CC[C@H]3C3CCC3)cc2)CC1 ZINC000800970518 1308764158 /nfs/dbraw/zinc/76/41/58/1308764158.db2.gz BIDFOZSRGQUZLK-RBUKOAKNSA-N 1 0 348.512 2.590 10 10 EFCERO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001162113411 1312050394 /nfs/dbraw/zinc/05/03/94/1312050394.db2.gz GHMDLVUJQCJZSH-RDJZCZTQSA-N 1 0 335.467 2.542 10 10 EFCERO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001162113409 1312050560 /nfs/dbraw/zinc/05/05/60/1312050560.db2.gz GHMDLVUJQCJZSH-DOTOQJQBSA-N 1 0 335.467 2.542 10 10 EFCERO CCCn1cc([C@H](C)[NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)nn1 ZINC000903026990 1312291934 /nfs/dbraw/zinc/29/19/34/1312291934.db2.gz YCROHFAZMLFXLX-JKSUJKDBSA-N 1 0 343.475 2.874 10 10 EFCERO C[C@@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)c1ccc(Br)cc1O ZINC000903216271 1312470534 /nfs/dbraw/zinc/47/05/34/1312470534.db2.gz XVGLKAWBRMWCNF-GHMZBOCLSA-N 1 0 341.249 2.674 10 10 EFCERO Cc1cc(Br)cc([C@@H](C)[NH2+]C2CC(CC(N)=O)C2)c1O ZINC000903258931 1312514089 /nfs/dbraw/zinc/51/40/89/1312514089.db2.gz DOSOUJFBKVETQQ-GRZMOONWSA-N 1 0 341.249 2.768 10 10 EFCERO COc1ccc(N2CC[NH+](Cc3cccc(OC)c3O)CC2)cc1 ZINC000179943055 1314721628 /nfs/dbraw/zinc/72/16/28/1314721628.db2.gz CBMVXGHKAMYDGW-UHFFFAOYSA-N 1 0 328.412 2.732 10 10 EFCERO CN(C)c1ccc([C@H](CNC(=O)N2C[C@@H]3[C@H](C2)C3(C)C)[NH+](C)C)cc1 ZINC001251501040 1315351963 /nfs/dbraw/zinc/35/19/63/1315351963.db2.gz MSDWJRHGKZPVNL-KSZLIROESA-N 1 0 344.503 2.653 10 10 EFCERO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)N(C)C)C2)cc1 ZINC000827544521 1315998019 /nfs/dbraw/zinc/99/80/19/1315998019.db2.gz DDIVHKZEKZMWCB-SFHVURJKSA-N 1 0 332.492 2.721 10 10 EFCERO CC[C@H](CNC(=O)c1conc1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001318566293 1328641053 /nfs/dbraw/zinc/64/10/53/1328641053.db2.gz BJBSDBALFGRISC-OAHLLOKOSA-N 1 0 331.416 2.598 10 10 EFCERO CC(C)CC[N@H+](C)CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001265075300 1316712503 /nfs/dbraw/zinc/71/25/03/1316712503.db2.gz ZFTVODKTBQEQAS-UHFFFAOYSA-N 1 0 333.436 2.947 10 10 EFCERO CCO[C@@H](CC)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001265468788 1316810151 /nfs/dbraw/zinc/81/01/51/1316810151.db2.gz NQSVSMKXTNTMBF-ULQDDVLXSA-N 1 0 334.460 2.556 10 10 EFCERO CCC[NH2+]C[C@@H]1CCCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001265693439 1316856388 /nfs/dbraw/zinc/85/63/88/1316856388.db2.gz JMXMZELCRHDEBH-HNNXBMFYSA-N 1 0 331.420 2.843 10 10 EFCERO CCc1ccnc(C(=O)NC[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)c1 ZINC001265777221 1316875738 /nfs/dbraw/zinc/87/57/38/1316875738.db2.gz IHZIKXOSDQVWCC-HNNXBMFYSA-N 1 0 341.455 2.869 10 10 EFCERO C[C@H](F)CC[NH2+]C[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001266039812 1316968719 /nfs/dbraw/zinc/96/87/19/1316968719.db2.gz BFFJRCSVRPKKGC-QWHCGFSZSA-N 1 0 349.410 2.649 10 10 EFCERO CCOCCC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001266052147 1316978002 /nfs/dbraw/zinc/97/80/02/1316978002.db2.gz PUUUIBXUULAOPO-QZTJIDSGSA-N 1 0 348.487 2.947 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@H]2CCCCO2)cc1C ZINC001266136606 1317086909 /nfs/dbraw/zinc/08/69/09/1317086909.db2.gz FRFWZONXBZPXGC-MAUKXSAKSA-N 1 0 334.460 2.557 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)Cc2cnc(C)o2)cc1C ZINC001266149355 1317100591 /nfs/dbraw/zinc/10/05/91/1317100591.db2.gz UWSAGSCENTUZNL-CQSZACIVSA-N 1 0 345.443 2.527 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@]2(C)CCCOC2)cc1C ZINC001266181202 1317127769 /nfs/dbraw/zinc/12/77/69/1317127769.db2.gz XKTJHDNIOKUVTI-OXQOHEQNSA-N 1 0 348.487 2.805 10 10 EFCERO CCn1cnc(C(=O)NCC[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)c1 ZINC001266182653 1317128607 /nfs/dbraw/zinc/12/86/07/1317128607.db2.gz MXGMFKBLXYSKAU-OAHLLOKOSA-N 1 0 344.459 2.518 10 10 EFCERO COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@H](OC)C(C)C)C2)cc1C ZINC001279288023 1317225182 /nfs/dbraw/zinc/22/51/82/1317225182.db2.gz HFKQWAKUWTVMAI-FAFZWHIHSA-N 1 0 348.487 2.754 10 10 EFCERO COc1ccc(C[NH2+]CC[C@H]2CCCN(C(=O)C(F)F)C2)cc1C ZINC001318763267 1328693316 /nfs/dbraw/zinc/69/33/16/1328693316.db2.gz ZTTUYKVGGLXJBA-CQSZACIVSA-N 1 0 340.414 2.987 10 10 EFCERO CCO[C@@H](C)C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001318944079 1328747443 /nfs/dbraw/zinc/74/74/43/1328747443.db2.gz XNDIPAVFFGBHAL-SZMVWBNQSA-N 1 0 348.487 2.946 10 10 EFCERO COc1ccc(C[NH2+]C2(C)CCN(C(=O)C[C@@H](C)OC)CC2)cc1C ZINC001281484333 1318353533 /nfs/dbraw/zinc/35/35/33/1318353533.db2.gz CXRKWCIDUORXDL-MRXNPFEDSA-N 1 0 348.487 2.899 10 10 EFCERO CCO[C@H](CC)C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001319056344 1328771801 /nfs/dbraw/zinc/77/18/01/1328771801.db2.gz WGLMTBCLPRKKOX-QZTJIDSGSA-N 1 0 348.487 2.899 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CC2(OC)CCC2)cc1C ZINC001282120996 1318739082 /nfs/dbraw/zinc/73/90/82/1318739082.db2.gz ADYHSCQYZBKDHE-HOTGVXAUSA-N 1 0 348.487 2.946 10 10 EFCERO C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@H](C)[NH2+]CCC1CC1 ZINC001282241186 1318801047 /nfs/dbraw/zinc/80/10/47/1318801047.db2.gz IOLGPADCGUFDEO-NWDGAFQWSA-N 1 0 331.420 2.746 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2ncccc2C)cc1C ZINC001319172258 1328796018 /nfs/dbraw/zinc/79/60/18/1328796018.db2.gz IAVJSQYZGDLSCU-CQSZACIVSA-N 1 0 341.455 2.863 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)Cc2ccoc2)cc1C ZINC001319177562 1328796982 /nfs/dbraw/zinc/79/69/82/1328796982.db2.gz BBQTUNNMGIFGSS-AWEZNQCLSA-N 1 0 330.428 2.681 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C2CC2)N(C)C(=O)C(C)(F)F)cc1C ZINC001283480637 1319743041 /nfs/dbraw/zinc/74/30/41/1319743041.db2.gz NTQBZZZPQDUUOD-OAHLLOKOSA-N 1 0 340.414 2.985 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2ccccn2)cc1C ZINC001283557046 1319822314 /nfs/dbraw/zinc/82/23/14/1319822314.db2.gz YUWUMOOETFFSNG-HNNXBMFYSA-N 1 0 327.428 2.649 10 10 EFCERO COC[C@H](C)C(=O)N1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C(C)(C)C1 ZINC001284275699 1320298678 /nfs/dbraw/zinc/29/86/78/1320298678.db2.gz KISSUJODAOQFNH-YJBOKZPZSA-N 1 0 348.487 2.613 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CC(F)(F)F)cc1C ZINC001319431032 1328883467 /nfs/dbraw/zinc/88/34/67/1328883467.db2.gz ROUCRPGBFPKSMP-LBPRGKRZSA-N 1 0 332.366 2.893 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C)CSC)cc1C ZINC001319438242 1328886154 /nfs/dbraw/zinc/88/61/54/1328886154.db2.gz YTOOMZCSTKTBIY-GJZGRUSLSA-N 1 0 338.517 2.939 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)c2conc2C)cc1C ZINC001319524911 1328908132 /nfs/dbraw/zinc/90/81/32/1328908132.db2.gz JAUVEGFMCBPGNF-ZDUSSCGKSA-N 1 0 331.416 2.550 10 10 EFCERO COCCCC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H](C)C1 ZINC001319673707 1328947055 /nfs/dbraw/zinc/94/70/55/1328947055.db2.gz LZCNREKOATXTFS-WMZOPIPTSA-N 1 0 348.487 2.757 10 10 EFCERO O=C(Cc1ccc(O)c(O)c1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC001290116531 1321879025 /nfs/dbraw/zinc/87/90/25/1321879025.db2.gz WKBNNSPRWJCSNF-QGZVFWFLSA-N 1 0 340.423 2.594 10 10 EFCERO CC(C)C[NH+]1CCC(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)CC1 ZINC001296246434 1322872937 /nfs/dbraw/zinc/87/29/37/1322872937.db2.gz MJZZZDYAVAIKKJ-CQSZACIVSA-N 1 0 334.460 2.513 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)Cc2ccc(C)nc2)cc1C ZINC001491673840 1323822325 /nfs/dbraw/zinc/82/23/25/1323822325.db2.gz KTTGRKXLNIXURE-INIZCTEOSA-N 1 0 341.455 2.544 10 10 EFCERO COC(=O)/C=C\c1ccc(N2CCC[C@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000749391266 1324657659 /nfs/dbraw/zinc/65/76/59/1324657659.db2.gz CGNYZNDMYKEBEU-SOIVGHGOSA-N 1 0 347.415 2.559 10 10 EFCERO CCCC[N@@H+](Cc1ccccc1O)C[C@H](O)CN(C)CC(F)(F)F ZINC001307722158 1324778775 /nfs/dbraw/zinc/77/87/75/1324778775.db2.gz QCBMAYXVPSNCFF-OAHLLOKOSA-N 1 0 348.409 2.849 10 10 EFCERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](C)c2ccccc2O)c1 ZINC001308010278 1324789001 /nfs/dbraw/zinc/78/90/01/1324789001.db2.gz KKXNZOHFOBZAFX-LLVKDONJSA-N 1 0 330.340 2.938 10 10 EFCERO C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccccc1O ZINC001308010641 1324789187 /nfs/dbraw/zinc/78/91/87/1324789187.db2.gz VDJYWPQTZQRGBI-GFCCVEGCSA-N 1 0 329.356 2.614 10 10 EFCERO COCCC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001316871526 1325240228 /nfs/dbraw/zinc/24/02/28/1325240228.db2.gz WKLSZKBBXCCSRW-SJLPKXTDSA-N 1 0 348.487 2.899 10 10 EFCERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2cncs2)C2CC2)cc1C ZINC001317013429 1325482993 /nfs/dbraw/zinc/48/29/93/1325482993.db2.gz VOVJTPONCMSRFN-HNNXBMFYSA-N 1 0 345.468 2.758 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CC[C@@H]3CCCO3)C2)cc1C ZINC001317103199 1325570900 /nfs/dbraw/zinc/57/09/00/1325570900.db2.gz WVNOFODMNSQRRQ-KSZLIROESA-N 1 0 346.471 2.700 10 10 EFCERO O=[N+]([O-])c1cc(C[N@H+]2C[C@H](O)C3(CC3)C2)ccc1N1CCCCC1 ZINC001320775041 1329300983 /nfs/dbraw/zinc/30/09/83/1329300983.db2.gz KXZDJDWTJRESPE-KRWDZBQOSA-N 1 0 331.416 2.542 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2nc(C)c(C)s2)cc1C ZINC001317286632 1327821799 /nfs/dbraw/zinc/82/17/99/1327821799.db2.gz NWDUODFJRDFPQI-LBPRGKRZSA-N 1 0 347.484 2.985 10 10 EFCERO CCO[C@@H](CC)C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001317297210 1327829392 /nfs/dbraw/zinc/82/93/92/1327829392.db2.gz SUDIIGQMORTFLD-IRXDYDNUSA-N 1 0 334.460 2.509 10 10 EFCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)c2c[nH]cc2C)cc1C ZINC001321393509 1329381796 /nfs/dbraw/zinc/38/17/96/1329381796.db2.gz SMCIFXIUCXKIRN-PLNGDYQASA-N 1 0 327.428 2.716 10 10 EFCERO CC(C)=CC[NH2+][C@@H](C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001317418432 1327971392 /nfs/dbraw/zinc/97/13/92/1327971392.db2.gz WLZPYVXDIRPXOU-ZDUSSCGKSA-N 1 0 331.420 2.913 10 10 EFCERO CCCc1n[nH]cc1C(=O)N[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001321567158 1329395885 /nfs/dbraw/zinc/39/58/85/1329395885.db2.gz BGPCDMBBEUMPHT-CQSZACIVSA-N 1 0 344.459 2.587 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)cc1C ZINC001317606719 1328186665 /nfs/dbraw/zinc/18/66/65/1328186665.db2.gz UAVPXJMGMMFLNW-SQNIBIBYSA-N 1 0 330.472 2.988 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2coc(C3CC3)n2)cc1C ZINC001321674278 1329402433 /nfs/dbraw/zinc/40/24/33/1329402433.db2.gz OOZXCDLEBAMFQG-CYBMUJFWSA-N 1 0 343.427 2.777 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2cc(Cl)no2)cc1C ZINC001321720498 1329404861 /nfs/dbraw/zinc/40/48/61/1329404861.db2.gz QMBIIHUDRWWYSV-LLVKDONJSA-N 1 0 337.807 2.553 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)C3CC(F)(F)C3)CC2)cc1C ZINC001323422777 1329542539 /nfs/dbraw/zinc/54/25/39/1329542539.db2.gz MXTFSKKZPNFVGE-UHFFFAOYSA-N 1 0 338.398 2.787 10 10 EFCERO COc1ccc(C[NH2+]C[C@]2(C)CCN(C(=O)c3cocn3)C2)cc1C ZINC001324700408 1329652429 /nfs/dbraw/zinc/65/24/29/1329652429.db2.gz URIMEMYUIFFADP-IBGZPJMESA-N 1 0 343.427 2.634 10 10 EFCERO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001327580773 1330498554 /nfs/dbraw/zinc/49/85/54/1330498554.db2.gz AUKWARKATWCKCN-SXLOBPIMSA-N 1 0 332.488 2.943 10 10 EFCERO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001327580772 1330498693 /nfs/dbraw/zinc/49/86/93/1330498693.db2.gz AUKWARKATWCKCN-RLLQIKCJSA-N 1 0 332.488 2.943 10 10 EFCERO COC(=O)c1cccc(C[NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC001328246576 1330574305 /nfs/dbraw/zinc/57/43/05/1330574305.db2.gz DYBGZYBLBXHJGY-KRWDZBQOSA-N 1 0 340.423 2.850 10 10 EFCERO CCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001328373374 1330588816 /nfs/dbraw/zinc/58/88/16/1330588816.db2.gz JVESYRPLQVCAEQ-QFBILLFUSA-N 1 0 345.487 2.655 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2c(C)ccn2C)cc1C ZINC001329026202 1330659170 /nfs/dbraw/zinc/65/91/70/1330659170.db2.gz FGQMVPBLJHIMKW-HOTGVXAUSA-N 1 0 343.471 2.947 10 10 EFCERO COc1ccc(C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)o1 ZINC001329152446 1330673808 /nfs/dbraw/zinc/67/38/08/1330673808.db2.gz RKOJUKBVZGLEJP-KBPBESRZSA-N 1 0 346.427 2.902 10 10 EFCERO C[C@](CO)([NH2+]Cc1ccc(N2CCCC2)cc1)c1cccc(O)c1 ZINC001329523266 1330714906 /nfs/dbraw/zinc/71/49/06/1330714906.db2.gz WPWQYSNGMKGNLO-HXUWFJFHSA-N 1 0 326.440 2.990 10 10 EFCERO COc1ccc(N2CC[C@H]([NH2+]Cc3ccc([S@](C)=O)cc3)C2)cc1 ZINC001329547838 1330717517 /nfs/dbraw/zinc/71/75/17/1330717517.db2.gz HBIHTTVAMDJNTN-FYSMJZIKSA-N 1 0 344.480 2.801 10 10 EFCERO C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)c1ccns1 ZINC001329745479 1330732987 /nfs/dbraw/zinc/73/29/87/1330732987.db2.gz LVJGSXZYFXGJNB-ZDUSSCGKSA-N 1 0 334.464 2.885 10 10 EFCERO COC(=O)c1c(C[NH2+][C@@H]2CC[C@@H](OC)C2)c2cc(F)ccc2n1C ZINC001332004610 1330903361 /nfs/dbraw/zinc/90/33/61/1330903361.db2.gz MIHACTVUAVLOPF-CHWSQXEVSA-N 1 0 334.391 2.761 10 10 EFCERO COC(=O)c1c(C[NH2+]C[C@@H]2CCC[C@H](O)C2)c2cc(F)ccc2n1C ZINC001332706206 1331006098 /nfs/dbraw/zinc/00/60/98/1331006098.db2.gz VWDJOSDGQUTLFV-OCCSQVGLSA-N 1 0 348.418 2.745 10 10 EFCERO CN1CCN(c2ccc(C[NH2+]C3([C@@H]4CCCCO4)CC3)cc2F)CC1 ZINC001333519076 1331158790 /nfs/dbraw/zinc/15/87/90/1331158790.db2.gz KZWONSGCDWWECN-IBGZPJMESA-N 1 0 347.478 2.769 10 10 EFCERO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)CCS1 ZINC001333519047 1331158825 /nfs/dbraw/zinc/15/88/25/1331158825.db2.gz JRNXWGNBOJDXBE-ZBFHGGJFSA-N 1 0 337.508 2.951 10 10 EFCERO O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001333736059 1331205611 /nfs/dbraw/zinc/20/56/11/1331205611.db2.gz PXJNNDMHCNOPIC-GFCCVEGCSA-N 1 0 332.425 2.623 10 10 EFCERO Cc1nccc(N2CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)n1 ZINC001337871081 1331607423 /nfs/dbraw/zinc/60/74/23/1331607423.db2.gz GVONMMVHMRWSID-UHFFFAOYSA-N 1 0 337.471 2.707 10 10 EFCERO CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CC[C@@H]2C[C@@H](C)C[N@@H+]2C1 ZINC001349835985 1333003550 /nfs/dbraw/zinc/00/35/50/1333003550.db2.gz SARNVRHXIVNNTR-RBSFLKMASA-N 1 0 337.460 2.615 10 10 EFCERO COC(=O)c1c(C[N@H+](C)CCCCCO)c2cc(F)ccc2n1C ZINC001350320219 1333063840 /nfs/dbraw/zinc/06/38/40/1333063840.db2.gz XHFOOVMBMKPRIP-UHFFFAOYSA-N 1 0 336.407 2.698 10 10 EFCERO Cc1cc(O)c(C[N@@H+]2C[C@@H](O)CC3(CCOCC3)C2)c(Cl)c1 ZINC001350337783 1333066331 /nfs/dbraw/zinc/06/63/31/1333066331.db2.gz FMPXOFAVEZRUQJ-ZDUSSCGKSA-N 1 0 325.836 2.717 10 10 EFCERO c1cc(N2CCCC2)ccc1CN[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001350646429 1333108035 /nfs/dbraw/zinc/10/80/35/1333108035.db2.gz IJAPOUZBCKGRCU-SFHVURJKSA-N 1 0 329.488 2.535 10 10 EFCERO [NH3+]Cc1nc2c(s1)CCN(Cc1ccc(N3CCCC3)cc1)C2 ZINC001350648658 1333108527 /nfs/dbraw/zinc/10/85/27/1333108527.db2.gz ZFNKSJNBYMHHCC-UHFFFAOYSA-N 1 0 328.485 2.760 10 10 EFCERO Cc1cc(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)c(C)n1-c1ccccn1 ZINC001351024027 1333168757 /nfs/dbraw/zinc/16/87/57/1333168757.db2.gz APVYVRGUXKMSKM-BPQIPLTHSA-N 1 0 338.455 2.559 10 10 EFCERO CCCCCC[N@H+](C)CC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001300633411 1334344642 /nfs/dbraw/zinc/34/46/42/1334344642.db2.gz IPNPKPVYZQOZCY-KRWDZBQOSA-N 1 0 347.503 2.902 10 10 EFCERO COc1ccc(N2CCN(CC[NH2+][C@H]3CC[C@@H](C)SC3)CC2)cc1 ZINC000848525590 1334775072 /nfs/dbraw/zinc/77/50/72/1334775072.db2.gz OBPOJKVKILDEFT-SJORKVTESA-N 1 0 349.544 2.691 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCOC2)c1O ZINC000848526536 1334775522 /nfs/dbraw/zinc/77/55/22/1334775522.db2.gz ATKYHNDVHMHOJT-UWVGGRQHSA-N 1 0 330.222 2.850 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCCOC2)c1O ZINC000848528440 1334775928 /nfs/dbraw/zinc/77/59/28/1334775928.db2.gz MCIWJAOJNSFHFN-KOLCDFICSA-N 1 0 330.222 2.993 10 10 EFCERO CC[C@H](O)CC[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000848532918 1334779788 /nfs/dbraw/zinc/77/97/88/1334779788.db2.gz MNJXVNPMTMTNHF-KOLCDFICSA-N 1 0 332.238 2.975 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+]CC2(CO)CCC2)c1O ZINC000848543249 1334786095 /nfs/dbraw/zinc/78/60/95/1334786095.db2.gz CDKUSJYNMIDHKE-SNVBAGLBSA-N 1 0 344.249 2.977 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)C[C@@H](C)O)c1O ZINC000848544786 1334786804 /nfs/dbraw/zinc/78/68/04/1334786804.db2.gz OLSRIKRVCGFROY-AEJSXWLSSA-N 1 0 332.238 2.973 10 10 EFCERO Cc1cc(Br)c([O-])c(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000848562302 1334795801 /nfs/dbraw/zinc/79/58/01/1334795801.db2.gz HKTFQIGHSALPPP-BJHJDKERSA-N 1 0 327.266 2.893 10 10 EFCERO C[C@@H](C[NH2+]C/C=C\c1ccc(N(C)C)cc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848561600 1334795805 /nfs/dbraw/zinc/79/58/05/1334795805.db2.gz AFHCZGAEKKZBRO-JSJJMZESSA-N 1 0 331.504 2.853 10 10 EFCERO COCC1(C[NH2+]Cc2cc(Br)cc(OC)c2O)CC1 ZINC000848565117 1334796518 /nfs/dbraw/zinc/79/65/18/1334796518.db2.gz LZUNHQOZVNITDT-UHFFFAOYSA-N 1 0 330.222 2.680 10 10 EFCERO Cc1cc(O)c(C[NH2+]C[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)c(Cl)c1 ZINC000848563822 1334796640 /nfs/dbraw/zinc/79/66/40/1334796640.db2.gz ZNPKOJJNUQWJNA-MELADBBJSA-N 1 0 326.868 2.941 10 10 EFCERO C[C@@H]([NH2+]C[C@H]1CN(C2CC2)C(=O)O1)c1cc2c(cc1O)CCCC2 ZINC000848573439 1334801321 /nfs/dbraw/zinc/80/13/21/1334801321.db2.gz ZUTMMBGOFWLCJI-WBMJQRKESA-N 1 0 330.428 2.905 10 10 EFCERO [NH3+]C[C@H](NCc1ccc(OCc2ccccc2)cc1O)C(F)(F)F ZINC000848714384 1334856579 /nfs/dbraw/zinc/85/65/79/1334856579.db2.gz OJTWPRINVQIYBW-INIZCTEOSA-N 1 0 340.345 2.950 10 10 EFCERO Cn1cnnc1N1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000848924797 1334989969 /nfs/dbraw/zinc/98/99/69/1334989969.db2.gz BASSCPVGSUSDKW-UHFFFAOYSA-N 1 0 349.438 2.510 10 10 EFCERO CCCN(CCC)c1ccc(CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000848925884 1334991683 /nfs/dbraw/zinc/99/16/83/1334991683.db2.gz HVJXQGIFKMKVDZ-VQTJNVASSA-N 1 0 331.504 2.564 10 10 EFCERO COc1ccc([C@@H]2CCNC[C@@H]2[NH2+]Cc2cc(OC)ccc2O)cc1 ZINC000849350092 1335596641 /nfs/dbraw/zinc/59/66/41/1335596641.db2.gz PFOQEKHNOGSPGF-OALUTQOASA-N 1 0 342.439 2.645 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)CC[C@H]2CCOC2)cc1C ZINC001507060147 1406649898 /nfs/dbraw/zinc/64/98/98/1406649898.db2.gz IXRYHCDUBSHGMF-IRXDYDNUSA-N 1 0 348.487 2.757 10 10 EFCERO CCOc1cc(NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)nc(C)n1 ZINC001458683917 1395548740 /nfs/dbraw/zinc/54/87/40/1395548740.db2.gz SBPWILHMGBDAKW-QGZVFWFLSA-N 1 0 343.475 2.965 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C[C@@H]2CCCOC2)cc1C ZINC001507161868 1406791947 /nfs/dbraw/zinc/79/19/47/1406791947.db2.gz HGIIUGXCXAPIBJ-AEFFLSMTSA-N 1 0 348.487 2.757 10 10 EFCERO COc1ccc(N2CC[NH+](C[C@H](CC(C)C)OC)CC2)c(OC)c1 ZINC001460652541 1396240042 /nfs/dbraw/zinc/24/00/42/1396240042.db2.gz SRJFRZYEYASPCO-KRWDZBQOSA-N 1 0 336.476 2.887 10 10 EFCERO COC[C@H](C[NH+]1CCN(c2ccc(OC)cc2OC)CC1)C(C)C ZINC001460651910 1396240347 /nfs/dbraw/zinc/24/03/47/1396240347.db2.gz PPYYTTKMQUIPSB-INIZCTEOSA-N 1 0 336.476 2.744 10 10 EFCERO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCC[N@@H+](C)C(C)C)c1 ZINC001464879379 1396625737 /nfs/dbraw/zinc/62/57/37/1396625737.db2.gz OOHIWWCNZJGXFL-UHFFFAOYSA-N 1 0 341.455 2.977 10 10 EFCERO Cc1cc(N(C)C)ccc1CNC(=O)C[N@H+](C)CCc1ccccc1 ZINC001465029235 1396642914 /nfs/dbraw/zinc/64/29/14/1396642914.db2.gz JCWNQVWQBANWTF-UHFFFAOYSA-N 1 0 339.483 2.852 10 10 EFCERO C[C@@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)C1CCC1 ZINC001469657876 1397046373 /nfs/dbraw/zinc/04/63/73/1397046373.db2.gz BJFGTIWNZDCJBO-RDTXWAMCSA-N 1 0 332.492 2.843 10 10 EFCERO CN(Cc1ccc(N2CCCC2)cc1)C(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC001471508796 1397179803 /nfs/dbraw/zinc/17/98/03/1397179803.db2.gz KLTQOCJKEUWJQU-IBGZPJMESA-N 1 0 344.503 2.913 10 10 EFCERO CC[C@H](CO)[NH+]1CCN(Cc2ccc(N3CCCCC3)c(C)c2)CC1 ZINC001473199514 1397289327 /nfs/dbraw/zinc/28/93/27/1397289327.db2.gz MQIZTHDKQGBQEV-HXUWFJFHSA-N 1 0 345.531 2.874 10 10 EFCERO CCCC[N@H+](Cc1ccccc1O)[C@@H](C)c1nc(-c2nc[nH]n2)no1 ZINC001473423607 1397301929 /nfs/dbraw/zinc/30/19/29/1397301929.db2.gz AQVMFHCJMUDHQA-LBPRGKRZSA-N 1 0 342.403 2.924 10 10 EFCERO CC[C@@H](C)OCC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001480613777 1398249310 /nfs/dbraw/zinc/24/93/10/1398249310.db2.gz RKKQJPKJPRRCJX-WBVHZDCISA-N 1 0 334.460 2.509 10 10 EFCERO COCCC(C)(C)C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001480622829 1398252854 /nfs/dbraw/zinc/25/28/54/1398252854.db2.gz MFIHBSVKEHHOHO-KRWDZBQOSA-N 1 0 348.487 2.757 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)CCc2cccnc2)cc1C ZINC001493619438 1398777191 /nfs/dbraw/zinc/77/71/91/1398777191.db2.gz OPUWIPPYVBYDMG-UHFFFAOYSA-N 1 0 341.455 2.579 10 10 EFCERO CC/C=C/CC[NH+]1CC(CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001494636086 1399409359 /nfs/dbraw/zinc/40/93/59/1399409359.db2.gz TYBBDERIDIXGCK-OPAYYZTASA-N 1 0 343.431 2.867 10 10 EFCERO COc1ccc(C[NH2+]C[C@](C)(NC(=O)C(F)F)C2CC2)cc1C ZINC001495219322 1399744927 /nfs/dbraw/zinc/74/49/27/1399744927.db2.gz WRARTAMWLODNFA-KRWDZBQOSA-N 1 0 326.387 2.643 10 10 EFCERO CCOCC(=O)N1CCC(CC[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001495395599 1399942083 /nfs/dbraw/zinc/94/20/83/1399942083.db2.gz RZXDCOHZAQGEFM-UHFFFAOYSA-N 1 0 348.487 2.758 10 10 EFCERO COCCCC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001495545868 1400074223 /nfs/dbraw/zinc/07/42/23/1400074223.db2.gz JXIQQHMLPAVIIQ-QGZVFWFLSA-N 1 0 334.460 2.511 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)Cc2cncs2)cc1C ZINC001495683658 1400164185 /nfs/dbraw/zinc/16/41/85/1400164185.db2.gz KUWTXMKWTUCXHR-ZDUSSCGKSA-N 1 0 347.484 2.545 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CCn2cccc2)cc1C ZINC001496195691 1400532577 /nfs/dbraw/zinc/53/25/77/1400532577.db2.gz XNDGAAKKQOXBCI-KRWDZBQOSA-N 1 0 343.471 2.832 10 10 EFCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CC[C@H](F)C2)cc1C ZINC001497661512 1401530185 /nfs/dbraw/zinc/53/01/85/1401530185.db2.gz PBYHGJKGANFDMG-DSLCMKTCSA-N 1 0 334.435 2.904 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)C2C=CC=CC=C2)cc1C ZINC001497822431 1401677801 /nfs/dbraw/zinc/67/78/01/1401677801.db2.gz DKRWMZLWIWEGIZ-MRXNPFEDSA-N 1 0 326.440 2.896 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2cc(C)[nH]c2C)cc1C ZINC001497923624 1401743991 /nfs/dbraw/zinc/74/39/91/1401743991.db2.gz ZOWFAABJIOHJTO-CQSZACIVSA-N 1 0 329.444 2.857 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2cc3occc3[nH]2)cc1C ZINC001498047258 1401829609 /nfs/dbraw/zinc/82/96/09/1401829609.db2.gz VBSYFUXNCNFQCN-ZDUSSCGKSA-N 1 0 341.411 2.986 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)c2ccco2)C2CC2)cc1C ZINC001498719292 1402249887 /nfs/dbraw/zinc/24/98/87/1402249887.db2.gz ADSPHTAIXNXQJP-MRXNPFEDSA-N 1 0 328.412 2.895 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)[C@H]2CC2(F)F)C2CC2)cc1C ZINC001498759236 1402271886 /nfs/dbraw/zinc/27/18/86/1402271886.db2.gz MITSYOJVATTXCK-HUUCEWRRSA-N 1 0 338.398 2.643 10 10 EFCERO CCCC[NH2+]C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001498876784 1402352811 /nfs/dbraw/zinc/35/28/11/1402352811.db2.gz RUGJQCRLVVCNIB-HNNXBMFYSA-N 1 0 331.420 2.747 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)CC(C)(F)F)CC2)cc1C ZINC001499338327 1402571770 /nfs/dbraw/zinc/57/17/70/1402571770.db2.gz CXLQZAALDUJKFG-UHFFFAOYSA-N 1 0 326.387 2.787 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)N2CC[C@@H](CC[NH2+]CC3CC3)C2)cc1 ZINC001501655239 1403672395 /nfs/dbraw/zinc/67/23/95/1403672395.db2.gz OOGGTLVLNHGLFF-CQSZACIVSA-N 1 0 343.431 2.701 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC001557290283 1415117947 /nfs/dbraw/zinc/11/79/47/1415117947.db2.gz YKKIXYWBZVWDFN-CABCVRRESA-N 1 0 329.404 2.596 10 10 EFCERO Cc1cc(C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)c(C)n1-c1ccccn1 ZINC001557983714 1415154061 /nfs/dbraw/zinc/15/40/61/1415154061.db2.gz WMMBYLSHKJBLCU-GOSISDBHSA-N 1 0 340.471 2.901 10 10 EFCERO COC(=O)c1coc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC001559709542 1415253822 /nfs/dbraw/zinc/25/38/22/1415253822.db2.gz JPYDICPDTIIXFA-CQSZACIVSA-N 1 0 344.411 2.754 10 10 EFCERO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@H]1C(F)(F)F ZINC001560120204 1415264247 /nfs/dbraw/zinc/26/42/47/1415264247.db2.gz MMHWJWQFHAHBAM-HUUCEWRRSA-N 1 0 344.377 2.926 10 10 EFCERO CC(C)C[C@@H]1CN(C)CC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001560170739 1415265689 /nfs/dbraw/zinc/26/56/89/1415265689.db2.gz KXAYLRYIHBZMCI-HXUWFJFHSA-N 1 0 331.504 2.685 10 10 EFCERO CN(C)c1ccc([C@@H](CNC(=O)NC23CCC(CC2)C3)[NH+](C)C)cc1 ZINC001565452930 1415396019 /nfs/dbraw/zinc/39/60/19/1415396019.db2.gz OFYJNJXDBXQNJV-RVSXGSNBSA-N 1 0 344.503 2.987 10 10 EFCERO COc1ccc(C[NH2+][C@H](CNC(=O)COC(C)(C)C)C2CC2)cc1C ZINC001566707409 1415742116 /nfs/dbraw/zinc/74/21/16/1415742116.db2.gz GUTHFQYBLIZOGL-QGZVFWFLSA-N 1 0 348.487 2.803 10 10 EFCERO COc1ccc(C[NH2+][C@@H](CNC(=O)Cc2ccco2)C2CC2)cc1C ZINC001566725659 1415747395 /nfs/dbraw/zinc/74/73/95/1415747395.db2.gz IPTNFGLCJOTDIM-SFHVURJKSA-N 1 0 342.439 2.824 10 10 EFCERO COc1ccc(C[NH2+][C@H](CNC(=O)c2oncc2C)C2CC2)cc1C ZINC001566727601 1415747453 /nfs/dbraw/zinc/74/74/53/1415747453.db2.gz FDEWYJOYSFDQJE-MRXNPFEDSA-N 1 0 343.427 2.598 10 10 EFCERO COc1ccc(C[NH2+][C@H](CNC(=O)c2nccs2)C2CC2)cc1C ZINC001566726152 1415747466 /nfs/dbraw/zinc/74/74/66/1415747466.db2.gz NYKWDLFAIRPPLH-OAHLLOKOSA-N 1 0 345.468 2.758 10 10 EFCERO C[C@H](F)CC[NH2+][C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001566731131 1415748987 /nfs/dbraw/zinc/74/89/87/1415748987.db2.gz AMHBCEZZTBXZMI-XHDPSFHLSA-N 1 0 349.410 2.695 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)COc2ccccc2)cc1C ZINC001567072926 1415924494 /nfs/dbraw/zinc/92/44/94/1415924494.db2.gz PDHDGDGILLJQJH-INIZCTEOSA-N 1 0 342.439 2.677 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)CC[C@H]2CC[C@H](C)O2)cc1C ZINC001567609619 1416208784 /nfs/dbraw/zinc/20/87/84/1416208784.db2.gz ZOUYCJUPUVGDSG-FUHWJXTLSA-N 1 0 348.487 2.899 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@]2(C)CCCOC2)cc1C ZINC001568202419 1416439757 /nfs/dbraw/zinc/43/97/57/1416439757.db2.gz UAXYFGRHMPZCIC-MGPUTAFESA-N 1 0 348.487 2.662 10 10 EFCERO CC[C@H](C)C[NH2+]C[C@@H](C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001568323022 1416476617 /nfs/dbraw/zinc/47/66/17/1416476617.db2.gz UVKJYGVTPUYMQF-QWHCGFSZSA-N 1 0 333.436 2.945 10 10 EFCERO Cc1cc(CN2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)ccc1N1CCCCC1 ZINC001646272918 1416641211 /nfs/dbraw/zinc/64/12/11/1416641211.db2.gz MRAQXTLTVLTJAJ-RTBURBONSA-N 1 0 345.531 2.872 10 10 EFCERO C[C@@H](CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C(C)(C)C ZINC001683702185 1416683029 /nfs/dbraw/zinc/68/30/29/1416683029.db2.gz YYJJXCBPFWXZMP-INIZCTEOSA-N 1 0 346.519 2.920 10 10 EFCERO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NCc1cccc(Cl)c1O ZINC001683840608 1416686080 /nfs/dbraw/zinc/68/60/80/1416686080.db2.gz IMGJZUCBOOVBBI-CYBMUJFWSA-N 1 0 339.867 2.965 10 10 EFCERO CN(C)c1ccc([C@H](CNC(=O)N[C@]23C[C@H]2CCCC3)[NH+](C)C)cc1 ZINC001684612293 1416724386 /nfs/dbraw/zinc/72/43/86/1416724386.db2.gz PXWSTYBXUSQWBY-IMFGXOCKSA-N 1 0 344.503 2.987 10 10 EFCERO CN(C)c1ccc([C@@H](CNC(=O)NC2(C)CCCC2)[NH+](C)C)cc1 ZINC001685608811 1416768809 /nfs/dbraw/zinc/76/88/09/1416768809.db2.gz HLQDFAPZXKVZEP-QGZVFWFLSA-N 1 0 332.492 2.987 10 10 EFCERO COc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H](O)C(C)C)CC2)cc1C ZINC001698707592 1417314683 /nfs/dbraw/zinc/31/46/83/1417314683.db2.gz NIZYQHYUONSMLE-ZHALLVOQSA-N 1 0 348.487 2.538 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2ccc(F)cn2)cc1C ZINC001698745011 1417326050 /nfs/dbraw/zinc/32/60/50/1417326050.db2.gz LWKUVQPBHYRHIR-ZDUSSCGKSA-N 1 0 345.418 2.693 10 10 EFCERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2n[nH]cc2C)C(C)C)cc1C ZINC001698960039 1417357549 /nfs/dbraw/zinc/35/75/49/1417357549.db2.gz FAYYZBJWZIHCKB-INIZCTEOSA-N 1 0 344.459 2.579 10 10 EFCERO COCC1(C(=O)NCC2([NH2+]Cc3ccc(OC)c(C)c3)CCC2)CC1 ZINC001700134566 1417578607 /nfs/dbraw/zinc/57/86/07/1417578607.db2.gz DJODEJNYVARQNL-UHFFFAOYSA-N 1 0 346.471 2.559 10 10 EFCERO CC[C@@H]1CCO[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001700754743 1417641787 /nfs/dbraw/zinc/64/17/87/1417641787.db2.gz ZCTPJXGXYBJKGQ-WDYCEAGBSA-N 1 0 348.487 2.755 10 10 EFCERO CC[C@@H]1CCO[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001700754742 1417641839 /nfs/dbraw/zinc/64/18/39/1417641839.db2.gz ZCTPJXGXYBJKGQ-SUMDDJOVSA-N 1 0 348.487 2.755 10 10 EFCERO COc1cccc(N2CC[NH+](Cc3ccc(OC)cc3O)CC2)c1 ZINC000155980121 1418268630 /nfs/dbraw/zinc/26/86/30/1418268630.db2.gz VZSKGYKNVIBVMD-UHFFFAOYSA-N 1 0 328.412 2.732 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H](C)CSC)C2)cc1C ZINC001713188584 1418367695 /nfs/dbraw/zinc/36/76/95/1418367695.db2.gz LBRJMXVDBIIPLH-CWRNSKLLSA-N 1 0 336.501 2.740 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2ccc(C)n2C)cc1C ZINC001713294626 1418459091 /nfs/dbraw/zinc/45/90/91/1418459091.db2.gz AEBRNCAXUBWICG-CQSZACIVSA-N 1 0 329.444 2.559 10 10 EFCERO CCc1cccnc1C(=O)NC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001713321205 1418471969 /nfs/dbraw/zinc/47/19/69/1418471969.db2.gz KKBOMUFTXUJIMJ-HNNXBMFYSA-N 1 0 341.455 2.869 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)CC2CCOCC2)cc1C ZINC001713404964 1418511177 /nfs/dbraw/zinc/51/11/77/1418511177.db2.gz IZRNEKVNAPORIU-INIZCTEOSA-N 1 0 348.487 2.805 10 10 EFCERO C[C@H](CCNC(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CC1CC(C)C1 ZINC001713423220 1418518416 /nfs/dbraw/zinc/51/84/16/1418518416.db2.gz LQEWLJVSZSMCJB-ROKHWSDSSA-N 1 0 345.447 2.993 10 10 EFCERO Cc1cc(Br)cc(CN2CC[N@@H+](C)C(C)(C)C2)c1O ZINC000160967273 1418549339 /nfs/dbraw/zinc/54/93/39/1418549339.db2.gz XBHWCPCBCNGRNV-UHFFFAOYSA-N 1 0 327.266 2.989 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)Cc2ccccc2F)cc1C ZINC001714299220 1418596057 /nfs/dbraw/zinc/59/60/57/1418596057.db2.gz IAICNPXFNLNNRN-OAHLLOKOSA-N 1 0 344.430 2.980 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)Cc2ccccc2F)cc1C ZINC001714299219 1418596092 /nfs/dbraw/zinc/59/60/92/1418596092.db2.gz IAICNPXFNLNNRN-HNNXBMFYSA-N 1 0 344.430 2.980 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2ccsn2)cc1C ZINC001715234825 1418657208 /nfs/dbraw/zinc/65/72/08/1418657208.db2.gz KUOGOYIYGWPIRS-GFCCVEGCSA-N 1 0 333.457 2.616 10 10 EFCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)C2=COCCC2)cc1C ZINC001715623955 1418680067 /nfs/dbraw/zinc/68/00/67/1418680067.db2.gz OKBJKNMDPFGDAI-OAHLLOKOSA-N 1 0 332.444 2.682 10 10 EFCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)c2ccc(C)n2C)cc1C ZINC001716267871 1418749380 /nfs/dbraw/zinc/74/93/80/1418749380.db2.gz HLTPDNNASOQEBU-WAYWQWQTSA-N 1 0 341.455 2.726 10 10 EFCERO COc1ccc(C(=O)NC/C=C\C[NH2+]Cc2ccc(OC)c(C)c2)o1 ZINC001716357762 1418798209 /nfs/dbraw/zinc/79/82/09/1418798209.db2.gz UNFMONVITLHTRV-PLNGDYQASA-N 1 0 344.411 2.681 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)Cc2cnccc2C)cc1C ZINC001716398857 1418872455 /nfs/dbraw/zinc/87/24/55/1418872455.db2.gz MLDPCZQWEZOFRG-MRXNPFEDSA-N 1 0 341.455 2.544 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](NC(=O)[C@H](F)C(C)C)C2CC2)cc1C ZINC001716619972 1418926822 /nfs/dbraw/zinc/92/68/22/1418926822.db2.gz YCLJWHAGRKAEKF-FUHWJXTLSA-N 1 0 336.451 2.982 10 10 EFCERO CC[C@H]1CN(C(=O)CCOC)CC[C@@H]1[NH2+]Cc1ccc(OC)c(C)c1 ZINC001716630845 1418930069 /nfs/dbraw/zinc/93/00/69/1418930069.db2.gz SWKZMKQNQOJNLN-ROUUACIJSA-N 1 0 348.487 2.757 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)c3cncc(C)c3)CC2)cc1C ZINC001716678510 1418956418 /nfs/dbraw/zinc/95/64/18/1418956418.db2.gz IQNVTDJREXFBLL-UHFFFAOYSA-N 1 0 339.439 2.759 10 10 EFCERO CCCOCC(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001716857847 1419060349 /nfs/dbraw/zinc/06/03/49/1419060349.db2.gz OCLGBUZKECIZSN-FQEVSTJZSA-N 1 0 348.487 2.758 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3CO[C@@H](C)C3)CCC2)cc1C ZINC001717153433 1419240389 /nfs/dbraw/zinc/24/03/89/1419240389.db2.gz QBKIHHSILMUTEQ-RDJZCZTQSA-N 1 0 346.471 2.557 10 10 EFCERO C[N@H+](CCCF)C[C@@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001717376420 1419368316 /nfs/dbraw/zinc/36/83/16/1419368316.db2.gz QLYMZFUFRYAMNQ-HNNXBMFYSA-N 1 0 349.410 2.745 10 10 EFCERO Oc1ccc(Br)cc1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000245859799 1419492911 /nfs/dbraw/zinc/49/29/11/1419492911.db2.gz FEDZGVVUXAGVPL-AWEZNQCLSA-N 1 0 325.250 2.825 10 10 EFCERO C[C@@H](CCC[NH2+]CC1CC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001717696657 1419512421 /nfs/dbraw/zinc/51/24/21/1419512421.db2.gz IFCYUBXVGGEAON-LBPRGKRZSA-N 1 0 331.420 2.747 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2[nH]c(C)nc2C)cc1C ZINC001717741675 1419532236 /nfs/dbraw/zinc/53/22/36/1419532236.db2.gz USQVUTTXJLJQQP-ZDUSSCGKSA-N 1 0 344.459 2.594 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)COC(C)C)C2)cc1C ZINC001717868000 1419593742 /nfs/dbraw/zinc/59/37/42/1419593742.db2.gz XOCNWXVRSNLQKU-QZTJIDSGSA-N 1 0 348.487 2.803 10 10 EFCERO COc1ccc(C[NH2+]CCCN(C)C(=O)/C=C/c2ccc[nH]2)cc1C ZINC001723007783 1424400190 /nfs/dbraw/zinc/40/01/90/1424400190.db2.gz FMSQRPZWKADWTG-CSKARUKUSA-N 1 0 341.455 2.983 10 10 EFCERO COc1ccc(C[NH2+]CCCN(C)C(=O)/C=C\c2ccc[nH]2)cc1C ZINC001723007788 1424400327 /nfs/dbraw/zinc/40/03/27/1424400327.db2.gz FMSQRPZWKADWTG-NTMALXAHSA-N 1 0 341.455 2.983 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)c3ccncc3C)CC2)cc1C ZINC001723514468 1424516310 /nfs/dbraw/zinc/51/63/10/1424516310.db2.gz KBRLZZCATPNJAH-UHFFFAOYSA-N 1 0 339.439 2.759 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C2(C(F)F)CC2)cc1C ZINC001725478725 1425609000 /nfs/dbraw/zinc/60/90/00/1425609000.db2.gz DURZYMAPHTWHIP-CYBMUJFWSA-N 1 0 340.414 2.985 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CCCOCC2)cc1C ZINC001725487206 1425614660 /nfs/dbraw/zinc/61/46/60/1425614660.db2.gz UVIDDOCHNYTOHJ-WMZOPIPTSA-N 1 0 348.487 2.757 10 10 EFCERO COc1cc(C[N@@H+]2CCC[C@H](Cn3nc(C)nc3C)C2)c(O)cc1C ZINC000160260086 713162083 /nfs/dbraw/zinc/16/20/83/713162083.db2.gz XQCKPHFTXCYBHH-INIZCTEOSA-N 1 0 344.459 2.830 10 10 EFCERO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCc1cc(Br)ccc1O ZINC000804739298 713456424 /nfs/dbraw/zinc/45/64/24/713456424.db2.gz VDCYJGRALZIQEA-QWRGUYRKSA-N 1 0 341.249 2.644 10 10 EFCERO CC[C@H]1C[N@H+](Cc2cc(OC)c(OC)cc2O)CCN1CC(F)F ZINC000160523783 714258783 /nfs/dbraw/zinc/25/87/83/714258783.db2.gz QVAGEKUKXRAGBB-ZDUSSCGKSA-N 1 0 344.402 2.571 10 10 EFCERO CC[C@@](C)(O)C[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000848528305 715268820 /nfs/dbraw/zinc/26/88/20/715268820.db2.gz KSQXWQROTCTKAL-YMTOWFKASA-N 1 0 332.238 2.975 10 10 EFCERO COC(=O)c1cc2ccccc2c(C[NH+]2CCC([C@H](C)O)CC2)c1O ZINC000158601781 715632013 /nfs/dbraw/zinc/63/20/13/715632013.db2.gz LTPGYOFSBPNEGY-ZDUSSCGKSA-N 1 0 343.423 2.925 10 10 EFCERO COc1cc(Cl)cc(C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)c1O ZINC000895678553 724249111 /nfs/dbraw/zinc/24/91/11/724249111.db2.gz VXCLHERAEAPIBW-VIFPVBQESA-N 1 0 349.683 2.702 10 10 EFCERO CN(C)c1ccc(CN2CC[NH+](C[C@@H](O)c3ccccc3)CC2)cc1 ZINC000179502920 717482354 /nfs/dbraw/zinc/48/23/54/717482354.db2.gz CIWRUVKRCYTBTC-OAQYLSRUSA-N 1 0 339.483 2.604 10 10 EFCERO C[N@H+](Cc1cc(Br)ccc1O)[C@@H]1CN2CCC1CC2 ZINC000311399102 718671887 /nfs/dbraw/zinc/67/18/87/718671887.db2.gz FHQVTWUFEOFSQR-CQSZACIVSA-N 1 0 325.250 2.681 10 10 EFCERO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000168978387 718823712 /nfs/dbraw/zinc/82/37/12/718823712.db2.gz FXYHLWWOLPPXAU-AQNXPRMDSA-N 1 0 342.483 2.961 10 10 EFCERO COC(=O)c1c(C[NH+]2CCC(OC)CC2)c2cc(F)ccc2n1C ZINC000893914119 720158634 /nfs/dbraw/zinc/15/86/34/720158634.db2.gz DGYMXFUXGLAVAS-UHFFFAOYSA-N 1 0 334.391 2.715 10 10 EFCERO COC(=O)c1c(C[N@H+](C)C[C@H]2CCCOC2)c2cc(F)ccc2n1C ZINC000894005116 720218528 /nfs/dbraw/zinc/21/85/28/720218528.db2.gz AXPWZAZCRJUPJH-CYBMUJFWSA-N 1 0 348.418 2.962 10 10 EFCERO COC(=O)c1c(C[N@H+](CCCCO)C2CC2)c2cc(F)ccc2n1C ZINC000894020680 720221880 /nfs/dbraw/zinc/22/18/80/720221880.db2.gz LTNQXDIQVRVHNL-UHFFFAOYSA-N 1 0 348.418 2.841 10 10 EFCERO Cc1cc(Br)c(O)c(CN2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000775984352 720734250 /nfs/dbraw/zinc/73/42/50/720734250.db2.gz FMVYFKKZCWOJCX-VXGBXAGGSA-N 1 0 327.266 2.988 10 10 EFCERO Cc1cc(O)c(CN2CCN(C(=O)c3cccnc3)CC2)c(Cl)c1 ZINC000840907765 720787718 /nfs/dbraw/zinc/78/77/18/720787718.db2.gz IXONGYUYBQAFOV-UHFFFAOYSA-N 1 0 345.830 2.707 10 10 EFCERO CC[NH+]1CCC(NCc2c3cc(F)ccc3n(C)c2C(=O)OC)CC1 ZINC000894150536 720942359 /nfs/dbraw/zinc/94/23/59/720942359.db2.gz MSDCGJNIQLIBDJ-UHFFFAOYSA-N 1 0 347.434 2.678 10 10 EFCERO Cc1noc2ncc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)cc12 ZINC000894199745 721193465 /nfs/dbraw/zinc/19/34/65/721193465.db2.gz FESHPUQXJOVCPH-UHFFFAOYSA-N 1 0 338.411 2.658 10 10 EFCERO COC(=O)c1c(CNCC[N@H+](C)C(C)C)c2cc(F)ccc2n1C ZINC000894214339 721270753 /nfs/dbraw/zinc/27/07/53/721270753.db2.gz VLPLZAVZMZRSNO-UHFFFAOYSA-N 1 0 335.423 2.534 10 10 EFCERO COC(=O)c1c(C[NH2+]CC(C)(C)CCO)c2cc(F)ccc2n1C ZINC000894298713 722000817 /nfs/dbraw/zinc/00/08/17/722000817.db2.gz LIDMSZSTDBSLKB-UHFFFAOYSA-N 1 0 336.407 2.602 10 10 EFCERO COC(=O)c1c(C[NH2+][C@H](CCO)C(C)C)c2cc(F)ccc2n1C ZINC000894301451 722009861 /nfs/dbraw/zinc/00/98/61/722009861.db2.gz ZEFPVGFYOCFQNB-OAHLLOKOSA-N 1 0 336.407 2.601 10 10 EFCERO COC(=O)c1c(C[N@@H+]2CCC[C@H]([C@@H](C)O)C2)c2cc(F)ccc2n1C ZINC000894421651 722731977 /nfs/dbraw/zinc/73/19/77/722731977.db2.gz FMFJSWGAGVTMTN-OLZOCXBDSA-N 1 0 348.418 2.697 10 10 EFCERO COC(=O)c1c(C[N@H+](C)[C@H]2CC[C@H](O)CC2)c2cc(F)ccc2n1C ZINC000894535238 722774884 /nfs/dbraw/zinc/77/48/84/722774884.db2.gz XQEDVSMKPGELRU-HDJSIYSDSA-N 1 0 348.418 2.839 10 10 EFCERO COC(=O)c1c(C[NH2+][C@H](CO)CC2CCC2)c2cc(F)ccc2n1C ZINC000894833931 722879911 /nfs/dbraw/zinc/87/99/11/722879911.db2.gz NWWIWQHHUPRSGS-AWEZNQCLSA-N 1 0 348.418 2.745 10 10 EFCERO COC(=O)c1c(C[NH2+]C[C@H](OC)C2CC2)c2cc(F)ccc2n1C ZINC000894861269 722911783 /nfs/dbraw/zinc/91/17/83/722911783.db2.gz DDGSJIALIADTAB-INIZCTEOSA-N 1 0 334.391 2.619 10 10 EFCERO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894881362 722937412 /nfs/dbraw/zinc/93/74/12/722937412.db2.gz OQGUHXHKTUEPIX-BLLLJJGKSA-N 1 0 348.418 2.697 10 10 EFCERO CN(C)c1ccc(/C=C/C[N@@H+]2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)cc1 ZINC000895005167 723046841 /nfs/dbraw/zinc/04/68/41/723046841.db2.gz MYSHJSZZPSMXOQ-IRXJPXPOSA-N 1 0 349.478 2.967 10 10 EFCERO COC(=O)c1c(C[NH2+][C@@H]2CCC[C@@H](CO)C2)c2cc(F)ccc2n1C ZINC000895015531 723050819 /nfs/dbraw/zinc/05/08/19/723050819.db2.gz XBCKTLOIHFMCLL-TZMCWYRMSA-N 1 0 348.418 2.745 10 10 EFCERO COc1ccc(N2CC[C@H](C[NH2+]Cc3c(C)ccnc3N)C2)cc1 ZINC000895052320 723087573 /nfs/dbraw/zinc/08/75/73/723087573.db2.gz XPPCHUXLWHYPET-OAHLLOKOSA-N 1 0 326.444 2.597 10 10 EFCERO COc1cccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1O ZINC000896115451 723137756 /nfs/dbraw/zinc/13/77/56/723137756.db2.gz FLKSRXAVCWRIBR-SJLPKXTDSA-N 1 0 340.423 2.710 10 10 EFCERO CCOc1ccc(O)c(C[N@@H+]2CCc3nc[nH]c3C23CCOCC3)c1 ZINC000895071857 723181992 /nfs/dbraw/zinc/18/19/92/723181992.db2.gz URIUWPRHJZFBJL-UHFFFAOYSA-N 1 0 343.427 2.578 10 10 EFCERO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1cc2cc(O)c(O)cc2s1 ZINC000896265543 723227553 /nfs/dbraw/zinc/22/75/53/723227553.db2.gz JTXUMXJGBSAXDN-LBPRGKRZSA-N 1 0 332.425 2.527 10 10 EFCERO C[C@@H]1C[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C[N@@H+]1C1CC1 ZINC000896899581 723802270 /nfs/dbraw/zinc/80/22/70/723802270.db2.gz UJFBWDAWKAELIB-MWLCHTKSSA-N 1 0 332.425 2.668 10 10 EFCERO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc4cc(O)c(O)cc4s3)CC[C@H]21 ZINC000897016870 723946306 /nfs/dbraw/zinc/94/63/06/723946306.db2.gz MFEIPKNYXIHKIJ-WCQYABFASA-N 1 0 346.452 2.869 10 10 EFCERO COC(=O)c1c(C[N@@H+]2C[C@@H](C)[C@@](C)(CO)C2)c2cc(F)ccc2n1C ZINC000895343508 724052433 /nfs/dbraw/zinc/05/24/33/724052433.db2.gz LHWWXNLXPAKBCC-CWTRNNRKSA-N 1 0 348.418 2.554 10 10 EFCERO CN(C)c1ccc(/C=C\C[NH2+]CCN2C[C@@H]3CCCCN3C2=O)cc1 ZINC000895343778 724052504 /nfs/dbraw/zinc/05/25/04/724052504.db2.gz LJURJUPXQDDZNT-VOFKWLDRSA-N 1 0 342.487 2.646 10 10 EFCERO COC(=O)c1c(C[NH2+]C[C@H]2C[C@@H](OC)C2)c2cc(F)ccc2n1C ZINC000895415750 724124128 /nfs/dbraw/zinc/12/41/28/724124128.db2.gz YBUGFQKKBBHSNY-BJHJDKERSA-N 1 0 334.391 2.619 10 10 EFCERO COC(=O)c1c(C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)c2cc(F)ccc2n1C ZINC000895440126 724134718 /nfs/dbraw/zinc/13/47/18/724134718.db2.gz OOXIOBCVLOZTPL-FIXISWKDSA-N 1 0 334.391 2.760 10 10 EFCERO COc1cc(C)cc(C[NH2+]CCOC(F)(F)C(F)(F)F)c1O ZINC000895475601 724152798 /nfs/dbraw/zinc/15/27/98/724152798.db2.gz YEFGNCUYXJALLU-UHFFFAOYSA-N 1 0 329.265 2.971 10 10 EFCERO c1csc([C@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC000895581426 724211895 /nfs/dbraw/zinc/21/18/95/724211895.db2.gz AGZGXEQPAQTLAP-INIZCTEOSA-N 1 0 329.469 2.969 10 10 EFCERO COc1cc(O)c(C[NH2+]C[C@@]2(C)OCCc3ccccc32)cc1OC ZINC000895640276 724238670 /nfs/dbraw/zinc/23/86/70/724238670.db2.gz SFECOPQCGKRPDW-HXUWFJFHSA-N 1 0 343.423 2.987 10 10 EFCERO COc1cc(Cl)cc(C[NH2+]C[C@H](O)Cc2ccccc2F)c1O ZINC000895749036 724293957 /nfs/dbraw/zinc/29/39/57/724293957.db2.gz KFZOQBFCNUEUQD-CQSZACIVSA-N 1 0 339.794 2.887 10 10 EFCERO COc1cc(Cl)cc(C[NH2+]C[C@@H](O)Cc2ccccc2F)c1O ZINC000895749035 724294052 /nfs/dbraw/zinc/29/40/52/724294052.db2.gz KFZOQBFCNUEUQD-AWEZNQCLSA-N 1 0 339.794 2.887 10 10 EFCERO COc1cc(Cl)cc(C[NH2+]C[C@@H](O)Cc2ccc(F)cc2)c1O ZINC000895753898 724299021 /nfs/dbraw/zinc/29/90/21/724299021.db2.gz VXYPASWICXTCFO-HNNXBMFYSA-N 1 0 339.794 2.887 10 10 EFCERO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc2cc(O)c(O)cc2s1 ZINC000895756441 724300365 /nfs/dbraw/zinc/30/03/65/724300365.db2.gz XAZWIOQGRQAUOQ-RYUDHWBXSA-N 1 0 332.425 2.669 10 10 EFCERO C[C@@]1(C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)CCCS1 ZINC000895813125 724328396 /nfs/dbraw/zinc/32/83/96/724328396.db2.gz DEFFLDFSLPOCHH-IBGZPJMESA-N 1 0 347.528 2.764 10 10 EFCERO NC(=O)C1CCN(c2ccc(C[NH2+]C[C@@H]3C[C@H]4C[C@H]4C3)cc2)CC1 ZINC000895813824 724328401 /nfs/dbraw/zinc/32/84/01/724328401.db2.gz HPZGGBWXBHMAPT-VBUUOAMHSA-N 1 0 327.472 2.524 10 10 EFCERO Fc1cc(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)ccc1N1CCOCC1 ZINC000895845904 724347303 /nfs/dbraw/zinc/34/73/03/724347303.db2.gz PRYRZDJNHRYXGP-VQIMIIECSA-N 1 0 334.435 2.663 10 10 EFCERO COC[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)[C@H]1CCCOC1 ZINC000895854335 724353648 /nfs/dbraw/zinc/35/36/48/724353648.db2.gz KFHSYHSRALOPCJ-FZMZJTMJSA-N 1 0 329.824 2.585 10 10 EFCERO COC[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)[C@@H]1CCCOC1 ZINC000895854333 724353748 /nfs/dbraw/zinc/35/37/48/724353748.db2.gz KFHSYHSRALOPCJ-BXUZGUMPSA-N 1 0 329.824 2.585 10 10 EFCERO COC[C@H]([NH2+]Cc1ccc(Br)cc1O)[C@@H]1CCCOC1 ZINC000895859159 724355386 /nfs/dbraw/zinc/35/53/86/724355386.db2.gz MYOPJZZQUZXPKE-OCCSQVGLSA-N 1 0 344.249 2.686 10 10 EFCERO OC1(C2(C[NH2+]Cc3ccc(N4CCOCC4)c(F)c3)CCC2)CCC1 ZINC000895870234 724356650 /nfs/dbraw/zinc/35/66/50/724356650.db2.gz MCQASIDVDRFMGQ-UHFFFAOYSA-N 1 0 348.462 2.837 10 10 EFCERO COc1cccc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)c1O ZINC000721860919 725699160 /nfs/dbraw/zinc/69/91/60/725699160.db2.gz LJRZMVVHMBFIMZ-TZMCWYRMSA-N 1 0 336.432 2.746 10 10 EFCERO CCN(CC)c1ccc(CNC(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000732450256 727084027 /nfs/dbraw/zinc/08/40/27/727084027.db2.gz PXTLOEAVOILBPX-IBGZPJMESA-N 1 0 344.503 2.911 10 10 EFCERO COc1ccc(N2CCN(CC[NH2+]C(C3CC3)C3CC3)CC2)cc1 ZINC000324593749 727559764 /nfs/dbraw/zinc/55/97/64/727559764.db2.gz FRYHWRKYSANNCZ-UHFFFAOYSA-N 1 0 329.488 2.595 10 10 EFCERO COc1ccc(N2CC[NH+](C[C@@H](O)c3ccccc3C)CC2)cc1 ZINC000324688508 727739004 /nfs/dbraw/zinc/73/90/04/727739004.db2.gz LSCLVDXKUSIVHO-HXUWFJFHSA-N 1 0 326.440 2.859 10 10 EFCERO Cc1ncc(C[NH2+]Cc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cn1 ZINC000917140351 727776799 /nfs/dbraw/zinc/77/67/99/727776799.db2.gz PVZHGMNZKLEYAC-KBPBESRZSA-N 1 0 344.434 2.828 10 10 EFCERO COc1cc(C)cc(CN2CCN(Cc3cnc(C)s3)CC2)c1O ZINC000164316545 727933650 /nfs/dbraw/zinc/93/36/50/727933650.db2.gz AJXPZLDTSNPSKH-UHFFFAOYSA-N 1 0 347.484 2.792 10 10 EFCERO Cc1noc([C@@H](C)N2CC[NH+](Cc3cc(C)cc(C)c3O)CC2)n1 ZINC000164380072 727938133 /nfs/dbraw/zinc/93/81/33/727938133.db2.gz YAMFNVCYCYUMQD-CQSZACIVSA-N 1 0 330.432 2.579 10 10 EFCERO COc1cc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c(O)c(C(C)(C)C)c1 ZINC000164410897 727944350 /nfs/dbraw/zinc/94/43/50/727944350.db2.gz SKGDCVMRLPQGTR-MRXNPFEDSA-N 1 0 348.487 2.605 10 10 EFCERO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2cc(F)cc(F)c2)c1 ZINC000182345187 728108775 /nfs/dbraw/zinc/10/87/75/728108775.db2.gz QJYAHKUWTLFLGY-SNVBAGLBSA-N 1 0 336.338 2.968 10 10 EFCERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000174443161 728666668 /nfs/dbraw/zinc/66/66/68/728666668.db2.gz DJJPYOGOUCBIMJ-HZPDHXFCSA-N 1 0 348.466 2.660 10 10 EFCERO CN(C)c1ccc(CN(C(=O)N[C@@H]2CCC[N@H+](C)C2)C2CC2)cc1 ZINC000919657243 729063918 /nfs/dbraw/zinc/06/39/18/729063918.db2.gz IHFTYEFPBXTRSZ-MRXNPFEDSA-N 1 0 330.476 2.521 10 10 EFCERO [O-]c1c(Br)cccc1C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000179467796 729544828 /nfs/dbraw/zinc/54/48/28/729544828.db2.gz GPCXEXVVEPGRRY-GFCCVEGCSA-N 1 0 337.221 2.583 10 10 EFCERO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000179961343 729659099 /nfs/dbraw/zinc/65/90/99/729659099.db2.gz FFWPKCYSNXAKJA-QGZVFWFLSA-N 1 0 346.471 2.687 10 10 EFCERO CC(=O)c1cc(F)cc(C[NH2+][C@@](C)(CO)Cc2ccccc2F)c1O ZINC000933436026 1126140716 /nfs/dbraw/zinc/14/07/16/1126140716.db2.gz UBMHVDLXAAWJBB-LJQANCHMSA-N 1 0 349.377 2.956 10 10 EFCERO CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001569829360 1085651750 /nfs/dbraw/zinc/65/17/50/1085651750.db2.gz XRJVIYYLJXTEDE-GXTWGEPZSA-N 1 0 331.420 2.699 10 10 EFCERO CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001569829362 1085651774 /nfs/dbraw/zinc/65/17/74/1085651774.db2.gz XRJVIYYLJXTEDE-OCCSQVGLSA-N 1 0 331.420 2.699 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2cncs2)cc1C ZINC001570454054 1086254261 /nfs/dbraw/zinc/25/42/61/1086254261.db2.gz PSOGXDVTYTZVRB-ZDUSSCGKSA-N 1 0 333.457 2.758 10 10 EFCERO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)C2CCOCC2)cc1C ZINC001571208301 1086676934 /nfs/dbraw/zinc/67/69/34/1086676934.db2.gz FQGMDRKYVBOWMM-MRXNPFEDSA-N 1 0 348.487 2.805 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CCCF)C2)cc1 ZINC001571549309 1086952874 /nfs/dbraw/zinc/95/28/74/1086952874.db2.gz ABSYMYDLGGOZDB-IUODEOHRSA-N 1 0 349.410 2.697 10 10 EFCERO Cc1cc(CN2CCC([NH2+]C3CCOCC3)CC2)ccc1N(C)C ZINC001620577301 1090745699 /nfs/dbraw/zinc/74/56/99/1090745699.db2.gz BIWHVFRRFIQDCW-UHFFFAOYSA-N 1 0 331.504 2.794 10 10 EFCERO CCc1c(C(=O)NC[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)ccn1C ZINC001266971941 1092222308 /nfs/dbraw/zinc/22/23/08/1092222308.db2.gz RHFYYORQBCSGEI-HNNXBMFYSA-N 1 0 343.471 2.813 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2nc(C)oc2C)cc1C ZINC001266980601 1092235674 /nfs/dbraw/zinc/23/56/74/1092235674.db2.gz AJAHRZLALNSZIY-GFCCVEGCSA-N 1 0 331.416 2.517 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)C[C@@H](C)[C@H]2CCCO2)cc1C ZINC001267014002 1092346682 /nfs/dbraw/zinc/34/66/82/1092346682.db2.gz KPXQIFSJGGXHSN-VQIMIIECSA-N 1 0 348.487 2.757 10 10 EFCERO CCO[C@H](CC)C(=O)N1CC[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001267033295 1092412427 /nfs/dbraw/zinc/41/24/27/1092412427.db2.gz SMMVISZWNAUBLY-QZTJIDSGSA-N 1 0 348.487 2.757 10 10 EFCERO CC(C)C[NH2+]CCC[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001649468345 1092509238 /nfs/dbraw/zinc/50/92/38/1092509238.db2.gz AXLUNHHFOUCJLB-CYBMUJFWSA-N 1 0 333.436 2.993 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)c2nc(C)c(C)s2)cc1C ZINC001267098863 1092699253 /nfs/dbraw/zinc/69/92/53/1092699253.db2.gz IFLJCFDMFORBRE-UHFFFAOYSA-N 1 0 347.484 2.939 10 10 EFCERO C[C@@H](NC(=O)[C@@H]1CCN(c2cc[nH+]cc2)C1)c1ccc(N(C)C)cc1 ZINC001650952291 1093512532 /nfs/dbraw/zinc/51/25/32/1093512532.db2.gz CDFYPKFDERVPHV-NVXWUHKLSA-N 1 0 338.455 2.851 10 10 EFCERO O=C(NCc1cc(O)ccc1O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC001651222489 1093540378 /nfs/dbraw/zinc/54/03/78/1093540378.db2.gz HYCKLIFFHAZMRY-UHFFFAOYSA-N 1 0 335.363 2.588 10 10 EFCERO Cc1ccc(C2CC[NH+](Cc3cc4c(cc3O)OC[C@@H]4O)CC2)cn1 ZINC000782940444 1094505640 /nfs/dbraw/zinc/50/56/40/1094505640.db2.gz FRUIPZLVGWTAOD-IBGZPJMESA-N 1 0 340.423 2.901 10 10 EFCERO O=C(NCc1c(O)cccc1O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001597568215 1094600734 /nfs/dbraw/zinc/60/07/34/1094600734.db2.gz BPNHPGRDWUFXAZ-MRXNPFEDSA-N 1 0 340.423 2.626 10 10 EFCERO O=C(NCc1c(O)cccc1O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001597568213 1094600852 /nfs/dbraw/zinc/60/08/52/1094600852.db2.gz BPNHPGRDWUFXAZ-INIZCTEOSA-N 1 0 340.423 2.626 10 10 EFCERO O=C(NCc1c(O)cccc1O)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC001597573356 1094602851 /nfs/dbraw/zinc/60/28/51/1094602851.db2.gz DBYCYRKLYUVYER-QGZVFWFLSA-N 1 0 340.423 2.594 10 10 EFCERO C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3C[C@@H]3C3CCCC3)cc2)CC1 ZINC001598277478 1094666177 /nfs/dbraw/zinc/66/61/77/1094666177.db2.gz QDIMDEMDQKYSKW-UXHICEINSA-N 1 0 341.499 2.881 10 10 EFCERO CCc1noc(C)c1C(=O)N(C)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267468043 1094706646 /nfs/dbraw/zinc/70/66/46/1094706646.db2.gz SLZJDMALPQVGEB-UHFFFAOYSA-N 1 0 345.443 2.724 10 10 EFCERO C[C@@H]([NH2+][C@@H]1CCCc2n[nH]cc21)c1ccc(N2CCOCC2)cc1 ZINC000796705359 1094885018 /nfs/dbraw/zinc/88/50/18/1094885018.db2.gz PSRNVHDKZLWFHW-RDTXWAMCSA-N 1 0 326.444 2.975 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C2CC(F)(F)C2)cc1C ZINC001268055425 1095044301 /nfs/dbraw/zinc/04/43/01/1095044301.db2.gz AYEYOGWZMCZBDY-ZDUSSCGKSA-N 1 0 340.414 2.985 10 10 EFCERO COCC(=O)NC[C@@H]([NH2+]Cc1ccc(OC)c(C)c1)c1ccccc1 ZINC001267516431 1095166014 /nfs/dbraw/zinc/16/60/14/1095166014.db2.gz CMWFSCIQYXKLFN-GOSISDBHSA-N 1 0 342.439 2.597 10 10 EFCERO C[C@H](F)CC[NH2+]C[C@H](C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001268098084 1095348066 /nfs/dbraw/zinc/34/80/66/1095348066.db2.gz NZVQFLPEYSUUOT-RYUDHWBXSA-N 1 0 337.399 2.647 10 10 EFCERO CC(C)[N@@H+]1CC[C@@H](CCNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001267572447 1095743057 /nfs/dbraw/zinc/74/30/57/1095743057.db2.gz ZUYRZMVFLWXOFK-CYBMUJFWSA-N 1 0 331.420 2.699 10 10 EFCERO COCCC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001268180119 1096030337 /nfs/dbraw/zinc/03/03/37/1096030337.db2.gz LTVHKOOCQTYQSF-MAUKXSAKSA-N 1 0 348.487 2.757 10 10 EFCERO CCCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001481709766 1096357189 /nfs/dbraw/zinc/35/71/89/1096357189.db2.gz OBYVYZMMRCNCOP-OAHLLOKOSA-N 1 0 331.420 2.843 10 10 EFCERO CCc1n[nH]cc1C(=O)NC[C@@H](CC)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001481828654 1096753159 /nfs/dbraw/zinc/75/31/59/1096753159.db2.gz WNXCGKPPYSCKCN-OAHLLOKOSA-N 1 0 344.459 2.587 10 10 EFCERO CC(C)[NH2+]CC1(NC(=O)c2ccc(N=NC(N)=O)cc2)CCCC1 ZINC001481912721 1096914537 /nfs/dbraw/zinc/91/45/37/1096914537.db2.gz FVORESLOGABFKJ-UHFFFAOYSA-N 1 0 331.420 2.890 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@@H]2CCCOCC2)cc1C ZINC001482097116 1097259472 /nfs/dbraw/zinc/25/94/72/1097259472.db2.gz SPFOHYPKJXZOQP-MAUKXSAKSA-N 1 0 348.487 2.662 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)C2CC(F)(F)C2)cc1C ZINC001268643488 1097500624 /nfs/dbraw/zinc/50/06/24/1097500624.db2.gz YQNSGGQWSAGJIF-GFCCVEGCSA-N 1 0 326.387 2.643 10 10 EFCERO C[C@H](C[NH2+]CCC(F)(F)F)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001268676333 1097530666 /nfs/dbraw/zinc/53/06/66/1097530666.db2.gz PRVVWSXUTVHAOO-SECBINFHSA-N 1 0 345.325 2.509 10 10 EFCERO CC[C@@H](CNC(=O)Cc1ccoc1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001269398725 1098112833 /nfs/dbraw/zinc/11/28/33/1098112833.db2.gz UECZABSXLNUYPE-KRWDZBQOSA-N 1 0 330.428 2.824 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)NCC2([NH2+]CCCF)CCCC2)cc1 ZINC001482238355 1098373112 /nfs/dbraw/zinc/37/31/12/1098373112.db2.gz OWYZFLWHWMGLGQ-UHFFFAOYSA-N 1 0 349.410 2.841 10 10 EFCERO CCc1[nH]ccc1C(=O)N(C)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001481225838 1098603683 /nfs/dbraw/zinc/60/36/83/1098603683.db2.gz VQKZKNFNRAPMFJ-UHFFFAOYSA-N 1 0 329.444 2.756 10 10 EFCERO COCC(C)(C)C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001270098991 1098693767 /nfs/dbraw/zinc/69/37/67/1098693767.db2.gz YSMZINWJIOMFJW-KRWDZBQOSA-N 1 0 348.487 2.757 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C2=COCCC2)cc1C ZINC001482265448 1098699917 /nfs/dbraw/zinc/69/99/17/1098699917.db2.gz OWKFPHYCVXUUAB-HNNXBMFYSA-N 1 0 332.444 2.634 10 10 EFCERO CC(=O)N1CCN(Cc2cc(C)cc(Br)c2O)[C@@H](C)C1 ZINC000781912339 1098700845 /nfs/dbraw/zinc/70/08/45/1098700845.db2.gz PFMWWQUYFYQZOX-NSHDSACASA-N 1 0 341.249 2.516 10 10 EFCERO COC[C@@](C)([NH3+])CNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001611993642 1099040015 /nfs/dbraw/zinc/04/00/15/1099040015.db2.gz HODYGNQUZNWZPV-SFHVURJKSA-N 1 0 343.383 2.602 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)c2cnoc2C2CC2)cc1C ZINC001481298204 1099119035 /nfs/dbraw/zinc/11/90/35/1099119035.db2.gz MHFJLGNTITZZJJ-UHFFFAOYSA-N 1 0 343.427 2.731 10 10 EFCERO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cc2ccc(O)c(O)c2)C1 ZINC001617193819 1099226097 /nfs/dbraw/zinc/22/60/97/1099226097.db2.gz RBAIAVUXNZGJHZ-CQSZACIVSA-N 1 0 334.460 2.657 10 10 EFCERO CC[C@H](CNC(=O)c1cnn(CC)c1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267801216 1099306406 /nfs/dbraw/zinc/30/64/06/1099306406.db2.gz SAXSEXREQLJETF-QGZVFWFLSA-N 1 0 344.459 2.518 10 10 EFCERO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001618830333 1099323072 /nfs/dbraw/zinc/32/30/72/1099323072.db2.gz LTWKCNXEPIRBMW-ZDUSSCGKSA-N 1 0 331.420 2.843 10 10 EFCERO CCN(C)c1ccc(C[NH+]2CCN(c3cncc(OC)c3)CC2)cc1 ZINC001620502208 1099356419 /nfs/dbraw/zinc/35/64/19/1099356419.db2.gz YGDXZUIDUBIZSV-UHFFFAOYSA-N 1 0 340.471 2.869 10 10 EFCERO O=C(NCc1ccc(O)c(O)c1)c1ccc(NC2=[NH+]CCC2)cc1 ZINC001622664541 1099535249 /nfs/dbraw/zinc/53/52/49/1099535249.db2.gz XENSFHZMJFAHFN-UHFFFAOYSA-N 1 0 325.368 2.632 10 10 EFCERO C[NH+](C)Cc1cccc(CNC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001624022220 1099653093 /nfs/dbraw/zinc/65/30/93/1099653093.db2.gz ZHLJDTXBARYDFL-UHFFFAOYSA-N 1 0 339.399 2.841 10 10 EFCERO C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[NH+]1CCC(C)CC1 ZINC001625931910 1099697373 /nfs/dbraw/zinc/69/73/73/1099697373.db2.gz ABVSZBHYVZXXPP-ZDUSSCGKSA-N 1 0 331.420 2.699 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2nccs2)cc1C ZINC001482344750 1099718189 /nfs/dbraw/zinc/71/81/89/1099718189.db2.gz PHUMNGVJLWGEBO-CYBMUJFWSA-N 1 0 333.457 2.710 10 10 EFCERO CC[C@@H](C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)N1CCO[C@H](CC)C1 ZINC001625544895 1099824736 /nfs/dbraw/zinc/82/47/36/1099824736.db2.gz ZBNQECGMEGBTQC-IPELMVKDSA-N 1 0 347.503 2.819 10 10 EFCERO O=C(Cc1ccc(O)c(O)c1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001628497822 1100108358 /nfs/dbraw/zinc/10/83/58/1100108358.db2.gz CUHVYYBANGLPID-OAHLLOKOSA-N 1 0 344.411 2.577 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)c2ccc(C)n2C)cc1C ZINC001270897163 1100149053 /nfs/dbraw/zinc/14/90/53/1100149053.db2.gz ZACLLAILRARLBM-INIZCTEOSA-N 1 0 343.471 2.901 10 10 EFCERO O=C(CC[N@@H+]1CC[C@@H](F)C1)N(Cc1ccco1)Cc1ccccc1O ZINC001629943839 1100262629 /nfs/dbraw/zinc/26/26/29/1100262629.db2.gz RDIMBJFEGYRHBA-MRXNPFEDSA-N 1 0 346.402 2.948 10 10 EFCERO C[N@H+](CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)CC(C)(C)C ZINC001631218733 1100381762 /nfs/dbraw/zinc/38/17/62/1100381762.db2.gz BKXOOUXNUTVHFQ-KRWDZBQOSA-N 1 0 348.487 2.878 10 10 EFCERO COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC001632048676 1100450730 /nfs/dbraw/zinc/45/07/30/1100450730.db2.gz FHPKQQABGQZYNO-AEFFLSMTSA-N 1 0 347.503 2.710 10 10 EFCERO CC1CC[NH+](CC[C@@H]2CCCN2C(=O)c2cccc(O)c2O)CC1 ZINC001632164612 1100456833 /nfs/dbraw/zinc/45/68/33/1100456833.db2.gz ATHJSLFDLYRACK-HNNXBMFYSA-N 1 0 332.444 2.824 10 10 EFCERO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC001634386710 1100605767 /nfs/dbraw/zinc/60/57/67/1100605767.db2.gz FQTVQHLOTGKYET-QGZVFWFLSA-N 1 0 331.460 2.598 10 10 EFCERO CC(C)[C@@H]1C[C@H]1CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001635301592 1100653167 /nfs/dbraw/zinc/65/31/67/1100653167.db2.gz BLEQXSNMLBYBRQ-WDSOQIARSA-N 1 0 346.519 2.947 10 10 EFCERO O=C(NCc1c(O)cccc1O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001635846825 1100683686 /nfs/dbraw/zinc/68/36/86/1100683686.db2.gz BSGSPROZUVCMPS-KRWDZBQOSA-N 1 0 340.423 2.769 10 10 EFCERO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC001636267472 1100710378 /nfs/dbraw/zinc/71/03/78/1100710378.db2.gz PZJOXRASYWLKLJ-SJORKVTESA-N 1 0 346.519 2.776 10 10 EFCERO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCC[N@@H+]1CCC[C@H]1C ZINC001636267469 1100710390 /nfs/dbraw/zinc/71/03/90/1100710390.db2.gz PZJOXRASYWLKLJ-DLBZAZTESA-N 1 0 346.519 2.776 10 10 EFCERO CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCC1([NH+](C)C)CC1 ZINC001636461333 1100719990 /nfs/dbraw/zinc/71/99/90/1100719990.db2.gz WDASNOQUVHTNIH-UHFFFAOYSA-N 1 0 330.476 2.522 10 10 EFCERO C[NH+](C)CC1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CCCC1 ZINC001638215304 1100841994 /nfs/dbraw/zinc/84/19/94/1100841994.db2.gz MYRLARHYRCIQMS-UHFFFAOYSA-N 1 0 331.420 2.701 10 10 EFCERO CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2C[C@H]2C2CCC2)[NH+](C)C)cc1 ZINC001638918198 1100898208 /nfs/dbraw/zinc/89/82/08/1100898208.db2.gz RQELZNLABNFCGX-IPMKNSEASA-N 1 0 344.503 2.843 10 10 EFCERO COc1ccc(N(C)CCN(C)C(=O)C(C)(C)[NH+]2CCCCC2)cc1 ZINC001639814200 1100985984 /nfs/dbraw/zinc/98/59/84/1100985984.db2.gz NXGQBAWQIDZFAJ-UHFFFAOYSA-N 1 0 347.503 2.854 10 10 EFCERO CC[NH+](CC)[C@H](CNC(=O)c1c(F)ccc(O)c1O)CC(C)C ZINC001641355706 1101128244 /nfs/dbraw/zinc/12/82/44/1101128244.db2.gz AZTOCHHQWPGCNO-LBPRGKRZSA-N 1 0 326.412 2.723 10 10 EFCERO O=C(NCc1ccc(Nc2cc[nH+]cc2)cc1)C1=CC(=O)CS1 ZINC001641526886 1101143947 /nfs/dbraw/zinc/14/39/47/1101143947.db2.gz YPTWOXWKNOHJES-UHFFFAOYSA-N 1 0 325.393 2.944 10 10 EFCERO Cc1cc(CN2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)ccc1N1CCCCC1 ZINC001642802185 1101244261 /nfs/dbraw/zinc/24/42/61/1101244261.db2.gz CBXFLDOAAIHLRC-RBUKOAKNSA-N 1 0 345.531 2.872 10 10 EFCERO C[C@@H]([NH2+]CCF)[C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001482481030 1101260075 /nfs/dbraw/zinc/26/00/75/1101260075.db2.gz IJLRPRYCLHVWGZ-OCCSQVGLSA-N 1 0 349.410 2.649 10 10 EFCERO O=C(NCc1ccc(O)cc1O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC001643103651 1101269369 /nfs/dbraw/zinc/26/93/69/1101269369.db2.gz DMMFFVBWSZBKLU-UHFFFAOYSA-N 1 0 325.368 2.632 10 10 EFCERO CC(C)=CC[NH2+]C[C@@H](C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001271229587 1101302709 /nfs/dbraw/zinc/30/27/09/1101302709.db2.gz YYUOUGPSMDXSBN-CYBMUJFWSA-N 1 0 331.420 2.865 10 10 EFCERO CC[C@@H](CCO)[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000848529718 1101514729 /nfs/dbraw/zinc/51/47/29/1101514729.db2.gz WXPQWTQJYMAYLK-KOLCDFICSA-N 1 0 332.238 2.975 10 10 EFCERO CO[C@@]1(C)C[C@@H]([N@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)C1(C)C ZINC001652571265 1101514703 /nfs/dbraw/zinc/51/47/03/1101514703.db2.gz ILBOAXDVDBIDIP-XLIONFOSSA-N 1 0 347.503 2.504 10 10 EFCERO CO[C@@]1(C)C[C@H]([N@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)C1(C)C ZINC001652571264 1101515019 /nfs/dbraw/zinc/51/50/19/1101515019.db2.gz ILBOAXDVDBIDIP-PXNSSMCTSA-N 1 0 347.503 2.504 10 10 EFCERO CC[C@H](CCO)[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000848529719 1101515331 /nfs/dbraw/zinc/51/53/31/1101515331.db2.gz WXPQWTQJYMAYLK-MWLCHTKSSA-N 1 0 332.238 2.975 10 10 EFCERO COc1ccc(N(C)CC[N@H+](C)C[C@@](C)(O)c2ccccc2)cc1 ZINC001654113770 1101684514 /nfs/dbraw/zinc/68/45/14/1101684514.db2.gz ANXLWAYWHUZEAQ-HXUWFJFHSA-N 1 0 328.456 2.971 10 10 EFCERO COc1ccc(N(C)CC[N@H+](C)C[C@@H]2COc3ccccc3O2)cc1 ZINC001654947322 1101771082 /nfs/dbraw/zinc/77/10/82/1101771082.db2.gz JDAVOPXIJQVBPY-GOSISDBHSA-N 1 0 342.439 2.903 10 10 EFCERO CCN(C)c1ccc(C[N@@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)cc1 ZINC001655302727 1101809060 /nfs/dbraw/zinc/80/90/60/1101809060.db2.gz IPMATPCCFCNLQT-WOJBJXKFSA-N 1 0 326.440 2.767 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)Cc3ccc[nH]3)C2)cc1C ZINC001656240666 1102012589 /nfs/dbraw/zinc/01/25/89/1102012589.db2.gz AUYZTPKARGAEPR-SAABIXHNSA-N 1 0 341.455 2.559 10 10 EFCERO CCOCC(=O)N1CCCCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001656877219 1102232805 /nfs/dbraw/zinc/23/28/05/1102232805.db2.gz JGFNBKKZZBFDPM-GOSISDBHSA-N 1 0 348.487 2.901 10 10 EFCERO COc1ccc(C[NH2+]C2CC(CNC(=O)C[C@H]3CCCO3)C2)cc1C ZINC001657173099 1102353354 /nfs/dbraw/zinc/35/33/54/1102353354.db2.gz AOYQHPIGFLNKFU-DAWZGUTISA-N 1 0 346.471 2.557 10 10 EFCERO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)c(Cl)c1 ZINC000840943255 1102524635 /nfs/dbraw/zinc/52/46/35/1102524635.db2.gz ZFKONAIBLYBGLI-HNNXBMFYSA-N 1 0 338.879 2.898 10 10 EFCERO COc1ccc(C[NH2+][C@H](CNC(=O)c2ccncc2)C(C)C)cc1C ZINC001271799575 1102706569 /nfs/dbraw/zinc/70/65/69/1102706569.db2.gz MPORHEAIOCOMHW-GOSISDBHSA-N 1 0 341.455 2.943 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)Cc2ccncc2C)cc1C ZINC001266939591 1102735863 /nfs/dbraw/zinc/73/58/63/1102735863.db2.gz KOZMZLMECAGOMQ-MRXNPFEDSA-N 1 0 341.455 2.544 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)C2(C(F)F)CC2)cc1C ZINC001266940204 1102737775 /nfs/dbraw/zinc/73/77/75/1102737775.db2.gz XPZSMJGZIWLXKH-LBPRGKRZSA-N 1 0 326.387 2.643 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CC[C@H]3CCOC3)C2)cc1C ZINC001266584712 1102908482 /nfs/dbraw/zinc/90/84/82/1102908482.db2.gz LKYAVCDXSFGHJT-SZMVWBNQSA-N 1 0 346.471 2.557 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H]2Cc3ccccc32)cc1C ZINC001483261151 1103178994 /nfs/dbraw/zinc/17/89/94/1103178994.db2.gz VFFKPPSEHSAAPJ-KXBFYZLASA-N 1 0 338.451 2.938 10 10 EFCERO Oc1cc2c(cc1C[N@@H+]1CC[C@]3(CC(F)(F)C3(F)F)C1)OCO2 ZINC000905678531 1103492387 /nfs/dbraw/zinc/49/23/87/1103492387.db2.gz OZEGZARANBDNKL-ZDUSSCGKSA-N 1 0 333.281 2.987 10 10 EFCERO C[C@@]1([C@@H]2CCC[N@H+](Cc3cc4c(cc3O)CCCC4)C2)COC(=O)N1 ZINC000905701825 1103511458 /nfs/dbraw/zinc/51/14/58/1103511458.db2.gz RYPCVVDBUHAKTE-XLIONFOSSA-N 1 0 344.455 2.982 10 10 EFCERO COc1ccc(C[NH2+]CCCN(C)C(=O)c2cncc(F)c2)cc1C ZINC001483460097 1103756483 /nfs/dbraw/zinc/75/64/83/1103756483.db2.gz OYBVWCSNXAAIPI-UHFFFAOYSA-N 1 0 345.418 2.790 10 10 EFCERO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@@]2(C)CCCOC2)cc1C ZINC001483499909 1103848990 /nfs/dbraw/zinc/84/89/90/1103848990.db2.gz DSDJDQFPKCAMHH-FQEVSTJZSA-N 1 0 348.487 2.758 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2cc(C)no2)cc1C ZINC001662887475 1103887972 /nfs/dbraw/zinc/88/79/72/1103887972.db2.gz HPLOJBKTFKDNDP-ZDUSSCGKSA-N 1 0 331.416 2.598 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)C(C)(C)C(F)F)cc1C ZINC001664174393 1104306119 /nfs/dbraw/zinc/30/61/19/1104306119.db2.gz PSHNZYLOZDRPPM-UHFFFAOYSA-N 1 0 328.403 2.843 10 10 EFCERO c1ccc(COCC[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000080244393 1104542976 /nfs/dbraw/zinc/54/29/76/1104542976.db2.gz VERVHGBRWSORGQ-UHFFFAOYSA-N 1 0 326.440 2.830 10 10 EFCERO COc1ccc(C[NH2+]CCC2CCN(C(=O)[C@@H](C)OC)CC2)cc1C ZINC001666190946 1104897975 /nfs/dbraw/zinc/89/79/75/1104897975.db2.gz KQGOAALSKHSPTB-MRXNPFEDSA-N 1 0 348.487 2.757 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2[C@@H]3CCC[C@@H]32)cc1C ZINC001666875861 1105011591 /nfs/dbraw/zinc/01/15/91/1105011591.db2.gz BUFRMMJIFZUPDQ-ITQYTPKQSA-N 1 0 330.472 2.986 10 10 EFCERO CCc1ocnc1C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001482821276 1105050954 /nfs/dbraw/zinc/05/09/54/1105050954.db2.gz OUKNZPVKPSAABT-AWEZNQCLSA-N 1 0 345.443 2.852 10 10 EFCERO COc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)CC(C)(C)O)cc1C ZINC001667722626 1105187783 /nfs/dbraw/zinc/18/77/83/1105187783.db2.gz OHHRRWAJHLXTAM-SJORKVTESA-N 1 0 348.487 2.539 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)NC/C=C/C[NH2+]CC2CCCC2)cc1 ZINC001669212787 1105459250 /nfs/dbraw/zinc/45/92/50/1105459250.db2.gz DAXJKDJCCOSGSH-HPOMVFMNSA-N 1 0 343.431 2.915 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)CCc2ccco2)cc1C ZINC001669242542 1105464102 /nfs/dbraw/zinc/46/41/02/1105464102.db2.gz QEMYZFBPXSXOQD-OAHLLOKOSA-N 1 0 330.428 2.824 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)/C=C\c2ccc[nH]2)cc1C ZINC001669275521 1105468155 /nfs/dbraw/zinc/46/81/55/1105468155.db2.gz BWPBNBHGOIZSGP-SOIVGHGOSA-N 1 0 327.428 2.639 10 10 EFCERO COc1ccsc1C(=O)N[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001669454331 1105484450 /nfs/dbraw/zinc/48/44/50/1105484450.db2.gz PPVJMPYTSJRBBN-CYBMUJFWSA-N 1 0 348.468 2.982 10 10 EFCERO O=C(NCC1CC1)[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000054521256 1105523448 /nfs/dbraw/zinc/52/34/48/1105523448.db2.gz AQNGRZGVXZJBNV-KRWDZBQOSA-N 1 0 328.456 2.619 10 10 EFCERO COc1ccc(C[NH2+]CCCN(C)C(=O)c2cc(C)on2)cc1C ZINC001670008000 1105568044 /nfs/dbraw/zinc/56/80/44/1105568044.db2.gz DDESBWKBYNMZNJ-UHFFFAOYSA-N 1 0 331.416 2.552 10 10 EFCERO CC[C@@H](C)C(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CCOCC1 ZINC001671920900 1105732640 /nfs/dbraw/zinc/73/26/40/1105732640.db2.gz CYUXNTBOXVDBKO-OAHLLOKOSA-N 1 0 348.487 2.805 10 10 EFCERO C[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)[C@@H](C)C[N@@H+]1CCO ZINC000841892456 1105854159 /nfs/dbraw/zinc/85/41/59/1105854159.db2.gz ZERWVGBRZFCWOO-MSOLQXFVSA-N 1 0 331.504 2.564 10 10 EFCERO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001673745484 1106080587 /nfs/dbraw/zinc/08/05/87/1106080587.db2.gz UYEJMSINGXLLDJ-QFBILLFUSA-N 1 0 346.519 2.776 10 10 EFCERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000841985768 1106095006 /nfs/dbraw/zinc/09/50/06/1106095006.db2.gz BOMLTHJIZGCQTQ-YOEHRIQHSA-N 1 0 343.427 2.695 10 10 EFCERO CC(C)=CC[NH2+][C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1C ZINC001673933512 1106105710 /nfs/dbraw/zinc/10/57/10/1106105710.db2.gz LGMPXWWZHMKELU-XJKSGUPXSA-N 1 0 343.431 2.865 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc1C ZINC001674236458 1106160032 /nfs/dbraw/zinc/16/00/32/1106160032.db2.gz ZZEQRVSKAAVXDS-WFEDQXDTSA-N 1 0 346.471 2.556 10 10 EFCERO CC(C)(C[NH+]1CCCC1)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897942488 1106161469 /nfs/dbraw/zinc/16/14/69/1106161469.db2.gz HTVLGOXQJBWTNB-UHFFFAOYSA-N 1 0 334.441 2.917 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)COC(C)C)cc1C ZINC001674366544 1106177373 /nfs/dbraw/zinc/17/73/73/1106177373.db2.gz AEKUUZGFASGIDB-SFHVURJKSA-N 1 0 348.487 2.899 10 10 EFCERO CCCN(C(=O)c1cc2cc(O)c(O)cc2s1)[C@@H]1CC[N@H+](C)C1 ZINC000898083732 1106228468 /nfs/dbraw/zinc/22/84/68/1106228468.db2.gz ZSAOMHIFWYXVKA-GFCCVEGCSA-N 1 0 334.441 2.869 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc2ccc[nH]2)cc1C ZINC001674775146 1106254804 /nfs/dbraw/zinc/25/48/04/1106254804.db2.gz UQPVXGWTRXCJOV-LSDHHAIUSA-N 1 0 329.444 2.557 10 10 EFCERO COc1ccc(C[NH2+]CC(C)(C)CN(C)C(=O)c2ccon2)cc1C ZINC001674818722 1106262222 /nfs/dbraw/zinc/26/22/22/1106262222.db2.gz CQODWSLVOJKITC-UHFFFAOYSA-N 1 0 345.443 2.880 10 10 EFCERO CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2CC[N@H+](C)[C@H]2C)cc1 ZINC000925320969 1106382427 /nfs/dbraw/zinc/38/24/27/1106382427.db2.gz NJTMKDSYFBVJBE-YJBOKZPZSA-N 1 0 332.492 2.767 10 10 EFCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)c2cc(C)co2)cc1C ZINC001483048410 1106454351 /nfs/dbraw/zinc/45/43/51/1106454351.db2.gz RWFZGTQRKORERL-SNAWJCMRSA-N 1 0 328.412 2.981 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C2CC2)N(C)C(=O)c2ccc[nH]2)cc1C ZINC001676192462 1106496471 /nfs/dbraw/zinc/49/64/71/1106496471.db2.gz DYUCOWILRJNIEH-SFHVURJKSA-N 1 0 341.455 2.972 10 10 EFCERO C[C@@H](F)CC[NH2+][C@@H](C)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001676487650 1106535148 /nfs/dbraw/zinc/53/51/48/1106535148.db2.gz HSCNGFNNNPALRZ-NEPJUHHUSA-N 1 0 337.399 2.647 10 10 EFCERO C[C@H]1CCC[N@@H+]1CCNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC001676497921 1106537066 /nfs/dbraw/zinc/53/70/66/1106537066.db2.gz RQQOLJZNTAELON-AWEZNQCLSA-N 1 0 331.460 2.555 10 10 EFCERO COCCCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@H]1C ZINC001676627981 1106547432 /nfs/dbraw/zinc/54/74/32/1106547432.db2.gz OIKCWEQOXCBJBO-NVXWUHKLSA-N 1 0 334.460 2.509 10 10 EFCERO CC(C)[NH2+]C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(C)(C)C ZINC001677306503 1106694941 /nfs/dbraw/zinc/69/49/41/1106694941.db2.gz KGVMWFRGKJUJMG-AWEZNQCLSA-N 1 0 333.436 2.992 10 10 EFCERO COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@@H](C)SC)C2)cc1C ZINC001677382224 1106711147 /nfs/dbraw/zinc/71/11/47/1106711147.db2.gz YAFODGMKEWBVPI-IUDNXUCKSA-N 1 0 336.501 2.834 10 10 EFCERO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000925328814 1107414202 /nfs/dbraw/zinc/41/42/02/1107414202.db2.gz LEMFFWNAJOUYBN-CRAIPNDOSA-N 1 0 332.492 2.765 10 10 EFCERO C[C@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1cc(Br)ccc1O ZINC000926949377 1108235971 /nfs/dbraw/zinc/23/59/71/1108235971.db2.gz PHTIVOONNYMWHY-MAWWSGROSA-N 1 0 342.233 2.609 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)c3c(C)ccn3C)CC2)cc1C ZINC001483728912 1108382120 /nfs/dbraw/zinc/38/21/20/1108382120.db2.gz PMDPCSZEDLJZRZ-UHFFFAOYSA-N 1 0 341.455 2.703 10 10 EFCERO CC(C)[C@@H]1C[C@H]1CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001682576283 1108622915 /nfs/dbraw/zinc/62/29/15/1108622915.db2.gz URCZBNSCKCQGTO-HKUYNNGSSA-N 1 0 344.503 2.530 10 10 EFCERO CC[C@H]([NH2+]C[C@H](O)c1ccnn1C)c1ccc(C(F)(F)F)cc1O ZINC000927132231 1108949071 /nfs/dbraw/zinc/94/90/71/1108949071.db2.gz UCRWORPVPKJUJT-WFASDCNBSA-N 1 0 343.349 2.919 10 10 EFCERO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C12CCC2 ZINC000898825566 1109099647 /nfs/dbraw/zinc/09/96/47/1109099647.db2.gz KMNDSQXMDMWDHY-JKSUJKDBSA-N 1 0 346.452 2.915 10 10 EFCERO COCCCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@H]1C ZINC001483899594 1112541927 /nfs/dbraw/zinc/54/19/27/1112541927.db2.gz RNOLDARLYUDZCT-SJLPKXTDSA-N 1 0 348.487 2.899 10 10 EFCERO COc1ccc(C[NH2+]CC[C@@H]2CCN(C(=O)c3cnco3)C2)cc1C ZINC001484532608 1112987046 /nfs/dbraw/zinc/98/70/46/1112987046.db2.gz JJRQLSNDIVXVAO-OAHLLOKOSA-N 1 0 343.427 2.634 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)C3=COCCC3)CCC2)cc1C ZINC001484626661 1113076307 /nfs/dbraw/zinc/07/63/07/1113076307.db2.gz OTSNCPNMSFNICD-UHFFFAOYSA-N 1 0 344.455 2.826 10 10 EFCERO COc1ccc(C[NH2+][C@H]2CN(C(=O)CCC(F)F)C[C@@H]2C)cc1C ZINC001484894975 1117810980 /nfs/dbraw/zinc/81/09/80/1117810980.db2.gz ICEYHCWKUXEZTC-ZFWWWQNUSA-N 1 0 340.414 2.985 10 10 EFCERO CCc1n[nH]cc1C(=O)NCC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001484995141 1117929888 /nfs/dbraw/zinc/92/98/88/1117929888.db2.gz YYNGIBMNNLTVRK-AWEZNQCLSA-N 1 0 344.459 2.587 10 10 EFCERO CCn1cc(C(=O)N[C@H](C)CC[NH2+]Cc2ccc(OC)c(C)c2)cn1 ZINC001272695498 1117972914 /nfs/dbraw/zinc/97/29/14/1117972914.db2.gz MQDFOFSSCFSNKG-OAHLLOKOSA-N 1 0 344.459 2.518 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CC(F)(F)F)cc1C ZINC001485128061 1118074583 /nfs/dbraw/zinc/07/45/83/1118074583.db2.gz NQKBQPKHEFXZGQ-RYUDHWBXSA-N 1 0 332.366 2.939 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2ccn(C)c2C)cc1C ZINC001485190466 1118130838 /nfs/dbraw/zinc/13/08/38/1118130838.db2.gz POCNKYLJKXZGSO-CABCVRRESA-N 1 0 343.471 2.947 10 10 EFCERO C[NH2+][C@@H](Cc1cc(OC)c(OC)c(OC)c1)c1ccc(O)c(O)c1 ZINC000169325175 530042823 /nfs/dbraw/zinc/04/28/23/530042823.db2.gz VCAIQJBZGWLUNG-ZDUSSCGKSA-N 1 0 333.384 2.627 10 10 EFCERO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000066972236 215100311 /nfs/dbraw/zinc/10/03/11/215100311.db2.gz YGPDLUXYKZGNBV-KRWDZBQOSA-N 1 0 344.434 2.563 10 10 EFCERO CC[C@H]1CN(c2ccc([C@@H](C)[NH3+])cc2Br)CCN1C ZINC000104129686 219349740 /nfs/dbraw/zinc/34/97/40/219349740.db2.gz ZAZAKZRFAFUJLB-YPMHNXCESA-N 1 0 326.282 2.999 10 10 EFCERO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@@H](C)n1cccn1 ZINC000069372341 215391780 /nfs/dbraw/zinc/39/17/80/215391780.db2.gz QMZULVRIGSMLCD-HUUCEWRRSA-N 1 0 332.423 2.598 10 10 EFCERO Cc1cc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c(C)n1-c1ccccn1 ZINC000158861616 239017180 /nfs/dbraw/zinc/01/71/80/239017180.db2.gz DYZMJUIJPJTRJB-KSSFIOAISA-N 1 0 340.471 2.948 10 10 EFCERO COc1cc(O)c(C[NH+]2CCC(Cn3cccn3)CC2)cc1OC ZINC000160260367 239048377 /nfs/dbraw/zinc/04/83/77/239048377.db2.gz BMIXQEPPASXQSB-UHFFFAOYSA-N 1 0 331.416 2.518 10 10 EFCERO O=C(NCc1ccc(N2CCCC2)cc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000171632937 239152550 /nfs/dbraw/zinc/15/25/50/239152550.db2.gz BTIBRMXYDIPMLI-LJQANCHMSA-N 1 0 342.487 2.667 10 10 EFCERO Cc1ccc(O)c(C[NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)c1 ZINC000191763002 240005557 /nfs/dbraw/zinc/00/55/57/240005557.db2.gz MRTPICJCQCZVNT-KRWDZBQOSA-N 1 0 328.387 2.730 10 10 EFCERO Cc1ccc(O)c(C[NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)c1 ZINC000191762987 240006197 /nfs/dbraw/zinc/00/61/97/240006197.db2.gz MRTPICJCQCZVNT-QGZVFWFLSA-N 1 0 328.387 2.730 10 10 EFCERO CN(C)c1noc(C2CC[NH+](Cc3cc(Cl)ccc3O)CC2)n1 ZINC000191908570 240010449 /nfs/dbraw/zinc/01/04/49/240010449.db2.gz PUCSKZYOPQACIS-UHFFFAOYSA-N 1 0 336.823 2.874 10 10 EFCERO C[C@H]([NH2+]C1CCN(c2ncccn2)CC1)c1ccc(N(C)C)cc1 ZINC000192972818 240075086 /nfs/dbraw/zinc/07/50/86/240075086.db2.gz XDOHPOJNOQBPLC-HNNXBMFYSA-N 1 0 325.460 2.862 10 10 EFCERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000252443707 240305712 /nfs/dbraw/zinc/30/57/12/240305712.db2.gz NVRCEYADZFMRDT-APWZRJJASA-N 1 0 342.487 2.665 10 10 EFCERO C[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@@H]12)c1ccc(N2CCOCC2)c(F)c1 ZINC000251913433 240305765 /nfs/dbraw/zinc/30/57/65/240305765.db2.gz RWKFHHPICPTQJX-VGDUNAEUSA-N 1 0 334.435 2.880 10 10 EFCERO COc1cc(O)c(CN2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1OC ZINC000245601991 240256927 /nfs/dbraw/zinc/25/69/27/240256927.db2.gz WBIDLJIRXYDVNC-QGZVFWFLSA-N 1 0 342.439 2.898 10 10 EFCERO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H]2COC3(CCOCC3)O2)cc1 ZINC000245611183 240258104 /nfs/dbraw/zinc/25/81/04/240258104.db2.gz VOUSNGGAHBKDIQ-QAPCUYQASA-N 1 0 334.460 2.715 10 10 EFCERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000246128806 240265185 /nfs/dbraw/zinc/26/51/85/240265185.db2.gz ZIJNMAMUZYJPOA-MAUKXSAKSA-N 1 0 332.492 2.624 10 10 EFCERO COc1ccc(O)c(C[NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)c1 ZINC000366730436 242363711 /nfs/dbraw/zinc/36/37/11/242363711.db2.gz ZQUIFKMIUQAJEM-ZBFHGGJFSA-N 1 0 332.444 2.672 10 10 EFCERO Oc1ccccc1C[NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000368009290 242399941 /nfs/dbraw/zinc/39/99/41/242399941.db2.gz WIBSSPLCSHDODQ-MRXNPFEDSA-N 1 0 338.386 2.894 10 10 EFCERO CC[C@H]([NH2+]CCN1CCOCC1)c1cc(Br)ccc1O ZINC000019954527 212089783 /nfs/dbraw/zinc/08/97/83/212089783.db2.gz JSVDLRKQSWCJNW-AWEZNQCLSA-N 1 0 343.265 2.528 10 10 EFCERO COCCCNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000443861054 250229950 /nfs/dbraw/zinc/22/99/50/250229950.db2.gz RBDZQZUKLCFHOJ-UHFFFAOYSA-N 1 0 343.471 2.561 10 10 EFCERO Cc1ccsc1C(=O)NCc1ccc(N2CC[NH2+]CC2)c(F)c1 ZINC000095427896 218369732 /nfs/dbraw/zinc/36/97/32/218369732.db2.gz JLKKAAKDKHSWKK-UHFFFAOYSA-N 1 0 333.432 2.535 10 10 EFCERO Cc1cscc1C(=O)NCc1ccc(N2CC[NH2+]CC2)c(F)c1 ZINC000095427898 218370391 /nfs/dbraw/zinc/37/03/91/218370391.db2.gz IZVYYNYZVBAXTF-UHFFFAOYSA-N 1 0 333.432 2.535 10 10 EFCERO CN(C)c1ccc([C@H](CNC(=O)c2ccco2)[NH+]2CCCC2)cc1 ZINC000005098061 210390435 /nfs/dbraw/zinc/39/04/35/210390435.db2.gz FXAAXYFTTPOBPH-KRWDZBQOSA-N 1 0 327.428 2.913 10 10 EFCERO C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(N(C)C)c(F)c2)CC[N@@H+]1C ZINC000174443556 533584635 /nfs/dbraw/zinc/58/46/35/533584635.db2.gz PPGFSECGHMJZKY-HIFRSBDPSA-N 1 0 336.455 2.516 10 10 EFCERO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]Cc3ccsc3)cc2)C1 ZINC000054179230 132190185 /nfs/dbraw/zinc/19/01/85/132190185.db2.gz QKMXFBMEDIBLNI-MRXNPFEDSA-N 1 0 329.469 2.740 10 10 EFCERO C[N@@H+]1CC[C@@H](NC(=O)NCc2ccccc2O)[C@H]1c1ccccc1 ZINC000270254847 277136605 /nfs/dbraw/zinc/13/66/05/277136605.db2.gz BQNMYGCBOMJSPP-SJLPKXTDSA-N 1 0 325.412 2.637 10 10 EFCERO Oc1ccc(Br)cc1C[NH+]1CCC(n2cncn2)CC1 ZINC000092647528 472950293 /nfs/dbraw/zinc/95/02/93/472950293.db2.gz OGCBZKJPIHNIFC-UHFFFAOYSA-N 1 0 337.221 2.583 10 10 EFCERO CCc1noc([C@@H](C)N2CC[NH+](Cc3cc(C)c(C)cc3O)CC2)n1 ZINC000112071155 473241857 /nfs/dbraw/zinc/24/18/57/473241857.db2.gz MCSHTZZJSXZHHH-OAHLLOKOSA-N 1 0 344.459 2.833 10 10 EFCERO C[C@@H]([NH2+]CCCN1CCCC1=O)c1ccc(Br)cc1O ZINC000184889179 473265335 /nfs/dbraw/zinc/26/53/35/473265335.db2.gz CYOALFDRPFYZTE-LLVKDONJSA-N 1 0 341.249 2.818 10 10 EFCERO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000190430699 473271543 /nfs/dbraw/zinc/27/15/43/473271543.db2.gz BPWUYAGYPNFOEL-WMZOPIPTSA-N 1 0 327.428 2.848 10 10 EFCERO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)CN2CCc3ccccc3C2)c(O)c1 ZINC000184992226 473294443 /nfs/dbraw/zinc/29/44/43/473294443.db2.gz QXITWZQGZHGGRY-APWZRJJASA-N 1 0 340.467 2.770 10 10 EFCERO C[C@@H]([NH2+]C[C@H](O)CN1CCCCC1)c1cc2c(cc1O)CCCC2 ZINC000185115335 473333732 /nfs/dbraw/zinc/33/37/32/473333732.db2.gz UFEVKPCGIKRBJX-QAPCUYQASA-N 1 0 332.488 2.768 10 10 EFCERO CCn1cc([C@H]2OCC[C@@H]2C[NH2+]Cc2ccc3c(c2)CCO3)cn1 ZINC000083843518 473368172 /nfs/dbraw/zinc/36/81/72/473368172.db2.gz JZWPVZAKHBBEQP-APWZRJJASA-N 1 0 327.428 2.705 10 10 EFCERO C[C@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1ccccc1O ZINC000185279532 473384372 /nfs/dbraw/zinc/38/43/72/473384372.db2.gz DNKVWMRLGVIQDN-ZDUSSCGKSA-N 1 0 331.391 2.614 10 10 EFCERO CC[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1cc(Br)ccc1O ZINC000084060849 473385550 /nfs/dbraw/zinc/38/55/50/473385550.db2.gz SZOJEDCUXMRFDO-DGCLKSJQSA-N 1 0 341.249 2.816 10 10 EFCERO CC[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1cc(Br)ccc1O ZINC000084060852 473386010 /nfs/dbraw/zinc/38/60/10/473386010.db2.gz SZOJEDCUXMRFDO-AAEUAGOBSA-N 1 0 341.249 2.816 10 10 EFCERO CN(C)c1ccc(CNC(=O)[C@H]2CCCN(c3cc[nH+]cc3)C2)cc1 ZINC000021707307 472003148 /nfs/dbraw/zinc/00/31/48/472003148.db2.gz BRGKFQAZQDURMO-KRWDZBQOSA-N 1 0 338.455 2.680 10 10 EFCERO COc1ccc(N2CC[NH+](CCCOCC(F)(F)F)CC2)cc1 ZINC000053602572 472023271 /nfs/dbraw/zinc/02/32/71/472023271.db2.gz CAFPJPUTKCMKHY-UHFFFAOYSA-N 1 0 332.366 2.786 10 10 EFCERO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000076042660 472248243 /nfs/dbraw/zinc/24/82/43/472248243.db2.gz OWWKDEYEYPANDL-XLIONFOSSA-N 1 0 341.455 2.839 10 10 EFCERO CCc1nc2n(n1)C[C@H]([NH2+]Cc1ccc(N3CCCCC3)cc1)CC2 ZINC000069922043 472467139 /nfs/dbraw/zinc/46/71/39/472467139.db2.gz KMRUCCDKAOSXQL-QGZVFWFLSA-N 1 0 339.487 2.935 10 10 EFCERO Fc1cc(C[NH2+]C[C@H]2CCCn3ccnc32)ccc1N1CCOCC1 ZINC000089768334 472503307 /nfs/dbraw/zinc/50/33/07/472503307.db2.gz UAGNGOJOGCNOGG-MRXNPFEDSA-N 1 0 344.434 2.526 10 10 EFCERO C[C@@H]([NH2+]Cc1ccncc1)c1ccc(N2CCN(C)CC2)c(F)c1 ZINC000071825366 472574867 /nfs/dbraw/zinc/57/48/67/472574867.db2.gz JMKKIXUGDPNMEF-OAHLLOKOSA-N 1 0 328.435 2.823 10 10 EFCERO c1cc(N2CCCCC2)ccc1C[NH2+]C[C@@H]1CN(C2CC2)CCO1 ZINC000072268813 472642430 /nfs/dbraw/zinc/64/24/30/472642430.db2.gz USXSAGFINZTBPT-HXUWFJFHSA-N 1 0 329.488 2.630 10 10 EFCERO CCn1ncc2c1CCC[C@H]2[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000072298363 472657124 /nfs/dbraw/zinc/65/71/24/472657124.db2.gz HMQZCEVLKGZANP-LJQANCHMSA-N 1 0 340.471 2.907 10 10 EFCERO CCOc1ccc(O)c(C[NH+]2CCC(Nc3cccnn3)CC2)c1 ZINC000120324087 472669369 /nfs/dbraw/zinc/66/93/69/472669369.db2.gz TZBSEFBYNPDWFG-UHFFFAOYSA-N 1 0 328.416 2.657 10 10 EFCERO CN(C)c1ccc(C[N@H+](C)C2CCN(CCn3cccn3)CC2)cc1 ZINC000121188484 472812789 /nfs/dbraw/zinc/81/27/89/472812789.db2.gz IVOODOHHXANYJU-UHFFFAOYSA-N 1 0 341.503 2.546 10 10 EFCERO CN(C)c1ccc(CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)cc1 ZINC000106426908 472851153 /nfs/dbraw/zinc/85/11/53/472851153.db2.gz IYXUHVRXKSPSNT-IBGZPJMESA-N 1 0 325.456 2.542 10 10 EFCERO CN(C)c1ccc(CNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)cc1 ZINC000106426905 472851178 /nfs/dbraw/zinc/85/11/78/472851178.db2.gz IYXUHVRXKSPSNT-LJQANCHMSA-N 1 0 325.456 2.542 10 10 EFCERO CN(C)c1ccc(CNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)cc1F ZINC000106460903 472853353 /nfs/dbraw/zinc/85/33/53/472853353.db2.gz QLALDGLHFWCAHQ-LJQANCHMSA-N 1 0 343.446 2.681 10 10 EFCERO CCOc1cccc(C[NH+]2CCN(c3cccc(O)c3)CC2)c1O ZINC000121635655 472884273 /nfs/dbraw/zinc/88/42/73/472884273.db2.gz ASRIQIGRHMYVEX-UHFFFAOYSA-N 1 0 328.412 2.819 10 10 EFCERO COc1cccc(C[N@@H+]2CCC[C@@H](Cn3nc(C)nc3C)C2)c1O ZINC000121990151 472959395 /nfs/dbraw/zinc/95/93/95/472959395.db2.gz ZXEJJXZVTDTFAI-OAHLLOKOSA-N 1 0 330.432 2.521 10 10 EFCERO COc1cccc(C[N@@H+]2CCC[C@H](Cn3nc(C)nc3C)C2)c1O ZINC000121990445 472959470 /nfs/dbraw/zinc/95/94/70/472959470.db2.gz ZXEJJXZVTDTFAI-HNNXBMFYSA-N 1 0 330.432 2.521 10 10 EFCERO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](Cc3noc(C)n3)C2)c1 ZINC000092814235 472990736 /nfs/dbraw/zinc/99/07/36/472990736.db2.gz AVKRACKTYDOCFL-AWEZNQCLSA-N 1 0 331.416 2.937 10 10 EFCERO CCOc1cccc(C[N@@H+]2CCCN(Cc3cscn3)CC2)c1O ZINC000093016025 473025549 /nfs/dbraw/zinc/02/55/49/473025549.db2.gz AMODQZKSXQZCHH-UHFFFAOYSA-N 1 0 347.484 2.955 10 10 EFCERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000122806822 473060748 /nfs/dbraw/zinc/06/07/48/473060748.db2.gz URAQIMSVJMTWNW-AWEZNQCLSA-N 1 0 329.400 2.808 10 10 EFCERO COc1cccc(C[N@H+](C)[C@@H]2CCN(c3ccccc3F)C2=O)c1O ZINC000093385580 473097609 /nfs/dbraw/zinc/09/76/09/473097609.db2.gz YDDWHVMFQOJLGX-MRXNPFEDSA-N 1 0 344.386 2.777 10 10 EFCERO c1n[nH]cc1[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000093438148 473108393 /nfs/dbraw/zinc/10/83/93/473108393.db2.gz RDSJIJBFZUEQJE-IBGZPJMESA-N 1 0 326.444 2.974 10 10 EFCERO Oc1ccc(Br)cc1C[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000093479610 473111386 /nfs/dbraw/zinc/11/13/86/473111386.db2.gz KVDHXYNIOCXACM-YWXMQNBFSA-N 1 0 326.234 2.748 10 10 EFCERO c1cncc(O[C@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)c1 ZINC000093691049 473134601 /nfs/dbraw/zinc/13/46/01/473134601.db2.gz YIGKBFFCNUJKCC-FQEVSTJZSA-N 1 0 339.439 2.572 10 10 EFCERO c1cncc(O[C@@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)c1 ZINC000093691047 473134684 /nfs/dbraw/zinc/13/46/84/473134684.db2.gz YIGKBFFCNUJKCC-HXUWFJFHSA-N 1 0 339.439 2.572 10 10 EFCERO C[C@H]([NH2+]CCCN1CCOC1=O)c1cc(Br)ccc1O ZINC000185332425 473397029 /nfs/dbraw/zinc/39/70/29/473397029.db2.gz GGBKBHYKEBQVCH-JTQLQIEISA-N 1 0 343.221 2.648 10 10 EFCERO C[C@H]([NH2+][C@H]1CCCn2ncnc21)c1ccc(Br)cc1O ZINC000185663389 473481962 /nfs/dbraw/zinc/48/19/62/473481962.db2.gz RQCNLWBZQJSMHB-CABZTGNLSA-N 1 0 337.221 2.932 10 10 EFCERO Cn1cc(N2CCC[C@H]([NH2+]Cc3c([O-])ccc(Cl)c3F)C2)cn1 ZINC000191199934 473505455 /nfs/dbraw/zinc/50/54/55/473505455.db2.gz WHVQZJSOOPQBMT-NSHDSACASA-N 1 0 338.814 2.677 10 10 EFCERO CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2ccc(C)cc2O)ncn1 ZINC000185992690 473566647 /nfs/dbraw/zinc/56/66/47/473566647.db2.gz NRVDRJVGNNBAOU-CABCVRRESA-N 1 0 341.459 2.852 10 10 EFCERO CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2ccc(C)cc2O)ncn1 ZINC000185992754 473566840 /nfs/dbraw/zinc/56/68/40/473566840.db2.gz NRVDRJVGNNBAOU-LSDHHAIUSA-N 1 0 341.459 2.852 10 10 EFCERO c1cc(N2CCOCC2)ccc1CN1CCC([NH+]2CCCC2)CC1 ZINC000127725462 473644466 /nfs/dbraw/zinc/64/44/66/473644466.db2.gz ZZTGWPQDLLVUOA-UHFFFAOYSA-N 1 0 329.488 2.583 10 10 EFCERO Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3ccc(C)cc3O)C2=O)n(C)n1 ZINC000186327988 473650740 /nfs/dbraw/zinc/65/07/40/473650740.db2.gz PLIOZKMVQKYTKQ-GDBMZVCRSA-N 1 0 342.443 2.589 10 10 EFCERO CC[C@@H]([NH2+][C@H]1CCCN(c2cc(C)nn2C)C1=O)c1ccccc1O ZINC000186338444 473653832 /nfs/dbraw/zinc/65/38/32/473653832.db2.gz VCFASMSCFOTKKL-CVEARBPZSA-N 1 0 342.443 2.670 10 10 EFCERO CC[C@@H]([NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1=O)c1ccccc1O ZINC000186338412 473654206 /nfs/dbraw/zinc/65/42/06/473654206.db2.gz VCFASMSCFOTKKL-HZPDHXFCSA-N 1 0 342.443 2.670 10 10 EFCERO C[N@@H+](Cc1ccccc1O)C[C@H](c1cccs1)N1CCOCC1 ZINC000179572364 473695746 /nfs/dbraw/zinc/69/57/46/473695746.db2.gz WZWRIMGHFXWSPZ-MRXNPFEDSA-N 1 0 332.469 2.959 10 10 EFCERO CCCN(CCC)c1ccc(CN2CCO[C@H](CNC(C)=O)C2)cc1 ZINC000179716337 473712486 /nfs/dbraw/zinc/71/24/86/473712486.db2.gz ADFTVVDGJCMWTM-HXUWFJFHSA-N 1 0 347.503 2.650 10 10 EFCERO C[N@H+](Cc1cnn2ccccc12)Cc1ccc(N2CCOCC2)cc1 ZINC000179764289 473722007 /nfs/dbraw/zinc/72/20/07/473722007.db2.gz GFRBNXQARFKMLE-UHFFFAOYSA-N 1 0 336.439 2.803 10 10 EFCERO COc1cc(O)c(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)cc1OC ZINC000179986884 473771276 /nfs/dbraw/zinc/77/12/76/473771276.db2.gz GHMQVRXJJDMVLO-CQSZACIVSA-N 1 0 343.427 2.738 10 10 EFCERO C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cccc(Cl)c2[O-])CC1 ZINC000180094397 473796593 /nfs/dbraw/zinc/79/65/93/473796593.db2.gz QOLJFNUMYKINEX-ZDUSSCGKSA-N 1 0 326.868 2.570 10 10 EFCERO COc1cc(O)c(C[NH+]2CCC(Cc3nccn3C)CC2)cc1OC ZINC000180116126 473803231 /nfs/dbraw/zinc/80/32/31/473803231.db2.gz CQMZTSUPFCXLSE-UHFFFAOYSA-N 1 0 345.443 2.598 10 10 EFCERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](CC)c1ccc(N(C)C)cc1)CC2 ZINC000180621776 473922902 /nfs/dbraw/zinc/92/29/02/473922902.db2.gz DBJJOVWKUCQYFP-DOTOQJQBSA-N 1 0 327.476 2.962 10 10 EFCERO COC(=O)/C=C/c1ccc(N(C)CC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000264191302 473955772 /nfs/dbraw/zinc/95/57/72/473955772.db2.gz FKHIOPUIGNTHOK-FNORWQNLSA-N 1 0 347.415 2.559 10 10 EFCERO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(N3CCOCC3)n2)c1 ZINC000274812371 473970000 /nfs/dbraw/zinc/97/00/00/473970000.db2.gz VOOADLPDTYWZIC-OAHLLOKOSA-N 1 0 327.428 2.783 10 10 EFCERO C[N@@H+]1CC[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1c1ccccc1 ZINC000181268266 474020215 /nfs/dbraw/zinc/02/02/15/474020215.db2.gz WPAOROAGLAPMMS-RSJNPKLMSA-N 1 0 338.407 2.673 10 10 EFCERO C[C@H]([NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1)c1ccccc1O ZINC000282502659 474089818 /nfs/dbraw/zinc/08/98/18/474089818.db2.gz SAAKAWPXXWQPPX-HOTGVXAUSA-N 1 0 340.423 2.723 10 10 EFCERO C[C@H]([NH2+][C@@H]1CCN(C(=O)COc2ccccc2)C1)c1ccccc1O ZINC000282502669 474090454 /nfs/dbraw/zinc/09/04/54/474090454.db2.gz SAAKAWPXXWQPPX-JKSUJKDBSA-N 1 0 340.423 2.723 10 10 EFCERO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000183008654 474305152 /nfs/dbraw/zinc/30/51/52/474305152.db2.gz VLFGENWQAAEIOE-SFHVURJKSA-N 1 0 340.423 2.682 10 10 EFCERO COC(=O)CCCCC[NH2+]Cc1cc(Br)ccc1O ZINC000289690525 474378864 /nfs/dbraw/zinc/37/88/64/474378864.db2.gz FLVLDGKEGRIBJD-UHFFFAOYSA-N 1 0 330.222 2.978 10 10 EFCERO COC(=O)/C=C/c1ccc(N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000266287737 474428879 /nfs/dbraw/zinc/42/88/79/474428879.db2.gz VWGZVFRJHCPKCH-AQGQNPDFSA-N 1 0 347.415 2.700 10 10 EFCERO Cc1cc(Cl)cc(C[NH2+]CC2(S(C)(=O)=O)CCCC2)c1O ZINC000289969661 474508726 /nfs/dbraw/zinc/50/87/26/474508726.db2.gz ZIJBCCLQFGZSQV-UHFFFAOYSA-N 1 0 331.865 2.801 10 10 EFCERO Cc1cc(C(=O)CN2CC[C@@H](CO)C2)c(C)n1-c1ccc(F)cc1 ZINC000266888496 474518434 /nfs/dbraw/zinc/51/84/34/474518434.db2.gz BZFGGUUZRVAYSV-OAHLLOKOSA-N 1 0 330.403 2.730 10 10 EFCERO Cc1cc(N2CCC[C@H]([NH2+]Cc3ccc(N(C)C)c(F)c3)C2)n(C)n1 ZINC000277468530 474586634 /nfs/dbraw/zinc/58/66/34/474586634.db2.gz CBAAYCAYLQHGHY-INIZCTEOSA-N 1 0 345.466 2.692 10 10 EFCERO CN(C)c1ccc(CN(C(=O)CC2CC[NH+](C)CC2)C2CC2)cc1 ZINC000291400002 474602909 /nfs/dbraw/zinc/60/29/09/474602909.db2.gz DJQJOIBMCJKKEV-UHFFFAOYSA-N 1 0 329.488 2.976 10 10 EFCERO COc1c(O)c(CN2CCCC[C@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000278209929 474604005 /nfs/dbraw/zinc/60/40/05/474604005.db2.gz KCYRROUZURUXDF-HNNXBMFYSA-N 1 0 349.431 2.759 10 10 EFCERO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCN(c3cc(C)nn3C)C2)c1 ZINC000278338080 474614546 /nfs/dbraw/zinc/61/45/46/474614546.db2.gz CFLMTIHSJRXEON-HUUCEWRRSA-N 1 0 344.459 2.762 10 10 EFCERO Cn1ccnc1[C@H]([NH2+]Cc1ccc2c(c1)CCO2)C1CCOCC1 ZINC000284415219 474636055 /nfs/dbraw/zinc/63/60/55/474636055.db2.gz DJYXLNVGVBCBED-GOSISDBHSA-N 1 0 327.428 2.613 10 10 EFCERO COc1cc(Cl)cc(C[N@@H+]2C[C@]3(CCOC3)OC(C)(C)C2)c1O ZINC000280406317 475023382 /nfs/dbraw/zinc/02/33/82/475023382.db2.gz YFKJRMOUIJFJTA-KRWDZBQOSA-N 1 0 341.835 2.824 10 10 EFCERO C[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000268793602 475041322 /nfs/dbraw/zinc/04/13/22/475041322.db2.gz HBJOWBHOXNULIL-TWOQFEAHSA-N 1 0 329.488 2.657 10 10 EFCERO [O-]c1cc(F)c(Cl)cc1C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000293612673 475042813 /nfs/dbraw/zinc/04/28/13/475042813.db2.gz LXNIIODWEFYKLU-GFCCVEGCSA-N 1 0 342.842 2.775 10 10 EFCERO CN(C)CC[NH+]1CCC(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000293640261 475045278 /nfs/dbraw/zinc/04/52/78/475045278.db2.gz NVVULNIFBTVQPS-UHFFFAOYSA-N 1 0 343.874 2.548 10 10 EFCERO O=C([C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1)N1CCCC1 ZINC000293901346 475058518 /nfs/dbraw/zinc/05/85/18/475058518.db2.gz LAWKIMNKVYQEFF-LLVKDONJSA-N 1 0 326.799 2.629 10 10 EFCERO Oc1cc2c(cc1C[NH2+][C@@H]1CCO[C@@H](c3cccnc3)C1)OCO2 ZINC000294978198 475094781 /nfs/dbraw/zinc/09/47/81/475094781.db2.gz JNQWBMITCXFMFU-GDBMZVCRSA-N 1 0 328.368 2.526 10 10 EFCERO CC[C@@H]([NH2+]Cc1cc(Br)cc(C)c1O)[C@H](O)C(F)F ZINC000295111210 475104261 /nfs/dbraw/zinc/10/42/61/475104261.db2.gz VATRAAOQWVWMFN-PWSUYJOCSA-N 1 0 338.192 2.957 10 10 EFCERO COc1cc(O)c(C[N@@H+]2CCCC[C@@H]2c2ccnn2C)cc1OC ZINC000281333230 475174410 /nfs/dbraw/zinc/17/44/10/475174410.db2.gz SAUURNPBTPWQGB-OAHLLOKOSA-N 1 0 331.416 2.870 10 10 EFCERO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000373736449 476424180 /nfs/dbraw/zinc/42/41/80/476424180.db2.gz BAPMLDJVCLDKMQ-KDDOJWQBSA-N 1 0 329.227 2.785 10 10 EFCERO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c1 ZINC000378373426 476703014 /nfs/dbraw/zinc/70/30/14/476703014.db2.gz CVHNKINRLCDPEW-APWZRJJASA-N 1 0 345.443 2.613 10 10 EFCERO COc1cc(O)c(C[N@@H+]2CCC[C@H](c3ccncn3)C2)cc1OC ZINC000378439695 476709454 /nfs/dbraw/zinc/70/94/54/476709454.db2.gz TUOYLCLXVZJCET-ZDUSSCGKSA-N 1 0 329.400 2.579 10 10 EFCERO OC1CCN(c2ccc(C[NH2+][C@H]3CCCc4n[nH]cc43)cc2F)CC1 ZINC000375788057 477006496 /nfs/dbraw/zinc/00/64/96/477006496.db2.gz QHGZRAVWXXCVLW-KRWDZBQOSA-N 1 0 344.434 2.677 10 10 EFCERO COC(=O)[C@]12C[N@H+](Cc3c(O)ccc4ccccc43)C[C@H]1COCC2 ZINC000376016188 477131223 /nfs/dbraw/zinc/13/12/23/477131223.db2.gz VYHQQMIVOPPHNF-MGPUTAFESA-N 1 0 341.407 2.557 10 10 EFCERO Cc1cncc(/C=C/C(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)c1 ZINC000372095859 477638364 /nfs/dbraw/zinc/63/83/64/477638364.db2.gz QDLDQDRBCMOONX-IJDCCNJMSA-N 1 0 337.423 2.759 10 10 EFCERO COCC[C@H]1CCCC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000372104453 477642609 /nfs/dbraw/zinc/64/26/09/477642609.db2.gz YDAGFHNJPFFWBQ-GOSISDBHSA-N 1 0 347.503 2.507 10 10 EFCERO Cc1cc(Br)cc(CN[C@@H]2CC[NH2+]C23CCC3)c1O ZINC000530179731 477878142 /nfs/dbraw/zinc/87/81/42/477878142.db2.gz WBBKDWMNXUYQPI-CYBMUJFWSA-N 1 0 325.250 2.837 10 10 EFCERO Cc1cc(Br)c(O)c(CN[C@H]2CC[NH2+]C23CCC3)c1 ZINC000530179424 477878110 /nfs/dbraw/zinc/87/81/10/477878110.db2.gz UWOQAOIVTZUAIY-ZDUSSCGKSA-N 1 0 325.250 2.837 10 10 EFCERO CCOc1ccc(O)c(C[NH2+]C[C@H]2c3ccccc3C(=O)N2C)c1 ZINC000527805114 478526615 /nfs/dbraw/zinc/52/66/15/478526615.db2.gz IGMXSZAPXFRQTQ-KRWDZBQOSA-N 1 0 326.396 2.707 10 10 EFCERO CCOCc1cc(C[NH2+]CC(C)(C)C(=O)N2CCCC2)ccc1OC ZINC000527812553 478533083 /nfs/dbraw/zinc/53/30/83/478533083.db2.gz VSYZVNMNAOVIIP-UHFFFAOYSA-N 1 0 348.487 2.970 10 10 EFCERO Cn1cncc1[C@H]1[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)CCCN1C ZINC000583616622 478893627 /nfs/dbraw/zinc/89/36/27/478893627.db2.gz RRBJFBFOVCWYOX-FXAWDEMLSA-N 1 0 340.471 2.528 10 10 EFCERO COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CC[NH2+]C[C@H]3C)ccc21 ZINC000565151923 478926515 /nfs/dbraw/zinc/92/65/15/478926515.db2.gz SFHQGFJPDQOKBB-ACJLOTCBSA-N 1 0 343.471 2.632 10 10 EFCERO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000566296984 479090167 /nfs/dbraw/zinc/09/01/67/479090167.db2.gz JSQQCXOENUPOHM-HOTGVXAUSA-N 1 0 331.460 2.776 10 10 EFCERO COc1cc(O)c(C[NH2+]C[C@]2(C)COc3ccccc3O2)cc1OC ZINC000529638064 479232950 /nfs/dbraw/zinc/23/29/50/479232950.db2.gz XRKYMMAQAOAYBI-LJQANCHMSA-N 1 0 345.395 2.729 10 10 EFCERO Cc1noc(CC[NH2+][C@@H](C)c2cc(Br)ccc2O)n1 ZINC000185971832 534404929 /nfs/dbraw/zinc/40/49/29/534404929.db2.gz GFTTWCJZMLINKG-QMMMGPOBSA-N 1 0 326.194 2.739 10 10 EFCERO CC[N@H+](CC(=O)NC(C)(C)C)Cc1cc(Br)ccc1O ZINC000174426260 527902033 /nfs/dbraw/zinc/90/20/33/527902033.db2.gz RZYOCYJPECWUCV-UHFFFAOYSA-N 1 0 343.265 2.891 10 10 EFCERO CC1CCN(c2ccc(C[NH2+]C3CCN(C(N)=O)CC3)cc2)CC1 ZINC000157494819 528266880 /nfs/dbraw/zinc/26/68/80/528266880.db2.gz REFMSRDLQSMAOZ-UHFFFAOYSA-N 1 0 330.476 2.556 10 10 EFCERO CC[C@@H]([NH2+][C@@H](C)Cn1cncn1)c1cc(Br)ccc1O ZINC000155434512 529199890 /nfs/dbraw/zinc/19/98/90/529199890.db2.gz SNRXRUMQHJZVJH-GXFFZTMASA-N 1 0 339.237 2.876 10 10 EFCERO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCN(C3CCOCC3)C2=O)cc1 ZINC000367412411 535765575 /nfs/dbraw/zinc/76/55/75/535765575.db2.gz JHXVDIJEPHKAQF-KXBFYZLASA-N 1 0 345.487 2.573 10 10 EFCERO COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3CCC[C@@H]3C[NH3+])c2C)cc1 ZINC000237507193 536552356 /nfs/dbraw/zinc/55/23/56/536552356.db2.gz ZFBNACRVUNMWLO-DNVCBOLYSA-N 1 0 341.455 2.960 10 10 EFCERO COCCN(C)C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435535274 536762908 /nfs/dbraw/zinc/76/29/08/536762908.db2.gz DPYPDWYXLMHOFW-UHFFFAOYSA-N 1 0 343.471 2.513 10 10 EFCERO CCCN(CCC)c1ccc(C[NH2+]C[C@@H](C)S(C)(=O)=O)cc1 ZINC000754085910 575387720 /nfs/dbraw/zinc/38/77/20/575387720.db2.gz RVUNYTNFRLEWAK-OAHLLOKOSA-N 1 0 326.506 2.836 10 10 EFCERO COc1cc(C)cc(C[NH+]2CCN(c3nc(C)cs3)CC2)c1O ZINC000754727330 575478396 /nfs/dbraw/zinc/47/83/96/575478396.db2.gz XJVPXQUUCWHVCU-UHFFFAOYSA-N 1 0 333.457 2.796 10 10 EFCERO C[C@H]([NH2+]CC[C@H](C)[S@@](C)=O)c1ccc(Br)cc1O ZINC000756760914 575784729 /nfs/dbraw/zinc/78/47/29/575784729.db2.gz KSGXZTOQNCFQLL-LXIMFEHMSA-N 1 0 334.279 2.962 10 10 EFCERO C[C@@H]1C[C@H]([NH2+]CCC2CCS(=O)(=O)CC2)c2c1c(F)ccc2O ZINC000756778955 575786210 /nfs/dbraw/zinc/78/62/10/575786210.db2.gz HCDQSTXLHBRVFS-RISCZKNCSA-N 1 0 341.448 2.884 10 10 EFCERO CC(C)Oc1ccc(N(C)CC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000759932334 575957535 /nfs/dbraw/zinc/95/75/35/575957535.db2.gz CECIBSTYGNZSEX-UHFFFAOYSA-N 1 0 345.487 2.653 10 10 EFCERO C[C@@H]([NH2+]CCc1ccn(C)n1)c1ccc(N2CCOCC2)cc1Cl ZINC000760896337 576085864 /nfs/dbraw/zinc/08/58/64/576085864.db2.gz KITOMODDTWGAGO-CQSZACIVSA-N 1 0 348.878 2.803 10 10 EFCERO COc1ccc(N2CCN(CC[NH2+][C@@H](C)C3CCCC3)CC2)cc1 ZINC000765400444 577038566 /nfs/dbraw/zinc/03/85/66/577038566.db2.gz DOADSMHSGGZPEA-KRWDZBQOSA-N 1 0 331.504 2.986 10 10 EFCERO CCCNC(=S)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768296266 577264841 /nfs/dbraw/zinc/26/48/41/577264841.db2.gz MRPTYYBDTMQVPS-UHFFFAOYSA-N 1 0 346.544 2.593 10 10 EFCERO Oc1cc2c(cc1C[NH+]1CCC(c3ccccn3)CC1)[C@@H](O)CO2 ZINC000768463293 577275866 /nfs/dbraw/zinc/27/58/66/577275866.db2.gz RDINUNFWAHSMNE-SFHVURJKSA-N 1 0 326.396 2.593 10 10 EFCERO Oc1cc2c(cc1C[N@H+](C[C@@H]1CCCO1)C1CCCC1)[C@H](O)CO2 ZINC000768465810 577276300 /nfs/dbraw/zinc/27/63/00/577276300.db2.gz LYHWDUNZCNUMLX-MAUKXSAKSA-N 1 0 333.428 2.742 10 10 EFCERO c1cc(N2CCOCC2)ccc1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000769330885 577352654 /nfs/dbraw/zinc/35/26/54/577352654.db2.gz RKPQZSCPLKCYCX-FQEVSTJZSA-N 1 0 329.488 2.583 10 10 EFCERO COc1cccc(O)c1C[NH+]1CCN(c2ccc(F)cc2OC)CC1 ZINC000769425991 577361757 /nfs/dbraw/zinc/36/17/57/577361757.db2.gz ATMZBLRZKPAKMQ-UHFFFAOYSA-N 1 0 346.402 2.871 10 10 EFCERO C[N@@H+](Cc1cc(-c2ccccc2)ccc1O)C[C@H]1CCS(=O)(=O)C1 ZINC000769468435 577364717 /nfs/dbraw/zinc/36/47/17/577364717.db2.gz HWAJFRSFEDGWDC-OAHLLOKOSA-N 1 0 345.464 2.926 10 10 EFCERO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000769487488 577366413 /nfs/dbraw/zinc/36/64/13/577366413.db2.gz XIFDDFJBNZMGDG-FQEVSTJZSA-N 1 0 330.472 2.916 10 10 EFCERO CC(C)(C)c1cc(C[N@H+]2C[C@H](O)C[C@H](O)C2)c(O)c(C(C)(C)C)c1 ZINC000769563190 577372677 /nfs/dbraw/zinc/37/26/77/577372677.db2.gz HAHUXNBRAFTRAE-IYBDPMFKSA-N 1 0 335.488 2.915 10 10 EFCERO CO[C@H](C)COC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000769665150 577377585 /nfs/dbraw/zinc/37/75/85/577377585.db2.gz QMLFBVJYGCZDOC-OAHLLOKOSA-N 1 0 344.455 2.986 10 10 EFCERO COC(=O)c1cnc(/C=C/c2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000771527563 581220529 /nfs/dbraw/zinc/22/05/29/581220529.db2.gz SCEYTMDFXODMTR-VMPITWQZSA-N 1 0 343.452 2.852 10 10 EFCERO COC(=O)c1cc2ccccc2c(C[N@@H+]2CCCOC[C@H]2C)c1O ZINC000772823212 581372326 /nfs/dbraw/zinc/37/23/26/581372326.db2.gz JKYMTDAGHHJNGU-CYBMUJFWSA-N 1 0 329.396 2.943 10 10 EFCERO COC(=O)c1cc2ccccc2c(C[N@@H+]2CCCOC[C@@H]2C)c1O ZINC000772823213 581372334 /nfs/dbraw/zinc/37/23/34/581372334.db2.gz JKYMTDAGHHJNGU-ZDUSSCGKSA-N 1 0 329.396 2.943 10 10 EFCERO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(N(C)CC)cc1 ZINC000773853140 581469769 /nfs/dbraw/zinc/46/97/69/581469769.db2.gz YCKJZVBKNGBYDT-ZWKOTPCHSA-N 1 0 334.460 2.685 10 10 EFCERO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000774681196 581497573 /nfs/dbraw/zinc/49/75/73/581497573.db2.gz ZNGKKHRCUQDICV-ZWKOTPCHSA-N 1 0 347.455 2.814 10 10 EFCERO CCc1nnc(N(C)Cc2ccccc2O)n1CC(C)(C)C[NH+](C)C ZINC001709038699 1248816377 /nfs/dbraw/zinc/81/63/77/1248816377.db2.gz NKZMRIGXVDANIX-UHFFFAOYSA-N 1 0 345.491 2.770 10 10 EFCERO C[C@@H]1C[C@H]([NH2+]CC[S@@](=O)CC(F)(F)F)c2c1c(F)ccc2O ZINC000850495887 1250509130 /nfs/dbraw/zinc/50/91/30/1250509130.db2.gz KJNDIDOIDLRVFL-NXMVVUFDSA-N 1 0 339.354 2.980 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H](C)c2ccco2)cc1C ZINC001691473492 1249195675 /nfs/dbraw/zinc/19/56/75/1249195675.db2.gz CNTNAKFDIGUACO-HNNXBMFYSA-N 1 0 330.428 2.948 10 10 EFCERO COc1cc(C[NH2+]C2CCC(C(N)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000850136760 1250308271 /nfs/dbraw/zinc/30/82/71/1250308271.db2.gz CKUQWKJYUXAWSE-UHFFFAOYSA-N 1 0 334.460 2.832 10 10 EFCERO CC[C@H](C)OCC(=O)N1CC[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001690703909 1248115605 /nfs/dbraw/zinc/11/56/05/1248115605.db2.gz FKAPXXHCRFILTD-FUHWJXTLSA-N 1 0 348.487 2.757 10 10 EFCERO CC[C@@H](C)OCC(=O)N1CC[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001690703910 1248116366 /nfs/dbraw/zinc/11/63/66/1248116366.db2.gz FKAPXXHCRFILTD-SJLPKXTDSA-N 1 0 348.487 2.757 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)C(=O)C(C)(C)C)C2)cc1C ZINC001691087642 1248387985 /nfs/dbraw/zinc/38/79/85/1248387985.db2.gz XMSDVDRNRLVLCN-IYBDPMFKSA-N 1 0 346.471 2.603 10 10 EFCERO CC(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001691128882 1248450566 /nfs/dbraw/zinc/45/05/66/1248450566.db2.gz XQQOJHSBOMPJHP-AKAXFMLLSA-N 1 0 345.447 2.993 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)c2cc(C)sn2)cc1C ZINC001691304030 1248634497 /nfs/dbraw/zinc/63/44/97/1248634497.db2.gz OWGHVDFWIZIKCY-UHFFFAOYSA-N 1 0 333.457 2.630 10 10 EFCERO C[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccccn1 ZINC000850341305 1250437128 /nfs/dbraw/zinc/43/71/28/1250437128.db2.gz GJMFNVARIUAKEL-HNNXBMFYSA-N 1 0 329.419 2.951 10 10 EFCERO CCN(C)c1ccc(C[NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)cn1 ZINC000850346520 1250440779 /nfs/dbraw/zinc/44/07/79/1250440779.db2.gz GSCDVJVODKFGCR-QGZVFWFLSA-N 1 0 340.471 2.915 10 10 EFCERO CN(C)c1ccc(/C=C/C[NH2+]CCC2(CS(C)(=O)=O)CC2)cc1 ZINC000850345384 1250442594 /nfs/dbraw/zinc/44/25/94/1250442594.db2.gz XUWHUMSHUIYWHJ-SNAWJCMRSA-N 1 0 336.501 2.570 10 10 EFCERO CN(C)c1ccc(C[NH2+][C@H]2Cc3ccccc3N(C)C2=O)cc1F ZINC000850352871 1250445345 /nfs/dbraw/zinc/44/53/45/1250445345.db2.gz KULOHNLYWDTLOH-INIZCTEOSA-N 1 0 327.403 2.569 10 10 EFCERO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)CS1(=O)=O ZINC000850367649 1250450796 /nfs/dbraw/zinc/45/07/96/1250450796.db2.gz BFOHOKLCZRAKKP-NVXWUHKLSA-N 1 0 336.501 2.732 10 10 EFCERO COc1cc(Br)cc(C[NH2+][C@H]2C[C@H](O)C23CCC3)c1O ZINC000850387863 1250459078 /nfs/dbraw/zinc/45/90/78/1250459078.db2.gz BQPZFKGAIUERDB-STQMWFEESA-N 1 0 342.233 2.556 10 10 EFCERO COc1ccc(C[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)cc1C ZINC000850396280 1250465616 /nfs/dbraw/zinc/46/56/16/1250465616.db2.gz SPMNPZAGZJYANI-RTBURBONSA-N 1 0 330.472 2.737 10 10 EFCERO CC[C@H]1C[C@H](C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCO1 ZINC000850406336 1250470100 /nfs/dbraw/zinc/47/01/00/1250470100.db2.gz CCOKXFNHQIOWHS-XLIONFOSSA-N 1 0 332.488 2.943 10 10 EFCERO OCC1CCN(c2ccc(C[NH2+][C@H]3COC4(CCC4)C3)cc2)CC1 ZINC000850426188 1250481680 /nfs/dbraw/zinc/48/16/80/1250481680.db2.gz BDNZXUTVVWQBFI-GOSISDBHSA-N 1 0 330.472 2.697 10 10 EFCERO C[C@@H]1C[C@H]([NH2+]CCC2(CS(C)(=O)=O)CC2)c2c1c(F)ccc2O ZINC000850485901 1250502288 /nfs/dbraw/zinc/50/22/88/1250502288.db2.gz OUDQXPQUBKCNFD-YPMHNXCESA-N 1 0 341.448 2.884 10 10 EFCERO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)Cc3ccc(OC)nc3)C2)cc1 ZINC000850487827 1250504619 /nfs/dbraw/zinc/50/46/19/1250504619.db2.gz PLCYSTGYHRHXFR-DOTOQJQBSA-N 1 0 341.455 2.898 10 10 EFCERO C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000850502023 1250514004 /nfs/dbraw/zinc/51/40/04/1250514004.db2.gz RJORWPGAPMRNFF-STQMWFEESA-N 1 0 329.435 2.593 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)C2(CO)CC2)c1O ZINC000850516927 1250517099 /nfs/dbraw/zinc/51/70/99/1250517099.db2.gz ZOPLCIYIAHPTQC-ZJUUUORDSA-N 1 0 344.249 2.975 10 10 EFCERO Cc1cc(C)c([C@@H](C)[NH2+]CCS(=O)(=O)CC(F)(F)F)c(O)c1 ZINC000850518012 1250519944 /nfs/dbraw/zinc/51/99/44/1250519944.db2.gz INJQEKPRMOQQAZ-LLVKDONJSA-N 1 0 339.379 2.637 10 10 EFCERO CCS(=O)(=O)C1(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)CC1 ZINC000850555440 1250532448 /nfs/dbraw/zinc/53/24/48/1250532448.db2.gz INVQPLMMMCQDMD-NSHDSACASA-N 1 0 331.865 2.972 10 10 EFCERO C[C@@H]1C[C@H]([NH2+]CCN2C[C@H]3CCCCN3C2=O)c2c1c(F)ccc2O ZINC000850561651 1250538214 /nfs/dbraw/zinc/53/82/14/1250538214.db2.gz KOSYJFIWFOCSCH-NFAWXSAZSA-N 1 0 347.434 2.959 10 10 EFCERO CC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccn(C)n1 ZINC000850567626 1250540544 /nfs/dbraw/zinc/54/05/44/1250540544.db2.gz HSMKEJFTVXEGKB-SFHVURJKSA-N 1 0 328.460 2.622 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2C[C@]2(C)OC)c1O ZINC000850571138 1250540737 /nfs/dbraw/zinc/54/07/37/1250540737.db2.gz NCEJXLWLEJHJTQ-RGZBUGHASA-N 1 0 330.222 2.991 10 10 EFCERO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000921583762 1257506001 /nfs/dbraw/zinc/50/60/01/1257506001.db2.gz ZZYIDSQTFVSTRT-GUDVDZBRSA-N 1 0 330.472 2.818 10 10 EFCERO Oc1ccc(Br)cc1CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000843128407 1261188222 /nfs/dbraw/zinc/18/82/22/1261188222.db2.gz LCNFMRYOIGXFAH-CQSZACIVSA-N 1 0 325.250 2.919 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2c(C)noc2C)cc1C ZINC001485843878 1262445863 /nfs/dbraw/zinc/44/58/63/1262445863.db2.gz DHHLWBDUMVVKGX-ZDUSSCGKSA-N 1 0 345.443 2.859 10 10 EFCERO CC(C)C[NH2+]C[C@H]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001486223065 1262830310 /nfs/dbraw/zinc/83/03/10/1262830310.db2.gz XGURHNACMNDKFJ-XJKSGUPXSA-N 1 0 345.447 2.993 10 10 EFCERO COc1ccc(N2CC[C@H](C[NH2+]Cc3c4c(nn3C)CCC4)C2)cc1 ZINC000922197465 1264863129 /nfs/dbraw/zinc/86/31/29/1264863129.db2.gz UNPIUZZZSNPXMB-OAHLLOKOSA-N 1 0 340.471 2.534 10 10 EFCERO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nc(Br)c[nH]2)c1 ZINC000922217649 1265012100 /nfs/dbraw/zinc/01/21/00/1265012100.db2.gz UDFFXQPCBKLLKP-MRVPVSSYSA-N 1 0 326.194 2.737 10 10 EFCERO Cc1ncc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cn1 ZINC000733334670 1265174513 /nfs/dbraw/zinc/17/45/13/1265174513.db2.gz OZFHIKSDDQJCIN-KRWDZBQOSA-N 1 0 346.862 2.898 10 10 EFCERO [NH3+]C[C@@H](C(=O)NCCCSc1nccs1)c1ccc(F)cc1 ZINC000829528229 1278251937 /nfs/dbraw/zinc/25/19/37/1278251937.db2.gz MXSQFTBBYBHIGN-CYBMUJFWSA-N 1 0 339.461 2.623 10 10 EFCERO CCOCc1cc(C[NH2+]C[C@]2(OC(C)C)CCOC2)ccc1OC ZINC000922612148 1266458857 /nfs/dbraw/zinc/45/88/57/1266458857.db2.gz XGQDZJAKEQQWBW-LJQANCHMSA-N 1 0 337.460 2.905 10 10 EFCERO O=C1C[C@@H](CC[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)CN1 ZINC000922779137 1266771147 /nfs/dbraw/zinc/77/11/47/1266771147.db2.gz RBILYWOOMUAHBY-LJQANCHMSA-N 1 0 349.478 2.865 10 10 EFCERO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c1O ZINC000825124399 1278420904 /nfs/dbraw/zinc/42/09/04/1278420904.db2.gz PFDJFQHOERBSFD-AMIZOPFISA-N 1 0 339.741 2.799 10 10 EFCERO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)c1O ZINC000825124401 1278421553 /nfs/dbraw/zinc/42/15/53/1278421553.db2.gz PFDJFQHOERBSFD-OQPBUACISA-N 1 0 339.741 2.799 10 10 EFCERO C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000825130401 1278424730 /nfs/dbraw/zinc/42/47/30/1278424730.db2.gz XJOYTEHXFQERTC-LRDDRELGSA-N 1 0 346.393 2.743 10 10 EFCERO C[C@@](CO)([NH2+]Cc1ccc(N2CCOCC2)cc1)C1CCCCC1 ZINC000740014857 1268834906 /nfs/dbraw/zinc/83/49/06/1268834906.db2.gz WUDXQQHWVMDOMW-FQEVSTJZSA-N 1 0 332.488 2.944 10 10 EFCERO Oc1cc(Br)ccc1C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000825239965 1278481800 /nfs/dbraw/zinc/48/18/00/1278481800.db2.gz BAHPTURSSPGVRA-HNNXBMFYSA-N 1 0 336.229 2.848 10 10 EFCERO CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CO[C@H](C4CC4)C3)cc2F)CC1 ZINC000825234866 1278478618 /nfs/dbraw/zinc/47/86/18/1278478618.db2.gz ZILSQKQYCGIHEZ-PXNSSMCTSA-N 1 0 347.478 2.625 10 10 EFCERO OC1CCN(c2ccc(C[NH2+][C@H](C3CC3)[C@H]3CCCOC3)cc2)CC1 ZINC000922895974 1272733322 /nfs/dbraw/zinc/73/33/22/1272733322.db2.gz MMKOEHDJTXEUNI-GHTZIAJQSA-N 1 0 344.499 2.943 10 10 EFCERO CN1CCCc2cc(CNC(=O)[C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)ccc21 ZINC000844177649 1278781477 /nfs/dbraw/zinc/78/14/77/1278781477.db2.gz PAZNVOFIMRTEJS-NJAFHUGGSA-N 1 0 327.472 2.606 10 10 EFCERO CC1(C)C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CC2(CCCC2)O1 ZINC000785520369 1275107900 /nfs/dbraw/zinc/10/79/00/1275107900.db2.gz WQKXYJNZYPWCIG-INIZCTEOSA-N 1 0 333.428 2.742 10 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/nfs/dbraw/zinc/39/70/91/1276397091.db2.gz BSRRCOPWCDOJIJ-UWVGGRQHSA-N 1 0 331.229 2.944 10 10 EFCERO C[C@H](N[C@H]1C[NH2+]CCC1(F)F)c1ccc(Br)cc1O ZINC000817980991 1276420658 /nfs/dbraw/zinc/42/06/58/1276420658.db2.gz ORUSBTSSKQNTIH-UFBFGSQYSA-N 1 0 335.192 2.803 10 10 EFCERO C[C@H](N[C@H]1CCCC[NH2+]C1)c1ccc(N2CCOCC2)cc1Cl ZINC000817984607 1276422425 /nfs/dbraw/zinc/42/24/25/1276422425.db2.gz VMCOAQLTSWYEMX-GJZGRUSLSA-N 1 0 337.895 2.969 10 10 EFCERO CC[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)c1ccc(C(F)(F)F)cc1O ZINC000818362642 1276520309 /nfs/dbraw/zinc/52/03/09/1276520309.db2.gz ZHSWXCCNQSQWJO-NWDGAFQWSA-N 1 0 344.333 2.599 10 10 EFCERO O[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)CC1CCCC1 ZINC000818966725 1276553374 /nfs/dbraw/zinc/55/33/74/1276553374.db2.gz NRZIKINPNIISLS-QGZVFWFLSA-N 1 0 336.451 2.693 10 10 EFCERO O[C@H](C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)C1CC1 ZINC000819003734 1276569107 /nfs/dbraw/zinc/56/91/07/1276569107.db2.gz YLULSBZSENPRKB-MRXNPFEDSA-N 1 0 326.387 2.617 10 10 EFCERO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C[C@H](O)c1ccc(F)cn1 ZINC000819377555 1276762319 /nfs/dbraw/zinc/76/23/19/1276762319.db2.gz SUAXDQCECXFSEA-LIRRHRJNSA-N 1 0 331.435 2.849 10 10 EFCERO CCOc1ccc(C[N@H+](C)C2CCN(c3cnccn3)CC2)c(O)c1 ZINC000789769576 1276976236 /nfs/dbraw/zinc/97/62/36/1276976236.db2.gz KUZPJCOYMPTWAE-UHFFFAOYSA-N 1 0 342.443 2.682 10 10 EFCERO CC[NH+]1CCN(c2ccccc2NC(=O)C2=CC(=O)CS2)CC1 ZINC000820484718 1277194505 /nfs/dbraw/zinc/19/45/05/1277194505.db2.gz ZYSQGWLRPBXLKQ-UHFFFAOYSA-N 1 0 331.441 2.848 10 10 EFCERO COc1ccc(N2CC[NH+](CCCNc3ncc(C)o3)CC2)cc1 ZINC000820611490 1277242836 /nfs/dbraw/zinc/24/28/36/1277242836.db2.gz WKBMXXZPAWUFGZ-UHFFFAOYSA-N 1 0 330.432 2.616 10 10 EFCERO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001136379345 1277327223 /nfs/dbraw/zinc/32/72/23/1277327223.db2.gz XOZCFEQMMLHTMD-MJBXVCDLSA-N 1 0 345.447 2.945 10 10 EFCERO CCN(CC)c1ccc(C[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)cc1F ZINC000790618888 1277700342 /nfs/dbraw/zinc/70/03/42/1277700342.db2.gz JPCPZGFATXZGHI-MAUKXSAKSA-N 1 0 340.483 2.920 10 10 EFCERO COc1cccc(O)c1C[NH2+]C[C@@H](CO)Cc1ccc(F)c(F)c1 ZINC000791004532 1277902376 /nfs/dbraw/zinc/90/23/76/1277902376.db2.gz LREBKTZZAIJITD-ZDUSSCGKSA-N 1 0 337.366 2.620 10 10 EFCERO OC[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)Cc1ccc(F)c(F)c1 ZINC000791005204 1277902979 /nfs/dbraw/zinc/90/29/79/1277902979.db2.gz QFXCXPILAAILNI-OAHLLOKOSA-N 1 0 333.378 2.841 10 10 EFCERO CCN(C)c1ccc(C[N@@H+]2CCC[C@H](c3ccnc(N)n3)C2)cc1 ZINC000815104383 1287326680 /nfs/dbraw/zinc/32/66/80/1287326680.db2.gz JGFDXFNHPXYMMV-INIZCTEOSA-N 1 0 325.460 2.895 10 10 EFCERO Cc1cc(C[NH+]2CCC(Oc3cnccn3)CC2)ccc1N(C)C ZINC000815104820 1287326714 /nfs/dbraw/zinc/32/67/14/1287326714.db2.gz WBBMTQIDHJNCHO-UHFFFAOYSA-N 1 0 326.444 2.894 10 10 EFCERO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CCc2ccccc21 ZINC000844742230 1279211009 /nfs/dbraw/zinc/21/10/09/1279211009.db2.gz NTKMLANUTDKECB-YJYMSZOUSA-N 1 0 325.408 2.980 10 10 EFCERO O=[S@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1cc2oc3ccccc3c2cc1O ZINC000844742317 1279211797 /nfs/dbraw/zinc/21/17/97/1279211797.db2.gz SYBOBVOGQPBHOB-XCMOZONUSA-N 1 0 327.405 2.997 10 10 EFCERO CN(C)c1ccc(C[NH2+]C2CCC(C(N)=O)CC2)c(C(F)(F)F)c1 ZINC000792979709 1279296181 /nfs/dbraw/zinc/29/61/81/1279296181.db2.gz KXGUOTFIAXYENH-UHFFFAOYSA-N 1 0 343.393 2.905 10 10 EFCERO Fc1cc(C[NH2+][C@@H]2CNc3ccccc3C2)ccc1N1CCOCC1 ZINC000844904635 1279325870 /nfs/dbraw/zinc/32/58/70/1279325870.db2.gz ALAIWGIDSMZENI-KRWDZBQOSA-N 1 0 341.430 2.789 10 10 EFCERO Oc1ccccc1CN1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000846049981 1280000188 /nfs/dbraw/zinc/00/01/88/1280000188.db2.gz YHHNAZVOUQQKPU-CTNGQTDRSA-N 1 0 338.451 2.868 10 10 EFCERO Oc1ccccc1CN1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000846049984 1280000886 /nfs/dbraw/zinc/00/08/86/1280000886.db2.gz YHHNAZVOUQQKPU-PZJWPPBQSA-N 1 0 338.451 2.868 10 10 EFCERO c1cc(N2CCOCC2)ccc1C[NH2+][C@H](C1CC1)C1CCOCC1 ZINC000846046221 1280000955 /nfs/dbraw/zinc/00/09/55/1280000955.db2.gz YVGVMEFXFSNERS-HXUWFJFHSA-N 1 0 330.472 2.818 10 10 EFCERO COc1cccc([C@@H](C)[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)c1O ZINC000846171386 1280047696 /nfs/dbraw/zinc/04/76/96/1280047696.db2.gz SBNKYYWZDPWSTA-CHWSQXEVSA-N 1 0 347.436 2.623 10 10 EFCERO COc1cccc([C@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)N(C)C)c1O ZINC000846142785 1280050797 /nfs/dbraw/zinc/05/07/97/1280050797.db2.gz BBJVNBLZYUADEC-YOEHRIQHSA-N 1 0 342.439 2.751 10 10 EFCERO COc1cccc([C@H](C)[NH2+][C@@H]2CCCc3c2ccc(=O)n3C)c1O ZINC000846217054 1280073375 /nfs/dbraw/zinc/07/33/75/1280073375.db2.gz YRSOPMBBTXBROJ-SWLSCSKDSA-N 1 0 328.412 2.828 10 10 EFCERO Cc1cnc([C@@H](C)[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000794257274 1280093120 /nfs/dbraw/zinc/09/31/20/1280093120.db2.gz MPRSCRFZXQJOQT-MRXNPFEDSA-N 1 0 326.444 2.815 10 10 EFCERO COc1ccc(N(C)CCN(C)C(=O)C[N@H+](C)CC(C)(C)C)cc1 ZINC001144879436 1280347098 /nfs/dbraw/zinc/34/70/98/1280347098.db2.gz QNTBLMLMWZGQOQ-UHFFFAOYSA-N 1 0 335.492 2.568 10 10 EFCERO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC001175419530 1287422115 /nfs/dbraw/zinc/42/21/15/1287422115.db2.gz WOMKOWDEFFXLPD-LBPRGKRZSA-N 1 0 327.384 2.640 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2C[C@H](O)C2)c1O ZINC000872127426 1287436883 /nfs/dbraw/zinc/43/68/83/1287436883.db2.gz SPKLPWZTVNKRQF-QXEWZRGKSA-N 1 0 330.222 2.585 10 10 EFCERO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@H](C3CCCC3)C2)cc1 ZINC001171332347 1281559596 /nfs/dbraw/zinc/55/95/96/1281559596.db2.gz OHKFMKBAKFTWKL-SFHVURJKSA-N 1 0 329.488 2.881 10 10 EFCERO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@H](O)c1ccccc1 ZINC000808443751 1281713979 /nfs/dbraw/zinc/71/39/79/1281713979.db2.gz BJHHTMGLKTXNEB-YWZLYKJASA-N 1 0 344.430 2.874 10 10 EFCERO CCN(CC)c1ccc(C[NH2+]C[C@@H](CO)c2cccnc2)cc1F ZINC000808431745 1281725955 /nfs/dbraw/zinc/72/59/55/1281725955.db2.gz YWJTYWBXHKNWLE-KRWDZBQOSA-N 1 0 331.435 2.933 10 10 EFCERO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809551082 1282302199 /nfs/dbraw/zinc/30/21/99/1282302199.db2.gz ZULOJAHDTWIDCQ-OAQYLSRUSA-N 1 0 349.478 2.960 10 10 EFCERO O=C(CC(F)(F)F)NC[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000809690277 1282374596 /nfs/dbraw/zinc/37/45/96/1282374596.db2.gz MCHWHUUHZWNIHO-LBPRGKRZSA-N 1 0 330.350 2.673 10 10 EFCERO COc1cc(Br)cc(C[N@@H+](C)[C@H]2C[C@@H](OC)C2)c1O ZINC000809693189 1282378768 /nfs/dbraw/zinc/37/87/68/1282378768.db2.gz PNSMKYLUUXNCBV-TXEJJXNPSA-N 1 0 330.222 2.773 10 10 EFCERO Cc1cc(Br)cc(C[NH2+]CC[C@H](O)C(F)(F)F)c1O ZINC000809743169 1282445538 /nfs/dbraw/zinc/44/55/38/1282445538.db2.gz LYGINWQEAITAAA-JTQLQIEISA-N 1 0 342.155 2.866 10 10 EFCERO CN(C)c1ccc(CN(C)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000809965735 1282653531 /nfs/dbraw/zinc/65/35/31/1282653531.db2.gz LUKFWICJTMKJAC-IBGZPJMESA-N 1 0 335.467 2.924 10 10 EFCERO Cc1cc(CCNC(=O)N(C)CC[NH+](C)C)c(C)n1-c1ccccc1 ZINC000747581680 1282691134 /nfs/dbraw/zinc/69/11/34/1282691134.db2.gz NYNYZBGNMUEBNT-UHFFFAOYSA-N 1 0 342.487 2.840 10 10 EFCERO CO[C@H](C)c1nsc(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000812346028 1285091000 /nfs/dbraw/zinc/09/10/00/1285091000.db2.gz BLFDBYWSIGKCIB-CYBMUJFWSA-N 1 0 347.488 2.609 10 10 EFCERO CC[N@H+](Cc1cc(Br)cc(OC)c1O)[C@H]1CCOC1 ZINC000812780624 1285412327 /nfs/dbraw/zinc/41/23/27/1285412327.db2.gz KUBFYEJZGGEKLL-LBPRGKRZSA-N 1 0 330.222 2.774 10 10 EFCERO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H](C)CC[NH+](C)C ZINC001136652009 1289171754 /nfs/dbraw/zinc/17/17/54/1289171754.db2.gz DPSFCEZPUZMMKS-CQSZACIVSA-N 1 0 341.455 2.977 10 10 EFCERO CNC(=O)[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000817414333 1288591854 /nfs/dbraw/zinc/59/18/54/1288591854.db2.gz FNOMXXXHZFYIFH-KRWDZBQOSA-N 1 0 340.423 2.539 10 10 EFCERO CCOc1cccc(C[NH2+][C@@H](C2CCOCC2)C2(CO)CCC2)c1O ZINC000822525151 1289008600 /nfs/dbraw/zinc/00/86/00/1289008600.db2.gz AEURONSASUGQIW-IBGZPJMESA-N 1 0 349.471 2.838 10 10 EFCERO CCOc1ccc(C[NH2+][C@@H](C2CCOCC2)C2(CO)CCC2)c(O)c1 ZINC000822525886 1289009647 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COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2ccnc(F)c2)cc1C ZINC001277770170 1312868789 /nfs/dbraw/zinc/86/87/89/1312868789.db2.gz AJBDERGYWOWYAH-CQSZACIVSA-N 1 0 345.418 2.788 10 10 EFCERO COc1cc(C[N@H+](CCO)[C@@H]2CCO[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000826096852 1291984021 /nfs/dbraw/zinc/98/40/21/1291984021.db2.gz GAJBBHLISFLWBW-CXAGYDPISA-N 1 0 337.460 2.670 10 10 EFCERO CCOc1cccc(C[NH2+][C@@H](C)[C@@H]2CCCN(C(=O)OC)C2)c1O ZINC000775344920 1291985743 /nfs/dbraw/zinc/98/57/43/1291985743.db2.gz BAZXLZIUOKRKND-DZGCQCFKSA-N 1 0 336.432 2.747 10 10 EFCERO C[C@H](NC(=O)CCN(C)c1cc[nH+]cc1)c1ccc(N(C)C)cc1 ZINC000775402628 1292263495 /nfs/dbraw/zinc/26/34/95/1292263495.db2.gz FGIXGAAPQRGKSR-HNNXBMFYSA-N 1 0 326.444 2.851 10 10 EFCERO CC[C@@H]([NH2+]CCCN1CCCS1(=O)=O)c1cc(Cl)ccc1O ZINC000775518926 1292854983 /nfs/dbraw/zinc/85/49/83/1292854983.db2.gz IZTKLLBSUBBZNJ-CQSZACIVSA-N 1 0 346.880 2.512 10 10 EFCERO COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@@H](C)c2cc(OC)ccc2O)C1 ZINC000775582704 1293217744 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COc1ccc(N2CC[C@H]([NH2+]Cc3cncc(OC)c3C)C2)cc1 ZINC000865622438 1303337684 /nfs/dbraw/zinc/33/76/84/1303337684.db2.gz WKLQURUYPHBZBH-INIZCTEOSA-N 1 0 327.428 2.776 10 10 EFCERO Fc1cc(C[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)ccc1N1CCOCC1 ZINC000865761655 1303389815 /nfs/dbraw/zinc/38/98/15/1303389815.db2.gz HKKXJQGWPWDTLM-XLIONFOSSA-N 1 0 348.462 2.957 10 10 EFCERO CCC1([NH+](C)C)CCN(c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000866059953 1303508327 /nfs/dbraw/zinc/50/83/27/1303508327.db2.gz XGSIKPVYQXQRLB-UHFFFAOYSA-N 1 0 337.420 2.923 10 10 EFCERO COc1ccc(N2CC[C@H]([NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)C2)cc1 ZINC000866384349 1303619493 /nfs/dbraw/zinc/61/94/93/1303619493.db2.gz AELIZRLBOXVMEP-FZDIXFNVSA-N 1 0 328.456 2.821 10 10 EFCERO C[C@@H]1C[C@H]([NH2+]Cc2ccnc(-n3cncn3)c2)c2c1c(F)ccc2O ZINC000866432895 1303637204 /nfs/dbraw/zinc/63/72/04/1303637204.db2.gz FGFXILKDFGCOGE-RISCZKNCSA-N 1 0 339.374 2.845 10 10 EFCERO CC[C@H]([NH2+]Cc1nc2c(c(=O)[nH]1)COCC2)c1ccc(C)cc1O ZINC000866627934 1303717990 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EFCERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000901133793 1309567538 /nfs/dbraw/zinc/56/75/38/1309567538.db2.gz DXJRGYFPFKCTRS-WCQYABFASA-N 1 0 346.452 2.869 10 10 EFCERO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000901133794 1309569952 /nfs/dbraw/zinc/56/99/52/1309569952.db2.gz DXJRGYFPFKCTRS-YPMHNXCESA-N 1 0 346.452 2.869 10 10 EFCERO CCn1nccc1CC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000801937432 1311127384 /nfs/dbraw/zinc/12/73/84/1311127384.db2.gz MTGZDYLQKNNSKC-MRXNPFEDSA-N 1 0 328.460 2.633 10 10 EFCERO CCOCCC(=O)N1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C(C)(C)C1 ZINC001284278370 1320300104 /nfs/dbraw/zinc/30/01/04/1320300104.db2.gz YQFDFZIZGKAMMW-SFHVURJKSA-N 1 0 348.487 2.757 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)/C=C/c3ccc[nH]3)CC2)cc1C ZINC001277044338 1311524866 /nfs/dbraw/zinc/52/48/66/1311524866.db2.gz ZOSLKCBZIAEPEL-SOFGYWHQSA-N 1 0 339.439 2.784 10 10 EFCERO O=S1(=O)CCN(c2ccc(C[NH2+]C3C[C@H]4CCC[C@@H]4C3)cc2)CC1 ZINC000902801466 1312118778 /nfs/dbraw/zinc/11/87/78/1312118778.db2.gz BDYJEVZARQYIAJ-IAGOWNOFSA-N 1 0 348.512 2.590 10 10 EFCERO CCCn1cc([C@@H](C)[NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)nn1 ZINC000903026989 1312292312 /nfs/dbraw/zinc/29/23/12/1312292312.db2.gz YCROHFAZMLFXLX-HZPDHXFCSA-N 1 0 343.475 2.874 10 10 EFCERO COc1ccc(C[NH2+][C@H](CCNC(=O)c2ccon2)C(C)C)cc1C ZINC001277554806 1312554048 /nfs/dbraw/zinc/55/40/48/1312554048.db2.gz DZRJFOQWCQKAHH-MRXNPFEDSA-N 1 0 345.443 2.926 10 10 EFCERO COc1ccc(C[NH+]2CCN(c3nc4ccccc4o3)CC2)c(O)c1 ZINC000179502526 1314704437 /nfs/dbraw/zinc/70/44/37/1314704437.db2.gz MSVGHDAKDMLIAC-UHFFFAOYSA-N 1 0 339.395 2.864 10 10 EFCERO COc1ccc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)CC(C)(C)O)C2)cc1C ZINC001278559168 1315191792 /nfs/dbraw/zinc/19/17/92/1315191792.db2.gz ODPYCJCYWKAYPB-DLBZAZTESA-N 1 0 348.487 2.539 10 10 EFCERO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000827544514 1315997320 /nfs/dbraw/zinc/99/73/20/1315997320.db2.gz CXGQSPBYXBPVSI-LJQANCHMSA-N 1 0 344.503 2.865 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H](OC)C(C)C)C2)cc1C ZINC001264430502 1316616244 /nfs/dbraw/zinc/61/62/44/1316616244.db2.gz DCBMPDOZXFQYHH-ZHALLVOQSA-N 1 0 348.487 2.659 10 10 EFCERO COc1ccc(C[NH2+][C@@H](CNC(=O)C2CC=CC2)C2CC2)cc1C ZINC001265350673 1316787943 /nfs/dbraw/zinc/78/79/43/1316787943.db2.gz VREBSPZPXXTOLM-SFHVURJKSA-N 1 0 328.456 2.954 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2cc(Cl)c[nH]2)cc1C ZINC001265752999 1316871990 /nfs/dbraw/zinc/87/19/90/1316871990.db2.gz RXEDUEQEKJVJAM-GFCCVEGCSA-N 1 0 335.835 2.893 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2cncc(C)c2)cc1C ZINC001265762919 1316873431 /nfs/dbraw/zinc/87/34/31/1316873431.db2.gz DRYFUOVNWNGBIV-OAHLLOKOSA-N 1 0 327.428 2.615 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@]23CCC[C@H]2OCC3)cc1C ZINC001265798912 1316879189 /nfs/dbraw/zinc/87/91/89/1316879189.db2.gz NLACWPOWQRRADK-CVAIRZPRSA-N 1 0 346.471 2.557 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2cnn(C(C)C)c2)cc1C ZINC001265851719 1316892021 /nfs/dbraw/zinc/89/20/21/1316892021.db2.gz RHFAGKGESIYJFA-OAHLLOKOSA-N 1 0 344.459 2.689 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H](C)c2cccnc2)cc1C ZINC001265851926 1316892900 /nfs/dbraw/zinc/89/29/00/1316892900.db2.gz UNWFGPDHZWBDSD-HZPDHXFCSA-N 1 0 341.455 2.797 10 10 EFCERO CCOCCC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001266052148 1316978292 /nfs/dbraw/zinc/97/82/92/1316978292.db2.gz PUUUIBXUULAOPO-ROUUACIJSA-N 1 0 348.487 2.947 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)NCC2([NH2+]CCC3CC3)CCC2)cc1 ZINC001280548266 1317614672 /nfs/dbraw/zinc/61/46/72/1317614672.db2.gz NFGPJYVKIUDZOD-UHFFFAOYSA-N 1 0 343.431 2.891 10 10 EFCERO CCO[C@H](C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001319049594 1328770686 /nfs/dbraw/zinc/77/06/86/1328770686.db2.gz WQWDIAYJKHLOIN-NVXWUHKLSA-N 1 0 334.460 2.509 10 10 EFCERO CCO[C@@H](C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001319049593 1328770595 /nfs/dbraw/zinc/77/05/95/1328770595.db2.gz WQWDIAYJKHLOIN-DOTOQJQBSA-N 1 0 334.460 2.509 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)NCCC2CC[NH+](CCF)CC2)cc1 ZINC001319043905 1328769404 /nfs/dbraw/zinc/76/94/04/1328769404.db2.gz MIPLODJKGLBLEA-UHFFFAOYSA-N 1 0 349.410 2.650 10 10 EFCERO CCCOCC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001319054743 1328770979 /nfs/dbraw/zinc/77/09/79/1328770979.db2.gz CFKDLSLPWHXPJU-QGZVFWFLSA-N 1 0 334.460 2.511 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)Cc3ccoc3)C2)cc1C ZINC001316613850 1318567515 /nfs/dbraw/zinc/56/75/15/1318567515.db2.gz FRJWUPAKDHKVRA-HDICACEKSA-N 1 0 342.439 2.824 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2cc(C)no2)cc1C ZINC001282095548 1318724036 /nfs/dbraw/zinc/72/40/36/1318724036.db2.gz LVPXPPJNIREZIT-ZIAGYGMSSA-N 1 0 331.416 2.597 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)CC2(OC)CCC2)cc1C ZINC001282120994 1318739261 /nfs/dbraw/zinc/73/92/61/1318739261.db2.gz ADYHSCQYZBKDHE-CVEARBPZSA-N 1 0 348.487 2.946 10 10 EFCERO CCc1nc[nH]c1C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001282227723 1318786697 /nfs/dbraw/zinc/78/66/97/1318786697.db2.gz JEMZEHJOEJKNRL-ZIAGYGMSSA-N 1 0 344.459 2.586 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2ccn(C)c2C)cc1C ZINC001319238237 1328816258 /nfs/dbraw/zinc/81/62/58/1328816258.db2.gz RMTNRCRJEZBWFJ-CQSZACIVSA-N 1 0 343.471 2.806 10 10 EFCERO CCn1cccc1C(=O)NC[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001319282006 1328829977 /nfs/dbraw/zinc/82/99/77/1328829977.db2.gz MUHKRUAMRJKYAX-OAHLLOKOSA-N 1 0 343.471 2.981 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C2CC2)N(C)C(=O)[C@@H]2C[C@H]2C)cc1C ZINC001283528504 1319790846 /nfs/dbraw/zinc/79/08/46/1319790846.db2.gz CZFMBABTBXFQFU-FSPWUOQZSA-N 1 0 330.472 2.986 10 10 EFCERO CCCC[NH2+][C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@@H]1C ZINC001283940216 1320104704 /nfs/dbraw/zinc/10/47/04/1320104704.db2.gz QSLGTLFHUBKLHL-DOMZBBRYSA-N 1 0 331.420 2.842 10 10 EFCERO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc2c(c1)CCCN2C ZINC001292214480 1322045060 /nfs/dbraw/zinc/04/50/60/1322045060.db2.gz PQTMFTRQLXUHEF-LJQANCHMSA-N 1 0 329.488 2.806 10 10 EFCERO CC(C)[C@@H](C(=O)N1CCOc2cc(N(C)C)ccc21)[NH+]1CCCCC1 ZINC001293952534 1322385006 /nfs/dbraw/zinc/38/50/06/1322385006.db2.gz CITCMMYTLIMBSM-IBGZPJMESA-N 1 0 345.487 2.989 10 10 EFCERO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCC[C@H]2O)ccc1N1CCCCC1 ZINC000742384212 1322635866 /nfs/dbraw/zinc/63/58/66/1322635866.db2.gz VVLLVKZEIWTQKO-MAUKXSAKSA-N 1 0 333.432 2.836 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2sc(C)nc2C)cc1C ZINC001491665040 1323815208 /nfs/dbraw/zinc/81/52/08/1323815208.db2.gz PGHABBZIELZVOS-GFCCVEGCSA-N 1 0 347.484 2.985 10 10 EFCERO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H](C)OCC(C)C)C2)cc1C ZINC001491713339 1323831747 /nfs/dbraw/zinc/83/17/47/1323831747.db2.gz PVSOXCOBIOHVMK-WMZOPIPTSA-N 1 0 348.487 2.755 10 10 EFCERO CCO[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1)C1CC1 ZINC001491726240 1323840913 /nfs/dbraw/zinc/84/09/13/1323840913.db2.gz NWWABGADENJEOQ-HKUYNNGSSA-N 1 0 346.471 2.509 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2cc(F)c[nH]2)cc1C ZINC001492058775 1324165086 /nfs/dbraw/zinc/16/50/86/1324165086.db2.gz SHVAJULVEJRLIT-CYBMUJFWSA-N 1 0 333.407 2.769 10 10 EFCERO C/C(Cl)=C\C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000901286960 1324732178 /nfs/dbraw/zinc/73/21/78/1324732178.db2.gz MDIPTQMCRQXRPR-NTCAYCPXSA-N 1 0 347.890 2.977 10 10 EFCERO CC1(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)OCCCO1 ZINC000752924089 1324770257 /nfs/dbraw/zinc/77/02/57/1324770257.db2.gz MNJOGXPRAHOGHU-UHFFFAOYSA-N 1 0 349.431 2.828 10 10 EFCERO Cc1cc(C[N@@H+]2CCOc3ccccc3[C@@H]2CO)ccc1N(C)C ZINC001308105292 1324793765 /nfs/dbraw/zinc/79/37/65/1324793765.db2.gz KBFHALGFUUPGSB-IBGZPJMESA-N 1 0 326.440 2.989 10 10 EFCERO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC=CC23CCCCC3)cc1 ZINC001308170227 1324797753 /nfs/dbraw/zinc/79/77/53/1324797753.db2.gz DUFCHEPNHJXLMK-UHFFFAOYSA-N 1 0 327.472 2.944 10 10 EFCERO COc1ccc(C[NH2+]C2CC(CNC(=O)[C@H](C)SC)C2)cc1C ZINC001316814159 1325065252 /nfs/dbraw/zinc/06/52/52/1325065252.db2.gz OIMXZSNVTNFSOB-JEYLPNPQSA-N 1 0 336.501 2.740 10 10 EFCERO COCCC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001316871524 1325240265 /nfs/dbraw/zinc/24/02/65/1325240265.db2.gz WKLSZKBBXCCSRW-AEFFLSMTSA-N 1 0 348.487 2.899 10 10 EFCERO COCCC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001316871525 1325240289 /nfs/dbraw/zinc/24/02/89/1325240289.db2.gz WKLSZKBBXCCSRW-FUHWJXTLSA-N 1 0 348.487 2.899 10 10 EFCERO COc1ccc(C[NH2+][C@H](CNC(=O)c2cncs2)C2CC2)cc1C ZINC001317013431 1325483015 /nfs/dbraw/zinc/48/30/15/1325483015.db2.gz VOVJTPONCMSRFN-OAHLLOKOSA-N 1 0 345.468 2.758 10 10 EFCERO CC[C@@H](F)C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001317352728 1327885146 /nfs/dbraw/zinc/88/51/46/1327885146.db2.gz DFTLOXDIBBZHPG-GXTWGEPZSA-N 1 0 349.410 2.649 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)N2CC[C@@H](C[NH2+]C/C=C\Cl)C2)cc1 ZINC001317353982 1327886313 /nfs/dbraw/zinc/88/63/13/1327886313.db2.gz IEURTUFRFPMYMI-PRIUKVKNSA-N 1 0 349.822 2.653 10 10 EFCERO CCC[N@H+](CCNC(=O)c1ccc(N=NC(N)=O)cc1)CC1CC1 ZINC001317544971 1328129740 /nfs/dbraw/zinc/12/97/40/1328129740.db2.gz BBMAALGQGYVPJV-UHFFFAOYSA-N 1 0 331.420 2.701 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)C[C@@H]2CC[C@H]3C[C@H]32)cc1C ZINC001317606718 1328186712 /nfs/dbraw/zinc/18/67/12/1328186712.db2.gz UAVPXJMGMMFLNW-OKZBNKHCSA-N 1 0 330.472 2.988 10 10 EFCERO C[C@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001321760612 1329407446 /nfs/dbraw/zinc/40/74/46/1329407446.db2.gz TVDCTGGAFBSHCR-GFCCVEGCSA-N 1 0 345.447 2.993 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)C[C@@H](C)SC)CC2)cc1C ZINC001323423820 1329542925 /nfs/dbraw/zinc/54/29/25/1329542925.db2.gz KWCYLWIVFPWXIY-CQSZACIVSA-N 1 0 336.501 2.884 10 10 EFCERO COc1ccc(C[NH2+]C[C@@]2(C)CCN(C(=O)c3cocn3)C2)cc1C ZINC001324700409 1329652316 /nfs/dbraw/zinc/65/23/16/1329652316.db2.gz URIMEMYUIFFADP-LJQANCHMSA-N 1 0 343.427 2.634 10 10 EFCERO CCCC[NH2+]C1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CCC1 ZINC001326937992 1330386875 /nfs/dbraw/zinc/38/68/75/1330386875.db2.gz RDZIXUAUTKOZCV-UHFFFAOYSA-N 1 0 331.420 2.891 10 10 EFCERO NC(=O)c1cccc2c1CC[N@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001328173517 1330565521 /nfs/dbraw/zinc/56/55/21/1330565521.db2.gz WMFJNVCZHUPQQY-UHFFFAOYSA-N 1 0 335.451 2.944 10 10 EFCERO CCCCOCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H]1C ZINC001331869778 1330883624 /nfs/dbraw/zinc/88/36/24/1330883624.db2.gz MCNGQBYPSYVDFO-FUHWJXTLSA-N 1 0 348.487 2.899 10 10 EFCERO COC(=O)c1c(C[NH2+][C@H]2CC[C@H](OC)C2)c2cc(F)ccc2n1C ZINC001332004613 1330903410 /nfs/dbraw/zinc/90/34/10/1330903410.db2.gz MIHACTVUAVLOPF-STQMWFEESA-N 1 0 334.391 2.761 10 10 EFCERO CCCOCC(=O)N1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C(C)(C)C1 ZINC001332358542 1330962991 /nfs/dbraw/zinc/96/29/91/1330962991.db2.gz UNQCBNHHRPZBMX-SFHVURJKSA-N 1 0 348.487 2.757 10 10 EFCERO CCCOCC(=O)N1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C(C)(C)C1 ZINC001332358534 1330963117 /nfs/dbraw/zinc/96/31/17/1330963117.db2.gz UNQCBNHHRPZBMX-GOSISDBHSA-N 1 0 348.487 2.757 10 10 EFCERO CCOCC(=O)N[C@H](C[NH2+]Cc1ccc(OC)c(C)c1)C(C)(C)C ZINC001332756970 1331016875 /nfs/dbraw/zinc/01/68/75/1331016875.db2.gz ODWZRNNLAPJOBQ-QGZVFWFLSA-N 1 0 336.476 2.661 10 10 EFCERO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001333086872 1331076488 /nfs/dbraw/zinc/07/64/88/1331076488.db2.gz WEXRCGWRKRGFFU-NEPJUHHUSA-N 1 0 334.441 2.915 10 10 EFCERO CN1CCN(c2ccc(C[N@@H+]3CC[C@@H]([C@H]4CCCO4)C3)cc2F)CC1 ZINC001333736164 1331205653 /nfs/dbraw/zinc/20/56/53/1331205653.db2.gz RCITUXOIFNTJDJ-YLJYHZDGSA-N 1 0 347.478 2.578 10 10 EFCERO C[C@@H]1C[C@H]2CC[C@H](C(=O)NCCCSc3nccs3)C[N@@H+]2C1 ZINC001347650173 1332763215 /nfs/dbraw/zinc/76/32/15/1332763215.db2.gz KIHQOAJPQGBUQV-HZSPNIEDSA-N 1 0 339.530 2.862 10 10 EFCERO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001349507171 1332962609 /nfs/dbraw/zinc/96/26/09/1332962609.db2.gz NZQAUSBAVKEAIL-BHIYHBOVSA-N 1 0 344.503 2.624 10 10 EFCERO CC[C@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@@H]1CCCCO1 ZINC000847077465 1333312053 /nfs/dbraw/zinc/31/20/53/1333312053.db2.gz GKNFNVPCZNXEJR-OALUTQOASA-N 1 0 347.503 2.648 10 10 EFCERO C[C@H]1CC[N@H+](CC(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1 ZINC000847474254 1333768818 /nfs/dbraw/zinc/76/88/18/1333768818.db2.gz IINYXOXGNPCWOM-KRWDZBQOSA-N 1 0 329.488 2.881 10 10 EFCERO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C[C@@H]2OCc3ccccc32)cc1 ZINC000848393621 1334705288 /nfs/dbraw/zinc/70/52/88/1334705288.db2.gz IHYLNCSOOUHABK-OALUTQOASA-N 1 0 339.439 2.530 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCCN(C)C2)c1O ZINC000848523971 1334772470 /nfs/dbraw/zinc/77/24/70/1334772470.db2.gz PAHZNVXVAJARRR-CMPLNLGQSA-N 1 0 343.265 2.908 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+]CCn2ccnc2)c1O ZINC000848514227 1334768472 /nfs/dbraw/zinc/76/84/72/1334768472.db2.gz LKQNXEWCKWWYAI-SNVBAGLBSA-N 1 0 340.221 2.711 10 10 EFCERO Cc1cc(C(O)=CONC(=[NH2+])[C@H]2C[C@@H]2C)c(C)n1-c1ccc(F)cn1 ZINC000848517364 1334769015 /nfs/dbraw/zinc/76/90/15/1334769015.db2.gz DJPSIOUZCFIAIB-HZMBPMFUSA-N 1 0 344.390 2.965 10 10 EFCERO Cn1c(Cl)ncc1C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000848527620 1334775773 /nfs/dbraw/zinc/77/57/73/1334775773.db2.gz DBIBOGKSIIGTBE-UHFFFAOYSA-N 1 0 336.892 2.917 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+]CC2(O)CCC2)c1O ZINC000848528198 1334776286 /nfs/dbraw/zinc/77/62/86/1334776286.db2.gz KHMYEESTQRYATQ-SECBINFHSA-N 1 0 330.222 2.729 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)CCCO)c1O ZINC000848532647 1334779860 /nfs/dbraw/zinc/77/98/60/1334779860.db2.gz KISQZCCFUOAZHB-VHSXEESVSA-N 1 0 332.238 2.975 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)CCCO)c1O ZINC000848532645 1334780087 /nfs/dbraw/zinc/78/00/87/1334780087.db2.gz KISQZCCFUOAZHB-NXEZZACHSA-N 1 0 332.238 2.975 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)C(C)(C)O)c1O ZINC000848541659 1334785515 /nfs/dbraw/zinc/78/55/15/1334785515.db2.gz SJGZPYIURVQLMQ-RKDXNWHRSA-N 1 0 332.238 2.973 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)C[C@@H](C)O)c1O ZINC000848544787 1334786577 /nfs/dbraw/zinc/78/65/77/1334786577.db2.gz OLSRIKRVCGFROY-BBBLOLIVSA-N 1 0 332.238 2.973 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+]CCC(C)(C)O)c1O ZINC000848546233 1334787986 /nfs/dbraw/zinc/78/79/86/1334787986.db2.gz VYHNSBGVELAYDM-SECBINFHSA-N 1 0 332.238 2.975 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+]CCCCCO)c1O ZINC000848548935 1334788531 /nfs/dbraw/zinc/78/85/31/1334788531.db2.gz HOMLFUUYVLRVEX-SNVBAGLBSA-N 1 0 332.238 2.977 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+]CC2(N(C)C)CC2)c1O ZINC000848552967 1334791356 /nfs/dbraw/zinc/79/13/56/1334791356.db2.gz GXCYMDRPROFQFO-SNVBAGLBSA-N 1 0 343.265 2.908 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](O)C2CCC2)c1O ZINC000848553594 1334791856 /nfs/dbraw/zinc/79/18/56/1334791856.db2.gz WKHVEUCMAAPKRS-ZANVPECISA-N 1 0 344.249 2.975 10 10 EFCERO c1cc(N2CCOCC2)ccc1C[NH2+][C@H](C1CC1)[C@@H]1CCCCO1 ZINC000848560316 1334795501 /nfs/dbraw/zinc/79/55/01/1334795501.db2.gz LAFNECGIEXXLMU-VQTJNVASSA-N 1 0 330.472 2.961 10 10 EFCERO C[C@H](C[NH2+]C/C=C\c1ccc(N(C)C)cc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848561607 1334795809 /nfs/dbraw/zinc/79/58/09/1334795809.db2.gz AFHCZGAEKKZBRO-WDYWZEPKSA-N 1 0 331.504 2.853 10 10 EFCERO C[C@H](C[NH2+]C/C=C/c1ccc(N(C)C)cc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848561606 1334795872 /nfs/dbraw/zinc/79/58/72/1334795872.db2.gz AFHCZGAEKKZBRO-OPGNADACSA-N 1 0 331.504 2.853 10 10 EFCERO Cc1cc(O)c(C[NH2+]C[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)c(Cl)c1 ZINC000848563821 1334796924 /nfs/dbraw/zinc/79/69/24/1334796924.db2.gz ZNPKOJJNUQWJNA-MCIONIFRSA-N 1 0 326.868 2.941 10 10 EFCERO O=C1O[C@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)CN1C1CC1 ZINC000848577230 1334803773 /nfs/dbraw/zinc/80/37/73/1334803773.db2.gz CAYDLDUTUNTHRI-GOSISDBHSA-N 1 0 329.444 2.750 10 10 EFCERO CCc1cccc(C[NH+]2CCC(c3nnc4n3CCC4)CC2)c1O ZINC000848881866 1334958760 /nfs/dbraw/zinc/95/87/60/1334958760.db2.gz ITXGXZLXHZPJKR-UHFFFAOYSA-N 1 0 326.444 2.872 10 10 EFCERO COC(=O)c1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c(C)o1 ZINC000848893331 1334966505 /nfs/dbraw/zinc/96/65/05/1334966505.db2.gz CMBWFAWYETZSSJ-UHFFFAOYSA-N 1 0 344.411 2.501 10 10 EFCERO CCc1cccc(C[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)c1O ZINC000848903333 1334974606 /nfs/dbraw/zinc/97/46/06/1334974606.db2.gz PWZYUZLCUHWSTO-UHFFFAOYSA-N 1 0 345.418 2.615 10 10 EFCERO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCc2ccc(N(C)C)cc2)cc1 ZINC000849350212 1335596549 /nfs/dbraw/zinc/59/65/49/1335596549.db2.gz UXDJARKBGXVZKC-SFTDATJTSA-N 1 0 339.483 2.997 10 10 EFCERO COc1c([O-])c(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)ccc1[N+](=O)[O-] ZINC000849350832 1335596920 /nfs/dbraw/zinc/59/69/20/1335596920.db2.gz XVWCIQKUMDTIMU-CQSZACIVSA-N 1 0 349.431 2.521 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)N[C@H]2C[C@H](C[NH2+]C/C=C/Cl)C2)cc1 ZINC001506906650 1406424717 /nfs/dbraw/zinc/42/47/17/1406424717.db2.gz MJEOBICJYHAYIL-WBRZBCJNSA-N 1 0 349.822 2.700 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C2CC2)N(C)C(=O)[C@@H]2CCCO2)cc1C ZINC001507002783 1406576253 /nfs/dbraw/zinc/57/62/53/1406576253.db2.gz ZACWTBAHFNXUMR-HKUYNNGSSA-N 1 0 346.471 2.509 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)CC[C@H]2CCCO2)cc1C ZINC001507047902 1406636514 /nfs/dbraw/zinc/63/65/14/1406636514.db2.gz NQOZIKQAPLJLBL-SJLPKXTDSA-N 1 0 348.487 2.899 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2n[nH]c(C)c2C)cc1C ZINC001507054308 1406643859 /nfs/dbraw/zinc/64/38/59/1406643859.db2.gz DGPBDESCTPVZLD-ZDUSSCGKSA-N 1 0 344.459 2.594 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2n[nH]c(C)c2C)cc1C ZINC001507054305 1406644532 /nfs/dbraw/zinc/64/45/32/1406644532.db2.gz DGPBDESCTPVZLD-CYBMUJFWSA-N 1 0 344.459 2.594 10 10 EFCERO CN(C)c1ccc([C@H](CNC(=O)c2c(O)cccc2F)[NH+](C)C)cc1 ZINC001456938845 1394875624 /nfs/dbraw/zinc/87/56/24/1394875624.db2.gz ZMCFWDYVNLDLCY-INIZCTEOSA-N 1 0 345.418 2.630 10 10 EFCERO CCc1oncc1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001507128922 1406741562 /nfs/dbraw/zinc/74/15/62/1406741562.db2.gz MSJGWKYNFDWMFO-CQSZACIVSA-N 1 0 345.443 2.804 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C[C@@H]2CCCOC2)cc1C ZINC001507161871 1406791941 /nfs/dbraw/zinc/79/19/41/1406791941.db2.gz HGIIUGXCXAPIBJ-WMZOPIPTSA-N 1 0 348.487 2.757 10 10 EFCERO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)NC(=O)Nc1ccccc1F ZINC001460641076 1396240466 /nfs/dbraw/zinc/24/04/66/1396240466.db2.gz XIUDANQFDDWCNQ-NWDGAFQWSA-N 1 0 345.374 2.919 10 10 EFCERO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)Cc2ccc(O)c(O)c2)C1 ZINC001464212400 1396556060 /nfs/dbraw/zinc/55/60/60/1396556060.db2.gz CXUXXJSNQSLNAG-GASCZTMLSA-N 1 0 334.460 2.515 10 10 EFCERO CCCOCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H]1C ZINC001507274986 1406839184 /nfs/dbraw/zinc/83/91/84/1406839184.db2.gz WPXZDXHJIFPMKA-DOTOQJQBSA-N 1 0 334.460 2.509 10 10 EFCERO C[NH+]1CCN(c2ccc(CNC(=O)NCC3=CCCCC3)cc2)CC1 ZINC001470363075 1397088261 /nfs/dbraw/zinc/08/82/61/1397088261.db2.gz VWEZPSBATZMQMX-UHFFFAOYSA-N 1 0 342.487 2.738 10 10 EFCERO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC001478840377 1397591651 /nfs/dbraw/zinc/59/16/51/1397591651.db2.gz BANNNVMLZSCCEY-WBVHZDCISA-N 1 0 346.519 2.633 10 10 EFCERO C[C@H]1[C@H](NC(=O)N(C)Cc2ccc(N3CCCC3)cc2)CC[N@@H+]1C ZINC001479377618 1397708288 /nfs/dbraw/zinc/70/82/88/1397708288.db2.gz WNIFQUPWQQVZMR-MAUKXSAKSA-N 1 0 330.476 2.521 10 10 EFCERO CN(C)c1ccc([C@H](CNC(=O)N2C[C@H]3CCCC[C@H]32)[NH+](C)C)cc1 ZINC001479532983 1397752956 /nfs/dbraw/zinc/75/29/56/1397752956.db2.gz HGGJGVSJZIOSAV-QRQLOZEOSA-N 1 0 344.503 2.939 10 10 EFCERO CCC[N@H+](CCNC(=O)c1ccc(N=NC(N)=O)cc1)CC(C)C ZINC001493334307 1398622162 /nfs/dbraw/zinc/62/21/62/1398622162.db2.gz QINKPSAJUCQNIV-UHFFFAOYSA-N 1 0 333.436 2.947 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)Cc2cncs2)cc1C ZINC001495683643 1400164647 /nfs/dbraw/zinc/16/46/47/1400164647.db2.gz KUWTXMKWTUCXHR-CYBMUJFWSA-N 1 0 347.484 2.545 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2nc(C)oc2C)cc1C ZINC001496194008 1400531311 /nfs/dbraw/zinc/53/13/11/1400531311.db2.gz IECZAKPKTPOBHE-CYBMUJFWSA-N 1 0 345.443 2.859 10 10 EFCERO COc1ccc(C[NH2+][C@H](CNC(=O)[C@H](C)SC)C(C)C)cc1C ZINC001496531859 1400800936 /nfs/dbraw/zinc/80/09/36/1400800936.db2.gz GIHBJQPSSKZZTC-GOEBONIOSA-N 1 0 338.517 2.986 10 10 EFCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CC[C@@H](F)C2)cc1C ZINC001497661518 1401530166 /nfs/dbraw/zinc/53/01/66/1401530166.db2.gz PBYHGJKGANFDMG-MULDZMIYSA-N 1 0 334.435 2.904 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)[C@H]2CCCO2)C(C)(C)C)cc1C ZINC001507874922 1407193179 /nfs/dbraw/zinc/19/31/79/1407193179.db2.gz LGAKVYCONWPQNL-QZTJIDSGSA-N 1 0 348.487 2.803 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2c(C)ccn2C)cc1C ZINC001497809628 1401668223 /nfs/dbraw/zinc/66/82/23/1401668223.db2.gz UEEWSRSQTIBZHV-OAHLLOKOSA-N 1 0 329.444 2.559 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)CCC2CCOCC2)cc1C ZINC001497926497 1401746012 /nfs/dbraw/zinc/74/60/12/1401746012.db2.gz DKJAGJVPYATTBV-MRXNPFEDSA-N 1 0 348.487 2.805 10 10 EFCERO C[C@H](C[N@H+](C)CCC1CC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001498463811 1402124461 /nfs/dbraw/zinc/12/44/61/1402124461.db2.gz FHRZMXQCHWRUGE-GFCCVEGCSA-N 1 0 331.420 2.699 10 10 EFCERO CCc1nnc(N(C)Cc2ccccc2O)n1C[C@@H](C)[NH+](CC)CC ZINC001498674579 1402237103 /nfs/dbraw/zinc/23/71/03/1402237103.db2.gz CTVFQWSCLQUGIM-OAHLLOKOSA-N 1 0 345.491 2.913 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)c3occc3C)CC2)cc1C ZINC001499158155 1402500855 /nfs/dbraw/zinc/50/08/55/1402500855.db2.gz LALJRLJLKICLGK-UHFFFAOYSA-N 1 0 328.412 2.957 10 10 EFCERO CCC[C@H](OC)C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001499916015 1402851993 /nfs/dbraw/zinc/85/19/93/1402851993.db2.gz LGHPSHYQIWLFFO-HKUYNNGSSA-N 1 0 348.487 2.899 10 10 EFCERO CCOCCC(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001500325520 1403054525 /nfs/dbraw/zinc/05/45/25/1403054525.db2.gz YFURBEDEYRXCRC-FQEVSTJZSA-N 1 0 348.487 2.758 10 10 EFCERO COCCCC(=O)N1CCC(C)([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001502770796 1404335407 /nfs/dbraw/zinc/33/54/07/1404335407.db2.gz NLACCAPLYTUKEG-UHFFFAOYSA-N 1 0 348.487 2.901 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)C[C@H]2CCCOC2)cc1C ZINC001503630668 1404491321 /nfs/dbraw/zinc/49/13/21/1404491321.db2.gz QCLSIRLOWRWZTE-FUHWJXTLSA-N 1 0 348.487 2.805 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C(=O)C(C)(C)C)cc1C ZINC001505579698 1404806302 /nfs/dbraw/zinc/80/63/02/1404806302.db2.gz ZVBRUTCYCAPRMX-UONOGXRCSA-N 1 0 334.460 2.602 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C2(C)CCOCC2)cc1C ZINC001505709793 1404968130 /nfs/dbraw/zinc/96/81/30/1404968130.db2.gz JIHRKJDPPPGJME-HZPDHXFCSA-N 1 0 348.487 2.803 10 10 EFCERO CC[C@@H](C)[N@H+](C)CCn1c(C)nnc1N(C)Cc1ccccc1O ZINC001513142366 1413609946 /nfs/dbraw/zinc/60/99/46/1413609946.db2.gz NJWSPXOQXDXKQI-CQSZACIVSA-N 1 0 331.464 2.659 10 10 EFCERO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC001557063770 1415103470 /nfs/dbraw/zinc/10/34/70/1415103470.db2.gz YVDPAVRUJOBYSJ-YJBOKZPZSA-N 1 0 331.504 2.981 10 10 EFCERO COc1cc(C)nc(NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC001559298356 1415238287 /nfs/dbraw/zinc/23/82/87/1415238287.db2.gz QQISPMWUUJDYHK-INIZCTEOSA-N 1 0 329.448 2.574 10 10 EFCERO CN(C)c1ccc([C@@H](CNC(=O)NC2CC(C)(C)C2)[NH+](C)C)cc1 ZINC001565110455 1415390170 /nfs/dbraw/zinc/39/01/70/1415390170.db2.gz ZZLKIUHTKMREJZ-QGZVFWFLSA-N 1 0 332.492 2.843 10 10 EFCERO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCC[N@@H+](C)C(C)C ZINC001565614840 1415407705 /nfs/dbraw/zinc/40/77/05/1415407705.db2.gz DCGHCNIZABRGQF-UHFFFAOYSA-N 1 0 341.455 2.977 10 10 EFCERO CC[C@@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001565857427 1415435552 /nfs/dbraw/zinc/43/55/52/1415435552.db2.gz GHLMBQNFTNHFHN-IOASZLSFSA-N 1 0 345.447 2.993 10 10 EFCERO COCCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001565957448 1415463783 /nfs/dbraw/zinc/46/37/83/1415463783.db2.gz LRWRAAOWRRWAKP-QAPCUYQASA-N 1 0 348.487 2.757 10 10 EFCERO CC[C@H](C)C[N@H+](C)CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001566521555 1415611311 /nfs/dbraw/zinc/61/13/11/1415611311.db2.gz TXDJBIKORAXMOM-ZDUSSCGKSA-N 1 0 333.436 2.947 10 10 EFCERO COc1ccc(C[NH2+][C@H](CNC(=O)c2conc2C)C2CC2)cc1C ZINC001566719320 1415745376 /nfs/dbraw/zinc/74/53/76/1415745376.db2.gz BUCCORPETDHSFI-QGZVFWFLSA-N 1 0 343.427 2.598 10 10 EFCERO CC(C)CC[NH2+][C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001566731114 1415748792 /nfs/dbraw/zinc/74/87/92/1415748792.db2.gz AEFNOFIYZYMWCK-MRXNPFEDSA-N 1 0 345.447 2.993 10 10 EFCERO C[C@@H](F)CC[NH2+][C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001566731128 1415748916 /nfs/dbraw/zinc/74/89/16/1415748916.db2.gz AMHBCEZZTBXZMI-IAQYHMDHSA-N 1 0 349.410 2.695 10 10 EFCERO COCCC1(C(=O)N2CC[C@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)CC1 ZINC001566766616 1415768571 /nfs/dbraw/zinc/76/85/71/1415768571.db2.gz DYKXBYGMKDAJMP-KRWDZBQOSA-N 1 0 346.471 2.511 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)CC2(OC)CCC2)cc1C ZINC001567010867 1415898576 /nfs/dbraw/zinc/89/85/76/1415898576.db2.gz ANKQITAKNOOXRZ-OAHLLOKOSA-N 1 0 334.460 2.557 10 10 EFCERO CCc1ncsc1C(=O)NC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567020825 1415902818 /nfs/dbraw/zinc/90/28/18/1415902818.db2.gz AGJXZAFDUXVWGN-ZDUSSCGKSA-N 1 0 347.484 2.931 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2cncc(Cl)c2)cc1C ZINC001567062820 1415920287 /nfs/dbraw/zinc/92/02/87/1415920287.db2.gz QTMXYTHXEBPULV-CYBMUJFWSA-N 1 0 347.846 2.960 10 10 EFCERO CCc1cc(C(=O)NCC[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)no1 ZINC001567236515 1416005901 /nfs/dbraw/zinc/00/59/01/1416005901.db2.gz LJSMPVOHRQSISO-AWEZNQCLSA-N 1 0 345.443 2.852 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)CC[C@@H]2CC[C@@H](C)O2)cc1C ZINC001567609618 1416208372 /nfs/dbraw/zinc/20/83/72/1416208372.db2.gz ZOUYCJUPUVGDSG-AEFFLSMTSA-N 1 0 348.487 2.899 10 10 EFCERO CC[C@H](CNC(=O)c1cncs1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567950880 1416341336 /nfs/dbraw/zinc/34/13/36/1416341336.db2.gz JWZZSFKBRVJUOL-CQSZACIVSA-N 1 0 333.457 2.758 10 10 EFCERO CC[C@H](CNC(=O)C1=COCCC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567953240 1416342488 /nfs/dbraw/zinc/34/24/88/1416342488.db2.gz SGSGDQANYIUGJD-QGZVFWFLSA-N 1 0 332.444 2.682 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2oc(C)nc2C)cc1C ZINC001568164468 1416430359 /nfs/dbraw/zinc/43/03/59/1416430359.db2.gz NNOPRRDJOOVSGD-GFCCVEGCSA-N 1 0 345.443 2.764 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@@H]2CC2(F)F)cc1C ZINC001568170813 1416432463 /nfs/dbraw/zinc/43/24/63/1416432463.db2.gz NANALWCGDKKDMY-RISCZKNCSA-N 1 0 326.387 2.501 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@@]2(C)CCCOC2)cc1C ZINC001568202420 1416440364 /nfs/dbraw/zinc/44/03/64/1416440364.db2.gz UAXYFGRHMPZCIC-QRWLVFNGSA-N 1 0 348.487 2.662 10 10 EFCERO CC[C@@H](F)C[NH2+]C[C@H](C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001568322601 1416476609 /nfs/dbraw/zinc/47/66/09/1416476609.db2.gz OXUPUXZBYDIGHG-WCQYABFASA-N 1 0 337.399 2.647 10 10 EFCERO CC(C)C[C@@H](C[NH2+]CCF)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001568339524 1416482114 /nfs/dbraw/zinc/48/21/14/1416482114.db2.gz VUZFOBHQFCBYGD-AWEZNQCLSA-N 1 0 337.399 2.553 10 10 EFCERO COc1ccc2c(c1)C[C@H](C(C)C)CN2C[C@H](O)C[N@H+](C)C1CC1 ZINC001646305980 1416644605 /nfs/dbraw/zinc/64/46/05/1416644605.db2.gz GLTXUYMJWJBWOA-FUHWJXTLSA-N 1 0 332.488 2.785 10 10 EFCERO CN(C)c1ccc([C@H](CNC(=O)NOC2CCCCC2)[NH+](C)C)cc1 ZINC001686184306 1416791641 /nfs/dbraw/zinc/79/16/41/1416791641.db2.gz FZVZYTBDTMBJGP-SFHVURJKSA-N 1 0 348.491 2.919 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2ncoc2C2CC2)cc1C ZINC001690636914 1417222337 /nfs/dbraw/zinc/22/23/37/1417222337.db2.gz JCPDQXHIGYXRFN-CYBMUJFWSA-N 1 0 343.427 2.777 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)COc2ccsc2)cc1C ZINC001690637942 1417223027 /nfs/dbraw/zinc/22/30/27/1417223027.db2.gz AABYAVKVTISKIK-AWEZNQCLSA-N 1 0 348.468 2.738 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2cc[nH]c2C)cc1C ZINC001698746607 1417326514 /nfs/dbraw/zinc/32/65/14/1417326514.db2.gz MSOCWLGFINAZGV-CYBMUJFWSA-N 1 0 329.444 2.796 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2cc[nH]c2C)cc1C ZINC001698746608 1417326525 /nfs/dbraw/zinc/32/65/25/1417326525.db2.gz MSOCWLGFINAZGV-ZDUSSCGKSA-N 1 0 329.444 2.796 10 10 EFCERO COC[C@@H](C)C(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CCCC1 ZINC001698796379 1417336026 /nfs/dbraw/zinc/33/60/26/1417336026.db2.gz VSRFIJBSTOVWTH-MRXNPFEDSA-N 1 0 348.487 2.805 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)C2CCCCCC2)cc1C ZINC001699041754 1417379637 /nfs/dbraw/zinc/37/96/37/1417379637.db2.gz PJNCAPOIUOAQKC-GOSISDBHSA-N 1 0 348.487 2.541 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2cc(C)nc(C)c2)cc1C ZINC001699364698 1417422020 /nfs/dbraw/zinc/42/20/20/1417422020.db2.gz YUNRNTFLRMSWDI-MRXNPFEDSA-N 1 0 341.455 2.924 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)NCC2([NH2+]C/C=C\Cl)CCC2)cc1 ZINC001700142847 1417582487 /nfs/dbraw/zinc/58/24/87/1417582487.db2.gz GOOCBRNDBOLLCP-KURKSOQASA-N 1 0 349.822 2.844 10 10 EFCERO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)CCOC(C)C)C2)cc1C ZINC001700833339 1417662315 /nfs/dbraw/zinc/66/23/15/1417662315.db2.gz URFIFISBDWVCAM-FUHWJXTLSA-N 1 0 348.487 2.898 10 10 EFCERO COc1ccc(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c(O)c1 ZINC000154877166 1418264741 /nfs/dbraw/zinc/26/47/41/1418264741.db2.gz DCZMHPKCVQEEHJ-UHFFFAOYSA-N 1 0 336.432 2.890 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CCOC(C)C)C2)cc1C ZINC001713153410 1418341569 /nfs/dbraw/zinc/34/15/69/1418341569.db2.gz DUHBLFOOMFMADB-QAQDUYKDSA-N 1 0 334.460 2.556 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)CCC(F)(F)F)cc1C ZINC001713305245 1418465261 /nfs/dbraw/zinc/46/52/61/1418465261.db2.gz KOXVWKUMBDHLEC-LBPRGKRZSA-N 1 0 332.366 2.940 10 10 EFCERO CCCc1cc(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)[nH]n1 ZINC001713329393 1418476130 /nfs/dbraw/zinc/47/61/30/1418476130.db2.gz JNUJXETULADIGN-CQSZACIVSA-N 1 0 344.459 2.587 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H](OC)C(C)C)cc1C ZINC001714744528 1418621234 /nfs/dbraw/zinc/62/12/34/1418621234.db2.gz CINRRONZBYLOKK-MAUKXSAKSA-N 1 0 336.476 2.611 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2ccsn2)cc1C ZINC001715234827 1418657213 /nfs/dbraw/zinc/65/72/13/1418657213.db2.gz KUOGOYIYGWPIRS-LBPRGKRZSA-N 1 0 333.457 2.616 10 10 EFCERO CCc1nc(C(=O)N[C@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)c(C)o1 ZINC001715951193 1418699274 /nfs/dbraw/zinc/69/92/74/1418699274.db2.gz HLXOIGVDGUDQFU-CYBMUJFWSA-N 1 0 345.443 2.771 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2cc(Cl)c[nH]2)cc1C ZINC001715968009 1418700812 /nfs/dbraw/zinc/70/08/12/1418700812.db2.gz DXSVFSDQYSGGBM-LBPRGKRZSA-N 1 0 335.835 2.893 10 10 EFCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)c2nocc2C)cc1C ZINC001716185187 1418716308 /nfs/dbraw/zinc/71/63/08/1418716308.db2.gz OYXWADHICYCKRF-CQSZACIVSA-N 1 0 331.416 2.598 10 10 EFCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)C2(CF)CCC2)cc1C ZINC001716346200 1418789487 /nfs/dbraw/zinc/78/94/87/1418789487.db2.gz HDZDDUFBCGTLJM-ARJAWSKDSA-N 1 0 334.435 2.905 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)c2cscn2)C2CC2)cc1C ZINC001716605942 1418921972 /nfs/dbraw/zinc/92/19/72/1418921972.db2.gz GJEALRVNZSCBHF-OAHLLOKOSA-N 1 0 345.468 2.758 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)c2[nH]ccc2C)C2CC2)cc1C ZINC001716610006 1418923899 /nfs/dbraw/zinc/92/38/99/1418923899.db2.gz LAJYENBUNMZEFG-QGZVFWFLSA-N 1 0 341.455 2.938 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)Cc2ccc[nH]2)C2CC2)cc1C ZINC001716630687 1418930236 /nfs/dbraw/zinc/93/02/36/1418930236.db2.gz CRPFCWCHSLNSPD-GOSISDBHSA-N 1 0 341.455 2.559 10 10 EFCERO CC[C@@H]1CN(C(=O)CCOC)CC[C@H]1[NH2+]Cc1ccc(OC)c(C)c1 ZINC001716630844 1418930386 /nfs/dbraw/zinc/93/03/86/1418930386.db2.gz SWKZMKQNQOJNLN-QZTJIDSGSA-N 1 0 348.487 2.757 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3CO[C@H](C)C3)CCC2)cc1C ZINC001717153434 1419240465 /nfs/dbraw/zinc/24/04/65/1419240465.db2.gz QBKIHHSILMUTEQ-WBVHZDCISA-N 1 0 346.471 2.557 10 10 EFCERO CC(C)C[N@H+](C)CCCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001717215299 1419269117 /nfs/dbraw/zinc/26/91/17/1419269117.db2.gz FHUHTMOXMKJDMW-UHFFFAOYSA-N 1 0 333.436 2.899 10 10 EFCERO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)c2n[nH]cc2C)cc1C ZINC001717668464 1419496082 /nfs/dbraw/zinc/49/60/82/1419496082.db2.gz ZYEJYTLRSRBTIG-OAHLLOKOSA-N 1 0 344.459 2.723 10 10 EFCERO CCCCC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001723485396 1424510781 /nfs/dbraw/zinc/51/07/81/1424510781.db2.gz WZNCAHWIVTWZLC-HNNXBMFYSA-N 1 0 331.420 2.843 10 10 EFCERO COC[C@@H](C)C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001724204810 1424699581 /nfs/dbraw/zinc/69/95/81/1424699581.db2.gz OTNRGONNFBUUQW-UZLBHIALSA-N 1 0 348.487 2.614 10 10 EFCERO COC[C@@H](C)C(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001724204809 1424699624 /nfs/dbraw/zinc/69/96/24/1424699624.db2.gz OTNRGONNFBUUQW-OXQOHEQNSA-N 1 0 348.487 2.614 10 10 EFCERO CCOCC(=O)N1CCC(CC)([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001724882685 1425096781 /nfs/dbraw/zinc/09/67/81/1425096781.db2.gz DPWUQCJRZYSSGH-UHFFFAOYSA-N 1 0 348.487 2.901 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2ccsn2)cc1C ZINC001725494943 1425618711 /nfs/dbraw/zinc/61/87/11/1425618711.db2.gz KWBHVRBBMQFOSI-CYBMUJFWSA-N 1 0 333.457 2.710 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2C[C@H]3C[C@H]3C2)cc1C ZINC001725503411 1425624428 /nfs/dbraw/zinc/62/44/28/1425624428.db2.gz JMNPQWNWMHDGIM-BGTYHANMSA-N 1 0 330.472 2.986 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)CCn2cccc2)cc1C ZINC001725513388 1425630620 /nfs/dbraw/zinc/63/06/20/1425630620.db2.gz GLYAXSJHDPGTGY-QGZVFWFLSA-N 1 0 343.471 2.832 10 10 EFCERO CCc1nnc(N(C)Cc2ccccc2O)n1C[C@@H](C1CC1)[NH+](C)C ZINC001727507756 1426301217 /nfs/dbraw/zinc/30/12/17/1426301217.db2.gz UOSVMNLNUFCKEM-INIZCTEOSA-N 1 0 343.475 2.523 10 10 EFCERO CC[C@H](C(=O)NCc1cc(Br)ccc1O)[NH+](CC)CC ZINC000804738485 713456241 /nfs/dbraw/zinc/45/62/41/713456241.db2.gz RVJPLGYQBBCAPU-CYBMUJFWSA-N 1 0 343.265 2.891 10 10 EFCERO CCN1CCC[C@H]([NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000247207697 713513044 /nfs/dbraw/zinc/51/30/44/713513044.db2.gz WSXJJLJYTKMMFH-WBVHZDCISA-N 1 0 335.467 2.797 10 10 EFCERO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000047144605 714087875 /nfs/dbraw/zinc/08/78/75/714087875.db2.gz HVCLFQQQBJXRNJ-AWEZNQCLSA-N 1 0 340.427 2.855 10 10 EFCERO CC(=O)CCC(C)(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891254241 714148957 /nfs/dbraw/zinc/14/89/57/714148957.db2.gz XVIIPLYCEFLXTR-GOSISDBHSA-N 1 0 347.503 2.867 10 10 EFCERO CC(=O)c1cc(F)cc(C[NH2+][C@@](C)(CO)Cc2ccc(F)cc2)c1O ZINC000933439514 714785141 /nfs/dbraw/zinc/78/51/41/714785141.db2.gz QZYMMKFTHJJAND-LJQANCHMSA-N 1 0 349.377 2.956 10 10 EFCERO COc1ccc(N2CC[NH+](C[C@@H](O)c3ccccc3C)CC2)cc1F ZINC000084867101 714955180 /nfs/dbraw/zinc/95/51/80/714955180.db2.gz DJFNDQOMPAGHLN-LJQANCHMSA-N 1 0 344.430 2.998 10 10 EFCERO CN1CCCc2cc([C@H]3NC(=[NH2+])Nc4nc5ccccc5n43)ccc21 ZINC000052118390 716010315 /nfs/dbraw/zinc/01/03/15/716010315.db2.gz UMYXFGGTNWEAEW-KRWDZBQOSA-N 1 0 332.411 2.684 10 10 EFCERO CCN(CC)c1ccc(CNC(=O)N[C@H]2CCC[N@H+](CC)C2)cc1 ZINC000052552459 716295671 /nfs/dbraw/zinc/29/56/71/716295671.db2.gz XFUMQLPLIBDNTJ-KRWDZBQOSA-N 1 0 332.492 2.816 10 10 EFCERO O=C(NCC[NH+]1CCCCCC1)c1cc2cc(O)c(O)cc2s1 ZINC000895678654 724249075 /nfs/dbraw/zinc/24/90/75/724249075.db2.gz BRLMLDMFMOVVFG-UHFFFAOYSA-N 1 0 334.441 2.918 10 10 EFCERO CNC(=O)COc1cccc(C[NH2+]Cc2c(O)cc(C)cc2Cl)c1 ZINC000840879327 717883090 /nfs/dbraw/zinc/88/30/90/717883090.db2.gz 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347.434 2.676 10 10 EFCERO COC(=O)c1c(CN[C@H]2CC[N@H+](C)[C@@H](C)C2)c2cc(F)ccc2n1C ZINC000894312969 722067536 /nfs/dbraw/zinc/06/75/36/722067536.db2.gz OXQWRZBONULVNR-JSGCOSHPSA-N 1 0 347.434 2.676 10 10 EFCERO COC(=O)c1c(C[NH2+][C@H]2CC[C@@H](CO)CC2)c2cc(F)ccc2n1C ZINC000894342209 722137652 /nfs/dbraw/zinc/13/76/52/722137652.db2.gz JRGGHCAHMAFZRQ-XBXGTLAGSA-N 1 0 348.418 2.745 10 10 EFCERO CC[C@H](CCO)C[NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894353274 722597830 /nfs/dbraw/zinc/59/78/30/722597830.db2.gz YEKSKDSVNNFPQY-GFCCVEGCSA-N 1 0 336.407 2.602 10 10 EFCERO COC(=O)c1c(C[NH2+]CCOC(F)(F)F)c2cc(F)ccc2n1C ZINC000894540254 722776142 /nfs/dbraw/zinc/77/61/42/722776142.db2.gz GNRWAMFTEIKIPB-UHFFFAOYSA-N 1 0 348.296 2.730 10 10 EFCERO COC(=O)c1c(C[NH2+]C[C@@H]2CCOC[C@H]2C)c2cc(F)ccc2n1C ZINC000894749183 722833873 /nfs/dbraw/zinc/83/38/73/722833873.db2.gz DMGLMEOMMRMMJO-OLZOCXBDSA-N 1 0 348.418 2.866 10 10 EFCERO COC(=O)c1c(C[N@@H+]2CCC[C@@H](CO)CC2)c2cc(F)ccc2n1C ZINC000894866173 722918248 /nfs/dbraw/zinc/91/82/48/722918248.db2.gz KGVLGRKCHZSASE-CYBMUJFWSA-N 1 0 348.418 2.698 10 10 EFCERO COCC[C@@H](C)C[NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894991573 723044028 /nfs/dbraw/zinc/04/40/28/723044028.db2.gz SKZYCGSRMAKDBC-GFCCVEGCSA-N 1 0 336.407 2.866 10 10 EFCERO COC(=O)c1c(C[NH2+][C@@H]2CCC[C@H](CO)C2)c2cc(F)ccc2n1C ZINC000895015527 723050859 /nfs/dbraw/zinc/05/08/59/723050859.db2.gz XBCKTLOIHFMCLL-GXTWGEPZSA-N 1 0 348.418 2.745 10 10 EFCERO c1nc2c([nH]1)C1(CCC1)[N@H+](Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000895067995 723164699 /nfs/dbraw/zinc/16/46/99/723164699.db2.gz CXGZCJAZIGHYBA-UHFFFAOYSA-N 1 0 338.455 2.684 10 10 EFCERO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000896749118 723461829 /nfs/dbraw/zinc/46/18/29/723461829.db2.gz PIQKRWJREHTHGT-GFCCVEGCSA-N 1 0 334.441 2.869 10 10 EFCERO CN(C)c1ccc(CNC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)cc1 ZINC000727161226 723848262 /nfs/dbraw/zinc/84/82/62/723848262.db2.gz SCKRJYNGKUINML-UHFFFAOYSA-N 1 0 336.399 2.655 10 10 EFCERO COc1ccc(N2CC[C@H]([NH2+]Cc3cnc4onc(C)c4c3)C2)cc1 ZINC000895228801 723891003 /nfs/dbraw/zinc/89/10/03/723891003.db2.gz QKXVQVBRYWPIPW-HNNXBMFYSA-N 1 0 338.411 2.908 10 10 EFCERO COc1ccc(N2CC[C@@H]([NH2+]Cc3cnc4onc(C)c4c3)C2)cc1 ZINC000895228802 723891060 /nfs/dbraw/zinc/89/10/60/723891060.db2.gz QKXVQVBRYWPIPW-OAHLLOKOSA-N 1 0 338.411 2.908 10 10 EFCERO CCn1nccc1CNCc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000895360797 724073122 /nfs/dbraw/zinc/07/31/22/724073122.db2.gz UXRYAUWABNVKOO-UHFFFAOYSA-N 1 0 344.390 2.610 10 10 EFCERO COc1cc(C)cc(CN2Cc3ccccc3N(C)C(=O)C2)c1O ZINC000895393939 724108873 /nfs/dbraw/zinc/10/88/73/724108873.db2.gz QDUAARTUMGLMLI-UHFFFAOYSA-N 1 0 326.396 2.688 10 10 EFCERO CC(C)[NH+]1CCC(NC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000895522856 724183749 /nfs/dbraw/zinc/18/37/49/724183749.db2.gz YIECQSBHNKWBES-UHFFFAOYSA-N 1 0 334.441 2.915 10 10 EFCERO COc1cc(Cl)cc(C[NH2+]C[C@@H](CO)Cc2ccoc2)c1O ZINC000895591100 724218025 /nfs/dbraw/zinc/21/80/25/724218025.db2.gz IZTMVJOLWMLRHT-LBPRGKRZSA-N 1 0 325.792 2.588 10 10 EFCERO C[C@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)[C@H]1CC1(F)F ZINC000895813403 724328508 /nfs/dbraw/zinc/32/85/08/724328508.db2.gz KABDOENENFAMSU-BLLLJJGKSA-N 1 0 337.414 2.522 10 10 EFCERO COc1cc(C)cc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)[C@@H]3C)O2)c1O ZINC000895819904 724331608 /nfs/dbraw/zinc/33/16/08/724331608.db2.gz LPRXETXCBJYBSD-IWKLRQMXSA-N 1 0 335.444 2.771 10 10 EFCERO Fc1cc(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)ccc1N1CCOCC1 ZINC000895845902 724347525 /nfs/dbraw/zinc/34/75/25/724347525.db2.gz PRYRZDJNHRYXGP-QFBILLFUSA-N 1 0 334.435 2.663 10 10 EFCERO COC[C@H]([NH2+]Cc1ccc(Br)cc1O)[C@H]1CCCOC1 ZINC000895859157 724355594 /nfs/dbraw/zinc/35/55/94/724355594.db2.gz MYOPJZZQUZXPKE-JSGCOSHPSA-N 1 0 344.249 2.686 10 10 EFCERO O=C(NCc1c(O)cccc1F)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000913892150 725927359 /nfs/dbraw/zinc/92/73/59/725927359.db2.gz JIQOTRQAHDWPCJ-HNNXBMFYSA-N 1 0 343.402 2.605 10 10 EFCERO CC[NH+](CC)[C@H](C)CNC(=O)NCCCSc1nccs1 ZINC000152151789 725964097 /nfs/dbraw/zinc/96/40/97/725964097.db2.gz BMINZPGZUCWFID-GFCCVEGCSA-N 1 0 330.523 2.655 10 10 EFCERO C[NH+](C)[C@@H](CNC(=O)NCc1c(O)cccc1F)c1ccc(F)cc1 ZINC000914271609 726209433 /nfs/dbraw/zinc/20/94/33/726209433.db2.gz XBSLFJDPZGSKCJ-INIZCTEOSA-N 1 0 349.381 2.773 10 10 EFCERO C[NH+](C)CCCCCCCNC(=O)NCc1c(O)cccc1F ZINC000914401167 726278321 /nfs/dbraw/zinc/27/83/21/726278321.db2.gz DKZBAQPMVJZYLS-UHFFFAOYSA-N 1 0 325.428 2.843 10 10 EFCERO Cc1cc(Br)cc(CN2C[C@H]([NH+](C)C)[C@@H](C)C2)c1O ZINC000226408581 728242101 /nfs/dbraw/zinc/24/21/01/728242101.db2.gz HYISTEURTXPFJQ-FZMZJTMJSA-N 1 0 327.266 2.845 10 10 EFCERO Cc1cc(Br)cc(CN2C[C@@H](C)[C@@H]([NH+](C)C)C2)c1O ZINC000226408574 728242250 /nfs/dbraw/zinc/24/22/50/728242250.db2.gz HYISTEURTXPFJQ-RISCZKNCSA-N 1 0 327.266 2.845 10 10 EFCERO Cc1cc(O)c(C[NH+]2CCN(c3cccnn3)CC2)cc1C(C)C ZINC000170638933 728459618 /nfs/dbraw/zinc/45/96/18/728459618.db2.gz BRXMHCRUNORONR-UHFFFAOYSA-N 1 0 326.444 2.936 10 10 EFCERO FC(F)Oc1ccc(N2CCC[C@@H]([NH2+]Cc3cncnc3)C2)cc1 ZINC000174622251 728679079 /nfs/dbraw/zinc/67/90/79/728679079.db2.gz ZXVBONLKHXAHLP-CQSZACIVSA-N 1 0 334.370 2.837 10 10 EFCERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000069632428 729087910 /nfs/dbraw/zinc/08/79/10/729087910.db2.gz JSMBATSXCYGTHE-CQSZACIVSA-N 1 0 336.455 2.565 10 10 EFCERO CC(C)[NH+](CCCNC(=O)NCc1c(O)cccc1F)C(C)C ZINC000921149876 729264817 /nfs/dbraw/zinc/26/48/17/729264817.db2.gz AYVLBJHDEOJIBT-UHFFFAOYSA-N 1 0 325.428 2.839 10 10 EFCERO CC(=O)c1cc(F)cc(C[NH2+][C@](C)(CO)Cc2ccccc2F)c1O ZINC000933436025 1126140708 /nfs/dbraw/zinc/14/07/08/1126140708.db2.gz UBMHVDLXAAWJBB-IBGZPJMESA-N 1 0 349.377 2.956 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)C[C@H]3CCCCO3)CC2)cc1C ZINC001569394710 1085176545 /nfs/dbraw/zinc/17/65/45/1085176545.db2.gz PHEFGQKLXXKTFT-QGZVFWFLSA-N 1 0 346.471 2.701 10 10 EFCERO CCc1nc(C(=O)NCC2([NH2+]Cc3ccc(OC)c(C)c3)CC2)co1 ZINC001569396566 1085178641 /nfs/dbraw/zinc/17/86/41/1085178641.db2.gz ISBSCXGGXNCIBV-UHFFFAOYSA-N 1 0 343.427 2.606 10 10 EFCERO CC/C(C)=C\C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001570138808 1085974065 /nfs/dbraw/zinc/97/40/65/1085974065.db2.gz COMCUDPQWNPXOU-QWSHFYNQSA-N 1 0 346.471 2.677 10 10 EFCERO CC/C(C)=C/C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001570138809 1085974902 /nfs/dbraw/zinc/97/49/02/1085974902.db2.gz COMCUDPQWNPXOU-SPQRHKFCSA-N 1 0 346.471 2.677 10 10 EFCERO CCn1nccc1C(=O)NCC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001570458827 1086255109 /nfs/dbraw/zinc/25/51/09/1086255109.db2.gz VPAXUFPOCCCTCS-HNNXBMFYSA-N 1 0 344.459 2.518 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2ccsn2)cc1C ZINC001570611063 1086406232 /nfs/dbraw/zinc/40/62/32/1086406232.db2.gz NUQSCRFPHHOCIX-CHWSQXEVSA-N 1 0 333.457 2.757 10 10 EFCERO CCc1n[nH]cc1C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001570613669 1086409036 /nfs/dbraw/zinc/40/90/36/1086409036.db2.gz DJIDHDFNYVFEAI-ZIAGYGMSSA-N 1 0 344.459 2.586 10 10 EFCERO CCC[NH2+]CC(C)(C)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001570690879 1086462558 /nfs/dbraw/zinc/46/25/58/1086462558.db2.gz GMFBGBRWOPPIJF-UHFFFAOYSA-N 1 0 333.436 2.947 10 10 EFCERO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)c2cc(C)n[nH]2)cc1C ZINC001571231725 1086682462 /nfs/dbraw/zinc/68/24/62/1086682462.db2.gz HZRGKIBVMWJFRG-CQSZACIVSA-N 1 0 344.459 2.723 10 10 EFCERO COC1(c2nccn2C)CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC001648214366 1089961809 /nfs/dbraw/zinc/96/18/09/1089961809.db2.gz PJXOZVJKYTWALG-UHFFFAOYSA-N 1 0 328.460 2.624 10 10 EFCERO CN1CCCc2cc(CNC(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)ccc21 ZINC001583627675 1092052200 /nfs/dbraw/zinc/05/22/00/1092052200.db2.gz COAMNAFMLWWXKQ-MSOLQXFVSA-N 1 0 329.488 2.806 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)C(C)(C)C(F)F)cc1C ZINC001266969824 1092215533 /nfs/dbraw/zinc/21/55/33/1092215533.db2.gz FYBVZCFNLPSFQO-LBPRGKRZSA-N 1 0 328.403 2.889 10 10 EFCERO Cc1cccc(O)c1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001648478274 1092222279 /nfs/dbraw/zinc/22/22/79/1092222279.db2.gz XLYUASQYPCBSCX-QGZVFWFLSA-N 1 0 341.455 2.799 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2nc(C)oc2C)cc1C ZINC001266980604 1092235448 /nfs/dbraw/zinc/23/54/48/1092235448.db2.gz AJAHRZLALNSZIY-LBPRGKRZSA-N 1 0 331.416 2.517 10 10 EFCERO CC(=O)c1cc(F)cc(C[NH+]2CCC(c3cncn3C)CC2)c1O ZINC001648644266 1092243699 /nfs/dbraw/zinc/24/36/99/1092243699.db2.gz FPAIFDGSIWQIBI-UHFFFAOYSA-N 1 0 331.391 2.847 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)[C@H](C)c2cccnc2)cc1C ZINC001266992407 1092272788 /nfs/dbraw/zinc/27/27/88/1092272788.db2.gz HRLFYTWNGAMRFR-MRXNPFEDSA-N 1 0 341.455 2.750 10 10 EFCERO CC[N@H+](CCNC(=O)C1CC1)Cc1cc(Br)ccc1O ZINC001167512099 1092540802 /nfs/dbraw/zinc/54/08/02/1092540802.db2.gz IHOUCFWFUARJRO-UHFFFAOYSA-N 1 0 341.249 2.503 10 10 EFCERO CC[NH+](CC)Cc1ccc(CNC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001587500611 1092818002 /nfs/dbraw/zinc/81/80/02/1092818002.db2.gz BHMGPFFUDJQIOO-UHFFFAOYSA-N 1 0 342.439 2.799 10 10 EFCERO Cc1cc(Br)cc(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)c1O ZINC000690797456 1094461484 /nfs/dbraw/zinc/46/14/84/1094461484.db2.gz AKWDPLQITPZEGZ-DGCLKSJQSA-N 1 0 326.234 2.931 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)C[C@H]2CC(C)(C)CO2)cc1C ZINC001267401197 1094472447 /nfs/dbraw/zinc/47/24/47/1094472447.db2.gz HMMGAZMMIURNSW-KRWDZBQOSA-N 1 0 348.487 2.757 10 10 EFCERO CCc1nc(C)c(C(=O)N(C)CC[NH2+]Cc2ccc(OC)c(C)c2)o1 ZINC001267451901 1094541207 /nfs/dbraw/zinc/54/12/07/1094541207.db2.gz WHJPTMKRYQSRSA-UHFFFAOYSA-N 1 0 345.443 2.724 10 10 EFCERO O=C(Cc1ccc(O)c(O)c1)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC001597499410 1094592491 /nfs/dbraw/zinc/59/24/91/1094592491.db2.gz MDJRZOYZJDXRSW-UHFFFAOYSA-N 1 0 340.423 2.917 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C2CC(F)(F)C2)cc1C ZINC001268055424 1095044900 /nfs/dbraw/zinc/04/49/00/1095044900.db2.gz AYEYOGWZMCZBDY-CYBMUJFWSA-N 1 0 340.414 2.985 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](OC)C2CCC2)cc1C ZINC001268075964 1095183758 /nfs/dbraw/zinc/18/37/58/1095183758.db2.gz OWJCLEDLCHVQBQ-BEFAXECRSA-N 1 0 348.487 2.755 10 10 EFCERO C[C@H](C[NH2+]CC[C@H](C)F)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001268098083 1095348247 /nfs/dbraw/zinc/34/82/47/1095348247.db2.gz NZVQFLPEYSUUOT-NWDGAFQWSA-N 1 0 337.399 2.647 10 10 EFCERO COc1ccc(C[NH2+][C@H]2CCN(C(=O)COC(C)C)C[C@@H]2C)cc1C ZINC001268128759 1095437214 /nfs/dbraw/zinc/43/72/14/1095437214.db2.gz NGWXAMVKCLWXOI-WMZOPIPTSA-N 1 0 348.487 2.755 10 10 EFCERO C[N@H+](CCCF)C[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001267597380 1096132073 /nfs/dbraw/zinc/13/20/73/1096132073.db2.gz WHMIFYPGZFKCNE-CYBMUJFWSA-N 1 0 349.410 2.603 10 10 EFCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)C(=O)C(C)(C)C)cc1C ZINC001268350819 1096374381 /nfs/dbraw/zinc/37/43/81/1096374381.db2.gz QZTQOGPCFYUOPG-CQSZACIVSA-N 1 0 334.460 2.603 10 10 EFCERO CCn1nccc1C(=O)N[C@H](C)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001268357597 1096386751 /nfs/dbraw/zinc/38/67/51/1096386751.db2.gz RZGXECTUEQVTQU-OAHLLOKOSA-N 1 0 344.459 2.518 10 10 EFCERO CCc1n[nH]cc1C(=O)NC[C@H](CC)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001481828649 1096753147 /nfs/dbraw/zinc/75/31/47/1096753147.db2.gz WNXCGKPPYSCKCN-HNNXBMFYSA-N 1 0 344.459 2.587 10 10 EFCERO CC(C)C[C@H](C)C[NH+]1CC(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001268491807 1096961540 /nfs/dbraw/zinc/96/15/40/1096961540.db2.gz MDEJERWKMZHZKE-ZDUSSCGKSA-N 1 0 345.447 2.945 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)CCc2cc(C)on2)cc1C ZINC001268662428 1097515862 /nfs/dbraw/zinc/51/58/62/1097515862.db2.gz KMXSJFJZWUTLAZ-CQSZACIVSA-N 1 0 345.443 2.527 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2c(C)nsc2C)cc1C ZINC001268673343 1097524297 /nfs/dbraw/zinc/52/42/97/1097524297.db2.gz CIAVQCFGOMQZRL-GFCCVEGCSA-N 1 0 347.484 2.985 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2c(C)noc2C)cc1C ZINC001268679822 1097533038 /nfs/dbraw/zinc/53/30/38/1097533038.db2.gz SDHQKSRZXUVQHA-LBPRGKRZSA-N 1 0 331.416 2.517 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H](C)n2cccc2)cc1C ZINC001268681755 1097535370 /nfs/dbraw/zinc/53/53/70/1097535370.db2.gz JDEGUSNYCDCQIR-HOTGVXAUSA-N 1 0 329.444 2.661 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H](C)c2ccco2)cc1C ZINC001268702759 1097554236 /nfs/dbraw/zinc/55/42/36/1097554236.db2.gz KZRSJDLOMYNECZ-LSDHHAIUSA-N 1 0 330.428 2.995 10 10 EFCERO COc1ccc(C[NH2+]CCCN(C)C(=O)CC(C)(F)F)cc1C ZINC001268839801 1097678255 /nfs/dbraw/zinc/67/82/55/1097678255.db2.gz NAEURCXTWPXGJD-UHFFFAOYSA-N 1 0 328.403 2.987 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)COC(C)C)CCCC2)cc1C ZINC001482214172 1098065523 /nfs/dbraw/zinc/06/55/23/1098065523.db2.gz LIRQRISQBXDTFF-UHFFFAOYSA-N 1 0 348.487 2.947 10 10 EFCERO CC[C@@H](CNC(=O)c1cscn1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001269377053 1098096127 /nfs/dbraw/zinc/09/61/27/1098096127.db2.gz APDWLPMGXBSEMI-AWEZNQCLSA-N 1 0 333.457 2.758 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C(=O)C(C)(C)C)cc1C ZINC001482264943 1098693533 /nfs/dbraw/zinc/69/35/33/1098693533.db2.gz CZXVRJMDSMWZDK-AWEZNQCLSA-N 1 0 334.460 2.555 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)/C=C\c2ccc[nH]2)cc1C ZINC001482275117 1098866693 /nfs/dbraw/zinc/86/66/93/1098866693.db2.gz GHEDKHVZGQRIJM-SIJIIQCFSA-N 1 0 341.455 2.982 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)cc1 ZINC001611363519 1099004123 /nfs/dbraw/zinc/00/41/23/1099004123.db2.gz AKAFJKXESFFAEP-UHFFFAOYSA-N 1 0 335.327 2.682 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2ccc(F)nc2)cc1C ZINC001270372704 1099020708 /nfs/dbraw/zinc/02/07/08/1099020708.db2.gz XVEQMGTWFLVURB-ZDUSSCGKSA-N 1 0 345.418 2.693 10 10 EFCERO CN(C)c1ccc(C[N@H+](CC[S@@](=O)C(F)(F)F)C2CC2)cc1 ZINC001615219862 1099154532 /nfs/dbraw/zinc/15/45/32/1099154532.db2.gz SBJLIYZGBAOYDM-JOCHJYFZSA-N 1 0 334.407 2.986 10 10 EFCERO CCc1ccnc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC001616858351 1099197482 /nfs/dbraw/zinc/19/74/82/1099197482.db2.gz KZFRWBSPJFTRLN-LJQANCHMSA-N 1 0 340.471 2.743 10 10 EFCERO C[C@@H]1C[C@H]([NH2+]CCCF)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001671256745 1099200622 /nfs/dbraw/zinc/20/06/22/1099200622.db2.gz JUOXHNFAZZFXTQ-IUODEOHRSA-N 1 0 349.410 2.791 10 10 EFCERO CC[C@H](CNC(=O)[C@@H]1CCO[C@H]1CC)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267812652 1099378890 /nfs/dbraw/zinc/37/88/90/1099378890.db2.gz DFAFFJUIYBOEDV-KURKYZTESA-N 1 0 348.487 2.803 10 10 EFCERO CN(Cc1ccc(N2CCCC2)cc1)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC001623549940 1099600956 /nfs/dbraw/zinc/60/09/56/1099600956.db2.gz NPWLRKVQRSRUDT-SFHVURJKSA-N 1 0 347.528 2.683 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2ncccc2F)cc1C ZINC001482342447 1099698463 /nfs/dbraw/zinc/69/84/63/1099698463.db2.gz BNJLRESJNZGGMO-CQSZACIVSA-N 1 0 345.418 2.788 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@]2(C)CCCOC2)cc1C ZINC001482346466 1099729898 /nfs/dbraw/zinc/72/98/98/1099729898.db2.gz BISPEICNHISEDH-OXQOHEQNSA-N 1 0 348.487 2.757 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3CCCO3)CCCC2)cc1C ZINC001268032524 1099790817 /nfs/dbraw/zinc/79/08/17/1099790817.db2.gz MNIZOBCEDIBFEN-SFHVURJKSA-N 1 0 346.471 2.701 10 10 EFCERO CN(C)c1ccc(CN(C(=O)CC[N@@H+]2CC[C@@H](F)C2)C2CC2)cc1 ZINC001629697272 1100238125 /nfs/dbraw/zinc/23/81/25/1100238125.db2.gz APWKMQIXILWWTI-MRXNPFEDSA-N 1 0 333.451 2.678 10 10 EFCERO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC001636267471 1100710496 /nfs/dbraw/zinc/71/04/96/1100710496.db2.gz PZJOXRASYWLKLJ-IRXDYDNUSA-N 1 0 346.519 2.776 10 10 EFCERO CN(C)c1ccc([C@@H](CNC(=O)c2cc(Cl)cn2C)[NH+](C)C)cc1 ZINC001637004702 1100750120 /nfs/dbraw/zinc/75/01/20/1100750120.db2.gz LZFBSTCXCWBWBJ-QGZVFWFLSA-N 1 0 348.878 2.777 10 10 EFCERO C[NH+](C)Cc1ccsc1C(=O)NCc1ccc2cccnc2c1O ZINC001638573219 1100870822 /nfs/dbraw/zinc/87/08/22/1100870822.db2.gz NNFAHGQQIKVAJR-UHFFFAOYSA-N 1 0 341.436 2.994 10 10 EFCERO C[NH+](C)Cc1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c(F)c1 ZINC001639071050 1100910340 /nfs/dbraw/zinc/91/03/40/1100910340.db2.gz OJTJJEHVZNJRFU-VMPITWQZSA-N 1 0 330.359 2.950 10 10 EFCERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001642997401 1101263140 /nfs/dbraw/zinc/26/31/40/1101263140.db2.gz AMDLBSVSZTYLAG-VQIMIIECSA-N 1 0 331.504 2.983 10 10 EFCERO COC(=O)/C=C\c1ccc(N(C)CC(C)(C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC001651495194 1101337655 /nfs/dbraw/zinc/33/76/55/1101337655.db2.gz OYZFIDXDLLFLLA-NTMALXAHSA-N 1 0 349.431 2.805 10 10 EFCERO CCOCC1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)CC1 ZINC001266601521 1101363735 /nfs/dbraw/zinc/36/37/35/1101363735.db2.gz FSAIBNBVKMYTBV-QAQDUYKDSA-N 1 0 346.471 2.557 10 10 EFCERO c1cn(-c2ccccc2C[NH2+]Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000067250323 1101508024 /nfs/dbraw/zinc/50/80/24/1101508024.db2.gz KFOAHMZFLSTELE-UHFFFAOYSA-N 1 0 348.450 2.999 10 10 EFCERO CC[C@H](CCO)[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848529717 1101515584 /nfs/dbraw/zinc/51/55/84/1101515584.db2.gz WXPQWTQJYMAYLK-GXSJLCMTSA-N 1 0 332.238 2.975 10 10 EFCERO C[C@H](CN1CCOCC1)C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC001653190073 1101595030 /nfs/dbraw/zinc/59/50/30/1101595030.db2.gz DIQPOMWREDIDQE-QGZVFWFLSA-N 1 0 331.504 2.685 10 10 EFCERO CC(C)n1ccnc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001653421329 1101620579 /nfs/dbraw/zinc/62/05/79/1101620579.db2.gz LLUADSSEOQJZKY-KRWDZBQOSA-N 1 0 343.475 2.563 10 10 EFCERO COc1ccc(N(C)CC[N@H+](C)Cc2cccc(N(C)C)n2)cc1 ZINC001654947039 1101771495 /nfs/dbraw/zinc/77/14/95/1101771495.db2.gz HILFMJTZDQCGTL-UHFFFAOYSA-N 1 0 328.460 2.724 10 10 EFCERO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](C3CCC3)C2)cc1 ZINC001655118249 1101786144 /nfs/dbraw/zinc/78/61/44/1101786144.db2.gz JWXATTJCVTXTNH-GOSISDBHSA-N 1 0 329.488 2.881 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CC(F)(F)F)C2)cc1C ZINC001266672370 1101797138 /nfs/dbraw/zinc/79/71/38/1101797138.db2.gz VVLDIISXLFJQQR-BETUJISGSA-N 1 0 330.350 2.693 10 10 EFCERO COC[C@@]1(C(=O)OC(C)(C)C)CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC001655292386 1101806364 /nfs/dbraw/zinc/80/63/64/1101806364.db2.gz JDTVGZGPWVUOGC-HXUWFJFHSA-N 1 0 348.487 2.933 10 10 EFCERO CC[C@@H](C)OCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001266678684 1101856758 /nfs/dbraw/zinc/85/67/58/1101856758.db2.gz LJBWNMFLDFGSGR-OIISXLGYSA-N 1 0 334.460 2.556 10 10 EFCERO C[NH+](C)Cc1cc(CNC(=O)/C=C\c2ccc(O)c(O)c2)ccc1F ZINC000588407948 1101989452 /nfs/dbraw/zinc/98/94/52/1101989452.db2.gz DLEUYRJEZLNTKV-YVMONPNESA-N 1 0 344.386 2.628 10 10 EFCERO COc1ccc(C[NH2+][C@@H](CNC(=O)[C@@H](F)C(C)C)C2CC2)cc1C ZINC001266427031 1102005072 /nfs/dbraw/zinc/00/50/72/1102005072.db2.gz SXJJVOYVKAPKKQ-WMZOPIPTSA-N 1 0 336.451 2.982 10 10 EFCERO COc1ccc(C[NH2+][C@H](CNC(=O)[C@H](F)C(C)C)C2CC2)cc1C ZINC001266427030 1102006128 /nfs/dbraw/zinc/00/61/28/1102006128.db2.gz SXJJVOYVKAPKKQ-SJLPKXTDSA-N 1 0 336.451 2.982 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)NC[C@@H]([NH2+]CC2CCC2)C2CC2)cc1 ZINC001266445511 1102104126 /nfs/dbraw/zinc/10/41/26/1102104126.db2.gz SLYYWFNNQRSPLG-MRXNPFEDSA-N 1 0 343.431 2.747 10 10 EFCERO CC[NH2+]CC[C@H]1CCCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001271615060 1102170776 /nfs/dbraw/zinc/17/07/76/1102170776.db2.gz FLSLEKJGDUTZFD-OAHLLOKOSA-N 1 0 331.420 2.843 10 10 EFCERO c1cc2c(cc1C[NH2+][C@@H]1CCCC[C@H]1N1CCOCC1)CCCO2 ZINC001656709638 1102178567 /nfs/dbraw/zinc/17/85/67/1102178567.db2.gz DDYSCDQNQCFARB-RTBURBONSA-N 1 0 330.472 2.745 10 10 EFCERO CCOC(=O)CN(CC[N@H+]1C[C@H](C)C[C@H](C)C1)Cc1ccccc1O ZINC001659100847 1102517297 /nfs/dbraw/zinc/51/72/97/1102517297.db2.gz UERBZURFAUVNRM-CALCHBBNSA-N 1 0 348.487 2.735 10 10 EFCERO CCOC(=O)CN(CC[NH+]1C[C@@H](C)C[C@H](C)C1)Cc1ccccc1O ZINC001659100849 1102517973 /nfs/dbraw/zinc/51/79/73/1102517973.db2.gz UERBZURFAUVNRM-IRXDYDNUSA-N 1 0 348.487 2.735 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)Cc2cccs2)cc1C ZINC001266920718 1102693098 /nfs/dbraw/zinc/69/30/98/1102693098.db2.gz XGLVUAWMRDWPIP-AWEZNQCLSA-N 1 0 332.469 2.902 10 10 EFCERO COc1ccc(C[NH2+][C@H](CNC(=O)c2ccccn2)C(C)C)cc1C ZINC001271800912 1102717183 /nfs/dbraw/zinc/71/71/83/1102717183.db2.gz VKQRYAICZIVMIK-GOSISDBHSA-N 1 0 341.455 2.943 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)Cc2ccncc2C)cc1C ZINC001266939590 1102736333 /nfs/dbraw/zinc/73/63/33/1102736333.db2.gz KOZMZLMECAGOMQ-INIZCTEOSA-N 1 0 341.455 2.544 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)CCc2ccncc2)cc1C ZINC001266948203 1102754231 /nfs/dbraw/zinc/75/42/31/1102754231.db2.gz HHMOMFWDPVIBBO-INIZCTEOSA-N 1 0 341.455 2.626 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2cc(Cl)cn2C)cc1C ZINC001266957550 1102776265 /nfs/dbraw/zinc/77/62/65/1102776265.db2.gz YNTVGTISTMFFOG-CYBMUJFWSA-N 1 0 349.862 2.904 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)C[C@@H]2CC(C)(C)CO2)cc1C ZINC001483248136 1103146464 /nfs/dbraw/zinc/14/64/64/1103146464.db2.gz NFMZBKQBOHSDPG-DOTOQJQBSA-N 1 0 348.487 2.803 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2cc(C3CC3)on2)cc1C ZINC001483253308 1103163910 /nfs/dbraw/zinc/16/39/10/1103163910.db2.gz WJLMOZZOGVCTGT-ZDUSSCGKSA-N 1 0 343.427 2.777 10 10 EFCERO CCCc1nc(C(=O)N[C@@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)co1 ZINC001483283320 1103241376 /nfs/dbraw/zinc/24/13/76/1103241376.db2.gz OBFCYESNCLDMMI-AWEZNQCLSA-N 1 0 345.443 2.852 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CC[C@@H]3CCOC3)C2)cc1C ZINC001661585797 1103331406 /nfs/dbraw/zinc/33/14/06/1103331406.db2.gz LKYAVCDXSFGHJT-NXHRZFHOSA-N 1 0 346.471 2.557 10 10 EFCERO Oc1cc2c(cc1C[N@@H+]1CC[C@]3(CC(F)(F)C3(F)F)C1)[C@@H](O)CO2 ZINC000905678819 1103495072 /nfs/dbraw/zinc/49/50/72/1103495072.db2.gz RBCQQAXFYYNYQW-JSGCOSHPSA-N 1 0 347.308 2.684 10 10 EFCERO COCCCC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001661904701 1103499019 /nfs/dbraw/zinc/49/90/19/1103499019.db2.gz QJAROCHIRXDDIZ-SFHVURJKSA-N 1 0 348.487 2.901 10 10 EFCERO COc1cc(O)c(C[N@@H+]2CCC[C@H](c3ccn(C)n3)C2)cc1OC ZINC000905715567 1103528108 /nfs/dbraw/zinc/52/81/08/1103528108.db2.gz IEYQENLAIJOGRZ-ZDUSSCGKSA-N 1 0 331.416 2.523 10 10 EFCERO CC(C)[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CCC1CC1 ZINC001482571798 1103708087 /nfs/dbraw/zinc/70/80/87/1103708087.db2.gz OTUGQWQJQFHXPG-MRXNPFEDSA-N 1 0 345.447 2.993 10 10 EFCERO CCc1cc(C(=O)N(C)CCC[NH2+]Cc2ccc(OC)c(C)c2)[nH]n1 ZINC001483453439 1103747275 /nfs/dbraw/zinc/74/72/75/1103747275.db2.gz FTSLEBDYKIWMFB-UHFFFAOYSA-N 1 0 344.459 2.541 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](NC(=O)c2nccs2)C2CC2)cc1C ZINC001483595708 1104037349 /nfs/dbraw/zinc/03/73/49/1104037349.db2.gz ZRPGFWQWEOLEAD-HNNXBMFYSA-N 1 0 345.468 2.758 10 10 EFCERO C[N@H+](CCNC(=O)c1ccc(N=NC(N)=O)cc1)Cc1ccsc1 ZINC001663341876 1104063417 /nfs/dbraw/zinc/06/34/17/1104063417.db2.gz ALVQUDITDCARAO-UHFFFAOYSA-N 1 0 345.428 2.772 10 10 EFCERO C[C@@H](F)CC[N@H+](CCNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001663777807 1104211086 /nfs/dbraw/zinc/21/10/86/1104211086.db2.gz VQPWGVMNGIDDSM-GFCCVEGCSA-N 1 0 349.410 2.791 10 10 EFCERO C[C@H]([NH3+])c1ccc(CNC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000841653172 1104318572 /nfs/dbraw/zinc/31/85/72/1104318572.db2.gz HRPLCXZLNYVALP-AWEZNQCLSA-N 1 0 326.444 2.772 10 10 EFCERO C[C@@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1ccc(Cl)cc1O ZINC000841755573 1104822234 /nfs/dbraw/zinc/82/22/34/1104822234.db2.gz JIQULXQIVCSDKA-DGCLKSJQSA-N 1 0 346.880 2.510 10 10 EFCERO COCCC(=O)N1CCC(CC[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001666177202 1104895742 /nfs/dbraw/zinc/89/57/42/1104895742.db2.gz PCBKICPUDXNTMS-UHFFFAOYSA-N 1 0 348.487 2.758 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)c3cnco3)CCCC2)cc1C ZINC001666778912 1104996404 /nfs/dbraw/zinc/99/64/04/1104996404.db2.gz WCLSDHXNIUMXLM-UHFFFAOYSA-N 1 0 343.427 2.824 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)c2nocc2C)cc1C ZINC001667029898 1105039851 /nfs/dbraw/zinc/03/98/51/1105039851.db2.gz ZMKZNYQEXHEHOP-AWEZNQCLSA-N 1 0 331.416 2.550 10 10 EFCERO CCOCC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001667312447 1105114825 /nfs/dbraw/zinc/11/48/25/1105114825.db2.gz KUEIVXXLUUYPRB-SJLPKXTDSA-N 1 0 348.487 2.757 10 10 EFCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)c2ccncc2)cc1C ZINC001667953285 1105211163 /nfs/dbraw/zinc/21/11/63/1105211163.db2.gz MQHFUFXZPMFDQK-HNNXBMFYSA-N 1 0 327.428 2.697 10 10 EFCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)c2csnc2C)cc1C ZINC001668785482 1105370492 /nfs/dbraw/zinc/37/04/92/1105370492.db2.gz BXBRDCABMALKFY-SNAWJCMRSA-N 1 0 345.468 2.844 10 10 EFCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H](C)n2cccc2)cc1C ZINC001668780162 1105370711 /nfs/dbraw/zinc/37/07/11/1105370711.db2.gz OTRGTAYVKSGYCZ-LAQIPUCWSA-N 1 0 341.455 2.828 10 10 EFCERO CCc1nc(C(=O)NC/C=C/C[NH2+]Cc2ccc(OC)c(C)c2)co1 ZINC001668786485 1105371940 /nfs/dbraw/zinc/37/19/40/1105371940.db2.gz NDVSWHVCONRLIW-AATRIKPKSA-N 1 0 343.427 2.630 10 10 EFCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)c2c(C)ccn2C)cc1C ZINC001668790313 1105373240 /nfs/dbraw/zinc/37/32/40/1105373240.db2.gz CTCGIJNBMZQKGX-WAYWQWQTSA-N 1 0 341.455 2.726 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)NC/C=C\C[NH2+]CC2CCCC2)cc1 ZINC001669212788 1105459038 /nfs/dbraw/zinc/45/90/38/1105459038.db2.gz DAXJKDJCCOSGSH-VCYPFOMVSA-N 1 0 343.431 2.915 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2ccc(C)nc2)cc1C ZINC001669246440 1105465417 /nfs/dbraw/zinc/46/54/17/1105465417.db2.gz UXZXCIDEFWSWDN-OAHLLOKOSA-N 1 0 327.428 2.615 10 10 EFCERO C[C@H](C[NH2+]CCC(C)(C)C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001669486027 1105488901 /nfs/dbraw/zinc/48/89/01/1105488901.db2.gz VSCHLHYGXRBIOA-GFCCVEGCSA-N 1 0 333.436 2.993 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)C[C@@H]2CCCCO2)cc1C ZINC001669535192 1105493872 /nfs/dbraw/zinc/49/38/72/1105493872.db2.gz GWWIABTULOYYMZ-RDJZCZTQSA-N 1 0 334.460 2.557 10 10 EFCERO CCc1[nH]ccc1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001669549146 1105495170 /nfs/dbraw/zinc/49/51/70/1105495170.db2.gz KLANJLWEEFSLTB-AWEZNQCLSA-N 1 0 329.444 2.802 10 10 EFCERO C[C@@H](C[NH2+]Cc1ccsc1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001669753134 1105515277 /nfs/dbraw/zinc/51/52/77/1105515277.db2.gz CGYMZYAMZACBIF-NSHDSACASA-N 1 0 345.428 2.819 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)N[C@H](C[NH2+]CCF)C2CCCC2)cc1 ZINC001671569197 1105660984 /nfs/dbraw/zinc/66/09/84/1105660984.db2.gz ANNJNYUFUXWIQH-OAHLLOKOSA-N 1 0 349.410 2.697 10 10 EFCERO COc1ccc(C[NH2+]CC[C@@H]2CCN(C(=O)COC(C)C)C2)cc1C ZINC001672749956 1105893513 /nfs/dbraw/zinc/89/35/13/1105893513.db2.gz CBDNKTNVKJHOHX-QGZVFWFLSA-N 1 0 348.487 2.757 10 10 EFCERO CC(C)C[NH2+]C1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CCC1 ZINC001673242054 1105988221 /nfs/dbraw/zinc/98/82/21/1105988221.db2.gz NCDLEBFBEKZPKB-UHFFFAOYSA-N 1 0 331.420 2.747 10 10 EFCERO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897751027 1106071538 /nfs/dbraw/zinc/07/15/38/1106071538.db2.gz UDMRVPYXMKROIV-LBPRGKRZSA-N 1 0 334.441 2.917 10 10 EFCERO CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000841988114 1106116629 /nfs/dbraw/zinc/11/66/29/1106116629.db2.gz KCYVEWGQFSBXGH-MAUKXSAKSA-N 1 0 332.492 2.672 10 10 EFCERO COc1ccc(N2CCN(C[C@H]3CC[C@H](C(F)(F)F)O3)CC2)cc1 ZINC000929153312 1106295408 /nfs/dbraw/zinc/29/54/08/1106295408.db2.gz YBXPXNWWNLGGJK-HZPDHXFCSA-N 1 0 344.377 2.927 10 10 EFCERO CC(C)=CC[N@@H+](C)[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001675055069 1106297371 /nfs/dbraw/zinc/29/73/71/1106297371.db2.gz WOEXYVCMEMQAJC-CYBMUJFWSA-N 1 0 331.420 2.865 10 10 EFCERO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)c2conc2C)cc1C ZINC001675965912 1106455781 /nfs/dbraw/zinc/45/57/81/1106455781.db2.gz FWLZVIMRCGOFMC-CQSZACIVSA-N 1 0 345.443 2.988 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H](C)CSC)cc1C ZINC001676318310 1106514489 /nfs/dbraw/zinc/51/44/89/1106514489.db2.gz KRRAJCSHNWUNCE-LSDHHAIUSA-N 1 0 338.517 2.939 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2ccncc2F)cc1C ZINC001676324563 1106515080 /nfs/dbraw/zinc/51/50/80/1106515080.db2.gz VULFBYAGNKARQT-AWEZNQCLSA-N 1 0 345.418 2.788 10 10 EFCERO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)C2CCCCCC2)cc1C ZINC001676511451 1106538259 /nfs/dbraw/zinc/53/82/59/1106538259.db2.gz SZXLIOVCABCGRM-GOSISDBHSA-N 1 0 348.487 2.541 10 10 EFCERO CCCOCC(=O)N1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@H]1C ZINC001676710048 1106563334 /nfs/dbraw/zinc/56/33/34/1106563334.db2.gz UAHAYIIPMROCKV-NVXWUHKLSA-N 1 0 334.460 2.509 10 10 EFCERO COCCCC(=O)N(C)C1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001677382037 1106710837 /nfs/dbraw/zinc/71/08/37/1106710837.db2.gz RTAHIRJVZWFKGA-UHFFFAOYSA-N 1 0 334.460 2.509 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2ccnn2C(C)C)cc1C ZINC001483231396 1107813143 /nfs/dbraw/zinc/81/31/43/1107813143.db2.gz YAAFLMUNFVROSX-HNNXBMFYSA-N 1 0 344.459 2.689 10 10 EFCERO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC[C@H]1CCCC[N@@H+]1C ZINC001682101676 1108569139 /nfs/dbraw/zinc/56/91/39/1108569139.db2.gz ULRCUQBZBGWCDC-QFBILLFUSA-N 1 0 346.519 2.776 10 10 EFCERO CC[C@@H]([NH2+]C[C@@H](O)c1ccnn1C)c1ccc(C(F)(F)F)cc1O ZINC000927132225 1108949664 /nfs/dbraw/zinc/94/96/64/1108949664.db2.gz UCRWORPVPKJUJT-IUODEOHRSA-N 1 0 343.349 2.919 10 10 EFCERO COc1ccc([C@@H]([NH2+]C(C)C)C(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000899174840 1109235350 /nfs/dbraw/zinc/23/53/50/1109235350.db2.gz ZZLMBOCUVMKWGK-LJQANCHMSA-N 1 0 340.423 2.982 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)Cc3ccco3)CC2)cc1C ZINC001483777384 1112425574 /nfs/dbraw/zinc/42/55/74/1112425574.db2.gz XGSVQEPWYUZOKT-UHFFFAOYSA-N 1 0 328.412 2.578 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)c3cc(Cl)no3)CC2)cc1C ZINC001483786939 1112449195 /nfs/dbraw/zinc/44/91/95/1112449195.db2.gz JPJNRVPDPRWFGP-UHFFFAOYSA-N 1 0 349.818 2.697 10 10 EFCERO CCCOCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@H]1C ZINC001483899094 1112540900 /nfs/dbraw/zinc/54/09/00/1112540900.db2.gz OITKZABZWUXPMC-SJLPKXTDSA-N 1 0 348.487 2.899 10 10 EFCERO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)[C@H]2CCCO2)cc1C ZINC001485710434 1118532006 /nfs/dbraw/zinc/53/20/06/1118532006.db2.gz JCKXULLJVNLCHQ-CRAIPNDOSA-N 1 0 334.460 2.557 10 10 EFCERO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)[C@@H]2CCCO2)cc1C ZINC001485710443 1118532280 /nfs/dbraw/zinc/53/22/80/1118532280.db2.gz JCKXULLJVNLCHQ-YJBOKZPZSA-N 1 0 334.460 2.557 10 10 EFCERO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)c2cocn2)cc1C ZINC001485714944 1118537937 /nfs/dbraw/zinc/53/79/37/1118537937.db2.gz PUFBXTNFTNQFGI-AWEZNQCLSA-N 1 0 331.416 2.680 10 10 EFCERO CC[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc(N(C)C)cc1 ZINC000178052588 529632485 /nfs/dbraw/zinc/63/24/85/529632485.db2.gz MFIJBZUQDUIUNY-SFHVURJKSA-N 1 0 336.443 2.969 10 10 EFCERO CN(C)c1ccc(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)cc1 ZINC000162632381 529780557 /nfs/dbraw/zinc/78/05/57/529780557.db2.gz UVNQYMYGVOEKGN-UHFFFAOYSA-N 1 0 329.488 2.977 10 10 EFCERO COc1cc(O)c(C[N@@H+]2CCC[C@H](n3cc(C)cn3)C2)cc1OC ZINC000160263444 239046631 /nfs/dbraw/zinc/04/66/31/239046631.db2.gz ZQFPOEHTSIAPDP-HNNXBMFYSA-N 1 0 331.416 2.751 10 10 EFCERO C[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1ccc(N(C)C)cc1 ZINC000166503152 239124860 /nfs/dbraw/zinc/12/48/60/239124860.db2.gz AIFMUGNWGSRHBB-DOTOQJQBSA-N 1 0 327.476 2.806 10 10 EFCERO CCn1cnnc1C1CC[NH+](Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000175654584 239280138 /nfs/dbraw/zinc/28/01/38/239280138.db2.gz FSOWIBXFNFDEKX-UHFFFAOYSA-N 1 0 346.406 2.725 10 10 EFCERO CCOc1cccc(C[N@@H+]2CCC[C@@H](c3nc(N(C)C)no3)C2)c1O ZINC000194943080 240192795 /nfs/dbraw/zinc/19/27/95/240192795.db2.gz OCBNPMUKEBODND-CQSZACIVSA-N 1 0 346.431 2.620 10 10 EFCERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000252443708 240306350 /nfs/dbraw/zinc/30/63/50/240306350.db2.gz NVRCEYADZFMRDT-LPHOPBHVSA-N 1 0 342.487 2.665 10 10 EFCERO C[C@H]([NH2+]C[C@@H]1C[C@@H](O)CN1Cc1ccccc1)c1ccccc1O ZINC000248383682 240288841 /nfs/dbraw/zinc/28/88/41/240288841.db2.gz AXSHFHJWRGMSMM-RYQLBKOJSA-N 1 0 326.440 2.678 10 10 EFCERO C[C@H]([NH2+][C@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1ccccc1O ZINC000248387769 240289661 /nfs/dbraw/zinc/28/96/61/240289661.db2.gz PWJZESALXKBREP-QRFRQXIXSA-N 1 0 340.467 2.926 10 10 EFCERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(N2CCOCC2)cc1 ZINC000248392776 240289682 /nfs/dbraw/zinc/28/96/82/240289682.db2.gz FVGHXKLKLOFSPL-ICSRJNTNSA-N 1 0 329.488 2.582 10 10 EFCERO COc1cc(O)c(C[N@@H+]2CCC3(C2)Oc2ccccc2O3)cc1OC ZINC000288426265 241011911 /nfs/dbraw/zinc/01/19/11/241011911.db2.gz CWZZFDSUJOIBGF-UHFFFAOYSA-N 1 0 343.379 2.783 10 10 EFCERO CCOC(=O)c1csc(CC[NH2+][C@H]2CCc3cccc(O)c32)n1 ZINC000296335741 241083939 /nfs/dbraw/zinc/08/39/39/241083939.db2.gz GPQGPXWDPCHWDS-LBPRGKRZSA-N 1 0 332.425 2.845 10 10 EFCERO Cc1cc(N2CCC[C@H]([NH2+][C@H]3CCc4cccc(O)c43)C2)n(C)n1 ZINC000296582543 241090690 /nfs/dbraw/zinc/09/06/90/241090690.db2.gz WBTHSLOJXWGHJI-HOTGVXAUSA-N 1 0 326.444 2.680 10 10 EFCERO CC[NH+]1CCN(c2ccc(CNC(=O)N3C[C@H](C)[C@@H]3C)cc2F)CC1 ZINC000297545530 241125848 /nfs/dbraw/zinc/12/58/48/241125848.db2.gz FICMASRHHOXDQW-GJZGRUSLSA-N 1 0 348.466 2.517 10 10 EFCERO CC[C@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1ccc(N(C)C)cc1 ZINC000367413257 242381211 /nfs/dbraw/zinc/38/12/11/242381211.db2.gz QQKJATIQNAQSLH-OALUTQOASA-N 1 0 345.487 2.573 10 10 EFCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2C[C@H]2C)C1 ZINC000444136481 250264375 /nfs/dbraw/zinc/26/43/75/250264375.db2.gz IMHRYNMBBAWCLM-RHSMWYFYSA-N 1 0 325.456 2.932 10 10 EFCERO COc1ccc(-n2c(C)cc(C(=O)N3CC[C@@H]([NH+](C)C)C3)c2C)cc1 ZINC000170857314 533209563 /nfs/dbraw/zinc/20/95/63/533209563.db2.gz UKOOCVNZEDQNNU-QGZVFWFLSA-N 1 0 341.455 2.879 10 10 EFCERO CCn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2ccc3c(c2)CCO3)cn1 ZINC000328644083 258022425 /nfs/dbraw/zinc/02/24/25/258022425.db2.gz RQJYDHAQWUJDNH-PKOBYXMFSA-N 1 0 327.428 2.848 10 10 EFCERO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2ccc3c(c2)CCO3)cn1 ZINC000328631934 258027751 /nfs/dbraw/zinc/02/77/51/258027751.db2.gz KYZLMKGZNIXKQO-APWZRJJASA-N 1 0 340.427 2.788 10 10 EFCERO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]Cc3cccs3)cc2)C1 ZINC000054179189 132190287 /nfs/dbraw/zinc/19/02/87/132190287.db2.gz XDSIQOFXRXIUGH-HNNXBMFYSA-N 1 0 329.469 2.740 10 10 EFCERO C[C@@H]1CN(c2ccc(C[NH2+]Cc3ccc4c(c3)CCO4)cn2)CCO1 ZINC000054175319 132190315 /nfs/dbraw/zinc/19/03/15/132190315.db2.gz CPGKTUXJPIXPME-OAHLLOKOSA-N 1 0 339.439 2.531 10 10 EFCERO COc1cc(O)c(CN2CCCC[C@H]([NH+]3CCCC3)C2)cc1OC ZINC000179957365 286238938 /nfs/dbraw/zinc/23/89/38/286238938.db2.gz HDSXCWDTEKJLBE-INIZCTEOSA-N 1 0 334.460 2.860 10 10 EFCERO CCO[C@@]1(C)C[C@H]1[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000527783362 316459607 /nfs/dbraw/zinc/45/96/07/316459607.db2.gz KLWVYCQQCYSIBE-OCCSQVGLSA-N 1 0 330.222 2.820 10 10 EFCERO Cc1ccc([C@@H](C)[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)c(O)c1 ZINC000185267884 473382114 /nfs/dbraw/zinc/38/21/14/473382114.db2.gz SJNHOIOIEXHWRA-CQSZACIVSA-N 1 0 345.418 2.922 10 10 EFCERO O[C@@]1(c2ccccc2F)CN(c2ccccc2)C2=[N+]1CCCS2 ZINC000003226871 471435910 /nfs/dbraw/zinc/43/59/10/471435910.db2.gz LLBQGWTTYSKQIX-GOSISDBHSA-N 1 0 329.420 2.996 10 10 EFCERO Cc1cc(C(=O)N2CCC[N@@H+](C3CC3)CC2)c(C)n1-c1ccccn1 ZINC000061604605 472710606 /nfs/dbraw/zinc/71/06/06/472710606.db2.gz HISXFVUSTZIYKQ-UHFFFAOYSA-N 1 0 338.455 2.799 10 10 EFCERO COc1ccc(N2CC[NH+](Cc3nc(C)ccc3O)CC2)cc1F ZINC000091923150 472825133 /nfs/dbraw/zinc/82/51/33/472825133.db2.gz ABXYYMMPXYGNCK-UHFFFAOYSA-N 1 0 331.391 2.566 10 10 EFCERO c1c[nH]c([C@H]2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC000092072304 472852699 /nfs/dbraw/zinc/85/26/99/472852699.db2.gz KAHHAKDOOQMJGW-KRWDZBQOSA-N 1 0 326.444 2.626 10 10 EFCERO CCOc1cccc(C[N@@H+]2CCNC(=O)C[C@@H]2c2ccccc2)c1O ZINC000092075709 472855710 /nfs/dbraw/zinc/85/57/10/472855710.db2.gz ALWVQCOHFULQFU-QGZVFWFLSA-N 1 0 340.423 2.854 10 10 EFCERO CCOc1ccc(O)c(C[N@H+](CCC(N)=O)Cc2ccccc2)c1 ZINC000122131535 472979544 /nfs/dbraw/zinc/97/95/44/472979544.db2.gz FTNBKWPXCGNJOL-UHFFFAOYSA-N 1 0 328.412 2.669 10 10 EFCERO Cc1cnn([C@@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)c1 ZINC000123021390 473088027 /nfs/dbraw/zinc/08/80/27/473088027.db2.gz WNOHRAIOEUMAIU-HXUWFJFHSA-N 1 0 340.471 2.865 10 10 EFCERO CCO[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCN3C)C12CCOCC2 ZINC000185658042 473480979 /nfs/dbraw/zinc/48/09/79/473480979.db2.gz GGTSYCVLLOONDK-OALUTQOASA-N 1 0 330.472 2.743 10 10 EFCERO C[C@@H]([NH2+][C@H]1CCCn2ncnc21)c1cc(Br)ccc1O ZINC000185662465 473482092 /nfs/dbraw/zinc/48/20/92/473482092.db2.gz FHBYUOXAIAHJIN-SKDRFNHKSA-N 1 0 337.221 2.932 10 10 EFCERO CCOc1ccc(O)c(C[NH2+][C@H]2C[C@@H](OCC)C23CCOCC3)c1 ZINC000185665316 473483348 /nfs/dbraw/zinc/48/33/48/473483348.db2.gz OLQQAKKGZIPUTI-ZWKOTPCHSA-N 1 0 335.444 2.855 10 10 EFCERO CCOc1ccc(O)c(C[NH2+][C@H]2C[C@H](OCC)C23CCOCC3)c1 ZINC000185665278 473483436 /nfs/dbraw/zinc/48/34/36/473483436.db2.gz OLQQAKKGZIPUTI-ROUUACIJSA-N 1 0 335.444 2.855 10 10 EFCERO COc1ccc(O)c([C@@H](C)[NH2+]CCCNC(=O)c2cccs2)c1 ZINC000186031607 473575428 /nfs/dbraw/zinc/57/54/28/473575428.db2.gz FIMZFXDZVKRFJR-GFCCVEGCSA-N 1 0 334.441 2.933 10 10 EFCERO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000186050873 473579617 /nfs/dbraw/zinc/57/96/17/473579617.db2.gz PBVWBTCKNQXWRT-ZIAGYGMSSA-N 1 0 328.416 2.510 10 10 EFCERO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCc3nnc(C(C)C)n3C2)c1 ZINC000186293422 473639923 /nfs/dbraw/zinc/63/99/23/473639923.db2.gz FWKDEFFAZYCYEM-CHWSQXEVSA-N 1 0 330.432 2.781 10 10 EFCERO CCN(CC)c1ccc(C[NH+]2CCN(c3cccnn3)CC2)cc1 ZINC000128004461 473671107 /nfs/dbraw/zinc/67/11/07/473671107.db2.gz YRGDVGMBRTWHTQ-UHFFFAOYSA-N 1 0 325.460 2.645 10 10 EFCERO Cc1cccc(C[NH+]2CCN(C[C@H](O)c3ccccc3)CC2)c1O ZINC000180083875 473794440 /nfs/dbraw/zinc/79/44/40/473794440.db2.gz WPKULYAOXYXLDB-IBGZPJMESA-N 1 0 326.440 2.552 10 10 EFCERO Cc1cc(Cl)cc(CN2CC[NH+](CC3CCOCC3)CC2)c1O ZINC000180228335 473833418 /nfs/dbraw/zinc/83/34/18/473833418.db2.gz KOAHNNQDEIWNQV-UHFFFAOYSA-N 1 0 338.879 2.898 10 10 EFCERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(N(C)CC)cc1)CC2 ZINC000180630000 473923901 /nfs/dbraw/zinc/92/39/01/473923901.db2.gz UNXFUGRMYNQHAO-ZBFHGGJFSA-N 1 0 327.476 2.962 10 10 EFCERO CC[C@@H]([NH2+]Cc1cccc(N2CCOCC2)n1)c1ccccc1O ZINC000274756683 473945314 /nfs/dbraw/zinc/94/53/14/473945314.db2.gz IZJZVNMQPSUYQG-QGZVFWFLSA-N 1 0 327.428 2.865 10 10 EFCERO Cc1cc(O)c(C[NH2+]Cc2cccc(N3CCOCC3)n2)cc1C ZINC000274795482 473961622 /nfs/dbraw/zinc/96/16/22/473961622.db2.gz NMTOGGHGDPHOOI-UHFFFAOYSA-N 1 0 327.428 2.530 10 10 EFCERO C[N@@H+]1CC[C@H](NC(=O)NCc2ccccc2O)[C@@H]1c1ccccc1 ZINC000270254851 474047702 /nfs/dbraw/zinc/04/77/02/474047702.db2.gz BQNMYGCBOMJSPP-WMZOPIPTSA-N 1 0 325.412 2.637 10 10 EFCERO CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)c1cc(Br)ccc1O ZINC000282498910 474088974 /nfs/dbraw/zinc/08/89/74/474088974.db2.gz XZGTXJNACIAYHV-TVYUQYBPSA-N 1 0 341.249 2.863 10 10 EFCERO C[C@@H]([NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1)c1ccccc1O ZINC000282502655 474089916 /nfs/dbraw/zinc/08/99/16/474089916.db2.gz SAAKAWPXXWQPPX-CVEARBPZSA-N 1 0 340.423 2.723 10 10 EFCERO CN(C)c1ccc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)cc1F ZINC000282616320 474131378 /nfs/dbraw/zinc/13/13/78/474131378.db2.gz FDWYMYOCEPBRMJ-CRAIPNDOSA-N 1 0 336.451 2.549 10 10 EFCERO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)c1 ZINC000283504589 474422236 /nfs/dbraw/zinc/42/22/36/474422236.db2.gz ZAWGEILAFDTFSH-SUNYJGFJSA-N 1 0 335.444 2.619 10 10 EFCERO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)c1 ZINC000283504577 474422601 /nfs/dbraw/zinc/42/26/01/474422601.db2.gz ZAWGEILAFDTFSH-DEYYWGMASA-N 1 0 335.444 2.619 10 10 EFCERO CC1(C)[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)[C@@H]2CCCO[C@H]21 ZINC000266188732 474424541 /nfs/dbraw/zinc/42/45/41/474424541.db2.gz XRQSHYXTKCIDHU-IPMKNSEASA-N 1 0 330.472 2.816 10 10 EFCERO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)CC1CCS(=O)(=O)CC1 ZINC000271284695 474475592 /nfs/dbraw/zinc/47/55/92/474475592.db2.gz LGELMCKOTUBMTK-UHFFFAOYSA-N 1 0 338.517 2.788 10 10 EFCERO CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000284073425 474564275 /nfs/dbraw/zinc/56/42/75/474564275.db2.gz QPTHNIQMYVAPIJ-HKUYNNGSSA-N 1 0 334.504 2.925 10 10 EFCERO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCN(c3cc(C)nn3C)C2)c1 ZINC000278338071 474613858 /nfs/dbraw/zinc/61/38/58/474613858.db2.gz CFLMTIHSJRXEON-CABCVRRESA-N 1 0 344.459 2.762 10 10 EFCERO Cc1nc(F)ccc1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000278377793 474626846 /nfs/dbraw/zinc/62/68/46/474626846.db2.gz LDKBZGNQSSQHTD-UHFFFAOYSA-N 1 0 333.382 2.795 10 10 EFCERO C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1ccc(Br)cc1O ZINC000273382764 474871237 /nfs/dbraw/zinc/87/12/37/474871237.db2.gz IPUVJEOQPZYHBY-LDWIPMOCSA-N 1 0 328.128 2.729 10 10 EFCERO C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1cc(Br)ccc1O ZINC000273409061 474883481 /nfs/dbraw/zinc/88/34/81/474883481.db2.gz PFHNYGHLQRWWDM-LDWIPMOCSA-N 1 0 328.128 2.729 10 10 EFCERO COC(=O)[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000273456169 474907416 /nfs/dbraw/zinc/90/74/16/474907416.db2.gz IAHIZBRADNTXSS-KRWDZBQOSA-N 1 0 341.407 2.966 10 10 EFCERO [O-]c1cc(F)c(Cl)cc1C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000293640263 475044775 /nfs/dbraw/zinc/04/47/75/475044775.db2.gz NVZDUGNBOSPZPN-ZDUSSCGKSA-N 1 0 330.831 2.511 10 10 EFCERO CC[N@@H+]1CC[C@H]2OCCN(Cc3c(O)ccc4ccccc43)[C@H]2C1 ZINC000293717622 475049333 /nfs/dbraw/zinc/04/93/33/475049333.db2.gz SYRSICQEBIOJTJ-AZUAARDMSA-N 1 0 326.440 2.840 10 10 EFCERO COC(=O)[C@H]1CCC[N@@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000295035687 475100325 /nfs/dbraw/zinc/10/03/25/475100325.db2.gz NKGDCLAQKLUFOU-KRWDZBQOSA-N 1 0 346.471 2.687 10 10 EFCERO [O-]c1cc(F)c(Cl)cc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000295278874 475117898 /nfs/dbraw/zinc/11/78/98/475117898.db2.gz IHKVNKIOMNZGIB-UHFFFAOYSA-N 1 0 342.842 2.729 10 10 EFCERO CCOC(=O)C1(COC)CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000369140471 476393122 /nfs/dbraw/zinc/39/31/22/476393122.db2.gz SLEJSWQTVRJUQV-UHFFFAOYSA-N 1 0 341.835 2.837 10 10 EFCERO Oc1cc2c(cc1C[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1)OCO2 ZINC000374472507 476483111 /nfs/dbraw/zinc/48/31/11/476483111.db2.gz QEXSCIPXXFWDAB-AUUYWEPGSA-N 1 0 327.380 2.988 10 10 EFCERO CCOC(=O)c1cnn(C2CC[NH+](Cc3ccccc3O)CC2)c1C ZINC000377713927 476541035 /nfs/dbraw/zinc/54/10/35/476541035.db2.gz CHYLKZPYQZPTDZ-UHFFFAOYSA-N 1 0 343.427 2.911 10 10 EFCERO COc1cc(O)c(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)cc1OC ZINC000378439694 476708608 /nfs/dbraw/zinc/70/86/08/476708608.db2.gz TUOYLCLXVZJCET-CYBMUJFWSA-N 1 0 329.400 2.579 10 10 EFCERO Cc1cc(Br)c(O)c(CN[C@@H]2CC[NH2+]C23CCC3)c1 ZINC000530179421 477878022 /nfs/dbraw/zinc/87/80/22/477878022.db2.gz UWOQAOIVTZUAIY-CYBMUJFWSA-N 1 0 325.250 2.837 10 10 EFCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cncnc2)C1 ZINC000579791728 478347549 /nfs/dbraw/zinc/34/75/49/478347549.db2.gz MOFLUFPIBJZNFS-UHFFFAOYSA-N 1 0 349.438 2.837 10 10 EFCERO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](O)[C@H]2CCCO2)c1O ZINC000527958802 478588287 /nfs/dbraw/zinc/58/82/87/478588287.db2.gz WVTFXWFNBGAKNF-ZLKJLUDKSA-N 1 0 344.249 2.654 10 10 EFCERO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2c3ccccc3C(=O)N2C)c1 ZINC000528005492 478610485 /nfs/dbraw/zinc/61/04/85/478610485.db2.gz QGLFQVXCVZRYOH-PXAZEXFGSA-N 1 0 326.396 2.878 10 10 EFCERO COc1cc(Cl)cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1O ZINC000529673864 479243113 /nfs/dbraw/zinc/24/31/13/479243113.db2.gz FOUKYNXJYKPRAK-BHVCSQLQSA-N 1 0 329.849 2.540 10 10 EFCERO COc1cc(Cl)cc(C[NH2+]CC(C)(C)C(=O)N2CCCC2)c1O ZINC000529674597 479243780 /nfs/dbraw/zinc/24/37/80/479243780.db2.gz GDVNPVRQCARKHK-UHFFFAOYSA-N 1 0 340.851 2.792 10 10 EFCERO O=C(c1cn[nH]c1[C@H]1CC[NH2+]C1)N1CC2(CCC2)c2c1cccc2F ZINC000662436851 481804300 /nfs/dbraw/zinc/80/43/00/481804300.db2.gz DUSHMEHGPBSIGD-LBPRGKRZSA-N 1 0 340.402 2.708 10 10 EFCERO O=C(c1cn[nH]c1[C@@H]1CC[NH2+]C1)N1CC2(CCC2)c2c1cccc2F ZINC000662436850 481804554 /nfs/dbraw/zinc/80/45/54/481804554.db2.gz DUSHMEHGPBSIGD-GFCCVEGCSA-N 1 0 340.402 2.708 10 10 EFCERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000172248701 533996140 /nfs/dbraw/zinc/99/61/40/533996140.db2.gz NVRCEYADZFMRDT-QFBILLFUSA-N 1 0 342.487 2.665 10 10 EFCERO C[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(N3CCCC3)cc2)CC[N@@H+]1C ZINC000173993477 534094682 /nfs/dbraw/zinc/09/46/82/534094682.db2.gz VHZHRUGQUSBWFT-LPHOPBHVSA-N 1 0 344.503 2.911 10 10 EFCERO CN(C)c1ccc(CNC(=O)N[C@H](C[NH+](C)C)c2ccccc2)cc1 ZINC000031727349 521823620 /nfs/dbraw/zinc/82/36/20/521823620.db2.gz BKZJGOARNJGJDL-LJQANCHMSA-N 1 0 340.471 2.855 10 10 EFCERO COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3C[NH2+]CC[C@H]3C)c2C)cc1 ZINC000186674787 523315317 /nfs/dbraw/zinc/31/53/17/523315317.db2.gz KERCTLPOFAVSFE-BFUOFWGJSA-N 1 0 341.455 2.831 10 10 EFCERO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](Cc3noc(C)n3)C2)c1O ZINC000175622593 527211109 /nfs/dbraw/zinc/21/11/09/527211109.db2.gz DGLLBQJJYUNDAB-ZDUSSCGKSA-N 1 0 347.390 2.880 10 10 EFCERO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000125977138 527873358 /nfs/dbraw/zinc/87/33/58/527873358.db2.gz IRSRIAXTXALQHU-MFKMUULPSA-N 1 0 342.233 2.976 10 10 EFCERO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCN(C3CCOCC3)C2=O)cc1 ZINC000367412408 535765680 /nfs/dbraw/zinc/76/56/80/535765680.db2.gz JHXVDIJEPHKAQF-BEFAXECRSA-N 1 0 345.487 2.573 10 10 EFCERO Cc1ccc(/C=C/C(=O)N2C[C@@H](C[NH+](C)C)Oc3ccccc32)cn1 ZINC000754359789 575424839 /nfs/dbraw/zinc/42/48/39/575424839.db2.gz ZTMIIVIALHWMEM-SXSDINLZSA-N 1 0 337.423 2.759 10 10 EFCERO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)c1O ZINC000754727000 575478379 /nfs/dbraw/zinc/47/83/79/575478379.db2.gz ZTLXYOGHGDNHNU-MRXNPFEDSA-N 1 0 332.444 2.686 10 10 EFCERO C[C@H]1CN(C)C[C@@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000756113525 575686249 /nfs/dbraw/zinc/68/62/49/575686249.db2.gz JUTXAMBIQBBXPB-GUYCJALGSA-N 1 0 339.430 2.797 10 10 EFCERO C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000756121955 575688537 /nfs/dbraw/zinc/68/85/37/575688537.db2.gz SCMDUUFSBUTNHG-CPUCHLNUSA-N 1 0 339.430 2.797 10 10 EFCERO O=c1[nH]ccc2c1C[N@H+](Cc1cccc(Br)c1[O-])CC2 ZINC000756140137 575691814 /nfs/dbraw/zinc/69/18/14/575691814.db2.gz SSTUEJSKUZXOMP-UHFFFAOYSA-N 1 0 335.201 2.814 10 10 EFCERO CC[NH+]1CCC(CC[NH2+][C@H](C)c2cc(C(=O)OC)ccc2[O-])CC1 ZINC000756609092 575767367 /nfs/dbraw/zinc/76/73/67/575767367.db2.gz FGOUIBBOZVCHSN-CQSZACIVSA-N 1 0 334.460 2.951 10 10 EFCERO COC(=O)c1ccc(O)c([C@@H](C)Nc2cnn(-c3cc[nH+]cc3)c2)c1 ZINC000756868841 575794948 /nfs/dbraw/zinc/79/49/48/575794948.db2.gz XCSWWJBMOLRNGZ-GFCCVEGCSA-N 1 0 338.367 2.933 10 10 EFCERO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H](C)CS(C)(=O)=O ZINC000758142171 575861169 /nfs/dbraw/zinc/86/11/69/575861169.db2.gz JQZWHHXMQIOUCU-OAHLLOKOSA-N 1 0 326.506 2.644 10 10 EFCERO CCN(CC)c1ccc(C[N@H+](C)CC2CCS(=O)(=O)CC2)cc1 ZINC000767357976 577206023 /nfs/dbraw/zinc/20/60/23/577206023.db2.gz CUAUMEDFIFWKGK-UHFFFAOYSA-N 1 0 338.517 2.789 10 10 EFCERO CCCN(CCC)c1ccc(C[N@H+](C)CC(=O)N2CCOCC2)cc1 ZINC000768184059 577259724 /nfs/dbraw/zinc/25/97/24/577259724.db2.gz DTIXABMGOJFKTQ-UHFFFAOYSA-N 1 0 347.503 2.604 10 10 EFCERO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C[C@H](c2ccccc2)O1 ZINC000768442218 577273819 /nfs/dbraw/zinc/27/38/19/577273819.db2.gz KTEKGKRJQRKOIA-CFSSXQINSA-N 1 0 341.407 2.780 10 10 EFCERO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000768460719 577275782 /nfs/dbraw/zinc/27/57/82/577275782.db2.gz OCSYMVVYZLVNFR-OAHLLOKOSA-N 1 0 347.415 2.580 10 10 EFCERO c1c[nH]c(C2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)n1 ZINC000769187873 577342928 /nfs/dbraw/zinc/34/29/28/577342928.db2.gz BLIVWCCWFZDJEX-UHFFFAOYSA-N 1 0 326.444 2.626 10 10 EFCERO COc1cccc(O)c1C[NH+]1CCC(NC(=O)c2ccoc2C)CC1 ZINC000769318040 577351612 /nfs/dbraw/zinc/35/16/12/577351612.db2.gz HEPWUDQVBOLHEF-UHFFFAOYSA-N 1 0 344.411 2.697 10 10 EFCERO OC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccsc1 ZINC000769935375 577394229 /nfs/dbraw/zinc/39/42/29/577394229.db2.gz SQLWFBBBFLKBKM-MRXNPFEDSA-N 1 0 336.432 2.547 10 10 EFCERO COc1cccc(O)c1C[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC000773387533 581425672 /nfs/dbraw/zinc/42/56/72/581425672.db2.gz FYJFGWWXQVMMOW-UHFFFAOYSA-N 1 0 340.423 2.795 10 10 EFCERO CCCN(Cc1ccccc1O)C(=O)c1ccc(C[NH+](C)C)nc1 ZINC000774045849 581480275 /nfs/dbraw/zinc/48/02/75/581480275.db2.gz ZCKQVNMFHGAPRO-UHFFFAOYSA-N 1 0 327.428 2.901 10 10 EFCERO COC[C@H](C)OC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000774095267 581483082 /nfs/dbraw/zinc/48/30/82/581483082.db2.gz NVYCBQLQSZORAO-HNNXBMFYSA-N 1 0 344.455 2.986 10 10 EFCERO CN(C)c1ccc(C[NH2+]Cc2c(C(F)(F)F)cnn2C)cc1F ZINC000850099631 1250278972 /nfs/dbraw/zinc/27/89/72/1250278972.db2.gz QONSUSGMCNQCDI-UHFFFAOYSA-N 1 0 330.329 2.934 10 10 EFCERO COc1ccc(N2CCC([NH2+]Cc3cc4n(n3)CCC4)CC2)cc1 ZINC000850115642 1250293298 /nfs/dbraw/zinc/29/32/98/1250293298.db2.gz JDSYFNJUOPXSND-UHFFFAOYSA-N 1 0 326.444 2.597 10 10 EFCERO COc1cc(C[NH2+]C[C@]2(CCO)CCOC2)c(O)c(C(C)(C)C)c1 ZINC000850191031 1250345278 /nfs/dbraw/zinc/34/52/78/1250345278.db2.gz PQXKXBBVDSMDHS-IBGZPJMESA-N 1 0 337.460 2.577 10 10 EFCERO Cc1cc(CCNC(=O)NC[C@H]2CC[N@H+]2C)c(C)n1-c1ccccc1 ZINC001687219238 1248101775 /nfs/dbraw/zinc/10/17/75/1248101775.db2.gz RUGHDVMNDLKMFX-LJQANCHMSA-N 1 0 340.471 2.640 10 10 EFCERO Cc1cc(CNC(=O)N(C)CC[NH+](C)C)c(C)n1-c1ccccc1 ZINC001687286687 1248198216 /nfs/dbraw/zinc/19/82/16/1248198216.db2.gz QDCVYNGQHZFPKF-UHFFFAOYSA-N 1 0 328.460 2.797 10 10 EFCERO CCOc1ccc(O)c(C[NH2+]Cc2ccc(CNC(C)=O)cc2)c1 ZINC000850342478 1250440939 /nfs/dbraw/zinc/44/09/39/1250440939.db2.gz KKDTXLGCHOQLEI-UHFFFAOYSA-N 1 0 328.412 2.717 10 10 EFCERO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)[C@H]1C ZINC000850346816 1250442795 /nfs/dbraw/zinc/44/27/95/1250442795.db2.gz KTJBUSZNVQSZJE-GGXPGOJBSA-N 1 0 346.471 2.841 10 10 EFCERO CCOCc1cc(C[NH2+][C@@H](COC)C2CCOCC2)ccc1OC ZINC000850351977 1250445466 /nfs/dbraw/zinc/44/54/66/1250445466.db2.gz XTDIEQAYIVEVKU-SFHVURJKSA-N 1 0 337.460 2.763 10 10 EFCERO COc1ccc(N2CCC([NH2+]CCO[C@@H]3CC3(F)F)CC2)cc1 ZINC000850365207 1250449884 /nfs/dbraw/zinc/44/98/84/1250449884.db2.gz JDKDFXNQSUYLMN-MRXNPFEDSA-N 1 0 326.387 2.678 10 10 EFCERO CCN(CC)c1ccc(C[NH2+][C@H]2CC[C@H](C)S(=O)(=O)C2)cc1F ZINC000850367564 1250450773 /nfs/dbraw/zinc/45/07/73/1250450773.db2.gz ADTPNYPFOWBEHJ-ZFWWWQNUSA-N 1 0 342.480 2.727 10 10 EFCERO COc1cc(Br)cc(C[NH2+][C@@H]2C[C@H](O)C23CCC3)c1O ZINC000850387861 1250458189 /nfs/dbraw/zinc/45/81/89/1250458189.db2.gz BQPZFKGAIUERDB-OLZOCXBDSA-N 1 0 342.233 2.556 10 10 EFCERO O=[N+]([O-])c1cc(C[NH2+][C@H]2C[C@H](O)C23CCC3)ccc1N1CCCCC1 ZINC000850389444 1250462352 /nfs/dbraw/zinc/46/23/52/1250462352.db2.gz XGEINDIUQGNYGQ-ROUUACIJSA-N 1 0 345.443 2.978 10 10 EFCERO CN(C)c1ccc(/C=C\C[NH2+]CC(C)(C)[C@]2(O)CCCOC2)cc1 ZINC000850400861 1250466432 /nfs/dbraw/zinc/46/64/32/1250466432.db2.gz PKPNVJJFJAPJNZ-BPJPHKDRSA-N 1 0 332.488 2.923 10 10 EFCERO CC(C)(C)OC(=O)C1(C[NH2+]Cc2cc3c(cc2O)OCO3)CCC1 ZINC000850413194 1250471550 /nfs/dbraw/zinc/47/15/50/1250471550.db2.gz OIZNZUDHLPBJBZ-UHFFFAOYSA-N 1 0 335.400 2.723 10 10 EFCERO C[C@H](O)[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000850419671 1250478591 /nfs/dbraw/zinc/47/85/91/1250478591.db2.gz GQCWSXCHJIDGFO-OXJNMPFZSA-N 1 0 326.440 2.735 10 10 EFCERO C[C@@H](CSCCF)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000850425305 1250481168 /nfs/dbraw/zinc/48/11/68/1250481168.db2.gz SDJMMAAHGOFEEG-ZDUSSCGKSA-N 1 0 330.444 2.843 10 10 EFCERO C[C@H](CSCCF)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000850427498 1250486007 /nfs/dbraw/zinc/48/60/07/1250486007.db2.gz VRPOJVNOEWANLS-CYBMUJFWSA-N 1 0 344.471 2.968 10 10 EFCERO Fc1cc(C[NH2+][C@@H]2COC3(CCC3)C2)cc(F)c1N1CCOCC1 ZINC000850473241 1250497380 /nfs/dbraw/zinc/49/73/80/1250497380.db2.gz CZVDAACZULXHHA-AWEZNQCLSA-N 1 0 338.398 2.603 10 10 EFCERO COc1ccc(N2CC[C@@H]([NH2+][C@@H](Cn3cccn3)C(C)C)C2)cc1 ZINC000850489269 1250501286 /nfs/dbraw/zinc/50/12/86/1250501286.db2.gz SLGPOJVODMDACK-APWZRJJASA-N 1 0 328.460 2.785 10 10 EFCERO COC(=O)C1CCC([NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000850488900 1250501331 /nfs/dbraw/zinc/50/13/31/1250501331.db2.gz PBIVLNNZLMRDTN-UYSNPLJNSA-N 1 0 332.444 2.595 10 10 EFCERO Cc1ccc([C@H](C)[NH2+]CCC2(CS(C)(=O)=O)CC2)c(O)c1C ZINC000850485082 1250502117 /nfs/dbraw/zinc/50/21/17/1250502117.db2.gz BJQSOWXFSMWUOG-AWEZNQCLSA-N 1 0 325.474 2.875 10 10 EFCERO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)Cc3cccc(OC)n3)C2)cc1 ZINC000850488071 1250504169 /nfs/dbraw/zinc/50/41/69/1250504169.db2.gz KXOYZQRATWGBSG-DOTOQJQBSA-N 1 0 341.455 2.898 10 10 EFCERO CCN(CC)C(=O)C[C@H](C)[NH2+][C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850487911 1250504437 /nfs/dbraw/zinc/50/44/37/1250504437.db2.gz KBHKIUYDZNGNBA-HOTGVXAUSA-N 1 0 333.476 2.511 10 10 EFCERO C[C@H]([NH2+]CCO[C@@H]1CC1(F)F)c1ccc(N2CCOCC2)cc1 ZINC000850519778 1250523721 /nfs/dbraw/zinc/52/37/21/1250523721.db2.gz QBXQQEIWGCRUEH-XJKSGUPXSA-N 1 0 326.387 2.598 10 10 EFCERO C[C@H]([NH2+]CC1CCC(O)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000850554011 1250532894 /nfs/dbraw/zinc/53/28/94/1250532894.db2.gz GRKYTXOVKBSIPZ-UQPPLGOBSA-N 1 0 336.451 2.864 10 10 EFCERO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c1 ZINC000850555674 1250533411 /nfs/dbraw/zinc/53/34/11/1250533411.db2.gz APBXDWSWZJZBBQ-NIKGAXFTSA-N 1 0 346.471 2.695 10 10 EFCERO C[C@H]([NH2+]CCN1C[C@@H]2CCCCN2C1=O)c1ccc(Cl)cc1O ZINC000850563284 1250534520 /nfs/dbraw/zinc/53/45/20/1250534520.db2.gz VMYAVEVEFZKQMD-JSGCOSHPSA-N 1 0 337.851 2.986 10 10 EFCERO C[C@@H]([NH2+]CCN1C[C@@H]2CCCCN2C1=O)c1ccc(Cl)cc1O ZINC000850563285 1250534536 /nfs/dbraw/zinc/53/45/36/1250534536.db2.gz VMYAVEVEFZKQMD-OCCSQVGLSA-N 1 0 337.851 2.986 10 10 EFCERO CCS(=O)(=O)C1(C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)CC1 ZINC000850556439 1250534671 /nfs/dbraw/zinc/53/46/71/1250534671.db2.gz LHJMGTOGKXJDSQ-CYBMUJFWSA-N 1 0 337.485 2.889 10 10 EFCERO CCS(=O)(=O)C1(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)CC1 ZINC000850558619 1250536190 /nfs/dbraw/zinc/53/61/90/1250536190.db2.gz SALZFMRWXLRKLU-PWSUYJOCSA-N 1 0 327.421 2.637 10 10 EFCERO CC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccn(C)n1 ZINC000850567625 1250539875 /nfs/dbraw/zinc/53/98/75/1250539875.db2.gz HSMKEJFTVXEGKB-GOSISDBHSA-N 1 0 328.460 2.622 10 10 EFCERO C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[C@@H]2CCC[C@@H]21 ZINC000850568066 1250540395 /nfs/dbraw/zinc/54/03/95/1250540395.db2.gz OTYYWCMDVRVIFY-ACRUOGEOSA-N 1 0 343.515 2.610 10 10 EFCERO COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCCCCC[C@@H]3[NH3+])C2)cc1 ZINC000851639381 1251161691 /nfs/dbraw/zinc/16/16/91/1251161691.db2.gz DUPCMUKEMJFWAW-SNRMKQJTSA-N 1 0 345.487 2.688 10 10 EFCERO CN(C)c1ccc(CNC(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000851655656 1251180404 /nfs/dbraw/zinc/18/04/04/1251180404.db2.gz ZCTKBPXRRSIVAR-GOSISDBHSA-N 1 0 344.503 2.674 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)c2ccc(Cl)cn2)cc1C ZINC001691564990 1251775433 /nfs/dbraw/zinc/77/54/33/1251775433.db2.gz MUCXPEGORDEWSX-UHFFFAOYSA-N 1 0 347.846 2.914 10 10 EFCERO CC[C@@H](OC)C(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001484083313 1252222108 /nfs/dbraw/zinc/22/21/08/1252222108.db2.gz MXLZYQVSZNMPGO-YLJYHZDGSA-N 1 0 348.487 2.757 10 10 EFCERO CC[C@H](OC)C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001484083311 1252223514 /nfs/dbraw/zinc/22/35/14/1252223514.db2.gz MXLZYQVSZNMPGO-PXNSSMCTSA-N 1 0 348.487 2.757 10 10 EFCERO COc1ccc(C[NH2+]CC[C@@H]2CCN(C(=O)c3ccc[nH]3)C2)cc1C ZINC001484508062 1252727036 /nfs/dbraw/zinc/72/70/36/1252727036.db2.gz KLYGFUJTFHIGLP-MRXNPFEDSA-N 1 0 341.455 2.974 10 10 EFCERO CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc3ccccc3c2O)C1 ZINC000186109863 1254350824 /nfs/dbraw/zinc/35/08/24/1254350824.db2.gz QTFVQDSCMDLSSV-ZFWWWQNUSA-N 1 0 327.428 3.000 10 10 EFCERO FC(F)(F)[C@H]1CC[C@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)O1 ZINC000922463015 1266089441 /nfs/dbraw/zinc/08/94/41/1266089441.db2.gz QMZLZSUKPLAMBQ-HZPDHXFCSA-N 1 0 344.377 2.723 10 10 EFCERO FCCn1cc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)cn1 ZINC000921549998 1257247758 /nfs/dbraw/zinc/24/77/58/1257247758.db2.gz GRCGEYMUYPJLMD-UHFFFAOYSA-N 1 0 334.464 2.696 10 10 EFCERO CCOc1ccc(O)c(C[NH2+]CC(=O)N(CC)c2ccccc2)c1 ZINC000922476685 1266111213 /nfs/dbraw/zinc/11/12/13/1266111213.db2.gz HZESAWMZJGLUKM-UHFFFAOYSA-N 1 0 328.412 2.934 10 10 EFCERO CN(C)c1ccc(C[NH2+]CC[C@H]2CC(=O)N(C)C2)c(C(F)(F)F)c1 ZINC000922489466 1266130044 /nfs/dbraw/zinc/13/00/44/1266130044.db2.gz YTQQZYHNOYTTTG-LBPRGKRZSA-N 1 0 343.393 2.729 10 10 EFCERO CCOc1ccc(O)c(C[NH2+][C@@H](C)C2CCN(C(=O)OC)CC2)c1 ZINC000186362632 1259256738 /nfs/dbraw/zinc/25/67/38/1259256738.db2.gz CHKWRIWIHDPHSS-ZDUSSCGKSA-N 1 0 336.432 2.747 10 10 EFCERO COc1ccccc1[C@@H]1C[NH2+]CCN1Cc1ccc(N(C)C)cc1 ZINC000843117789 1260068151 /nfs/dbraw/zinc/06/81/51/1260068151.db2.gz TVSHVCZFEZSFRH-IBGZPJMESA-N 1 0 325.456 2.908 10 10 EFCERO C[N@@H+]1CC[C@H](NC(=O)NCc2c(O)cccc2F)[C@H]1c1ccccc1 ZINC000921677611 1260276737 /nfs/dbraw/zinc/27/67/37/1260276737.db2.gz FQUYFIQOPGTNPV-FUHWJXTLSA-N 1 0 343.402 2.776 10 10 EFCERO [NH3+]C[C@H]1CCc2ccccc2N1Cc1ccc(N2CCOCC2)cc1 ZINC000923388154 1261596588 /nfs/dbraw/zinc/59/65/88/1261596588.db2.gz AQGPIQKBCITSHG-HXUWFJFHSA-N 1 0 337.467 2.803 10 10 EFCERO COc1cc(Br)cc(CN2CCC([NH+](C)C)CC2)c1O ZINC000091669440 1261665935 /nfs/dbraw/zinc/66/59/35/1261665935.db2.gz VSBDYSWLUPKPMK-UHFFFAOYSA-N 1 0 343.265 2.689 10 10 EFCERO Oc1cc(Br)ccc1C[NH2+][C@H]1CCCC2(C1)OCCO2 ZINC000715707448 1262416758 /nfs/dbraw/zinc/41/67/58/1262416758.db2.gz FRXBFOKHMPXUDZ-ZDUSSCGKSA-N 1 0 342.233 2.930 10 10 EFCERO CCc1cc(C(=O)N(C)C[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)[nH]n1 ZINC001485847238 1262420658 /nfs/dbraw/zinc/42/06/58/1262420658.db2.gz JGFRHCULXQQAIM-CQSZACIVSA-N 1 0 344.459 2.539 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2cncc(C)c2)cc1C ZINC001485859993 1262434190 /nfs/dbraw/zinc/43/41/90/1262434190.db2.gz WMZGLFYLSPPEMW-INIZCTEOSA-N 1 0 341.455 2.957 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2c(C)ccn2C)cc1C ZINC001485867226 1262441142 /nfs/dbraw/zinc/44/11/42/1262441142.db2.gz CUWGGCIKUFNNEF-MRXNPFEDSA-N 1 0 343.471 2.901 10 10 EFCERO C[C@@H](NC(=O)NCc1c(O)cccc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000921877428 1263062131 /nfs/dbraw/zinc/06/21/31/1263062131.db2.gz FUTPWQAWPLODKT-KGLIPLIRSA-N 1 0 349.450 2.984 10 10 EFCERO C[C@@H](NC(=O)NCc1c(O)cccc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000921877430 1263062667 /nfs/dbraw/zinc/06/26/67/1263062667.db2.gz FUTPWQAWPLODKT-ZIAGYGMSSA-N 1 0 349.450 2.984 10 10 EFCERO CCN(CC)c1ccc(C[N@@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)cc1 ZINC000824653338 1278217181 /nfs/dbraw/zinc/21/71/81/1278217181.db2.gz AHAGNUOGLZYHBS-SXLOBPIMSA-N 1 0 332.488 2.895 10 10 EFCERO CCN(CC)c1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)cc1 ZINC000824653334 1278217219 /nfs/dbraw/zinc/21/72/19/1278217219.db2.gz AHAGNUOGLZYHBS-MISYRCLQSA-N 1 0 332.488 2.895 10 10 EFCERO c1cc2c(cc1C[NH2+][C@@H]1C[C@@H](N3CCOCC3)C13CCC3)CCCO2 ZINC000922260276 1265133340 /nfs/dbraw/zinc/13/33/40/1265133340.db2.gz LAUXNHDRBYTIRO-WOJBJXKFSA-N 1 0 342.483 2.745 10 10 EFCERO CCN(CC)c1ccc(C[NH2+]CC(C)(C)CS(C)(=O)=O)cc1F ZINC000922744209 1266729587 /nfs/dbraw/zinc/72/95/87/1266729587.db2.gz XIJCCUKDKWDPMT-UHFFFAOYSA-N 1 0 344.496 2.832 10 10 EFCERO C[C@H](c1ccccc1)[C@H](CO)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000734846297 1267130083 /nfs/dbraw/zinc/13/00/83/1267130083.db2.gz PZQRFKXTAKGFME-UTKZUKDTSA-N 1 0 340.467 2.777 10 10 EFCERO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000824861075 1278319798 /nfs/dbraw/zinc/31/97/98/1278319798.db2.gz GOEVMOHDULFMBM-MOPGFXCFSA-N 1 0 346.471 2.735 10 10 EFCERO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]3CC4(CC[C@@H]31)OCCO4)OCO2 ZINC000825031053 1278388902 /nfs/dbraw/zinc/38/89/02/1278388902.db2.gz XIQSJDRBECAOOS-HIFRSBDPSA-N 1 0 347.411 2.629 10 10 EFCERO COc1cccc(CN2CCO[C@H](COc3ccccc3)C2)c1O ZINC000792186045 1278625994 /nfs/dbraw/zinc/62/59/94/1278625994.db2.gz FWEOQYHINUKGFY-KRWDZBQOSA-N 1 0 329.396 2.681 10 10 EFCERO OC[C@H](C[NH2+]Cc1cc(F)ccc1O)Cc1ccc(F)c(F)c1 ZINC000792193713 1278635592 /nfs/dbraw/zinc/63/55/92/1278635592.db2.gz YUKGKNGCSWFVMB-LBPRGKRZSA-N 1 0 325.330 2.750 10 10 EFCERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(N(C)C)cc2C)[C@@H](C)C1 ZINC000746329029 1272045695 /nfs/dbraw/zinc/04/56/95/1272045695.db2.gz BOWBTYNOVVXXPQ-QFBILLFUSA-N 1 0 346.519 2.933 10 10 EFCERO CCc1cc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)oc1CC ZINC000844162641 1278791781 /nfs/dbraw/zinc/79/17/81/1278791781.db2.gz KHQASQVZUNZKNV-INIZCTEOSA-N 1 0 329.444 2.900 10 10 EFCERO CCOc1ccc(C[NH2+][C@@H](C)[C@H](O)c2ccc3c(c2)OCO3)c(O)c1 ZINC000785584114 1275118038 /nfs/dbraw/zinc/11/80/38/1275118038.db2.gz VKSPRJIKWKFDAY-BUXKBTBVSA-N 1 0 345.395 2.731 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@H](O)c2ccc3c(c2)OCO3)cc1C ZINC000785574936 1275132563 /nfs/dbraw/zinc/13/25/63/1275132563.db2.gz QDZRYEPEPUPNSE-DJJJIMSYSA-N 1 0 329.396 2.944 10 10 EFCERO CCCN(CCC)c1ccc(C[NH2+]CCC2CS(=O)(=O)C2)cc1 ZINC000786825245 1275534124 /nfs/dbraw/zinc/53/41/24/1275534124.db2.gz RUPWCGPMGKWRQC-UHFFFAOYSA-N 1 0 338.517 2.837 10 10 EFCERO C[C@@H]([NH2+]CCC1CS(=O)(=O)C1)c1ccc(N2CCCCC2)cc1 ZINC000786946632 1275586493 /nfs/dbraw/zinc/58/64/93/1275586493.db2.gz CAQIVYPUQABYKA-OAHLLOKOSA-N 1 0 336.501 2.762 10 10 EFCERO C[C@@H]1CCNC[C@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000817903110 1276367481 /nfs/dbraw/zinc/36/74/81/1276367481.db2.gz IBKYKIICURBWGE-CXAGYDPISA-N 1 0 339.430 2.844 10 10 EFCERO C[C@@H](N[C@H]1CCCC[NH2+]C1)c1ccc(N2CCOCC2)cc1Cl ZINC000817984606 1276422783 /nfs/dbraw/zinc/42/27/83/1276422783.db2.gz VMCOAQLTSWYEMX-CABCVRRESA-N 1 0 337.895 2.969 10 10 EFCERO CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3ccc(N4CCOCC4)cc3)C[C@H]2C1 ZINC000818330144 1276507845 /nfs/dbraw/zinc/50/78/45/1276507845.db2.gz OCXXGGIMBCOKLN-XGPVDZAGSA-N 1 0 330.472 2.816 10 10 EFCERO O[C@@H](C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CC1 ZINC000819120301 1276639413 /nfs/dbraw/zinc/63/94/13/1276639413.db2.gz OSROXTAATZHQIT-CJNGLKHVSA-N 1 0 326.387 2.617 10 10 EFCERO CCOC(=O)CC1([NH2+]Cc2ccc(N3CCOCC3)cc2)CCCC1 ZINC000789778631 1276991516 /nfs/dbraw/zinc/99/15/16/1276991516.db2.gz IFYYNJOTSGTWFV-UHFFFAOYSA-N 1 0 346.471 2.879 10 10 EFCERO Cc1cc(C[N@@H+]2CCC[C@H](c3ccnc(N)n3)C2)ccc1N(C)C ZINC000815104015 1287325410 /nfs/dbraw/zinc/32/54/10/1287325410.db2.gz AZHWSQDNOVZICA-INIZCTEOSA-N 1 0 325.460 2.813 10 10 EFCERO COC(=O)[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792790905 1279154165 /nfs/dbraw/zinc/15/41/65/1279154165.db2.gz VDPVWODRTVNJLY-LBPRGKRZSA-N 1 0 330.350 2.766 10 10 EFCERO O=[S@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000844743993 1279213531 /nfs/dbraw/zinc/21/35/31/1279213531.db2.gz CHURAPXUXJXDPQ-RSPIHXBNSA-N 1 0 331.437 2.722 10 10 EFCERO C[NH2+]Cc1ccccc1C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000844904155 1279324662 /nfs/dbraw/zinc/32/46/62/1279324662.db2.gz BSIULQOBLCWDJP-UHFFFAOYSA-N 1 0 335.791 2.963 10 10 EFCERO CN(C)c1ccc(C[NH2+]C[C@@]2(CCO)CCOC2)c(C(F)(F)F)c1 ZINC000793011413 1279326776 /nfs/dbraw/zinc/32/67/76/1279326776.db2.gz UOIQPKKGMIJWGE-MRXNPFEDSA-N 1 0 346.393 2.650 10 10 EFCERO CN(C)c1ccc(C[NH2+]C2(CC(N)=O)CCC2)c(C(F)(F)F)c1 ZINC000793085647 1279362989 /nfs/dbraw/zinc/36/29/89/1279362989.db2.gz ORUHUXVJFQDBQL-UHFFFAOYSA-N 1 0 329.366 2.659 10 10 EFCERO CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1cn2c(n1)CCCC2 ZINC000845311705 1279568508 /nfs/dbraw/zinc/56/85/08/1279568508.db2.gz ZVOOLJLMJOUMEN-UHFFFAOYSA-N 1 0 340.471 2.877 10 10 EFCERO C[C@@H]1C[C@H]([NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)c2c1c(F)ccc2O ZINC000793573368 1279771490 /nfs/dbraw/zinc/77/14/90/1279771490.db2.gz QCWYDWJDQOFGGV-UQFNBPPOSA-N 1 0 325.424 2.827 10 10 EFCERO CCOc1ccc(O)c(C[NH2+]C[C@]2(CO)CCc3ccccc32)c1 ZINC000846011281 1279975148 /nfs/dbraw/zinc/97/51/48/1279975148.db2.gz LNFHBSAJNWRRLN-FQEVSTJZSA-N 1 0 327.424 2.757 10 10 EFCERO CN(C)c1ccc(C[NH2+]C[C@]2(CO)CCc3ccccc32)cc1F ZINC000846010350 1279975743 /nfs/dbraw/zinc/97/57/43/1279975743.db2.gz FHOYOERLOMSWBQ-FQEVSTJZSA-N 1 0 328.431 2.858 10 10 EFCERO CC[C@@H]([NH2+]CC[C@@]1(O)CCOC1)c1ccc(C(F)(F)F)cc1O ZINC000846050756 1280001878 /nfs/dbraw/zinc/00/18/78/1280001878.db2.gz YRDKZIHIKHADRM-UKRRQHHQSA-N 1 0 333.350 2.993 10 10 EFCERO COc1cccc([C@H](C)[NH2+]Cc2cccc(CS(C)(=O)=O)c2)c1O ZINC000846141161 1280050819 /nfs/dbraw/zinc/05/08/19/1280050819.db2.gz FJEDSDOIJZDBIC-ZDUSSCGKSA-N 1 0 349.452 2.796 10 10 EFCERO COc1cccc([C@H](C)[NH2+]C[C@@]2(CO)CCc3ccccc32)c1O ZINC000846182591 1280061413 /nfs/dbraw/zinc/06/14/13/1280061413.db2.gz WUPZTYXEAGNWAP-VBKZILBWSA-N 1 0 327.424 2.928 10 10 EFCERO CN(C)c1ccc(CN(C(=O)NCCC2(C[NH3+])CC2)C2CC2)cc1 ZINC000846185896 1280062152 /nfs/dbraw/zinc/06/21/52/1280062152.db2.gz UTOUCRAVLXNYLO-UHFFFAOYSA-N 1 0 330.476 2.556 10 10 EFCERO CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCCOC1 ZINC000872025853 1287405291 /nfs/dbraw/zinc/40/52/91/1287405291.db2.gz UVLYYUFPNQFRJA-WMZOPIPTSA-N 1 0 336.451 2.957 10 10 EFCERO CCC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC001144868178 1280263319 /nfs/dbraw/zinc/26/33/19/1280263319.db2.gz PPSNVSSHHAJSIC-IBGZPJMESA-N 1 0 347.503 2.854 10 10 EFCERO COc1ccc(-n2c(C)cc(C(=O)NCCC3(C[NH3+])CC3)c2C)cc1 ZINC000846690940 1280417931 /nfs/dbraw/zinc/41/79/31/1280417931.db2.gz CUKCIXIELVJKAL-UHFFFAOYSA-N 1 0 341.455 2.962 10 10 EFCERO C/C(=C/c1cccnc1)C(=O)N1C[C@H](C[NH+](C)C)Oc2ccccc21 ZINC000846923430 1280619778 /nfs/dbraw/zinc/61/97/78/1280619778.db2.gz RDPZXKSTDHFDQQ-HKBKRHGFSA-N 1 0 337.423 2.841 10 10 EFCERO CC1CCN(c2ccc(C[NH2+]C[C@H](O)C[C@@](C)(O)C3CC3)cc2)CC1 ZINC000872200294 1287473735 /nfs/dbraw/zinc/47/37/35/1287473735.db2.gz GBJADLKJPVZTDZ-NHCUHLMSSA-N 1 0 346.515 2.925 10 10 EFCERO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H](C3CC3)C2)cc1 ZINC000808776256 1281894736 /nfs/dbraw/zinc/89/47/36/1281894736.db2.gz DYWZISCPWMBGQK-SFHVURJKSA-N 1 0 329.488 2.833 10 10 EFCERO C[C@H](O)c1ncc(C[NH2+]Cc2cc(Br)ccc2O)s1 ZINC000809712603 1282420622 /nfs/dbraw/zinc/42/06/22/1282420622.db2.gz ATYSZXNKSKFCES-QMMMGPOBSA-N 1 0 343.246 2.954 10 10 EFCERO COC(=O)c1ccc(C[NH2+]Cc2cc(Br)ccc2O)[nH]1 ZINC000809712549 1282421640 /nfs/dbraw/zinc/42/16/40/1282421640.db2.gz QGTUEAGXAYYVRO-UHFFFAOYSA-N 1 0 339.189 2.559 10 10 EFCERO Cn1nnc2cc(C[NH2+]Cc3cc(Br)ccc3O)ccc21 ZINC000809712885 1282422573 /nfs/dbraw/zinc/42/25/73/1282422573.db2.gz GJCFEKNSFKXCID-UHFFFAOYSA-N 1 0 347.216 2.726 10 10 EFCERO COc1ccc(N2CCC([NH2+]CC[C@H](O)C(F)(F)F)CC2)cc1 ZINC000809743645 1282443102 /nfs/dbraw/zinc/44/31/02/1282443102.db2.gz YHPRTYPTROGOBQ-HNNXBMFYSA-N 1 0 332.366 2.567 10 10 EFCERO CCOC(=O)COCC[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000809932782 1282609637 /nfs/dbraw/zinc/60/96/37/1282609637.db2.gz DUGXQGMFFDMONV-UHFFFAOYSA-N 1 0 334.460 2.688 10 10 EFCERO Cc1cc(N(C)C)ccc1CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810411093 1283214557 /nfs/dbraw/zinc/21/45/57/1283214557.db2.gz IGXLZQWJFSPQMG-LJQANCHMSA-N 1 0 335.467 2.890 10 10 EFCERO Cc1cc(N(C)C)ccc1CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810411092 1283214727 /nfs/dbraw/zinc/21/47/27/1283214727.db2.gz IGXLZQWJFSPQMG-IBGZPJMESA-N 1 0 335.467 2.890 10 10 EFCERO Cc1cc(C)cc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001132898880 1284437078 /nfs/dbraw/zinc/43/70/78/1284437078.db2.gz HWCWRNUSRUPBEC-UHFFFAOYSA-N 1 0 337.467 2.985 10 10 EFCERO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCO[C@H](CC)C1 ZINC000822511298 1289020380 /nfs/dbraw/zinc/02/03/80/1289020380.db2.gz BKFAANNDRWPHNP-DOTOQJQBSA-N 1 0 335.444 2.963 10 10 EFCERO CN(C)c1ccc(CN2CC[C@@H]3C[N@H+](C)C[C@H]32)c(C(F)(F)F)c1 ZINC000814172821 1286354804 /nfs/dbraw/zinc/35/48/04/1286354804.db2.gz AOJONCMRSZLLBW-CZUORRHYSA-N 1 0 327.394 2.907 10 10 EFCERO C[N@@H+]1C[C@H]2CCN(Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000814172992 1286354906 /nfs/dbraw/zinc/35/49/06/1286354906.db2.gz FDCVGIQZIBQANH-APWZRJJASA-N 1 0 344.459 2.721 10 10 EFCERO Cc1cc(Br)cc(CN2CC[C@@H]3C[N@@H+](C)C[C@H]32)c1O ZINC000814173937 1286357360 /nfs/dbraw/zinc/35/73/60/1286357360.db2.gz TVLSHHXTNPVXSL-BXUZGUMPSA-N 1 0 325.250 2.599 10 10 EFCERO Cc1cc(C[NH+]2CCC(Cc3nncn3C)CC2)ccc1N(C)C ZINC001176296547 1287924896 /nfs/dbraw/zinc/92/48/96/1287924896.db2.gz VFMWORUVOXWXKU-UHFFFAOYSA-N 1 0 327.476 2.644 10 10 EFCERO CCOP(=O)(OCC)[C@@H](O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000851949636 1299480450 /nfs/dbraw/zinc/48/04/50/1299480450.db2.gz GYZLXKNLZSOVDY-CZUORRHYSA-N 1 0 344.392 2.988 10 10 EFCERO CCCN(CCC)c1ccc(C[NH2+][C@H]2CCc3nnnn3CC2)cc1 ZINC000817419246 1288594321 /nfs/dbraw/zinc/59/43/21/1288594321.db2.gz RQMUSJMANUBJOL-KRWDZBQOSA-N 1 0 342.491 2.794 10 10 EFCERO C[NH+](C)CC[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(C)(C)C ZINC001136757560 1289399245 /nfs/dbraw/zinc/39/92/45/1289399245.db2.gz SKFBPJBIJVJEGT-AWEZNQCLSA-N 1 0 333.436 2.945 10 10 EFCERO CN(C)c1ccc(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)cc1F ZINC000824517438 1289678262 /nfs/dbraw/zinc/67/82/62/1289678262.db2.gz VABIQBGATJEJMH-AWEZNQCLSA-N 1 0 348.443 2.552 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)cc1C ZINC000824515690 1289678528 /nfs/dbraw/zinc/67/85/28/1289678528.db2.gz HARYBZUZMIBFSA-OAHLLOKOSA-N 1 0 331.437 2.664 10 10 EFCERO COc1cc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000824575475 1289704411 /nfs/dbraw/zinc/70/44/11/1289704411.db2.gz GBTXODCWTPAOCN-STQMWFEESA-N 1 0 334.460 2.784 10 10 EFCERO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@@H]1CC12CC2 ZINC000817549908 1289957883 /nfs/dbraw/zinc/95/78/83/1289957883.db2.gz PFIFBZOGBMTOKK-CABCVRRESA-N 1 0 334.847 2.926 10 10 EFCERO COc1c([O-])c(C[NH2+]C[C@]2(O)CCCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000775096879 1291115502 /nfs/dbraw/zinc/11/55/02/1291115502.db2.gz FFZJBYFSTOIUBY-KRWDZBQOSA-N 1 0 338.404 2.730 10 10 EFCERO CCOc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCN(C(=O)OC)C2)c(O)c1 ZINC000775347725 1291990463 /nfs/dbraw/zinc/99/04/63/1291990463.db2.gz QPFMRWNUFLAELX-DZGCQCFKSA-N 1 0 336.432 2.747 10 10 EFCERO CCO[C@@H]1C[C@@H]([N@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)C1(C)C ZINC001191165874 1292487018 /nfs/dbraw/zinc/48/70/18/1292487018.db2.gz YWZYXLHZOTYIHF-QZTJIDSGSA-N 1 0 347.503 2.504 10 10 EFCERO COC[C@](C)(CO)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796318139 1292906920 /nfs/dbraw/zinc/90/69/20/1292906920.db2.gz WULBLOSEGRYATL-NRFANRHFSA-N 1 0 340.467 2.736 10 10 EFCERO CC[C@@H]([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1ccccc1O ZINC000775538972 1292936759 /nfs/dbraw/zinc/93/67/59/1292936759.db2.gz BKRHBNIYBLAAEB-SJORKVTESA-N 1 0 335.492 2.525 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H]2CC3(CCC3)CO2)cc1Cn1cccn1 ZINC000886285601 1294815756 /nfs/dbraw/zinc/81/57/56/1294815756.db2.gz NIJAKBPUCVGCGA-SFHVURJKSA-N 1 0 341.455 2.989 10 10 EFCERO Cc1cc(CNC(=O)NCC[NH+]2CCC2)c(C)n1-c1ccccc1 ZINC001234328745 1313105139 /nfs/dbraw/zinc/10/51/39/1313105139.db2.gz YJOZNMWVSQMKFB-UHFFFAOYSA-N 1 0 326.444 2.599 10 10 EFCERO Cc1coc(C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)c1 ZINC000886325125 1294855766 /nfs/dbraw/zinc/85/57/66/1294855766.db2.gz VNDDPPBNLJFVKA-UHFFFAOYSA-N 1 0 327.428 2.580 10 10 EFCERO C[C@@H]([NH2+]Cc1cc(-c2cnn(C)c2)no1)c1ccc(N(C)C)cc1 ZINC000775833535 1294946437 /nfs/dbraw/zinc/94/64/37/1294946437.db2.gz CZKAXQMVVIATFE-CYBMUJFWSA-N 1 0 325.416 2.992 10 10 EFCERO C[C@H]([NH2+]CCc1nnnn1-c1ccccc1)c1ccc(N(C)C)cc1 ZINC000775836130 1294971067 /nfs/dbraw/zinc/97/10/67/1294971067.db2.gz JSYLXURPPHRTBY-HNNXBMFYSA-N 1 0 336.443 2.622 10 10 EFCERO CC(C)[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1cnn(C)c1 ZINC000886507273 1294998528 /nfs/dbraw/zinc/99/85/28/1294998528.db2.gz CVBMOHYXMWPRON-LJQANCHMSA-N 1 0 346.450 2.883 10 10 EFCERO Cc1cc(Br)c(O)c(CN2CC[N@@H+](C)[C@@H](C)[C@H]2C)c1 ZINC000775983197 1295570471 /nfs/dbraw/zinc/57/04/71/1295570471.db2.gz BKMKWDNGJXULKU-NWDGAFQWSA-N 1 0 327.266 2.988 10 10 EFCERO CCOCC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001275747400 1296387491 /nfs/dbraw/zinc/38/74/91/1296387491.db2.gz PJVGZUNYFPSQFY-QZTJIDSGSA-N 1 0 348.487 2.805 10 10 EFCERO CCC1([NH3+])CCN(Cc2cc(Br)cc(OC)c2O)CC1 ZINC000903947450 1313470299 /nfs/dbraw/zinc/47/02/99/1313470299.db2.gz UZZDWUOCROQRPG-UHFFFAOYSA-N 1 0 343.265 2.867 10 10 EFCERO CN(C)c1ccc(/C=C/CN[C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000903970524 1313515746 /nfs/dbraw/zinc/51/57/46/1313515746.db2.gz YMJQCEZVBVZYLQ-WHLIDYPQSA-N 1 0 329.488 2.514 10 10 EFCERO CN(C)c1ccc(/C=C\CN[C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000903970522 1313516004 /nfs/dbraw/zinc/51/60/04/1313516004.db2.gz YMJQCEZVBVZYLQ-JXCVUKRWSA-N 1 0 329.488 2.514 10 10 EFCERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2coc(C)n2)C2CC2)cc1C ZINC001490652304 1299092217 /nfs/dbraw/zinc/09/22/17/1299092217.db2.gz DEWODRRNLNXJJB-INIZCTEOSA-N 1 0 343.427 2.598 10 10 EFCERO Cc1cc(Cl)cc(C[NH2+]C[C@@](C)(O)C(=O)OC(C)(C)C)c1O ZINC000776519915 1299343392 /nfs/dbraw/zinc/34/33/92/1299343392.db2.gz DYICCVSYYOOMHO-MRXNPFEDSA-N 1 0 329.824 2.536 10 10 EFCERO CN1CCCc2cc(CNC(=O)NC[C@@H]3CC[N@@H+]3C(C)(C)C)ccc21 ZINC000852411905 1299695166 /nfs/dbraw/zinc/69/51/66/1299695166.db2.gz IVKJSMYCBBPDIC-KRWDZBQOSA-N 1 0 344.503 2.741 10 10 EFCERO CC(=O)c1cc(F)cc(C[NH2+][C@@H]2CCC[C@H]2Cc2cnn(C)c2)c1O ZINC000852562943 1299757514 /nfs/dbraw/zinc/75/75/14/1299757514.db2.gz NLVSMLXRRYBJQB-KBXCAEBGSA-N 1 0 345.418 2.968 10 10 EFCERO COc1ccc(CNC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)c(O)c1 ZINC000852825012 1299903645 /nfs/dbraw/zinc/90/36/45/1299903645.db2.gz GLHPBEFWVQXYBT-HNNXBMFYSA-N 1 0 340.423 2.709 10 10 EFCERO COc1ccc(-n2c(C)cc(C(=O)N3CC4CC3(C[NH3+])C4)c2C)cc1 ZINC000852909659 1299935047 /nfs/dbraw/zinc/93/50/47/1299935047.db2.gz WUUAHMZWKUHQIJ-UHFFFAOYSA-N 1 0 339.439 2.666 10 10 EFCERO O=C1N=C(N2CCCCC2)S/C1=C/c1ccnn1-c1cc[nH+]cc1 ZINC000853003397 1299966371 /nfs/dbraw/zinc/96/63/71/1299966371.db2.gz KCYZFORZKCFQIX-NTCAYCPXSA-N 1 0 339.424 2.724 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+]CCOCCF)c1O ZINC000853237169 1300061168 /nfs/dbraw/zinc/06/11/68/1300061168.db2.gz RGPPCCXZLKIEKN-VIFPVBQESA-N 1 0 336.201 2.800 10 10 EFCERO Cc1cc(CC(=O)N2CCC(C[NH3+])CC2)c(C)n1-c1ccccc1 ZINC000853303120 1300081871 /nfs/dbraw/zinc/08/18/71/1300081871.db2.gz NRSNKLGVFBKUSL-UHFFFAOYSA-N 1 0 325.456 2.834 10 10 EFCERO CCN(C(=O)NCc1ccc(N2CCCC2)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000853411869 1300107940 /nfs/dbraw/zinc/10/79/40/1300107940.db2.gz OQRSDOCIJWNCSR-GOSISDBHSA-N 1 0 330.476 2.522 10 10 EFCERO Oc1cc2c(cc1C[N@@H+]1CC3(CCC3)[C@@H]1c1ccncc1)[C@H](O)CO2 ZINC000853632602 1300203284 /nfs/dbraw/zinc/20/32/84/1300203284.db2.gz HVXSBUOUGLYFSZ-MJGOQNOKSA-N 1 0 338.407 2.940 10 10 EFCERO Cc1cc(C[N@@H+]2CC3(CCOCC3)CC[C@@H]2CO)ccc1N(C)C ZINC000859521451 1301482514 /nfs/dbraw/zinc/48/25/14/1301482514.db2.gz IFENOJUSRDFLCR-GOSISDBHSA-N 1 0 332.488 2.815 10 10 EFCERO C[C@H]1CC[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2[O-])C[NH2+]1 ZINC000861690356 1302191029 /nfs/dbraw/zinc/19/10/29/1302191029.db2.gz NTLHAKARVBUZLC-GZMMTYOYSA-N 1 0 332.231 2.639 10 10 EFCERO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000861701183 1302194117 /nfs/dbraw/zinc/19/41/17/1302194117.db2.gz OMVSZLXROJEEBV-WMLDXEAASA-N 1 0 331.460 2.987 10 10 EFCERO CC(C)[N@@H+](Cc1cc(F)c(N(C)C)cc1F)C[C@H]1CCC(=O)N1 ZINC000862394760 1302366348 /nfs/dbraw/zinc/36/63/48/1302366348.db2.gz QIDJMKICUHIXLQ-CYBMUJFWSA-N 1 0 325.403 2.520 10 10 EFCERO CN(C)c1cc(F)c(CN2CCO[C@H](CCC[NH+](C)C)C2)cc1F ZINC000862419000 1302377244 /nfs/dbraw/zinc/37/72/44/1302377244.db2.gz ULKYJZFWZHANMJ-OAHLLOKOSA-N 1 0 341.446 2.573 10 10 EFCERO CN(C)c1ccc(/C=C/C[NH2+][C@@](C)(CO)c2cccc(O)c2)cc1 ZINC000862432886 1302383285 /nfs/dbraw/zinc/38/32/85/1302383285.db2.gz QFIURTULNZQMPR-XJDXJNMNSA-N 1 0 326.440 2.969 10 10 EFCERO Cc1ccc(O)c(CNC(=O)C2CCN(c3cc[nH+]cc3C)CC2)c1 ZINC000862758378 1302451492 /nfs/dbraw/zinc/45/14/92/1302451492.db2.gz WSQQEFZOXWNEMF-UHFFFAOYSA-N 1 0 339.439 2.937 10 10 EFCERO C[C@@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(N2CCOCC2)cc1Cl ZINC000863545410 1302644325 /nfs/dbraw/zinc/64/43/25/1302644325.db2.gz RBLXLGHPSVUCGZ-RBSFLKMASA-N 1 0 337.895 2.968 10 10 EFCERO CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000863543633 1302645282 /nfs/dbraw/zinc/64/52/82/1302645282.db2.gz UCIFHKXSMWNGRE-DOPJRALCSA-N 1 0 337.895 2.968 10 10 EFCERO C[C@H]1CC[C@@H](NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[NH2+]1 ZINC000863649928 1302669567 /nfs/dbraw/zinc/66/95/67/1302669567.db2.gz KRZBIQITXQOFMW-GOEBONIOSA-N 1 0 332.448 2.815 10 10 EFCERO CCOC(=O)C1(COC)CC[NH+](Cc2cc(C)cc(C)c2O)CC1 ZINC000794703173 1302993015 /nfs/dbraw/zinc/99/30/15/1302993015.db2.gz KNDQGZKMTUCKPH-UHFFFAOYSA-N 1 0 335.444 2.801 10 10 EFCERO COc1ccc(N2CC[C@@H]([NH2+]Cc3cc4c(cc[nH]c4=O)o3)C2)cc1 ZINC000865622627 1303337147 /nfs/dbraw/zinc/33/71/47/1303337147.db2.gz ZLVBROXSRXIYEC-CYBMUJFWSA-N 1 0 339.395 2.911 10 10 EFCERO CC[C@@H]1C[N@H+](C)CCCN1c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000865925740 1303456669 /nfs/dbraw/zinc/45/66/69/1303456669.db2.gz MDHCONRPLLPSOA-SOIVGHGOSA-N 1 0 347.415 2.702 10 10 EFCERO Cc1ccc([C@@H](C)[NH2+]Cc2nnc(C3CCOCC3)[nH]2)c(O)c1C ZINC000866441902 1303641826 /nfs/dbraw/zinc/64/18/26/1303641826.db2.gz ZHPWOLSOMFKRLP-CYBMUJFWSA-N 1 0 330.432 2.872 10 10 EFCERO C[C@H]([NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32)c1ccc(N2CCOCC2)c(F)c1 ZINC000866446565 1303644599 /nfs/dbraw/zinc/64/45/99/1303644599.db2.gz GDMOHODHCCOUGS-VSOXMLEJSA-N 1 0 346.446 2.736 10 10 EFCERO CC[C@@H]([NH2+]Cc1nc2c(c(=O)[nH]1)COCC2)c1cccc(Cl)c1[O-] ZINC000866629405 1303718871 /nfs/dbraw/zinc/71/88/71/1303718871.db2.gz OCGKWGSQMMBORD-CYBMUJFWSA-N 1 0 349.818 2.855 10 10 EFCERO CC(=O)c1cc(F)cc(CN2CCOc3cc(N)ccc3C2)c1O ZINC000866690990 1303750345 /nfs/dbraw/zinc/75/03/45/1303750345.db2.gz CXIKJYDMFIRVOH-UHFFFAOYSA-N 1 0 330.359 2.711 10 10 EFCERO O=C(NCc1ccccc1O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000869102364 1304610695 /nfs/dbraw/zinc/61/06/95/1304610695.db2.gz XQDRIKWXDIDHEV-KRWDZBQOSA-N 1 0 331.460 2.989 10 10 EFCERO C[NH+]1CCN(c2ccc(CNc3cc4n(n3)CCCC4)cc2)CC1 ZINC000796522293 1305445370 /nfs/dbraw/zinc/44/53/70/1305445370.db2.gz XDZFLEUZQQAKQW-UHFFFAOYSA-N 1 0 325.460 2.583 10 10 EFCERO CC1CCN(c2ccc(CNC(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)cc2)CC1 ZINC000870884354 1305655340 /nfs/dbraw/zinc/65/53/40/1305655340.db2.gz VZIUZLAUGXMWNR-UWVAXJGDSA-N 1 0 327.472 2.667 10 10 EFCERO CN1CCCc2cc(CNC(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)ccc21 ZINC000900434173 1308160391 /nfs/dbraw/zinc/16/03/91/1308160391.db2.gz XEJNNZQQITVEFI-PKOBYXMFSA-N 1 0 327.472 2.702 10 10 EFCERO O=C(NCCCSc1nccs1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000900683915 1308524969 /nfs/dbraw/zinc/52/49/69/1308524969.db2.gz TULMGHPIYUZAJM-STQMWFEESA-N 1 0 325.503 2.758 10 10 EFCERO Oc1cc2c(cc1C[N@@H+]1C[C@@H]3COC[C@H](C1)O3)oc1ccccc12 ZINC000800863148 1308568828 /nfs/dbraw/zinc/56/88/28/1308568828.db2.gz JKMDYZGLAOKTOS-OKILXGFUSA-N 1 0 325.364 2.891 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2ncccc2F)cc1C ZINC001283693598 1319970510 /nfs/dbraw/zinc/97/05/10/1319970510.db2.gz ZCVYEJHBXGBOBI-CQSZACIVSA-N 1 0 345.418 2.788 10 10 EFCERO Cc1cc(CC(=O)NOCC[NH+](C)C)c(C)n1-c1ccc(Cl)cc1 ZINC001161773170 1311969828 /nfs/dbraw/zinc/96/98/28/1311969828.db2.gz GILXKEWAJFVYSD-UHFFFAOYSA-N 1 0 349.862 2.899 10 10 EFCERO CN(C)c1ccc([C@H](CNC(=O)NC/C=C\C2CC2)[NH+](C)C)cc1 ZINC001229247473 1312067551 /nfs/dbraw/zinc/06/75/51/1312067551.db2.gz AAXIUERZIWPCNE-XFHJGTJQSA-N 1 0 330.476 2.621 10 10 EFCERO CN(C)c1ccc([C@H](CNC(=O)NC/C=C/C2CC2)[NH+](C)C)cc1 ZINC001229247471 1312067606 /nfs/dbraw/zinc/06/76/06/1312067606.db2.gz AAXIUERZIWPCNE-QWNKOJSDSA-N 1 0 330.476 2.621 10 10 EFCERO C[C@@H]([NH2+]Cc1ccc(CS(=O)(=O)N(C)C)cc1)c1ccccc1O ZINC000903174772 1312429822 /nfs/dbraw/zinc/42/98/22/1312429822.db2.gz JHAMQSOIDTUNJE-CQSZACIVSA-N 1 0 348.468 2.634 10 10 EFCERO COc1ccc(N2CC[NH+](Cc3cc(OC)ccc3O)CC2)cc1 ZINC000179943034 1314721244 /nfs/dbraw/zinc/72/12/44/1314721244.db2.gz DQSWXZHRAVEZIL-UHFFFAOYSA-N 1 0 328.412 2.732 10 10 EFCERO Oc1cc(Br)ccc1C[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000827151762 1315602311 /nfs/dbraw/zinc/60/23/11/1315602311.db2.gz JFYNCXJOSGONGW-OAHLLOKOSA-N 1 0 326.234 2.892 10 10 EFCERO CC[C@H](CNC(=O)c1ccncc1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001318495560 1328619041 /nfs/dbraw/zinc/61/90/41/1328619041.db2.gz VGVYRKRKTOCPLV-QGZVFWFLSA-N 1 0 327.428 2.697 10 10 EFCERO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(N)cc2)[C@@H]1c1ccc(F)cc1 ZINC001261372227 1316407854 /nfs/dbraw/zinc/40/78/54/1316407854.db2.gz PUTJTBGZPGYNPC-IRXDYDNUSA-N 1 0 328.391 2.975 10 10 EFCERO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CC(C)(C)CS(C)(=O)=O ZINC001262206692 1316452674 /nfs/dbraw/zinc/45/26/74/1316452674.db2.gz JATCGXCMCTUTHS-OLZOCXBDSA-N 1 0 325.474 2.909 10 10 EFCERO COc1ccc(C[NH2+][C@@H](CNC(=O)C(C)(F)F)C2CC2)cc1C ZINC001265343545 1316786513 /nfs/dbraw/zinc/78/65/13/1316786513.db2.gz JYINLINVLJKRTE-AWEZNQCLSA-N 1 0 326.387 2.643 10 10 EFCERO CCOCC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001265662599 1316848015 /nfs/dbraw/zinc/84/80/15/1316848015.db2.gz UGWNDCPWXAURCN-QGZVFWFLSA-N 1 0 334.460 2.511 10 10 EFCERO CCO[C@@H](C)C(=O)NC1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001265729906 1316867745 /nfs/dbraw/zinc/86/77/45/1316867745.db2.gz XNDIPAVFFGBHAL-ZLPCBKJTSA-N 1 0 348.487 2.946 10 10 EFCERO CCc1ccnc(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)c1 ZINC001265777222 1316875788 /nfs/dbraw/zinc/87/57/88/1316875788.db2.gz IHZIKXOSDQVWCC-OAHLLOKOSA-N 1 0 341.455 2.869 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)C[C@@H]2CCCO2)cc1C ZINC001266127187 1317073709 /nfs/dbraw/zinc/07/37/09/1317073709.db2.gz AWAMPFSMTHBDPY-WBVHZDCISA-N 1 0 334.460 2.557 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)C[C@H]2CCCCO2)cc1C ZINC001266136625 1317086005 /nfs/dbraw/zinc/08/60/05/1317086005.db2.gz GBMRPMWYGQGYNS-SJLPKXTDSA-N 1 0 348.487 2.947 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)C[C@H]2CCCCO2)cc1C ZINC001266136624 1317086696 /nfs/dbraw/zinc/08/66/96/1317086696.db2.gz GBMRPMWYGQGYNS-FUHWJXTLSA-N 1 0 348.487 2.947 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2oncc2C)cc1C ZINC001266181051 1317127988 /nfs/dbraw/zinc/12/79/88/1317127988.db2.gz TUXXTRVSNWRFGH-CQSZACIVSA-N 1 0 331.416 2.598 10 10 EFCERO CCC[C@@H](OC)C(=O)N(C)C1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001279273644 1317222481 /nfs/dbraw/zinc/22/24/81/1317222481.db2.gz IOHRKUZXLOESNJ-FAFZWHIHSA-N 1 0 348.487 2.898 10 10 EFCERO COc1ccc(C[NH2+]CC[C@@H]2CCCN(C(=O)C(F)F)C2)cc1C ZINC001318763266 1328692952 /nfs/dbraw/zinc/69/29/52/1328692952.db2.gz ZTTUYKVGGLXJBA-AWEZNQCLSA-N 1 0 340.414 2.987 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3CC34CC4)CCC2)cc1C ZINC001280507491 1317593897 /nfs/dbraw/zinc/59/38/97/1317593897.db2.gz AGAWYPXNVBQQBI-INIZCTEOSA-N 1 0 328.456 2.932 10 10 EFCERO CCC[C@@H](C)C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001280568125 1317619051 /nfs/dbraw/zinc/61/90/51/1317619051.db2.gz ULBNADCGHRRHPM-QAPCUYQASA-N 1 0 348.487 2.757 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)CC(F)(F)F)C2)cc1C ZINC001316612030 1318418982 /nfs/dbraw/zinc/41/89/82/1318418982.db2.gz CDFVHWCXCKEIHO-OKILXGFUSA-N 1 0 344.377 2.940 10 10 EFCERO CCC(=O)N1CCC(OCCC[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001282573500 1319007021 /nfs/dbraw/zinc/00/70/21/1319007021.db2.gz NBUNCMGZVMXGNA-UHFFFAOYSA-N 1 0 348.487 2.901 10 10 EFCERO CC[C@@H]1CCO[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001319202806 1328805727 /nfs/dbraw/zinc/80/57/27/1328805727.db2.gz UGVRXVUKHVOYRC-BJZITVGISA-N 1 0 348.487 2.661 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)Cc2occc2C)cc1C ZINC001319237528 1328817155 /nfs/dbraw/zinc/81/71/55/1328817155.db2.gz CWSHXTKQSSQKDO-AWEZNQCLSA-N 1 0 344.455 2.990 10 10 EFCERO C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C[NH2+]CC1CCCC1 ZINC001319285405 1328831668 /nfs/dbraw/zinc/83/16/68/1328831668.db2.gz LYSKNENCMKCZNL-CYBMUJFWSA-N 1 0 345.447 2.995 10 10 EFCERO C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C[NH2+]CC1CCCC1 ZINC001319285406 1328831968 /nfs/dbraw/zinc/83/19/68/1328831968.db2.gz LYSKNENCMKCZNL-ZDUSSCGKSA-N 1 0 345.447 2.995 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C2CC2)N(C)C(=O)c2ccon2)cc1C ZINC001283482382 1319745127 /nfs/dbraw/zinc/74/51/27/1319745127.db2.gz KCXHZIDVIGVTOQ-QGZVFWFLSA-N 1 0 343.427 2.632 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2ncccc2C)cc1C ZINC001283593519 1319863315 /nfs/dbraw/zinc/86/33/15/1319863315.db2.gz CFVUUZOSHPWFJC-MRXNPFEDSA-N 1 0 341.455 2.957 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2cncc(F)c2)cc1C ZINC001319444178 1328888449 /nfs/dbraw/zinc/88/84/49/1328888449.db2.gz VDKYKQXLQJDFNM-CQSZACIVSA-N 1 0 345.418 2.788 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)c2[nH]ccc2C)cc1C ZINC001319455971 1328890952 /nfs/dbraw/zinc/89/09/52/1328890952.db2.gz ZKZFMCMWGJOYCZ-HNNXBMFYSA-N 1 0 329.444 2.890 10 10 EFCERO O=C(Cc1ccc(O)c(O)c1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001290312536 1321897543 /nfs/dbraw/zinc/89/75/43/1321897543.db2.gz MOFDIVRGXCFKQD-KRWDZBQOSA-N 1 0 340.423 2.594 10 10 EFCERO COc1ccc(C[NH2+][C@H](CNC(=O)C(C)(F)F)C(C)C)cc1C ZINC001319890500 1329029771 /nfs/dbraw/zinc/02/97/71/1329029771.db2.gz NTYMOSOAJYAERN-CQSZACIVSA-N 1 0 328.403 2.889 10 10 EFCERO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCC[C@@H]2O)ccc1N1CCCCC1 ZINC000742384213 1322635921 /nfs/dbraw/zinc/63/59/21/1322635921.db2.gz VVLLVKZEIWTQKO-QAPCUYQASA-N 1 0 333.432 2.836 10 10 EFCERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2[nH]cnc2C)C(C)C)cc1C ZINC001319968009 1329045470 /nfs/dbraw/zinc/04/54/70/1329045470.db2.gz JYPRSBNXKVCBFH-INIZCTEOSA-N 1 0 344.459 2.579 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@H]2CCCOCC2)cc1C ZINC001492013703 1324132487 /nfs/dbraw/zinc/13/24/87/1324132487.db2.gz OUCDWXLIJRCGLK-AEFFLSMTSA-N 1 0 348.487 2.805 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@H]2CCCOCC2)cc1C ZINC001492013712 1324132817 /nfs/dbraw/zinc/13/28/17/1324132817.db2.gz OUCDWXLIJRCGLK-WMZOPIPTSA-N 1 0 348.487 2.805 10 10 EFCERO O=C(NCc1cc(O)ccc1O)C1CC[NH+](Cc2ccccc2)CC1 ZINC001303223556 1324598755 /nfs/dbraw/zinc/59/87/55/1324598755.db2.gz VBSXNRKTWZJDCC-UHFFFAOYSA-N 1 0 340.423 2.626 10 10 EFCERO O=C(NCc1cc(O)ccc1O)c1ccc(C[NH+]2CCCCC2)o1 ZINC001303226372 1324599068 /nfs/dbraw/zinc/59/90/68/1324599068.db2.gz CXWRTMXNDBNBSF-UHFFFAOYSA-N 1 0 330.384 2.607 10 10 EFCERO COc1cc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1OC ZINC001306993240 1324737641 /nfs/dbraw/zinc/73/76/41/1324737641.db2.gz BWMRLNUWVVTHIJ-QWHCGFSZSA-N 1 0 335.404 2.533 10 10 EFCERO C[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)NC(=O)Nc1ccccc1F ZINC001308010722 1324789029 /nfs/dbraw/zinc/78/90/29/1324789029.db2.gz XIUDANQFDDWCNQ-VXGBXAGGSA-N 1 0 345.374 2.919 10 10 EFCERO CCC(CC)C[N@H+](C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001317473666 1324794141 /nfs/dbraw/zinc/79/41/41/1324794141.db2.gz ZWOPJRDXTNFFDB-UHFFFAOYSA-N 1 0 333.436 2.947 10 10 EFCERO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC(C)(C)[C@H]3CCC[C@H]32)cc1 ZINC001308137887 1324796076 /nfs/dbraw/zinc/79/60/76/1324796076.db2.gz VXEBAOAXVIXNMI-ZWKOTPCHSA-N 1 0 329.488 2.879 10 10 EFCERO CC(C)[N@H+](CCCNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001316927975 1325373741 /nfs/dbraw/zinc/37/37/41/1325373741.db2.gz UUICJXCWFNOPBQ-UHFFFAOYSA-N 1 0 331.420 2.842 10 10 EFCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)c2cscn2)cc1C ZINC001321002964 1329330332 /nfs/dbraw/zinc/33/03/32/1329330332.db2.gz ZNFMZJXRUHDNIG-ONEGZZNKSA-N 1 0 331.441 2.536 10 10 EFCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)[C@H]2C[C@@H]2C(F)F)cc1C ZINC001321045507 1329336212 /nfs/dbraw/zinc/33/62/12/1329336212.db2.gz VZUYIEWFWVDNSZ-CGXNLCPXSA-N 1 0 338.398 2.667 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2nc(C)c(C)s2)cc1C ZINC001317286631 1327821149 /nfs/dbraw/zinc/82/11/49/1327821149.db2.gz NWDUODFJRDFPQI-GFCCVEGCSA-N 1 0 347.484 2.985 10 10 EFCERO CCC(CC)C[NH2+][C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001317289563 1327824950 /nfs/dbraw/zinc/82/49/50/1327824950.db2.gz NWIOPJROXDTMNI-LBPRGKRZSA-N 1 0 333.436 2.993 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2nc(C)oc2C)cc1C ZINC001317408161 1327959515 /nfs/dbraw/zinc/95/95/15/1327959515.db2.gz JJQFDCIGVWCHAB-CYBMUJFWSA-N 1 0 345.443 2.907 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)NCC[N@H+](CC2CCC2)C2CC2)cc1 ZINC001317561187 1328145416 /nfs/dbraw/zinc/14/54/16/1328145416.db2.gz WAXQKONULMWNSO-UHFFFAOYSA-N 1 0 343.431 2.843 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2conc2C2CC2)cc1C ZINC001321981408 1329420690 /nfs/dbraw/zinc/42/06/90/1329420690.db2.gz QWUCQYDIODETKJ-ZDUSSCGKSA-N 1 0 343.427 2.777 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)C(C)(C)C(F)F)cc1C ZINC001321978373 1329420741 /nfs/dbraw/zinc/42/07/41/1329420741.db2.gz NBUOEKOXUWKHFD-LBPRGKRZSA-N 1 0 328.403 2.889 10 10 EFCERO CN1CCN(c2ccc(C[N@@H+]3CCCCC[C@@H]3CCO)cc2F)CC1 ZINC001322316259 1329446402 /nfs/dbraw/zinc/44/64/02/1329446402.db2.gz WHQJZPFDLANSOY-GOSISDBHSA-N 1 0 349.494 2.705 10 10 EFCERO COc1ccc(C[NH2+]CCCN(C)C(=O)Cc2ccco2)cc1C ZINC001322751152 1329485023 /nfs/dbraw/zinc/48/50/23/1329485023.db2.gz FTZCMTOZHIENPH-UHFFFAOYSA-N 1 0 330.428 2.777 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)c3oc(C)nc3C)CC2)cc1C ZINC001323411081 1329541761 /nfs/dbraw/zinc/54/17/61/1329541761.db2.gz GKISPWGQOVLYMH-UHFFFAOYSA-N 1 0 343.427 2.661 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)c3cccnc3C)CC2)cc1C ZINC001323526325 1329549495 /nfs/dbraw/zinc/54/94/95/1329549495.db2.gz WYHHKUIPTXADIT-UHFFFAOYSA-N 1 0 339.439 2.759 10 10 EFCERO COCCC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@H]1C ZINC001324043527 1329593342 /nfs/dbraw/zinc/59/33/42/1329593342.db2.gz TVKYWEMCFIQLII-WBVHZDCISA-N 1 0 334.460 2.509 10 10 EFCERO COCCC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@@H]1C ZINC001324043525 1329593535 /nfs/dbraw/zinc/59/35/35/1329593535.db2.gz TVKYWEMCFIQLII-RDJZCZTQSA-N 1 0 334.460 2.509 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2ccc(F)nc2)cc1C ZINC001329007617 1330656481 /nfs/dbraw/zinc/65/64/81/1330656481.db2.gz KAIOTGCAPZMBGV-ZIAGYGMSSA-N 1 0 345.418 2.834 10 10 EFCERO CCc1oncc1C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001329135532 1330672535 /nfs/dbraw/zinc/67/25/35/1330672535.db2.gz YMCMCGWRJOKHJJ-ZIAGYGMSSA-N 1 0 345.443 2.851 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2c[nH]cc2C)cc1C ZINC001329198472 1330679806 /nfs/dbraw/zinc/67/98/06/1330679806.db2.gz XEKSWKVBLHRJPX-GJZGRUSLSA-N 1 0 329.444 2.937 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C2CC(F)(F)C2)cc1C ZINC001331425349 1330836013 /nfs/dbraw/zinc/83/60/13/1330836013.db2.gz ZCKWYABEJJMATB-CYBMUJFWSA-N 1 0 340.414 2.985 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2CC2(F)F)cc1C ZINC001331444142 1330838073 /nfs/dbraw/zinc/83/80/73/1330838073.db2.gz WTTJNHKRYJOORP-TZMCWYRMSA-N 1 0 326.387 2.595 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](OC)C2CCC2)cc1C ZINC001331514562 1330846187 /nfs/dbraw/zinc/84/61/87/1330846187.db2.gz BECZXXDNEUPPAZ-KXBFYZLASA-N 1 0 348.487 2.755 10 10 EFCERO COC(=O)c1c(C[NH2+][C@@H]2CCC[C@@H]2CCO)c2cc(F)ccc2n1C ZINC001331566418 1330853914 /nfs/dbraw/zinc/85/39/14/1330853914.db2.gz PNMVHUKAKWQTLN-MLGOLLRUSA-N 1 0 348.418 2.745 10 10 EFCERO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001331602819 1330858794 /nfs/dbraw/zinc/85/87/94/1330858794.db2.gz FTORQVBDUAALCD-SKDRFNHKSA-N 1 0 332.425 2.525 10 10 EFCERO COC(=O)c1c(C[NH2+]C[C@@H]2CCC[C@@H](O)C2)c2cc(F)ccc2n1C ZINC001332706208 1331005504 /nfs/dbraw/zinc/00/55/04/1331005504.db2.gz VWDJOSDGQUTLFV-TZMCWYRMSA-N 1 0 348.418 2.745 10 10 EFCERO CN1CCN(c2ccc(C[NH2+]C3([C@H]4CCCCO4)CC3)cc2F)CC1 ZINC001333519077 1331158521 /nfs/dbraw/zinc/15/85/21/1331158521.db2.gz KZWONSGCDWWECN-LJQANCHMSA-N 1 0 347.478 2.769 10 10 EFCERO CCN(CC)c1ccc(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)cc1F ZINC001333735460 1331204731 /nfs/dbraw/zinc/20/47/31/1331204731.db2.gz IHIUEMAOTUNWOA-IBGZPJMESA-N 1 0 333.451 2.774 10 10 EFCERO CN1CCN(c2ccc(C[N@@H+]3CC[C@H]([C@@H]4CCCO4)C3)cc2F)CC1 ZINC001333736160 1331205209 /nfs/dbraw/zinc/20/52/09/1331205209.db2.gz RCITUXOIFNTJDJ-PXNSSMCTSA-N 1 0 347.478 2.578 10 10 EFCERO COCC[N@@H+]1CCN(Cc2ccc(N3CCCC3)cc2)C(C)(C)C1 ZINC001346166449 1332606849 /nfs/dbraw/zinc/60/68/49/1332606849.db2.gz XERDGUHDNKFKQZ-UHFFFAOYSA-N 1 0 331.504 2.829 10 10 EFCERO CC[N@H+](Cc1ccc(N2CCN(C)CC2)c(F)c1)[C@@H]1CCCOC1 ZINC001346206253 1332611054 /nfs/dbraw/zinc/61/10/54/1332611054.db2.gz QOXIIIVSUQNLBW-QGZVFWFLSA-N 1 0 335.467 2.578 10 10 EFCERO O=C(NCC12CCC[NH+](CCC1)C2)c1cc2cc(O)c(O)cc2s1 ZINC001347351845 1332736538 /nfs/dbraw/zinc/73/65/38/1332736538.db2.gz IEHTWXYPWBSIMJ-UHFFFAOYSA-N 1 0 346.452 2.918 10 10 EFCERO c1cc(N2CCCC2)ccc1CN[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001350646428 1333107978 /nfs/dbraw/zinc/10/79/78/1333107978.db2.gz IJAPOUZBCKGRCU-GOSISDBHSA-N 1 0 329.488 2.535 10 10 EFCERO c1ncn(-c2cc(C[NH2+]Cc3ccc(N4CCCC4)cc3)ccn2)n1 ZINC001351781615 1333286510 /nfs/dbraw/zinc/28/65/10/1333286510.db2.gz CZVDXAJCPKVCSB-UHFFFAOYSA-N 1 0 334.427 2.552 10 10 EFCERO CC1CCN(c2ccc(CNC(=O)CN3CC(C)(C)C3)cc2)CC1 ZINC000847474462 1333771334 /nfs/dbraw/zinc/77/13/34/1333771334.db2.gz MQJLAVCEWQPKBA-UHFFFAOYSA-N 1 0 329.488 2.881 10 10 EFCERO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C[C@H]2OCc3ccccc32)cc1 ZINC000848393622 1334705186 /nfs/dbraw/zinc/70/51/86/1334705186.db2.gz IHYLNCSOOUHABK-RBUKOAKNSA-N 1 0 339.439 2.530 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CCOC2)c1O ZINC000848526538 1334775236 /nfs/dbraw/zinc/77/52/36/1334775236.db2.gz ATKYHNDVHMHOJT-ZJUUUORDSA-N 1 0 330.222 2.850 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@](C)(O)C2CC2)c1O ZINC000848527446 1334775609 /nfs/dbraw/zinc/77/56/09/1334775609.db2.gz AXCHLZJVOQRTQF-PSLIRLAXSA-N 1 0 344.249 2.975 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+][C@H](CCO)C2CC2)c1O ZINC000848534709 1334780633 /nfs/dbraw/zinc/78/06/33/1334780633.db2.gz UFNMGKZBBBCPNL-TVQRCGJNSA-N 1 0 344.249 2.975 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+]CCC[C@@H](C)O)c1O ZINC000848549127 1334788810 /nfs/dbraw/zinc/78/88/10/1334788810.db2.gz KWSJBJZNJUKGOL-NXEZZACHSA-N 1 0 332.238 2.975 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+]CCC2CC(O)C2)c1O ZINC000848547780 1334788832 /nfs/dbraw/zinc/78/88/32/1334788832.db2.gz UHIHDEZBCIZQPB-GRZMOONWSA-N 1 0 344.249 2.975 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+]CCCCCO)c1O ZINC000848548933 1334788972 /nfs/dbraw/zinc/78/89/72/1334788972.db2.gz HOMLFUUYVLRVEX-JTQLQIEISA-N 1 0 332.238 2.977 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+]CCC2(CO)CC2)c1O ZINC000848553237 1334791235 /nfs/dbraw/zinc/79/12/35/1334791235.db2.gz JBTYVMPIXNZCHG-JTQLQIEISA-N 1 0 344.249 2.977 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](O)C2CCC2)c1O ZINC000848553589 1334791772 /nfs/dbraw/zinc/79/17/72/1334791772.db2.gz WKHVEUCMAAPKRS-NOZJJQNGSA-N 1 0 344.249 2.975 10 10 EFCERO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cc4n(n3)CCCC4)C2)cc1 ZINC000848556280 1334792506 /nfs/dbraw/zinc/79/25/06/1334792506.db2.gz SENUZAIOVLFDPQ-INIZCTEOSA-N 1 0 340.471 2.844 10 10 EFCERO CO[C@](C)(CO)C[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000848556878 1334793628 /nfs/dbraw/zinc/79/36/28/1334793628.db2.gz AMNUKIOAGZKWEE-HZMBPMFUSA-N 1 0 332.238 2.511 10 10 EFCERO CCc1cccc(C[NH2+][C@@H]2CCCN(c3cccnc3)C2=O)c1O ZINC000848903243 1334974202 /nfs/dbraw/zinc/97/42/02/1334974202.db2.gz ZRIMHODZLBPMIA-QGZVFWFLSA-N 1 0 325.412 2.635 10 10 EFCERO CCc1cccc(C[NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)c1O ZINC000848905719 1334975415 /nfs/dbraw/zinc/97/54/15/1334975415.db2.gz LVMICBDTPDARAH-GOSISDBHSA-N 1 0 342.414 2.984 10 10 EFCERO Oc1ccc(Br)cc1C[NH2+]Cc1cc2n(n1)CCCC2 ZINC000848910303 1334979271 /nfs/dbraw/zinc/97/92/71/1334979271.db2.gz IDJHVNOYZATKJV-UHFFFAOYSA-N 1 0 336.233 2.977 10 10 EFCERO CCc1cccc(C[NH+]2CCN(c3ccc(OC)cn3)CC2)c1O ZINC000848915077 1334982797 /nfs/dbraw/zinc/98/27/97/1334982797.db2.gz SHBFDMIEUBFOQW-UHFFFAOYSA-N 1 0 327.428 2.680 10 10 EFCERO CCc1cccc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)c1O ZINC000848914134 1334982805 /nfs/dbraw/zinc/98/28/05/1334982805.db2.gz IVTPZZWZEHSXIK-OAHLLOKOSA-N 1 0 331.437 2.615 10 10 EFCERO COc1cc(Cl)cc(C[NH2+]C[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000848923122 1334989629 /nfs/dbraw/zinc/98/96/29/1334989629.db2.gz GQPBOLKRJSMIPW-RWMBFGLXSA-N 1 0 342.867 2.642 10 10 EFCERO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCSC[C@@H]2C(C)(C)C)cc1 ZINC001473750366 1335501476 /nfs/dbraw/zinc/50/14/76/1335501476.db2.gz NGVAOWSOGCIQFQ-QGZVFWFLSA-N 1 0 349.544 2.832 10 10 EFCERO C[C@@H](Cn1c(C2CCC2)nnc1N(C)Cc1ccccc1O)[NH+](C)C ZINC001360559097 1335943238 /nfs/dbraw/zinc/94/32/38/1335943238.db2.gz WIZPZIZNJJYPDI-AWEZNQCLSA-N 1 0 343.475 2.838 10 10 EFCERO C[N@H+](CCc1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1)C1CC1 ZINC001446973083 1391649270 /nfs/dbraw/zinc/64/92/70/1391649270.db2.gz MCWNPKVBJMWHFE-UHFFFAOYSA-N 1 0 340.423 2.916 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)CC[C@@H]2CCOC2)cc1C ZINC001507060139 1406649704 /nfs/dbraw/zinc/64/97/04/1406649704.db2.gz IXRYHCDUBSHGMF-DLBZAZTESA-N 1 0 348.487 2.757 10 10 EFCERO CCc1nc(C(=O)N(C)C[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)co1 ZINC001507066018 1406658049 /nfs/dbraw/zinc/65/80/49/1406658049.db2.gz MGJAIOJBVQQSCC-CQSZACIVSA-N 1 0 345.443 2.804 10 10 EFCERO CC[NH+](CC)Cc1ccc(C(=O)NCc2c(O)cccc2O)cc1 ZINC001456310544 1394664126 /nfs/dbraw/zinc/66/41/26/1394664126.db2.gz CJHHEURZMUOGQL-UHFFFAOYSA-N 1 0 328.412 2.870 10 10 EFCERO Cc1cccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1O ZINC001456936473 1394874946 /nfs/dbraw/zinc/87/49/46/1394874946.db2.gz SMKPGZPTLIOSOT-SFHVURJKSA-N 1 0 341.455 2.799 10 10 EFCERO CCN(CC)c1ccc(CNC(=O)c2ccc(C[NH+](C)C)nc2)cc1 ZINC001464302303 1396564765 /nfs/dbraw/zinc/56/47/65/1396564765.db2.gz SXEWGQGVKMDFEC-UHFFFAOYSA-N 1 0 340.471 2.919 10 10 EFCERO C[C@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)C1CCC1 ZINC001469657873 1397046296 /nfs/dbraw/zinc/04/62/96/1397046296.db2.gz BJFGTIWNZDCJBO-KBXCAEBGSA-N 1 0 332.492 2.843 10 10 EFCERO C[C@@H]1[C@H](NC(=O)N(C)Cc2ccc(N3CCCC3)cc2)CC[N@@H+]1C ZINC001479377616 1397707950 /nfs/dbraw/zinc/70/79/50/1397707950.db2.gz WNIFQUPWQQVZMR-CRAIPNDOSA-N 1 0 330.476 2.521 10 10 EFCERO COc1ccc(C[NH2+][C@H](CNC(=O)C[C@H]2CCCO2)C2CC2)cc1C ZINC001480005427 1398084499 /nfs/dbraw/zinc/08/44/99/1398084499.db2.gz RZOXMEUYTYPRKB-QZTJIDSGSA-N 1 0 346.471 2.557 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)c2cc3occc3[nH]2)cc1C ZINC001493568088 1398755925 /nfs/dbraw/zinc/75/59/25/1398755925.db2.gz QXSCCEDBXJFSEJ-UHFFFAOYSA-N 1 0 341.411 2.940 10 10 EFCERO CCO[C@H](C)C(=O)N1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C(C)(C)C1 ZINC001507425068 1407038745 /nfs/dbraw/zinc/03/87/45/1407038745.db2.gz FHHCNFJKRSHZPI-QAPCUYQASA-N 1 0 348.487 2.755 10 10 EFCERO CC[C@H](CNC(=O)CC1CCOCC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001494954271 1399576098 /nfs/dbraw/zinc/57/60/98/1399576098.db2.gz UJHRXVQKVUUENR-GOSISDBHSA-N 1 0 348.487 2.805 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2ccccc2O)cc1C ZINC001495623745 1400125993 /nfs/dbraw/zinc/12/59/93/1400125993.db2.gz SVFIQWVGLSEYQE-CQSZACIVSA-N 1 0 342.439 2.865 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2cnccc2C)cc1C ZINC001495634632 1400132998 /nfs/dbraw/zinc/13/29/98/1400132998.db2.gz LSINPWBSAJZZMV-CQSZACIVSA-N 1 0 341.455 2.863 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2cnccc2C)cc1C ZINC001495634629 1400133513 /nfs/dbraw/zinc/13/35/13/1400133513.db2.gz LSINPWBSAJZZMV-AWEZNQCLSA-N 1 0 341.455 2.863 10 10 EFCERO C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C[NH2+]CC1CC(C)C1 ZINC001495812117 1400287031 /nfs/dbraw/zinc/28/70/31/1400287031.db2.gz FAHXBSQARDDNMC-MOKVOYLWSA-N 1 0 345.447 2.851 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C[C@@H]2CCCCO2)cc1C ZINC001496043227 1400437035 /nfs/dbraw/zinc/43/70/35/1400437035.db2.gz SBSYBUWGLIUTHA-WMZOPIPTSA-N 1 0 348.487 2.899 10 10 EFCERO C[C@H](C[NH2+]C/C=C/Cl)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001496243940 1400566389 /nfs/dbraw/zinc/56/63/89/1400566389.db2.gz NFWPJQOGWOCWMN-PTLDBEGOSA-N 1 0 337.811 2.652 10 10 EFCERO CCc1cc(C(=O)N(CC)CC[NH2+]Cc2ccc(OC)c(C)c2)[nH]n1 ZINC001497351054 1401321249 /nfs/dbraw/zinc/32/12/49/1401321249.db2.gz CIDXZKKTTWTBFP-UHFFFAOYSA-N 1 0 344.459 2.541 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2cnccc2C)cc1C ZINC001498025331 1401817393 /nfs/dbraw/zinc/81/73/93/1401817393.db2.gz AZRMXFLFAXMRPG-HNNXBMFYSA-N 1 0 327.428 2.615 10 10 EFCERO CC[C@@H]1OCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001498583949 1402185893 /nfs/dbraw/zinc/18/58/93/1402185893.db2.gz VHZTYCRSOBPNDX-MSOLQXFVSA-N 1 0 348.487 2.757 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](NC(=O)c2nocc2C)C2CC2)cc1C ZINC001498846211 1402332665 /nfs/dbraw/zinc/33/26/65/1402332665.db2.gz HPIXICUPWLMCBI-INIZCTEOSA-N 1 0 343.427 2.598 10 10 EFCERO C[C@H](F)CC[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001499955619 1402868760 /nfs/dbraw/zinc/86/87/60/1402868760.db2.gz VMXRVCRBGIIZPT-WFASDCNBSA-N 1 0 349.410 2.791 10 10 EFCERO C[C@H](F)CC[NH2+]C[C@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001499955618 1402869003 /nfs/dbraw/zinc/86/90/03/1402869003.db2.gz VMXRVCRBGIIZPT-SWLSCSKDSA-N 1 0 349.410 2.791 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)[C@H](C)OC)C2CCCC2)cc1C ZINC001500075417 1402925494 /nfs/dbraw/zinc/92/54/94/1402925494.db2.gz OMXDLQNTJWNPEC-MAUKXSAKSA-N 1 0 348.487 2.803 10 10 EFCERO CC[C@@H](OC)C(=O)N(C)C1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001508099911 1407297566 /nfs/dbraw/zinc/29/75/66/1407297566.db2.gz XUSPCLDPUUAFOH-OFLPRAFFSA-N 1 0 334.460 2.508 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3CCO[C@H]3C)CCC2)cc1C ZINC001502012074 1403946724 /nfs/dbraw/zinc/94/67/24/1403946724.db2.gz UXNLPRNFVFKMMO-DOTOQJQBSA-N 1 0 346.471 2.557 10 10 EFCERO CN(CCC[N@H+](C)CCCF)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001502403119 1404141890 /nfs/dbraw/zinc/14/18/90/1404141890.db2.gz FIPNRDUJGLIZLL-UHFFFAOYSA-N 1 0 337.399 2.603 10 10 EFCERO COCCC(=O)N1CCC(C)([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001502764480 1404332600 /nfs/dbraw/zinc/33/26/00/1404332600.db2.gz MASBQVWFQZICIY-UHFFFAOYSA-N 1 0 334.460 2.511 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)C[C@@H]2CCCOC2)cc1C ZINC001503630670 1404491431 /nfs/dbraw/zinc/49/14/31/1404491431.db2.gz QCLSIRLOWRWZTE-WMZOPIPTSA-N 1 0 348.487 2.805 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2cccnc2)cc1C ZINC001505547088 1404757087 /nfs/dbraw/zinc/75/70/87/1404757087.db2.gz FXRYEDGFUKHIGI-HUUCEWRRSA-N 1 0 327.428 2.695 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2ncoc2C)cc1C ZINC001505570258 1404792420 /nfs/dbraw/zinc/79/24/20/1404792420.db2.gz KCBRGNFGGUUFSR-CHWSQXEVSA-N 1 0 331.416 2.597 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C(=O)C(C)(C)C)cc1C ZINC001505579697 1404806038 /nfs/dbraw/zinc/80/60/38/1404806038.db2.gz ZVBRUTCYCAPRMX-KGLIPLIRSA-N 1 0 334.460 2.602 10 10 EFCERO CC(C)=CC[NH2+][C@H](C)[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001505765475 1405041371 /nfs/dbraw/zinc/04/13/71/1405041371.db2.gz SSWWGIJVKQHIKU-OLZOCXBDSA-N 1 0 331.420 2.912 10 10 EFCERO C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[N@@H+](C)CC[C@H](C)F ZINC001506067717 1405428309 /nfs/dbraw/zinc/42/83/09/1405428309.db2.gz TWUFRZDSHDOHHL-NWDGAFQWSA-N 1 0 337.399 2.647 10 10 EFCERO C[C@H](NC(=O)c1ccc(C[NH+](C)C)nc1)c1ccc(N(C)C)cc1 ZINC001556260198 1415060573 /nfs/dbraw/zinc/06/05/73/1415060573.db2.gz DCAZJWBPRYZITM-AWEZNQCLSA-N 1 0 326.444 2.700 10 10 EFCERO CCCN(CCC[NH+](C)C)c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC001559169771 1415227941 /nfs/dbraw/zinc/22/79/41/1415227941.db2.gz RLHQLJDZNQSPIK-NTMALXAHSA-N 1 0 349.431 2.949 10 10 EFCERO COC(=O)c1ccc2[nH]c(C[NH2+][C@H](C)c3ccccc3O)nc2c1 ZINC001560075161 1415262414 /nfs/dbraw/zinc/26/24/14/1415262414.db2.gz UUCBVXBJSWJFEN-LLVKDONJSA-N 1 0 325.368 2.906 10 10 EFCERO COc1ccc(O)c([C@@H](C)NC(=O)C2CC[NH+](CC(C)C)CC2)c1 ZINC001566374594 1415543991 /nfs/dbraw/zinc/54/39/91/1415543991.db2.gz NMUMEUWFPPFNOL-CQSZACIVSA-N 1 0 334.460 2.946 10 10 EFCERO CCCCC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001566864238 1415805048 /nfs/dbraw/zinc/80/50/48/1415805048.db2.gz YJMSWEJXUAZNID-GASCZTMLSA-N 1 0 331.420 2.890 10 10 EFCERO CC/C=C/CC[NH2+][C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001567083754 1415928708 /nfs/dbraw/zinc/92/87/08/1415928708.db2.gz SGRXPIHDRJQKKD-FTPQYCNRSA-N 1 0 331.420 2.913 10 10 EFCERO CCOCC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001567157788 1415956944 /nfs/dbraw/zinc/95/69/44/1415956944.db2.gz TVUYCJQKMZNIHB-DLBZAZTESA-N 1 0 334.460 2.557 10 10 EFCERO CCOCC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001567157790 1415957106 /nfs/dbraw/zinc/95/71/06/1415957106.db2.gz TVUYCJQKMZNIHB-IRXDYDNUSA-N 1 0 334.460 2.557 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)CC[C@@H]2CC[C@H](C)O2)cc1C ZINC001567609622 1416208785 /nfs/dbraw/zinc/20/87/85/1416208785.db2.gz ZOUYCJUPUVGDSG-WMZOPIPTSA-N 1 0 348.487 2.899 10 10 EFCERO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)Cc1ccc(O)c(O)c1)[NH+](C)C ZINC001567696391 1416252079 /nfs/dbraw/zinc/25/20/79/1416252079.db2.gz KXXINVJNZFGOJI-JLTOFOAXSA-N 1 0 342.439 2.756 10 10 EFCERO Cc1ccccc1[C@H]([C@H](C)NC(=O)Cc1ccc(O)c(O)c1)[NH+](C)C ZINC001567696403 1416252225 /nfs/dbraw/zinc/25/22/25/1416252225.db2.gz KXXINVJNZFGOJI-XOBRGWDASA-N 1 0 342.439 2.756 10 10 EFCERO COc1ccc(C[NH2+]CC2(NC(=O)CC(C)(C)O)CCCC2)cc1C ZINC001567997393 1416354201 /nfs/dbraw/zinc/35/42/01/1416354201.db2.gz BDGNQLZZLJZYOS-UHFFFAOYSA-N 1 0 348.487 2.683 10 10 EFCERO CC[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001568185092 1416435850 /nfs/dbraw/zinc/43/58/50/1416435850.db2.gz KELXLBFVSXHITQ-OLMNPRSZSA-N 1 0 348.487 2.661 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@@]2(C)CCCOC2)cc1C ZINC001568202421 1416440443 /nfs/dbraw/zinc/44/04/43/1416440443.db2.gz UAXYFGRHMPZCIC-YWZLYKJASA-N 1 0 348.487 2.662 10 10 EFCERO CC[C@@H](C)C[NH2+]C[C@H](C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001568323021 1416476670 /nfs/dbraw/zinc/47/66/70/1416476670.db2.gz UVKJYGVTPUYMQF-OLZOCXBDSA-N 1 0 333.436 2.945 10 10 EFCERO COCC(=O)N[C@H](C[NH2+]Cc1ccc(OC)c(C)c1)C1CCCCC1 ZINC001568340092 1416482285 /nfs/dbraw/zinc/48/22/85/1416482285.db2.gz IODQBHAOQQKEAX-GOSISDBHSA-N 1 0 348.487 2.805 10 10 EFCERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2cnc(C)[nH]2)C(C)C)cc1C ZINC001568445319 1416536169 /nfs/dbraw/zinc/53/61/69/1416536169.db2.gz IJDSJMDMPUCZGJ-INIZCTEOSA-N 1 0 344.459 2.579 10 10 EFCERO Cc1cc(CN2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)ccc1N1CCCCC1 ZINC001646272914 1416641021 /nfs/dbraw/zinc/64/10/21/1416641021.db2.gz MRAQXTLTVLTJAJ-MOPGFXCFSA-N 1 0 345.531 2.872 10 10 EFCERO CN(C)c1ccc([C@H](CNC(=O)NC2(C)CCCC2)[NH+](C)C)cc1 ZINC001685608810 1416769071 /nfs/dbraw/zinc/76/90/71/1416769071.db2.gz HLQDFAPZXKVZEP-KRWDZBQOSA-N 1 0 332.492 2.987 10 10 EFCERO CC1(C)CC[N@H+](CCNC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC001685648559 1416769918 /nfs/dbraw/zinc/76/99/18/1416769918.db2.gz NWHAPHNZWGQQDO-UHFFFAOYSA-N 1 0 345.487 2.802 10 10 EFCERO CCC[N@@H+]1CC[C@@H](NC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC001686827021 1416811015 /nfs/dbraw/zinc/81/10/15/1416811015.db2.gz UZNWTNQRRZVPJZ-SJLPKXTDSA-N 1 0 346.519 2.776 10 10 EFCERO COc1ccc(C[NH2+][C@H](CNC(=O)c2ccns2)C2CC2)cc1C ZINC001690153775 1417165155 /nfs/dbraw/zinc/16/51/55/1417165155.db2.gz UAQAGFDGTNHSEZ-OAHLLOKOSA-N 1 0 345.468 2.758 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)COC(C)(C)C)C2)cc1C ZINC001690333592 1417192341 /nfs/dbraw/zinc/19/23/41/1417192341.db2.gz LWUWUSNFBKHSBO-IYBDPMFKSA-N 1 0 334.460 2.556 10 10 EFCERO CCOCCC(=O)NC1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001690528975 1417220776 /nfs/dbraw/zinc/22/07/76/1417220776.db2.gz ORBSJWYMGVHASM-UHFFFAOYSA-N 1 0 348.487 2.947 10 10 EFCERO COc1ccc(C[NH2+][C@H](CNC(=O)c2nocc2C)C(C)C)cc1C ZINC001698977560 1417359062 /nfs/dbraw/zinc/35/90/62/1417359062.db2.gz KHFMVUTVDNPXPW-MRXNPFEDSA-N 1 0 345.443 2.844 10 10 EFCERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2nocc2C)C(C)C)cc1C ZINC001698977559 1417359228 /nfs/dbraw/zinc/35/92/28/1417359228.db2.gz KHFMVUTVDNPXPW-INIZCTEOSA-N 1 0 345.443 2.844 10 10 EFCERO COc1ccc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)COC(C)C)cc1C ZINC001699019006 1417370870 /nfs/dbraw/zinc/37/08/70/1417370870.db2.gz YLJWBOSCSKHXBW-QZTJIDSGSA-N 1 0 348.487 2.803 10 10 EFCERO COc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)COC(C)C)cc1C ZINC001699019005 1417371153 /nfs/dbraw/zinc/37/11/53/1417371153.db2.gz YLJWBOSCSKHXBW-MSOLQXFVSA-N 1 0 348.487 2.803 10 10 EFCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)Cc2ccco2)cc1C ZINC001699144183 1417402553 /nfs/dbraw/zinc/40/25/53/1417402553.db2.gz VJNQPEPAJUHYOS-HNNXBMFYSA-N 1 0 330.428 2.824 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2ocnc2C2CC2)cc1C ZINC001699379083 1417424265 /nfs/dbraw/zinc/42/42/65/1417424265.db2.gz OFTMFAGXTWBJSQ-CYBMUJFWSA-N 1 0 343.427 2.777 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)N2CCCC[C@@H]2C[NH2+]CCCF)cc1 ZINC001700127069 1417576613 /nfs/dbraw/zinc/57/66/13/1417576613.db2.gz NVRKCAMZSWNZPE-OAHLLOKOSA-N 1 0 349.410 2.793 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)NCC2([NH2+]C/C=C/Cl)CCC2)cc1 ZINC001700142848 1417582049 /nfs/dbraw/zinc/58/20/49/1417582049.db2.gz GOOCBRNDBOLLCP-QIXHCJIDSA-N 1 0 349.822 2.844 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)Cc2ccc[nH]2)cc1C ZINC001700777891 1417644960 /nfs/dbraw/zinc/64/49/60/1417644960.db2.gz RZOWBGKIXMJMFI-OAHLLOKOSA-N 1 0 329.444 2.511 10 10 EFCERO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)CCOC(C)C)C2)cc1C ZINC001700833340 1417661934 /nfs/dbraw/zinc/66/19/34/1417661934.db2.gz URFIFISBDWVCAM-SJLPKXTDSA-N 1 0 348.487 2.898 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)CCC(F)(F)F)cc1C ZINC001713305244 1418465309 /nfs/dbraw/zinc/46/53/09/1418465309.db2.gz KOXVWKUMBDHLEC-GFCCVEGCSA-N 1 0 332.366 2.940 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2csnc2C)cc1C ZINC001714227093 1418590801 /nfs/dbraw/zinc/59/08/01/1418590801.db2.gz WIDHJJOGLIGCJS-LBPRGKRZSA-N 1 0 333.457 2.677 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](OC)C(C)C)cc1C ZINC001714744532 1418621268 /nfs/dbraw/zinc/62/12/68/1418621268.db2.gz CINRRONZBYLOKK-QAPCUYQASA-N 1 0 336.476 2.611 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)CCc2ccoc2)cc1C ZINC001715972978 1418701863 /nfs/dbraw/zinc/70/18/63/1418701863.db2.gz UIBHRKQNZKDGJB-HNNXBMFYSA-N 1 0 330.428 2.824 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2conc2C2CC2)cc1C ZINC001716412829 1418874725 /nfs/dbraw/zinc/87/47/25/1418874725.db2.gz QWUCQYDIODETKJ-CYBMUJFWSA-N 1 0 343.427 2.777 10 10 EFCERO CC[C@H]1CN(C(=O)CCOC)CC[C@H]1[NH2+]Cc1ccc(OC)c(C)c1 ZINC001716630846 1418930157 /nfs/dbraw/zinc/93/01/57/1418930157.db2.gz SWKZMKQNQOJNLN-ZWKOTPCHSA-N 1 0 348.487 2.757 10 10 EFCERO CCCOCC(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001716857848 1419060077 /nfs/dbraw/zinc/06/00/77/1419060077.db2.gz OCLGBUZKECIZSN-HXUWFJFHSA-N 1 0 348.487 2.758 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)c3cc(F)c[nH]3)CCC2)cc1C ZINC001717155943 1419241470 /nfs/dbraw/zinc/24/14/70/1419241470.db2.gz VYHUFWAFEOBOIG-UHFFFAOYSA-N 1 0 345.418 2.913 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2n[nH]c(C)c2C)cc1C ZINC001717402953 1419380482 /nfs/dbraw/zinc/38/04/82/1419380482.db2.gz MUBXHEDJCCCKEH-HUUCEWRRSA-N 1 0 344.459 2.640 10 10 EFCERO C[C@@H](CN(C)C(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CC1CC(C)C1 ZINC001717756889 1419537297 /nfs/dbraw/zinc/53/72/97/1419537297.db2.gz JTLSLMVNQKNYBG-MOKVOYLWSA-N 1 0 345.447 2.945 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](NC(=O)[C@@H]2CCOC2)C(C)(C)C)cc1C ZINC001717956769 1419628532 /nfs/dbraw/zinc/62/85/32/1419628532.db2.gz YGQKQZMGXOAUIJ-AEFFLSMTSA-N 1 0 348.487 2.661 10 10 EFCERO CC[C@H](F)C[NH2+]C1CC(N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001718000881 1419650119 /nfs/dbraw/zinc/65/01/19/1419650119.db2.gz UXKNDHDJBZKKBE-GRTSSRMGSA-N 1 0 349.410 2.790 10 10 EFCERO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H](C)[C@@H]2CCCO2)cc1C ZINC001723115357 1424427414 /nfs/dbraw/zinc/42/74/14/1424427414.db2.gz AGDLBNQZZZPJSA-LPHOPBHVSA-N 1 0 348.487 2.757 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)N[C@@H](C[NH2+]C/C=C/Cl)C2CC2)cc1 ZINC001723355234 1424473311 /nfs/dbraw/zinc/47/33/11/1424473311.db2.gz JEAFQGZUDJAEOF-LGUQTGKCSA-N 1 0 349.822 2.700 10 10 EFCERO CCc1[nH]ccc1C(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001723514426 1424515664 /nfs/dbraw/zinc/51/56/64/1424515664.db2.gz ICGSYLNYUOHEJW-UHFFFAOYSA-N 1 0 341.455 2.946 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)c3cocc3C)CC2)cc1C ZINC001723546009 1424521715 /nfs/dbraw/zinc/52/17/15/1424521715.db2.gz KBAWGYNTRZBECL-UHFFFAOYSA-N 1 0 328.412 2.957 10 10 EFCERO CC[C@H](C)OCC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001723896691 1424605421 /nfs/dbraw/zinc/60/54/21/1424605421.db2.gz HWZCPKJWLSKWQT-WMZOPIPTSA-N 1 0 348.487 2.899 10 10 EFCERO CCCCC(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001724807635 1425025260 /nfs/dbraw/zinc/02/52/60/1425025260.db2.gz PNAOTLHKNZLPCK-KRWDZBQOSA-N 1 0 334.460 2.511 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2ccsn2)cc1C ZINC001725494944 1425618985 /nfs/dbraw/zinc/61/89/85/1425618985.db2.gz KWBHVRBBMQFOSI-ZDUSSCGKSA-N 1 0 333.457 2.710 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)Cc2ccco2)cc1C ZINC001725514547 1425631968 /nfs/dbraw/zinc/63/19/68/1425631968.db2.gz JXNDQTBXKPJBFO-OAHLLOKOSA-N 1 0 330.428 2.776 10 10 EFCERO C[C@@H]1C[C@H]([NH2+]C/C=C\Cl)CN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001725580875 1425664434 /nfs/dbraw/zinc/66/44/34/1425664434.db2.gz ADKSOIOVYHVDBR-FGOJEUQOSA-N 1 0 349.822 2.794 10 10 EFCERO COc1cc(C[NH+]2CCC(C(=O)N(C)C)CC2)c(O)c(C(C)(C)C)c1 ZINC000120065746 712905334 /nfs/dbraw/zinc/90/53/34/712905334.db2.gz QGZJTSPHEYGTGO-UHFFFAOYSA-N 1 0 348.487 2.999 10 10 EFCERO CCN1CCC[C@@H]([NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000247207684 713512940 /nfs/dbraw/zinc/51/29/40/713512940.db2.gz WSXJJLJYTKMMFH-NVXWUHKLSA-N 1 0 335.467 2.797 10 10 EFCERO CC[NH+](CC)[C@H]1CCN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000255136795 713840617 /nfs/dbraw/zinc/84/06/17/713840617.db2.gz GLYQGZIWAKPILX-VIHMKRCTSA-N 1 0 347.415 2.702 10 10 EFCERO COc1cc(C[N@@H+]2CCNC(=O)CC23CCC3)c(O)c(C(C)(C)C)c1 ZINC000895926967 724397196 /nfs/dbraw/zinc/39/71/96/724397196.db2.gz IGLPTBRBJLAEQP-UHFFFAOYSA-N 1 0 346.471 2.943 10 10 EFCERO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCC(C)(C)C[NH+](C)C ZINC000052819239 716634933 /nfs/dbraw/zinc/63/49/33/716634933.db2.gz MLXMJZFHWRKXAA-UHFFFAOYSA-N 1 0 328.416 2.568 10 10 EFCERO CN(C(=O)c1cc2cc(O)c(O)cc2s1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000896989461 723935775 /nfs/dbraw/zinc/93/57/75/723935775.db2.gz SKLCBRTVIIBPAX-GFCCVEGCSA-N 1 0 332.425 2.621 10 10 EFCERO COC(=O)c1c(C[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)c2cc(F)ccc2n1C ZINC000895274304 723967729 /nfs/dbraw/zinc/96/77/29/723967729.db2.gz HXJBYHMRDOCLKF-CWTRNNRKSA-N 1 0 346.402 2.572 10 10 EFCERO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F ZINC000895678381 724249200 /nfs/dbraw/zinc/24/92/00/724249200.db2.gz VCDUZVXOJKSNDH-LBPRGKRZSA-N 1 0 326.309 2.709 10 10 EFCERO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CC3(C)C)cc2F)CC1 ZINC000127274119 724499184 /nfs/dbraw/zinc/49/91/84/724499184.db2.gz RIEXHKGCKRKOSB-HNNXBMFYSA-N 1 0 333.451 2.630 10 10 EFCERO C[C@@H]1[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)CCN1Cc1ccccc1 ZINC000310686536 720602767 /nfs/dbraw/zinc/60/27/67/720602767.db2.gz MMGYPXKYRUGXPR-RHSMWYFYSA-N 1 0 340.423 2.874 10 10 EFCERO Cc1cc(O)c(CN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c(Cl)c1 ZINC000840917575 720964423 /nfs/dbraw/zinc/96/44/23/720964423.db2.gz KSJAPUUBYFNUFI-HNNXBMFYSA-N 1 0 337.895 2.566 10 10 EFCERO COC(=O)c1c(CNC[C@@H](C)[N@H+](C)C2CC2)c2cc(F)ccc2n1C ZINC000894247074 721720131 /nfs/dbraw/zinc/72/01/31/721720131.db2.gz PANGUSPBLRSUIS-GFCCVEGCSA-N 1 0 347.434 2.676 10 10 EFCERO COC(=O)c1c(CN[C@H]2CC[N@H+](C)[C@H](C)C2)c2cc(F)ccc2n1C ZINC000894312970 722067625 /nfs/dbraw/zinc/06/76/25/722067625.db2.gz OXQWRZBONULVNR-OCCSQVGLSA-N 1 0 347.434 2.676 10 10 EFCERO COC(=O)c1c(C[N@@H+]2CCC[C@H]([C@H](C)O)C2)c2cc(F)ccc2n1C ZINC000894421658 722732265 /nfs/dbraw/zinc/73/22/65/722732265.db2.gz FMFJSWGAGVTMTN-STQMWFEESA-N 1 0 348.418 2.697 10 10 EFCERO COC(=O)c1c(C[NH+]2CC([C@H]3CCOC3)C2)c2cc(F)ccc2n1C ZINC000894604860 722790789 /nfs/dbraw/zinc/79/07/89/722790789.db2.gz RHWOKRIUGWNQND-LBPRGKRZSA-N 1 0 346.402 2.572 10 10 EFCERO COC(=O)c1cc(C[NH2+]Cc2ccc(OC)cc2O)[nH]c1C(C)C ZINC000894639290 722805605 /nfs/dbraw/zinc/80/56/05/722805605.db2.gz UUHNAIOIYDBKMW-UHFFFAOYSA-N 1 0 332.400 2.929 10 10 EFCERO COC(=O)c1c(C[NH2+]CC2=CCCOC2)c2cc(F)ccc2n1C ZINC000894781848 722846692 /nfs/dbraw/zinc/84/66/92/722846692.db2.gz SPNGDBFGJKNSAH-UHFFFAOYSA-N 1 0 332.375 2.540 10 10 EFCERO CCc1[nH]c(C[NH2+][C@H](C)c2cc(OC)ccc2O)cc1C(=O)OC ZINC000894783055 722847271 /nfs/dbraw/zinc/84/72/71/722847271.db2.gz PRQOMBGWAHXDAZ-LLVKDONJSA-N 1 0 332.400 2.929 10 10 EFCERO COC(=O)c1c(C[NH2+][C@@H](CO)CC2CCC2)c2cc(F)ccc2n1C ZINC000894833932 722879877 /nfs/dbraw/zinc/87/98/77/722879877.db2.gz NWWIWQHHUPRSGS-CQSZACIVSA-N 1 0 348.418 2.745 10 10 EFCERO CCc1cccc(C[N@@H+]2CCc3nc[nH]c3C23CCOCC3)c1O ZINC000895069958 723173741 /nfs/dbraw/zinc/17/37/41/723173741.db2.gz LGXRFUBFFZARNB-UHFFFAOYSA-N 1 0 327.428 2.742 10 10 EFCERO O=C(NCCCSc1nccs1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000154597967 728816847 /nfs/dbraw/zinc/81/68/47/728816847.db2.gz ROJVFKNAEYTDIE-ZDUSSCGKSA-N 1 0 340.518 2.505 10 10 EFCERO O=C(NCCCSc1nccs1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000154597854 728817057 /nfs/dbraw/zinc/81/70/57/728817057.db2.gz ROJVFKNAEYTDIE-CYBMUJFWSA-N 1 0 340.518 2.505 10 10 EFCERO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896633697 723414712 /nfs/dbraw/zinc/41/47/12/723414712.db2.gz KIOPXIYKIFTQNO-PWSUYJOCSA-N 1 0 334.441 2.725 10 10 EFCERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCSc1nccs1 ZINC000154646973 728839653 /nfs/dbraw/zinc/83/96/53/728839653.db2.gz UTYLMJHXEDJAEZ-CHWSQXEVSA-N 1 0 340.518 2.503 10 10 EFCERO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc4cc(O)c(O)cc4s3)CC[C@H]21 ZINC000897016868 723946369 /nfs/dbraw/zinc/94/63/69/723946369.db2.gz MFEIPKNYXIHKIJ-DGCLKSJQSA-N 1 0 346.452 2.869 10 10 EFCERO O=C1N(CC[NH2+]Cc2cc(Cl)c(F)cc2[O-])C[C@H]2CCCCN12 ZINC000895343857 724052481 /nfs/dbraw/zinc/05/24/81/724052481.db2.gz MKZQIFAWTMSQGS-GFCCVEGCSA-N 1 0 341.814 2.564 10 10 EFCERO COC(=O)c1c(C[N@H+](C)CC2(C)COC2)c2cc(F)ccc2n1C ZINC000895391511 724105831 /nfs/dbraw/zinc/10/58/31/724105831.db2.gz BKWIOWPPZXOVPQ-UHFFFAOYSA-N 1 0 334.391 2.572 10 10 EFCERO [O-]c1c(F)cc(Br)cc1C[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000895405569 724118525 /nfs/dbraw/zinc/11/85/25/724118525.db2.gz LHDWUWQLWOAYMB-XHDPSFHLSA-N 1 0 344.224 2.888 10 10 EFCERO CC[C@H](C[C@H](C)O)[NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000895464719 724147334 /nfs/dbraw/zinc/14/73/34/724147334.db2.gz ODGUBYXHXQVMNZ-WCQYABFASA-N 1 0 336.407 2.743 10 10 EFCERO COc1cccc2c1CC[C@]2(CO)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000895635879 724235982 /nfs/dbraw/zinc/23/59/82/724235982.db2.gz ZCNDQDDAEZNCCX-OAQYLSRUSA-N 1 0 340.467 2.993 10 10 EFCERO CC1([NH+]2CCC2)CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000895672063 724253334 /nfs/dbraw/zinc/25/33/34/724253334.db2.gz VJKQEAIJJOMVSL-UHFFFAOYSA-N 1 0 329.488 2.583 10 10 EFCERO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](O)CC3(CCOCC3)C2)cc1 ZINC000895721669 724282657 /nfs/dbraw/zinc/28/26/57/724282657.db2.gz FYGCJKHTPFSIRF-IBGZPJMESA-N 1 0 332.488 2.896 10 10 EFCERO COC(=O)c1c(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)c2cc(F)ccc2n1C ZINC000895776260 724309719 /nfs/dbraw/zinc/30/97/19/724309719.db2.gz AWOHNMTZNMPGJR-TXEJJXNPSA-N 1 0 348.443 2.899 10 10 EFCERO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)C3)O2)c1O ZINC000895818520 724331225 /nfs/dbraw/zinc/33/12/25/724331225.db2.gz DJAIORHDDFKEFP-YLVFBTJISA-N 1 0 341.835 2.870 10 10 EFCERO COC[C@@H]([NH2+]Cc1ccc(Br)cc1O)[C@@H]1CCCOC1 ZINC000895859160 724355685 /nfs/dbraw/zinc/35/56/85/724355685.db2.gz MYOPJZZQUZXPKE-TZMCWYRMSA-N 1 0 344.249 2.686 10 10 EFCERO Cc1cc(C(=O)CN2C[C@H]3C[NH2+]C[C@@H]3C2)c(C)n1-c1ccc(F)cc1 ZINC000728914422 724885092 /nfs/dbraw/zinc/88/50/92/724885092.db2.gz SQDQKNSGYDEPJR-HZPDHXFCSA-N 1 0 341.430 2.567 10 10 EFCERO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000730257410 725558818 /nfs/dbraw/zinc/55/88/18/725558818.db2.gz JZPMMJOEXDVVIH-INIZCTEOSA-N 1 0 332.444 2.980 10 10 EFCERO C[NH+](C)[C@@H](CNC(=O)NCc1c(O)cccc1F)c1cccc(F)c1 ZINC000913890257 725922878 /nfs/dbraw/zinc/92/28/78/725922878.db2.gz PWYLMXBVIMQZLF-INIZCTEOSA-N 1 0 349.381 2.773 10 10 EFCERO CC1CC[NH+](CCCCNC(=O)NCc2c(O)cccc2F)CC1 ZINC000914097332 726037089 /nfs/dbraw/zinc/03/70/89/726037089.db2.gz SZBPVGPLAYCVHN-UHFFFAOYSA-N 1 0 337.439 2.843 10 10 EFCERO C[NH+](C)[C@H](CNC(=O)NCc1c(O)cccc1F)c1ccc(F)cc1 ZINC000914271611 726209403 /nfs/dbraw/zinc/20/94/03/726209403.db2.gz XBSLFJDPZGSKCJ-MRXNPFEDSA-N 1 0 349.381 2.773 10 10 EFCERO O=C([C@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCC3)C1)N1CCCC1 ZINC000732189650 727002675 /nfs/dbraw/zinc/00/26/75/727002675.db2.gz FXYHEBRESREOPV-KRWDZBQOSA-N 1 0 328.456 2.715 10 10 EFCERO CC1([NH+]2CCCC2)CCC(NC(=O)NCc2ccccc2O)CC1 ZINC000915517949 727086785 /nfs/dbraw/zinc/08/67/85/727086785.db2.gz NFSPXLUGYQZTLP-UHFFFAOYSA-N 1 0 331.460 2.989 10 10 EFCERO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000912293435 727689255 /nfs/dbraw/zinc/68/92/55/727689255.db2.gz WUTAJYVYFJVTLO-SJORKVTESA-N 1 0 345.487 2.512 10 10 EFCERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(Br)ccc1O ZINC000156076909 727730027 /nfs/dbraw/zinc/73/00/27/727730027.db2.gz DPEZIRQMYKFVEG-SMDDNHRTSA-N 1 0 325.250 2.823 10 10 EFCERO COC(=O)/C=C\c1ccc(N2CCC(C[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000917081859 727765932 /nfs/dbraw/zinc/76/59/32/727765932.db2.gz HDHQCVSAWPXQMD-ALCCZGGFSA-N 1 0 347.415 2.559 10 10 EFCERO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000164232044 727922395 /nfs/dbraw/zinc/92/23/95/727922395.db2.gz VBXSNNUQTPANIG-OAHLLOKOSA-N 1 0 334.460 2.838 10 10 EFCERO O=C1CC[N@H+](Cc2c(O)ccc3cc(Br)ccc32)CCN1 ZINC000044780990 727928044 /nfs/dbraw/zinc/92/80/44/727928044.db2.gz ILUPZGWTOARABL-UHFFFAOYSA-N 1 0 349.228 2.630 10 10 EFCERO Cc1ncc(CN2CC[NH+](Cc3cc4c(cc3O)CCC4)CC2)s1 ZINC000171890254 728559213 /nfs/dbraw/zinc/55/92/13/728559213.db2.gz YIXALRZVQYPOSH-UHFFFAOYSA-N 1 0 343.496 2.964 10 10 EFCERO C[NH+](C)CC[C@H](NC(=O)NCc1c(O)cccc1F)C(C)(C)C ZINC000919151231 728980484 /nfs/dbraw/zinc/98/04/84/728980484.db2.gz PTBSKCKMHBGHMJ-HNNXBMFYSA-N 1 0 325.428 2.697 10 10 EFCERO COc1ccc(N2CCN(CC(=O)N[C@@H]3CCCC[C@H]3C)CC2)cc1 ZINC000068678574 729741031 /nfs/dbraw/zinc/74/10/31/729741031.db2.gz HQRBWCSKZDXZJU-VQIMIIECSA-N 1 0 345.487 2.512 10 10 EFCERO CCOc1ccc(O)c(C[NH2+][C@](C)(CO)Cc2ccccc2OC)c1 ZINC000865715540 1126115008 /nfs/dbraw/zinc/11/50/08/1126115008.db2.gz AYNAYZLQAUXNSK-FQEVSTJZSA-N 1 0 345.439 2.883 10 10 EFCERO COc1ccc(C[NH2+]C[C@]2(C)CCN(C(=O)C[C@@H](C)OC)C2)cc1C ZINC001569662331 1085494979 /nfs/dbraw/zinc/49/49/79/1085494979.db2.gz RQXDURQUZOHGNB-UZLBHIALSA-N 1 0 348.487 2.757 10 10 EFCERO CCC[NH2+]CC[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001570024185 1085871865 /nfs/dbraw/zinc/87/18/65/1085871865.db2.gz LTURQEFSBMOHSS-CYBMUJFWSA-N 1 0 331.420 2.701 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)c3ccccn3)CCC2)cc1C ZINC001570094560 1085944301 /nfs/dbraw/zinc/94/43/01/1085944301.db2.gz OVJCDRBBROUMRE-UHFFFAOYSA-N 1 0 339.439 2.841 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)c3cccn3C)CCC2)cc1C ZINC001570098205 1085946455 /nfs/dbraw/zinc/94/64/55/1085946455.db2.gz ULRIZHVILUGFNR-UHFFFAOYSA-N 1 0 341.455 2.784 10 10 EFCERO CCCC[NH2+][C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1C ZINC001570366134 1086172395 /nfs/dbraw/zinc/17/23/95/1086172395.db2.gz QLNXUKRHPZWCJF-WFASDCNBSA-N 1 0 331.420 2.699 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2ccc(F)cn2)cc1C ZINC001571384942 1086775129 /nfs/dbraw/zinc/77/51/29/1086775129.db2.gz YIPGXEWDLTVZNZ-CQSZACIVSA-N 1 0 345.418 2.788 10 10 EFCERO CCc1cc(C(=O)N(C)C[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)no1 ZINC001571413540 1086795274 /nfs/dbraw/zinc/79/52/74/1086795274.db2.gz VUPGLQGQFDXYOQ-CQSZACIVSA-N 1 0 345.443 2.804 10 10 EFCERO COCCCCC(=O)N1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@@H]1C ZINC001571473505 1086852086 /nfs/dbraw/zinc/85/20/86/1086852086.db2.gz RJGBZMZYEZNZFP-WMZOPIPTSA-N 1 0 348.487 2.899 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)C(C2CC2)C2CC2)cc1C ZINC001266966497 1092208765 /nfs/dbraw/zinc/20/87/65/1092208765.db2.gz SLMJLVRQCIZXLL-UHFFFAOYSA-N 1 0 330.472 2.988 10 10 EFCERO O=C(Cc1ccc(O)c(O)c1)N(CC[NH+]1CCCC1)c1ccccc1 ZINC001586583538 1092745079 /nfs/dbraw/zinc/74/50/79/1092745079.db2.gz PFGGHZYIBPLAOA-UHFFFAOYSA-N 1 0 340.423 2.769 10 10 EFCERO O=C(Cc1ccc(O)c(O)c1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC001586836339 1092762080 /nfs/dbraw/zinc/76/20/80/1092762080.db2.gz XSAXIXBFTUDFPD-UHFFFAOYSA-N 1 0 346.471 2.945 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@@H]2CC2(F)F)cc1C ZINC001267125430 1092834250 /nfs/dbraw/zinc/83/42/50/1092834250.db2.gz HIVYAAGAICCKRU-OCCSQVGLSA-N 1 0 326.387 2.643 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2[nH]c(C)nc2C)cc1C ZINC001267144838 1092902773 /nfs/dbraw/zinc/90/27/73/1092902773.db2.gz HIVUGTFCUYWTNY-ZDUSSCGKSA-N 1 0 344.459 2.642 10 10 EFCERO CC[NH+]1CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000708135236 1093129802 /nfs/dbraw/zinc/12/98/02/1093129802.db2.gz YKSFLEMLWCNSQN-UHFFFAOYSA-N 1 0 333.657 2.946 10 10 EFCERO C[C@H](NC(=O)[C@@H]1CCN(c2cc[nH+]cc2)C1)c1ccc(N(C)C)cc1 ZINC001650952290 1093513009 /nfs/dbraw/zinc/51/30/09/1093513009.db2.gz CDFYPKFDERVPHV-DOTOQJQBSA-N 1 0 338.455 2.851 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)CCC(F)(F)F)cc1C ZINC001267359120 1094301089 /nfs/dbraw/zinc/30/10/89/1094301089.db2.gz AUPYNZYAPHUFMQ-UHFFFAOYSA-N 1 0 332.366 2.894 10 10 EFCERO CCO[C@@H](CNC(=O)c1sccc1-n1c(C)ccc1C)C[NH+](C)C ZINC001595150970 1094455639 /nfs/dbraw/zinc/45/56/39/1094455639.db2.gz SSXLAACMZSJQQQ-HNNXBMFYSA-N 1 0 349.500 2.852 10 10 EFCERO CCc1cc(C(=O)N(C)[C@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)[nH]n1 ZINC001268049831 1094967646 /nfs/dbraw/zinc/96/76/46/1094967646.db2.gz MWQFDENUUVBRIO-CQSZACIVSA-N 1 0 344.459 2.539 10 10 EFCERO CC[NH2+][C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)c1ccccc1 ZINC001267525625 1095293058 /nfs/dbraw/zinc/29/30/58/1095293058.db2.gz HBRAITPTJKWZBG-MRXNPFEDSA-N 1 0 339.399 2.930 10 10 EFCERO COc1ccc(C(=O)N(C)[C@@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)o1 ZINC001268092941 1095296931 /nfs/dbraw/zinc/29/69/31/1095296931.db2.gz NNCQJGMQIPCVSF-AWEZNQCLSA-N 1 0 346.427 2.856 10 10 EFCERO COc1ccc(C[NH2+][C@@H](CNC(=O)C2CCOCC2)C(C)C)cc1C ZINC001268207270 1096099334 /nfs/dbraw/zinc/09/93/34/1096099334.db2.gz WTURQNKILMNJNM-SFHVURJKSA-N 1 0 348.487 2.661 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2nc(C)oc2C)cc1C ZINC001482154444 1097403255 /nfs/dbraw/zinc/40/32/55/1097403255.db2.gz NYNDTSDPINOKDK-GFCCVEGCSA-N 1 0 345.443 2.764 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2nc(C)oc2C)cc1C ZINC001482154445 1097403393 /nfs/dbraw/zinc/40/33/93/1097403393.db2.gz NYNDTSDPINOKDK-LBPRGKRZSA-N 1 0 345.443 2.764 10 10 EFCERO CCCc1nc(C(=O)N[C@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)co1 ZINC001268669723 1097523324 /nfs/dbraw/zinc/52/33/24/1097523324.db2.gz OBFCYESNCLDMMI-CQSZACIVSA-N 1 0 345.443 2.852 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H](C)c2ccco2)cc1C ZINC001268702754 1097554136 /nfs/dbraw/zinc/55/41/36/1097554136.db2.gz KZRSJDLOMYNECZ-GJZGRUSLSA-N 1 0 330.428 2.995 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](NC(=O)C(C)(F)F)C2CC2)cc1C ZINC001269033586 1097797396 /nfs/dbraw/zinc/79/73/96/1097797396.db2.gz VKLQCRCIUOJUHJ-AWEZNQCLSA-N 1 0 326.387 2.643 10 10 EFCERO CC[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]C[C@@H](F)CC ZINC001269514749 1098202308 /nfs/dbraw/zinc/20/23/08/1098202308.db2.gz BBPMLCXQLVLPJR-QWHCGFSZSA-N 1 0 337.399 2.695 10 10 EFCERO CC[C@@H](C)OCC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001270195523 1098786718 /nfs/dbraw/zinc/78/67/18/1098786718.db2.gz HWZCPKJWLSKWQT-SJLPKXTDSA-N 1 0 348.487 2.899 10 10 EFCERO CC[C@H](C)OCC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001270195522 1098787812 /nfs/dbraw/zinc/78/78/12/1098787812.db2.gz HWZCPKJWLSKWQT-FUHWJXTLSA-N 1 0 348.487 2.899 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2ccc(F)nc2)cc1C ZINC001270372703 1099021185 /nfs/dbraw/zinc/02/11/85/1099021185.db2.gz XVEQMGTWFLVURB-CYBMUJFWSA-N 1 0 345.418 2.693 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@@H]2C[C@H]2C2CC2)cc1C ZINC001268007200 1099154511 /nfs/dbraw/zinc/15/45/11/1099154511.db2.gz UCQVTDZKMFTCPN-DOPJRALCSA-N 1 0 330.472 2.892 10 10 EFCERO CC[C@@H]1C[C@@H](C(=O)N(C)CC[NH2+]Cc2ccc(OC)c(C)c2)CCO1 ZINC001481302725 1099158177 /nfs/dbraw/zinc/15/81/77/1099158177.db2.gz RCZBPVNFAZEOLG-ZWKOTPCHSA-N 1 0 348.487 2.757 10 10 EFCERO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCCSc2nccs2)C1 ZINC001616241611 1099170298 /nfs/dbraw/zinc/17/02/98/1099170298.db2.gz PNLCWSMUMCSNGI-CHWSQXEVSA-N 1 0 327.519 2.862 10 10 EFCERO C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCCSc2nccs2)C1 ZINC001616241612 1099170753 /nfs/dbraw/zinc/17/07/53/1099170753.db2.gz PNLCWSMUMCSNGI-OLZOCXBDSA-N 1 0 327.519 2.862 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)C[C@H]2CCCOC2)cc1C ZINC001270596765 1099240719 /nfs/dbraw/zinc/24/07/19/1099240719.db2.gz VEQXRZQQAXLBOE-CRAIPNDOSA-N 1 0 348.487 2.662 10 10 EFCERO CC[C@@H](CNC(=O)[C@H]1C[C@@H]1C(F)F)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267800050 1099298813 /nfs/dbraw/zinc/29/88/13/1099298813.db2.gz QSXFJEHDBZPACO-KKUMJFAQSA-N 1 0 340.414 2.889 10 10 EFCERO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001618593427 1099306189 /nfs/dbraw/zinc/30/61/89/1099306189.db2.gz KFZULJHGXBKPRU-GJZGRUSLSA-N 1 0 331.460 2.598 10 10 EFCERO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2C[C@H]2OC(C)(C)C)[NH+](C)C)cc1 ZINC001618642269 1099309959 /nfs/dbraw/zinc/30/99/59/1099309959.db2.gz FRBYBOKCZMRIFA-KZNAEPCWSA-N 1 0 347.503 2.675 10 10 EFCERO COc1ccc(N(C)CC[N@H+](C)C2CN(C(=O)OC(C)(C)C)C2)cc1 ZINC001619656160 1099331571 /nfs/dbraw/zinc/33/15/71/1099331571.db2.gz FYFBGDGMHCHOMI-UHFFFAOYSA-N 1 0 349.475 2.683 10 10 EFCERO COc1ccc(C[NH2+]CC2(NC(=O)c3ccn[nH]3)CCCC2)cc1C ZINC001267832809 1099508808 /nfs/dbraw/zinc/50/88/08/1099508808.db2.gz FQDRWCNQTFDGDQ-UHFFFAOYSA-N 1 0 342.443 2.559 10 10 EFCERO COC[C@@H](C)C(=O)NC1(C[NH2+]Cc2ccc(OC)c(C)c2)CCCC1 ZINC001267833872 1099520686 /nfs/dbraw/zinc/52/06/86/1099520686.db2.gz OCMFKFMOLHIZSD-MRXNPFEDSA-N 1 0 348.487 2.805 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@]2(C)CCCOC2)cc1C ZINC001482346464 1099729732 /nfs/dbraw/zinc/72/97/32/1099729732.db2.gz BISPEICNHISEDH-JXFKEZNVSA-N 1 0 348.487 2.757 10 10 EFCERO CC[C@H](C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)N1CCO[C@H](CC)C1 ZINC001625544896 1099825366 /nfs/dbraw/zinc/82/53/66/1099825366.db2.gz ZBNQECGMEGBTQC-KFKAGJAMSA-N 1 0 347.503 2.819 10 10 EFCERO COc1ccc(N(C)CCN(C)C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)cc1 ZINC001628469400 1100104747 /nfs/dbraw/zinc/10/47/47/1100104747.db2.gz ZEGLTYOWDRCYNC-IEBWSBKVSA-N 1 0 345.487 2.607 10 10 EFCERO COc1ccc(N(C)CCN(C)C(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC001628468862 1100105154 /nfs/dbraw/zinc/10/51/54/1100105154.db2.gz NAPGOISVLVQGBT-BBWFWOEESA-N 1 0 347.503 2.851 10 10 EFCERO O=C(NCc1cc(O)ccc1O)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC001633599345 1100553532 /nfs/dbraw/zinc/55/35/32/1100553532.db2.gz YATCQRMVAHXINN-GOSISDBHSA-N 1 0 340.423 2.594 10 10 EFCERO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001633818488 1100567000 /nfs/dbraw/zinc/56/70/00/1100567000.db2.gz JIXWFLYKDMJPDW-RHSMWYFYSA-N 1 0 346.471 2.942 10 10 EFCERO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001633818487 1100567192 /nfs/dbraw/zinc/56/71/92/1100567192.db2.gz JIXWFLYKDMJPDW-PBHICJAKSA-N 1 0 346.471 2.942 10 10 EFCERO COCCC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001482464385 1100681125 /nfs/dbraw/zinc/68/11/25/1100681125.db2.gz RYNQJVMREGAPFH-SJLPKXTDSA-N 1 0 348.487 2.757 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)NCCCCC[NH+]2CCCC2)cc1 ZINC001637454155 1100784225 /nfs/dbraw/zinc/78/42/25/1100784225.db2.gz GKGMSXYFPLBYOG-UHFFFAOYSA-N 1 0 331.420 2.845 10 10 EFCERO CN(C)c1ccc([C@H](CNC(=O)NC2(C3CC3)CCC2)[NH+](C)C)cc1 ZINC001638923645 1100899018 /nfs/dbraw/zinc/89/90/18/1100899018.db2.gz YXMQAJOEKXJWCL-SFHVURJKSA-N 1 0 344.503 2.987 10 10 EFCERO C[NH+](C)CCc1ccc(C(=O)NCc2ccc3cccnc3c2O)cc1 ZINC001639624629 1100967658 /nfs/dbraw/zinc/96/76/58/1100967658.db2.gz DENLWKLBJIVRFT-UHFFFAOYSA-N 1 0 349.434 2.975 10 10 EFCERO O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001639675820 1100972542 /nfs/dbraw/zinc/97/25/42/1100972542.db2.gz IUTKDYXMSZDRCU-INIZCTEOSA-N 1 0 332.444 2.554 10 10 EFCERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001642997400 1101262294 /nfs/dbraw/zinc/26/22/94/1101262294.db2.gz AMDLBSVSZTYLAG-QFBILLFUSA-N 1 0 331.504 2.983 10 10 EFCERO CCN(C)c1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](C(N)=O)C2)cc1 ZINC001643431781 1101298027 /nfs/dbraw/zinc/29/80/27/1101298027.db2.gz WMSKVSTWYTVDAN-VQTJNVASSA-N 1 0 337.467 2.844 10 10 EFCERO CCC[C@H](OC)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001266610432 1101436786 /nfs/dbraw/zinc/43/67/86/1101436786.db2.gz UYFCEDGUIZPIJE-BQFCYCMXSA-N 1 0 334.460 2.556 10 10 EFCERO CC[N@@H+]1C[C@H](NC(=O)c2cc(C)n(-c3ccccn3)c2C)C(C)(C)C1 ZINC001652603889 1101520251 /nfs/dbraw/zinc/52/02/51/1101520251.db2.gz PTDMUQYWGQSGKX-KRWDZBQOSA-N 1 0 340.471 2.949 10 10 EFCERO C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1O ZINC001654531908 1101730245 /nfs/dbraw/zinc/73/02/45/1101730245.db2.gz ABQULOOJCXVYNN-LBPRGKRZSA-N 1 0 329.356 2.980 10 10 EFCERO CN(C)c1ccc(CNC(=O)C[NH+]2CCC(C3CCC3)CC2)cc1 ZINC001655006480 1101776711 /nfs/dbraw/zinc/77/67/11/1101776711.db2.gz AHSNXXZZTMLMJD-UHFFFAOYSA-N 1 0 329.488 2.881 10 10 EFCERO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@H](C3CCC3)C2)cc1 ZINC001655118250 1101785894 /nfs/dbraw/zinc/78/58/94/1101785894.db2.gz JWXATTJCVTXTNH-SFHVURJKSA-N 1 0 329.488 2.881 10 10 EFCERO CCOCCC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001271470197 1101995197 /nfs/dbraw/zinc/99/51/97/1101995197.db2.gz GEMYLRUDOZZVMB-WMZOPIPTSA-N 1 0 348.487 2.757 10 10 EFCERO COC(=O)N(C)CC[N@H+](C)Cc1cc(Br)cc(C)c1O ZINC000690718093 1102040965 /nfs/dbraw/zinc/04/09/65/1102040965.db2.gz ZZTCXPWMMSREFK-UHFFFAOYSA-N 1 0 345.237 2.593 10 10 EFCERO CCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1C ZINC001271720724 1102312866 /nfs/dbraw/zinc/31/28/66/1102312866.db2.gz FWHUBDXOLYZSIU-GXTWGEPZSA-N 1 0 331.420 2.557 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2cc(C)c(C)cn2)cc1C ZINC001266955115 1102769844 /nfs/dbraw/zinc/76/98/44/1102769844.db2.gz DRESHCYWTSOQCF-INIZCTEOSA-N 1 0 341.455 2.924 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CC[C@@H]3CCOC3)C2)cc1C ZINC001266584709 1102909544 /nfs/dbraw/zinc/90/95/44/1102909544.db2.gz LKYAVCDXSFGHJT-KBAYOESNSA-N 1 0 346.471 2.557 10 10 EFCERO CC(C)[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CC1CC1 ZINC001271942104 1103130732 /nfs/dbraw/zinc/13/07/32/1103130732.db2.gz RQZQTMBZZPRDFD-OAHLLOKOSA-N 1 0 331.420 2.603 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)C[C@H]2CC(C)(C)CO2)cc1C ZINC001483248137 1103145658 /nfs/dbraw/zinc/14/56/58/1103145658.db2.gz NFMZBKQBOHSDPG-RDJZCZTQSA-N 1 0 348.487 2.803 10 10 EFCERO CCc1cncc(C(=O)N[C@@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)c1 ZINC001483249133 1103145749 /nfs/dbraw/zinc/14/57/49/1103145749.db2.gz SRQQIKNNRINGLK-HNNXBMFYSA-N 1 0 341.455 2.869 10 10 EFCERO COc1ccc(C[NH2+][C@@H](CNC(=O)Cc2ccc[nH]2)C2CC2)cc1C ZINC001661193245 1103163147 /nfs/dbraw/zinc/16/31/47/1103163147.db2.gz UDVHIVCCNFLTGI-SFHVURJKSA-N 1 0 341.455 2.559 10 10 EFCERO COc1csc(C(=O)N[C@@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)c1 ZINC001483254830 1103166645 /nfs/dbraw/zinc/16/66/45/1103166645.db2.gz JIRIFCVCFHKPHX-ZDUSSCGKSA-N 1 0 348.468 2.982 10 10 EFCERO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H](C)CSC)C2)cc1C ZINC001661294766 1103224373 /nfs/dbraw/zinc/22/43/73/1103224373.db2.gz SOBXWNBSZBTCPS-ZBFHGGJFSA-N 1 0 336.501 2.693 10 10 EFCERO C[C@@H](C[NH2+]CCC(F)(F)F)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001483299057 1103287646 /nfs/dbraw/zinc/28/76/46/1103287646.db2.gz PRVVWSXUTVHAOO-VIFPVBQESA-N 1 0 345.325 2.509 10 10 EFCERO CC[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001661515649 1103288866 /nfs/dbraw/zinc/28/88/66/1103288866.db2.gz QAVPZLWIFBIRKW-CQDKDKBSSA-N 1 0 331.420 2.746 10 10 EFCERO Oc1cc2c(cc1C[N@@H+]1C[C@@H]3COC[C@]3(c3ccccc3)C1)OCO2 ZINC000905675210 1103486925 /nfs/dbraw/zinc/48/69/25/1103486925.db2.gz BXZWTQLPBRKREO-UZLBHIALSA-N 1 0 339.391 2.521 10 10 EFCERO C[C@]1([C@@H]2CCC[N@H+](Cc3c(O)ccc4ccncc43)C2)COC(=O)N1 ZINC000905705995 1103517193 /nfs/dbraw/zinc/51/71/93/1103517193.db2.gz DMAIHIMHFMDFSO-AUUYWEPGSA-N 1 0 341.411 2.651 10 10 EFCERO C[C@]1([C@@H]2CCC[N@H+](Cc3cc4c(cc3O)CCC4)C2)COC(=O)N1 ZINC000905708248 1103518937 /nfs/dbraw/zinc/51/89/37/1103518937.db2.gz ORFHUOPPFSVPMX-VQIMIIECSA-N 1 0 330.428 2.591 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2ccc(Cl)[nH]2)cc1C ZINC001662328767 1103664164 /nfs/dbraw/zinc/66/41/64/1103664164.db2.gz GMQVDWDNLZVNGU-GFCCVEGCSA-N 1 0 335.835 2.893 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)Cc2cccnc2C)cc1C ZINC001662335448 1103666934 /nfs/dbraw/zinc/66/69/34/1103666934.db2.gz YEWBNIQOAFZAQD-OAHLLOKOSA-N 1 0 341.455 2.544 10 10 EFCERO COc1ccc(C[NH2+]CCCN(C)C(=O)c2ncoc2C)cc1C ZINC001483455092 1103741600 /nfs/dbraw/zinc/74/16/00/1103741600.db2.gz HEOZJTDLLJDBSH-UHFFFAOYSA-N 1 0 331.416 2.552 10 10 EFCERO CCc1ocnc1C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001662903511 1103892908 /nfs/dbraw/zinc/89/29/08/1103892908.db2.gz KUNWYNXPQSEDGQ-CQSZACIVSA-N 1 0 345.443 2.852 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](NC(=O)[C@@H](C)SC)C2CC2)cc1C ZINC001483545261 1103918613 /nfs/dbraw/zinc/91/86/13/1103918613.db2.gz NLFORNHITKNXQX-CJNGLKHVSA-N 1 0 336.501 2.740 10 10 EFCERO CCc1oncc1C(=O)NC[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001666624836 1104971745 /nfs/dbraw/zinc/97/17/45/1104971745.db2.gz IZHUALMKEYCSEX-CYBMUJFWSA-N 1 0 345.443 2.710 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)c2cscn2)cc1C ZINC001666865169 1105011313 /nfs/dbraw/zinc/01/13/13/1105011313.db2.gz QDVQWAJMEPKTND-ZDUSSCGKSA-N 1 0 333.457 2.710 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)Cc2ccc[nH]2)cc1C ZINC001667055051 1105043027 /nfs/dbraw/zinc/04/30/27/1105043027.db2.gz XYNNXTGUALJMRW-HNNXBMFYSA-N 1 0 329.444 2.511 10 10 EFCERO CCOCC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001667312445 1105114771 /nfs/dbraw/zinc/11/47/71/1105114771.db2.gz KUEIVXXLUUYPRB-AEFFLSMTSA-N 1 0 348.487 2.757 10 10 EFCERO COc1ccc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)CC(C)(C)O)cc1C ZINC001667722624 1105187730 /nfs/dbraw/zinc/18/77/30/1105187730.db2.gz OHHRRWAJHLXTAM-IAGOWNOFSA-N 1 0 348.487 2.539 10 10 EFCERO CC[C@@H](F)C[NH2+]CCN(CC)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001482971170 1105269678 /nfs/dbraw/zinc/26/96/78/1105269678.db2.gz XQIPMMJQUAWHCI-CYBMUJFWSA-N 1 0 337.399 2.649 10 10 EFCERO C[C@@H](CC[NH2+]C/C=C/Cl)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001668325222 1105282471 /nfs/dbraw/zinc/28/24/71/1105282471.db2.gz HRSMSFUEKXMACU-WZVQCCLVSA-N 1 0 337.811 2.700 10 10 EFCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)C2(C)CCOCC2)cc1C ZINC001669091686 1105433161 /nfs/dbraw/zinc/43/31/61/1105433161.db2.gz PQURFPJZTBFJJC-PLNGDYQASA-N 1 0 346.471 2.582 10 10 EFCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)c2cc(Cl)no2)cc1C ZINC001669151905 1105444957 /nfs/dbraw/zinc/44/49/57/1105444957.db2.gz YUPHEYRULURFBY-ARJAWSKDSA-N 1 0 349.818 2.721 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2cnoc2C2CC2)cc1C ZINC001669439901 1105482827 /nfs/dbraw/zinc/48/28/27/1105482827.db2.gz BNAXNAVTMSPKOF-CYBMUJFWSA-N 1 0 343.427 2.777 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)Cc2cccnc2C)cc1C ZINC001669665153 1105507167 /nfs/dbraw/zinc/50/71/67/1105507167.db2.gz RCRMPIYFXMWTOO-HNNXBMFYSA-N 1 0 341.455 2.544 10 10 EFCERO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)COC(C)C)C[C@H]2C)cc1C ZINC001672260271 1105787399 /nfs/dbraw/zinc/78/73/99/1105787399.db2.gz LIQXNIOWYTZCQW-AEFFLSMTSA-N 1 0 348.487 2.613 10 10 EFCERO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1ccc(N2CCCCC2)cc1 ZINC000841892457 1105853825 /nfs/dbraw/zinc/85/38/25/1105853825.db2.gz ZERWVGBRZFCWOO-QZTJIDSGSA-N 1 0 331.504 2.564 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)c3coc(C)n3)CCC2)cc1C ZINC001673160068 1105979545 /nfs/dbraw/zinc/97/95/45/1105979545.db2.gz AMBYYXHLPKKWPZ-UHFFFAOYSA-N 1 0 343.427 2.742 10 10 EFCERO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897631187 1106005831 /nfs/dbraw/zinc/00/58/31/1106005831.db2.gz RXZRGOLUNNAHNI-GFCCVEGCSA-N 1 0 334.441 2.869 10 10 EFCERO C[C@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C1CCCC1 ZINC001673572946 1106050251 /nfs/dbraw/zinc/05/02/51/1106050251.db2.gz QTZRTZYABTVIBU-INIZCTEOSA-N 1 0 344.503 2.816 10 10 EFCERO COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000841963754 1106056819 /nfs/dbraw/zinc/05/68/19/1106056819.db2.gz WJQPITQCTXKHCG-OLZOCXBDSA-N 1 0 343.427 2.981 10 10 EFCERO CC[N@H+](C)[C@@H]1CCN(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC001673744237 1106080857 /nfs/dbraw/zinc/08/08/57/1106080857.db2.gz KMYVURMFUWESPH-VQIMIIECSA-N 1 0 346.519 2.728 10 10 EFCERO CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001673745483 1106080921 /nfs/dbraw/zinc/08/09/21/1106080921.db2.gz UYEJMSINGXLLDJ-LPHOPBHVSA-N 1 0 346.519 2.776 10 10 EFCERO C[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)CC[N@@H+](C2CC2)C1 ZINC000897863801 1106122024 /nfs/dbraw/zinc/12/20/24/1106122024.db2.gz IGNDSVGWLYNCSD-LLVKDONJSA-N 1 0 346.452 2.869 10 10 EFCERO CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000842005936 1106166734 /nfs/dbraw/zinc/16/67/34/1106166734.db2.gz TVRGEICMKLHNKB-OAHLLOKOSA-N 1 0 341.402 2.701 10 10 EFCERO CC(C)=CC[NH2+]CC1CC(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001674612785 1106222240 /nfs/dbraw/zinc/22/22/40/1106222240.db2.gz YGMOAIIKUNYISO-UHFFFAOYSA-N 1 0 343.431 2.913 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)Cc2ccc[nH]2)cc1C ZINC001674775145 1106255076 /nfs/dbraw/zinc/25/50/76/1106255076.db2.gz UQPVXGWTRXCJOV-HUUCEWRRSA-N 1 0 329.444 2.557 10 10 EFCERO C[NH+]1CCN(c2ccc(CNC(=O)N3C[C@H]4CCCC[C@H]43)cc2)CC1 ZINC001675580014 1106388326 /nfs/dbraw/zinc/38/83/26/1106388326.db2.gz HMFNTIANCLKONA-IEBWSBKVSA-N 1 0 342.487 2.522 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)CCC(F)F)cc1C ZINC001676387162 1106523207 /nfs/dbraw/zinc/52/32/07/1106523207.db2.gz OQAFLEDUWNPINF-ZDUSSCGKSA-N 1 0 328.403 2.985 10 10 EFCERO CN(C)c1ccc(CN(C(=O)NC[C@H]2CCCC[N@@H+]2C)C2CC2)cc1 ZINC001676541196 1106539445 /nfs/dbraw/zinc/53/94/45/1106539445.db2.gz XULYJFUQHHLBPH-LJQANCHMSA-N 1 0 344.503 2.911 10 10 EFCERO COc1ccc(C[NH2+]CCOCCN(C)C(=O)C(C)(C)C)cc1C ZINC001677519755 1106725899 /nfs/dbraw/zinc/72/58/99/1106725899.db2.gz MYJKPVZSAMVVKF-UHFFFAOYSA-N 1 0 336.476 2.614 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)Cc3ccoc3)CC2)cc1C ZINC001483729810 1108400982 /nfs/dbraw/zinc/40/09/82/1108400982.db2.gz POPODMTWEDQGFW-UHFFFAOYSA-N 1 0 328.412 2.578 10 10 EFCERO CCC(CC)[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)N1CCOCC1 ZINC000097497822 1108597952 /nfs/dbraw/zinc/59/79/52/1108597952.db2.gz SSWMCKFNLIRPID-IBGZPJMESA-N 1 0 332.488 2.848 10 10 EFCERO C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)C(C)(C)CO ZINC000924718659 1108851513 /nfs/dbraw/zinc/85/15/13/1108851513.db2.gz ZQXYQKZKHDZUOO-ZNMIVQPWSA-N 1 0 338.467 2.936 10 10 EFCERO CC[C@@H]([NH2+][C@@H](CC)C(=O)NC)c1cc(Br)ccc1O ZINC000697921511 1109223285 /nfs/dbraw/zinc/22/32/85/1109223285.db2.gz WAIXDNOBRORYCZ-NEPJUHHUSA-N 1 0 329.238 2.720 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@H]3CCO[C@H](C)C3)CC2)cc1C ZINC001483778716 1112437662 /nfs/dbraw/zinc/43/76/62/1112437662.db2.gz LRZCUCWCQFNDMU-WBVHZDCISA-N 1 0 346.471 2.557 10 10 EFCERO COCCCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@@H]1C ZINC001483899593 1112541760 /nfs/dbraw/zinc/54/17/60/1112541760.db2.gz RNOLDARLYUDZCT-FUHWJXTLSA-N 1 0 348.487 2.899 10 10 EFCERO COc1ccc(C[NH2+]CC[C@H]2CCN(C(=O)c3cnco3)C2)cc1C ZINC001484532605 1112987168 /nfs/dbraw/zinc/98/71/68/1112987168.db2.gz JJRQLSNDIVXVAO-HNNXBMFYSA-N 1 0 343.427 2.634 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2ccccn2)cc1C ZINC001485115415 1118050550 /nfs/dbraw/zinc/05/05/50/1118050550.db2.gz YWBZSTWBMJALAI-LSDHHAIUSA-N 1 0 327.428 2.695 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)Cc2cc(C)on2)cc1C ZINC001485131367 1118059859 /nfs/dbraw/zinc/05/98/59/1118059859.db2.gz CKOZQHMSVALXQD-GJZGRUSLSA-N 1 0 345.443 2.526 10 10 EFCERO CCn1nccc1C(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001485137518 1118090434 /nfs/dbraw/zinc/09/04/34/1118090434.db2.gz LZOKZNBCZWESIO-LSDHHAIUSA-N 1 0 344.459 2.517 10 10 EFCERO CCn1nccc1C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001485137515 1118090546 /nfs/dbraw/zinc/09/05/46/1118090546.db2.gz LZOKZNBCZWESIO-GJZGRUSLSA-N 1 0 344.459 2.517 10 10 EFCERO CC(C)CC[N@H+](C)[C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001485388884 1118330145 /nfs/dbraw/zinc/33/01/45/1118330145.db2.gz AMFJQUQIGLVHRG-ZDUSSCGKSA-N 1 0 333.436 2.945 10 10 EFCERO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]2CCCO2)cc1C ZINC001485710440 1118532164 /nfs/dbraw/zinc/53/21/64/1118532164.db2.gz JCKXULLJVNLCHQ-QAPCUYQASA-N 1 0 334.460 2.557 10 10 EFCERO COc1ccc(C[NH2+][C@H](CCNC(=O)C(F)F)C(C)C)cc1C ZINC001485780549 1118588386 /nfs/dbraw/zinc/58/83/86/1118588386.db2.gz WEDDULMFQCQREW-CQSZACIVSA-N 1 0 328.403 2.889 10 10 EFCERO O=C(NCc1ccc(O)c(O)c1)c1cccc(C[NH+]2CCCC2)c1 ZINC000159079495 239021511 /nfs/dbraw/zinc/02/15/11/239021511.db2.gz HXRJPXQEYYGFMI-UHFFFAOYSA-N 1 0 326.396 2.624 10 10 EFCERO Oc1ccc2ccccc2c1C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000173371067 239189678 /nfs/dbraw/zinc/18/96/78/239189678.db2.gz IFJSLJOFBGSABT-QGZVFWFLSA-N 1 0 326.440 2.842 10 10 EFCERO C[C@H]([NH2+]CC1(C)OCCCO1)c1ccc(Br)cc1O ZINC000190644473 239934288 /nfs/dbraw/zinc/93/42/88/239934288.db2.gz XAZKXMPPHAFTNC-JTQLQIEISA-N 1 0 330.222 2.958 10 10 EFCERO COc1ccnc(NC2CC[NH+](Cc3cccc(C)c3O)CC2)n1 ZINC000191687767 240001383 /nfs/dbraw/zinc/00/13/83/240001383.db2.gz MLSUSXJCKALDRF-UHFFFAOYSA-N 1 0 328.416 2.576 10 10 EFCERO O=C1[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CCN1Cc1ccc(F)cc1 ZINC000191771906 240004853 /nfs/dbraw/zinc/00/48/53/240004853.db2.gz YZNFRYQGDZPGDR-SFHVURJKSA-N 1 0 340.398 2.651 10 10 EFCERO CCOc1cccc(C[NH+]2CCC(c3nc(N(C)C)no3)CC2)c1O ZINC000191908888 240011527 /nfs/dbraw/zinc/01/15/27/240011527.db2.gz ZRVQWHQSPMCTRJ-UHFFFAOYSA-N 1 0 346.431 2.620 10 10 EFCERO Cc1cc(C(=O)NCC[C@H]2CCC[NH2+]C2)c(C)n1-c1ccccn1 ZINC000237729657 240246212 /nfs/dbraw/zinc/24/62/12/240246212.db2.gz RGSDZVJSQZKVHJ-MRXNPFEDSA-N 1 0 326.444 2.609 10 10 EFCERO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2C[C@@H](O)CN2Cc2ccccc2)c1 ZINC000248498588 240291707 /nfs/dbraw/zinc/29/17/07/240291707.db2.gz MHVASJVFODTJRV-QXAKKESOSA-N 1 0 340.467 2.987 10 10 EFCERO Cc1cc(-c2nc([C@@H]3C[NH2+]CCN3C)no2)c(C)n1-c1ccccc1 ZINC000263302157 240383422 /nfs/dbraw/zinc/38/34/22/240383422.db2.gz XFCHJOVPOFTZEO-KRWDZBQOSA-N 1 0 337.427 2.720 10 10 EFCERO C[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1cc(Br)ccc1O ZINC000273409067 240696140 /nfs/dbraw/zinc/69/61/40/240696140.db2.gz PFHNYGHLQRWWDM-WKEGUHRASA-N 1 0 328.128 2.729 10 10 EFCERO CN(C)c1ccc(C[NH+]2CCC(c3nnc4n3CCC4)CC2)cc1 ZINC000362623119 242261636 /nfs/dbraw/zinc/26/16/36/242261636.db2.gz QONCQXDYADLLRK-UHFFFAOYSA-N 1 0 325.460 2.670 10 10 EFCERO CCOC(=O)C1(COC)CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000366285078 242349208 /nfs/dbraw/zinc/34/92/08/242349208.db2.gz PVHLNEIOQOFJEN-UHFFFAOYSA-N 1 0 334.460 2.544 10 10 EFCERO Fc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)CO2 ZINC000367450501 242380819 /nfs/dbraw/zinc/38/08/19/242380819.db2.gz JGJPMMNKYYMASI-GOSISDBHSA-N 1 0 342.414 2.756 10 10 EFCERO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCN(C3CCOCC3)C2=O)cc1 ZINC000367412409 242380977 /nfs/dbraw/zinc/38/09/77/242380977.db2.gz JHXVDIJEPHKAQF-DNVCBOLYSA-N 1 0 345.487 2.573 10 10 EFCERO CN(C)c1cccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000075584067 203319294 /nfs/dbraw/zinc/31/92/94/203319294.db2.gz PBSLCCQXAWHMHI-UHFFFAOYSA-N 1 0 325.456 2.879 10 10 EFCERO C[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1cc(F)ccc1O ZINC000185408491 296159690 /nfs/dbraw/zinc/15/96/90/296159690.db2.gz QXFSYBLWEMPGJJ-CXAGYDPISA-N 1 0 330.403 2.881 10 10 EFCERO C[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1ccc(N(C)C)cc1 ZINC000166503269 533522233 /nfs/dbraw/zinc/52/22/33/533522233.db2.gz AIFMUGNWGSRHBB-NVXWUHKLSA-N 1 0 327.476 2.806 10 10 EFCERO C[C@H]1CN(c2ccc(C[NH2+]Cc3ccc4c(c3)CCO4)cn2)CCO1 ZINC000054175320 132190050 /nfs/dbraw/zinc/19/00/50/132190050.db2.gz CPGKTUXJPIXPME-HNNXBMFYSA-N 1 0 339.439 2.531 10 10 EFCERO COc1ccc2c(c1O)C[N@+]1(C)CCc3cc(OC)c(O)cc3[C@@H]1C2 ZINC000255226625 274140869 /nfs/dbraw/zinc/14/08/69/274140869.db2.gz LKLWVKCEYSPQHL-KKSFZXQISA-O 1 0 342.415 2.915 10 10 in-vitro EFCERO CCOC(=O)c1csc(CC[NH2+][C@@H]2CCc3cccc(O)c32)n1 ZINC000296335737 276303426 /nfs/dbraw/zinc/30/34/26/276303426.db2.gz GPQGPXWDPCHWDS-GFCCVEGCSA-N 1 0 332.425 2.845 10 10 EFCERO CN(C)c1ccc(C[NH2+]CCCN2CCCC2=O)c(C(F)(F)F)c1 ZINC000279932747 276802545 /nfs/dbraw/zinc/80/25/45/276802545.db2.gz NFIMSLUYIDAEFH-UHFFFAOYSA-N 1 0 343.393 2.874 10 10 EFCERO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]Cc3ccc(F)cc3)cc2)C1 ZINC000054178816 295107693 /nfs/dbraw/zinc/10/76/93/295107693.db2.gz MKNOQWIEVMEMHE-QGZVFWFLSA-N 1 0 341.430 2.817 10 10 EFCERO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)N(C)C)c1 ZINC000185407773 295167316 /nfs/dbraw/zinc/16/73/16/295167316.db2.gz RMHFDGCOMVSQDU-KDOFPFPSSA-N 1 0 342.439 2.751 10 10 EFCERO Cc1nn(C)c(N(C)C)c1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000058404164 472564066 /nfs/dbraw/zinc/56/40/66/472564066.db2.gz ZDBJWIZCOCODTN-UHFFFAOYSA-N 1 0 327.476 2.685 10 10 EFCERO CCc1noc([C@H](C)N2CC[NH+](Cc3cc(C)c(C)cc3O)CC2)n1 ZINC000112071158 473241385 /nfs/dbraw/zinc/24/13/85/473241385.db2.gz MCSHTZZJSXZHHH-HNNXBMFYSA-N 1 0 344.459 2.833 10 10 EFCERO CCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1C ZINC000095985025 473244121 /nfs/dbraw/zinc/24/41/21/473244121.db2.gz FFKAWIJXYVVERN-NVXWUHKLSA-N 1 0 325.474 2.839 10 10 EFCERO C[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1cc(Cl)ccc1O ZINC000185025332 473304533 /nfs/dbraw/zinc/30/45/33/473304533.db2.gz KDOFDABXIGAISC-LLVKDONJSA-N 1 0 329.791 2.872 10 10 EFCERO Cc1cc(O)c(C[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)cc1C ZINC000185071939 473318781 /nfs/dbraw/zinc/31/87/81/473318781.db2.gz YRTWNCBYGYHWTF-UHFFFAOYSA-N 1 0 345.418 2.670 10 10 EFCERO CCn1cc([C@@H]2OCC[C@@H]2C[NH2+]Cc2ccc3c(c2)CCO3)cn1 ZINC000083843519 473368765 /nfs/dbraw/zinc/36/87/65/473368765.db2.gz JZWPVZAKHBBEQP-VQIMIIECSA-N 1 0 327.428 2.705 10 10 EFCERO C[C@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1ccc(F)c(F)c1 ZINC000007219145 471598662 /nfs/dbraw/zinc/59/86/62/471598662.db2.gz FGUTZVOIXSQVOX-ZDUSSCGKSA-N 1 0 347.409 2.998 10 10 EFCERO C[C@H](NC(=O)c1ccccc1O)c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000055709765 472227674 /nfs/dbraw/zinc/22/76/74/472227674.db2.gz NVZAHSLFKKAVTD-HNNXBMFYSA-N 1 0 339.439 2.635 10 10 EFCERO COc1ccc(OC)c(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000043630191 472248941 /nfs/dbraw/zinc/24/89/41/472248941.db2.gz HOULTABFHNDBGN-UHFFFAOYSA-N 1 0 342.439 2.830 10 10 EFCERO CC[N@H+](Cc1cc(Br)ccc1O)CC1(O)CCOCC1 ZINC000154170292 472397649 /nfs/dbraw/zinc/39/76/49/472397649.db2.gz YAYOZAIMHDFEDS-UHFFFAOYSA-N 1 0 344.249 2.518 10 10 EFCERO COc1ccc(O)c(C[NH2+][C@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)c1 ZINC000089726381 472493577 /nfs/dbraw/zinc/49/35/77/472493577.db2.gz FVPSBGJJEZEFQJ-KSSFIOAISA-N 1 0 340.423 2.680 10 10 EFCERO C[C@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1ccc(N(C)C)cc1 ZINC000089732811 472495793 /nfs/dbraw/zinc/49/57/93/472495793.db2.gz FTQLNZSOBLYKCU-RDJZCZTQSA-N 1 0 325.460 2.862 10 10 EFCERO CCOCc1cc(C[NH2+][C@H]2CCN(C(C)=O)C[C@@H]2C)ccc1OC ZINC000089987041 472572578 /nfs/dbraw/zinc/57/25/78/472572578.db2.gz QCCCTVFEOYPKQO-KSSFIOAISA-N 1 0 334.460 2.578 10 10 EFCERO Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)[nH]n1 ZINC000090533732 472632342 /nfs/dbraw/zinc/63/23/42/472632342.db2.gz QHODLADBHXQLNY-ZFWWWQNUSA-N 1 0 346.450 2.976 10 10 EFCERO Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)[nH]n1 ZINC000090533728 472632365 /nfs/dbraw/zinc/63/23/65/472632365.db2.gz QHODLADBHXQLNY-HIFRSBDPSA-N 1 0 346.450 2.976 10 10 EFCERO Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)[nH]n1 ZINC000090533735 472632576 /nfs/dbraw/zinc/63/25/76/472632576.db2.gz QHODLADBHXQLNY-UKRRQHHQSA-N 1 0 346.450 2.976 10 10 EFCERO C[N@H+](Cc1cc(Cl)ccc1O)[C@@H]1CCCN(c2cccnn2)C1 ZINC000120205243 472648462 /nfs/dbraw/zinc/64/84/62/472648462.db2.gz QVSFQJXWCWNOPG-OAHLLOKOSA-N 1 0 332.835 2.936 10 10 EFCERO C[N@H+](Cc1cc(Cl)ccc1O)[C@H]1CCCN(c2cccnn2)C1 ZINC000120205457 472649168 /nfs/dbraw/zinc/64/91/68/472649168.db2.gz QVSFQJXWCWNOPG-HNNXBMFYSA-N 1 0 332.835 2.936 10 10 EFCERO CCOc1ccc(O)c(C[N@H+](C)[C@H]2CCCN(c3cccnn3)C2)c1 ZINC000120248977 472656571 /nfs/dbraw/zinc/65/65/71/472656571.db2.gz NFHMDTZHLSEWPO-INIZCTEOSA-N 1 0 342.443 2.682 10 10 EFCERO CCOc1ccc(O)c(C[N@H+](C)C[C@@H]2CCCN2c2cccnn2)c1 ZINC000120403963 472682999 /nfs/dbraw/zinc/68/29/99/472682999.db2.gz XNGOLCAUGXRGLF-INIZCTEOSA-N 1 0 342.443 2.682 10 10 EFCERO CC[C@H]([NH2+]C[C@H]1CCCN1c1cc(NC)ncn1)c1ccccc1O ZINC000156501861 472715338 /nfs/dbraw/zinc/71/53/38/472715338.db2.gz YISOLRWGJJBUHH-ZBFHGGJFSA-N 1 0 341.459 2.934 10 10 EFCERO C[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H]1n1ccnc1 ZINC000091960310 472833663 /nfs/dbraw/zinc/83/36/63/472833663.db2.gz NSCIIRCTHBIUFG-PXNSSMCTSA-N 1 0 340.471 2.803 10 10 EFCERO CCCOc1ccc(C[NH+]2CCC(N3CCO[C@H](C)C3)CC2)c(O)c1 ZINC000092079642 472856937 /nfs/dbraw/zinc/85/69/37/472856937.db2.gz VBEVJIQZFHHOLJ-MRXNPFEDSA-N 1 0 348.487 2.866 10 10 EFCERO COC(=O)[C@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000092643637 472948882 /nfs/dbraw/zinc/94/88/82/472948882.db2.gz AFGDYAPESDGLIB-JTQLQIEISA-N 1 0 328.206 2.540 10 10 EFCERO CCOc1ccc(O)c(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c1 ZINC000092662369 472958216 /nfs/dbraw/zinc/95/82/16/472958216.db2.gz CHEFZUKSGUHVKC-SFHVURJKSA-N 1 0 335.444 2.951 10 10 EFCERO C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000093147347 473053594 /nfs/dbraw/zinc/05/35/94/473053594.db2.gz FXVIQQXWTYUURY-QGZVFWFLSA-N 1 0 337.895 2.648 10 10 EFCERO Cc1ccc(N2CCC[N@H+](Cc3cc(Cl)ccc3O)CC2)nn1 ZINC000093271806 473070713 /nfs/dbraw/zinc/07/07/13/473070713.db2.gz KSSZZKNSOSUZFT-UHFFFAOYSA-N 1 0 332.835 2.856 10 10 EFCERO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000123184154 473108723 /nfs/dbraw/zinc/10/87/23/473108723.db2.gz AFGDYAPESDGLIB-SNVBAGLBSA-N 1 0 328.206 2.540 10 10 EFCERO CCOc1cccc(C[NH2+][C@H]2C[C@@H](OCC)C23CCOCC3)c1O ZINC000185671181 473484976 /nfs/dbraw/zinc/48/49/76/473484976.db2.gz RWOCLIGVWMFXQH-DLBZAZTESA-N 1 0 335.444 2.855 10 10 EFCERO CCOc1ccc(O)c(C[NH2+]Cc2nc3cc(OC)ccc3n2C)c1 ZINC000185839382 473527579 /nfs/dbraw/zinc/52/75/79/473527579.db2.gz BEUFYASATFYGIJ-UHFFFAOYSA-N 1 0 341.411 2.976 10 10 EFCERO CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2cc(C)ccc2O)ncn1 ZINC000185992314 473566569 /nfs/dbraw/zinc/56/65/69/473566569.db2.gz ZBWBFHOEZMRWRY-LSDHHAIUSA-N 1 0 341.459 2.852 10 10 EFCERO CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2cc(F)ccc2O)ncn1 ZINC000185992828 473566583 /nfs/dbraw/zinc/56/65/83/473566583.db2.gz CHAABBZZFHZYMI-GXTWGEPZSA-N 1 0 345.422 2.683 10 10 EFCERO Cc1ccc(C(=O)NCc2ccc(N3CC[NH2+]CC3)c(F)c2)s1 ZINC000170676653 473582532 /nfs/dbraw/zinc/58/25/32/473582532.db2.gz FKJJEMCZDZWETQ-UHFFFAOYSA-N 1 0 333.432 2.535 10 10 EFCERO Cc1nn(C)c(C)c1CN1CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000152660922 473587061 /nfs/dbraw/zinc/58/70/61/473587061.db2.gz QMZSEXMNLJYPES-UHFFFAOYSA-N 1 0 342.487 2.677 10 10 EFCERO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)C12CCOCC2 ZINC000186297726 473641576 /nfs/dbraw/zinc/64/15/76/473641576.db2.gz COXIIRNAQSZMNN-MSOLQXFVSA-N 1 0 336.451 2.956 10 10 EFCERO Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3cc(C)ccc3O)C2=O)n(C)n1 ZINC000186327560 473650695 /nfs/dbraw/zinc/65/06/95/473650695.db2.gz CBQOOJRWOVKXKF-GOEBONIOSA-N 1 0 342.443 2.589 10 10 EFCERO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000179464121 473689790 /nfs/dbraw/zinc/68/97/90/473689790.db2.gz BBWOUNIJUFYJEB-CYBMUJFWSA-N 1 0 337.221 2.583 10 10 EFCERO c1cc(N2CCOCC2)ccc1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000179644154 473702528 /nfs/dbraw/zinc/70/25/28/473702528.db2.gz OPMLBBZKWUZQSV-HXUWFJFHSA-N 1 0 329.488 2.583 10 10 EFCERO Oc1cc2c(cc1C[NH2+][C@@H]1CCOC3(CCSCC3)C1)OCO2 ZINC000269341293 473779499 /nfs/dbraw/zinc/77/94/99/473779499.db2.gz PBAMVCWEMNJXQL-CYBMUJFWSA-N 1 0 337.441 2.655 10 10 EFCERO Cc1cc(Cl)cc(C[N@@H+]2CCCN(c3cccnn3)CC2)c1O ZINC000180078111 473792447 /nfs/dbraw/zinc/79/24/47/473792447.db2.gz JVBPQXDGNGWKGE-UHFFFAOYSA-N 1 0 332.835 2.856 10 10 EFCERO CCn1cc(CN2CCC[N@H+](Cc3cccc(C)c3O)CC2)cn1 ZINC000180111894 473801288 /nfs/dbraw/zinc/80/12/88/473801288.db2.gz IWPXVIJDUGQUCR-UHFFFAOYSA-N 1 0 328.460 2.625 10 10 EFCERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000180125809 473805446 /nfs/dbraw/zinc/80/54/46/473805446.db2.gz ZGMAVEUQMZNDHL-FQEVSTJZSA-N 1 0 340.471 2.693 10 10 EFCERO Cc1cc(Cl)cc(C[N@H+](CCO)CCOCC(F)(F)F)c1O ZINC000180185419 473822240 /nfs/dbraw/zinc/82/22/40/473822240.db2.gz XHSVYGZTSHMIKV-UHFFFAOYSA-N 1 0 341.757 2.727 10 10 EFCERO COc1ccc(O)c(C[N@H+](C)[C@H]2CCN(c3ccccc3F)C2=O)c1 ZINC000180238574 473836445 /nfs/dbraw/zinc/83/64/45/473836445.db2.gz CUJZKJULTNWEDP-KRWDZBQOSA-N 1 0 344.386 2.777 10 10 EFCERO CCOCc1cc(C[NH2+][C@H]2CCC(=O)NC23CCC3)ccc1OC ZINC000282642899 474139336 /nfs/dbraw/zinc/13/93/36/474139336.db2.gz HFCXILUYNVZKLZ-KRWDZBQOSA-N 1 0 332.444 2.523 10 10 EFCERO CCN(CC)c1ccc(C[NH2+][C@H](Cn2cncn2)C2CC2)cc1F ZINC000225408168 474211275 /nfs/dbraw/zinc/21/12/75/474211275.db2.gz STGLARLDCOSZAY-QGZVFWFLSA-N 1 0 331.439 2.832 10 10 EFCERO CCCOc1ccc(C[NH+]2CCN(c3cc(C)[nH]n3)CC2)c(O)c1 ZINC000189021219 474266614 /nfs/dbraw/zinc/26/66/14/474266614.db2.gz XQZUPNLRLRSCOW-UHFFFAOYSA-N 1 0 330.432 2.535 10 10 EFCERO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccccc1O ZINC000189050494 474277026 /nfs/dbraw/zinc/27/70/26/474277026.db2.gz NFDZWFQFNQNICP-GUYCJALGSA-N 1 0 328.387 2.983 10 10 EFCERO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c(O)c1O ZINC000182941853 474292972 /nfs/dbraw/zinc/29/29/72/474292972.db2.gz NUCNHRZYXACVJQ-JKSUJKDBSA-N 1 0 326.396 2.581 10 10 EFCERO C[C@H]([NH2+]C[C@H]1C[C@H](O)CN1Cc1ccccc1)c1ccccc1O ZINC000183631963 474403022 /nfs/dbraw/zinc/40/30/22/474403022.db2.gz AXSHFHJWRGMSMM-JQHSSLGASA-N 1 0 326.440 2.678 10 10 EFCERO COc1cc(O)c(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)cc1OC ZINC000271116653 474403095 /nfs/dbraw/zinc/40/30/95/474403095.db2.gz WIEBRZVHYMLFMJ-LBPRGKRZSA-N 1 0 337.416 2.573 10 10 EFCERO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)C1CCCCC1 ZINC000276476633 474557937 /nfs/dbraw/zinc/55/79/37/474557937.db2.gz ODRGZESDNQSOGJ-HXUWFJFHSA-N 1 0 332.488 2.896 10 10 EFCERO COc1ccc(O)c(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c1 ZINC000290108189 474558569 /nfs/dbraw/zinc/55/85/69/474558569.db2.gz IAURVJORFLILTR-WFASDCNBSA-N 1 0 336.432 2.888 10 10 EFCERO O=c1[nH]ccc2c1C[N@H+](Cc1cc(Br)ccc1O)CC2 ZINC000277125609 474578712 /nfs/dbraw/zinc/57/87/12/474578712.db2.gz YDUNQYIPPMIEJD-UHFFFAOYSA-N 1 0 335.201 2.814 10 10 EFCERO CON(C)C(=O)C1CC[NH+](Cc2cc(Cl)cc(C)c2O)CC1 ZINC000291021832 474590911 /nfs/dbraw/zinc/59/09/11/474590911.db2.gz AKLONCUINQTOOP-UHFFFAOYSA-N 1 0 326.824 2.586 10 10 EFCERO Cc1cc(N2CCC[C@@H]([NH2+]Cc3c(O)cccc3Cl)C2)n(C)n1 ZINC000277801487 474596366 /nfs/dbraw/zinc/59/63/66/474596366.db2.gz XNVTZYLPMZJXID-CYBMUJFWSA-N 1 0 334.851 2.846 10 10 EFCERO Cc1cc(N2CCC[C@H]([NH2+]Cc3c(O)cccc3Cl)C2)n(C)n1 ZINC000277801493 474596471 /nfs/dbraw/zinc/59/64/71/474596471.db2.gz XNVTZYLPMZJXID-ZDUSSCGKSA-N 1 0 334.851 2.846 10 10 EFCERO Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3cc(F)ccc3O)C2)n(C)n1 ZINC000278172515 474602755 /nfs/dbraw/zinc/60/27/55/474602755.db2.gz BBSQMZFBQSNWQS-ZFWWWQNUSA-N 1 0 332.423 2.893 10 10 EFCERO CCOc1ccc(O)c(C[NH2+]Cc2cccc(N3CCOCC3)c2)c1 ZINC000292846584 474673032 /nfs/dbraw/zinc/67/30/32/474673032.db2.gz BMBASMYSBSWGIP-UHFFFAOYSA-N 1 0 342.439 2.917 10 10 EFCERO C[NH+]1CCC(CC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC1 ZINC000273160603 474749599 /nfs/dbraw/zinc/74/95/99/474749599.db2.gz BWPAGMIVKRUFFM-SFHVURJKSA-N 1 0 346.471 2.632 10 10 EFCERO C[C@H]1C[C@@H](C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC[N@@H+]1C ZINC000279186150 474965873 /nfs/dbraw/zinc/96/58/73/474965873.db2.gz KVBHHPIHQDMUCI-BQFCYCMXSA-N 1 0 346.471 2.630 10 10 EFCERO COc1cc(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])cc1OC ZINC000286196126 475056012 /nfs/dbraw/zinc/05/60/12/475056012.db2.gz ATUJDRPUXYOQEO-FUNVUKJBSA-N 1 0 335.404 2.673 10 10 EFCERO COCCOC1(C[NH2+]Cc2cc(Cl)cc(C)c2O)CCOCC1 ZINC000294660075 475078705 /nfs/dbraw/zinc/07/87/05/475078705.db2.gz AAZJVTIDCPMDAY-UHFFFAOYSA-N 1 0 343.851 2.656 10 10 EFCERO CN(C)c1ccc(CN(C)C(=O)NC2CC([NH+]3CCCCC3)C2)cc1 ZINC000373498048 476410981 /nfs/dbraw/zinc/41/09/81/476410981.db2.gz WXIOYTBBVDTSQD-UHFFFAOYSA-N 1 0 344.503 2.911 10 10 EFCERO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000373736452 476423457 /nfs/dbraw/zinc/42/34/57/476423457.db2.gz BAPMLDJVCLDKMQ-WLTAIBSBSA-N 1 0 329.227 2.785 10 10 EFCERO c1cc(N2CCOCC2)ccc1CNC1CC([NH+]2CCCCC2)C1 ZINC000369536062 476424876 /nfs/dbraw/zinc/42/48/76/476424876.db2.gz DRXYJOTZYIBCES-UHFFFAOYSA-N 1 0 329.488 2.630 10 10 EFCERO CCOc1cccc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c1O ZINC000373975127 476445290 /nfs/dbraw/zinc/44/52/90/476445290.db2.gz GLXXOIZHTZHXDU-VCBZYWHSSA-N 1 0 335.444 2.949 10 10 EFCERO COc1cccc(C[NH2+][C@@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)c1O ZINC000374266294 476465060 /nfs/dbraw/zinc/46/50/60/476465060.db2.gz VFASSMAORNOJCN-WMLDXEAASA-N 1 0 340.423 2.680 10 10 EFCERO CCCC[N@H+](CC(=O)N1CCOC[C@@H]1C1CC1)Cc1ccccc1O ZINC000374522562 476485970 /nfs/dbraw/zinc/48/59/70/476485970.db2.gz TVHFEEQTJWZQEM-GOSISDBHSA-N 1 0 346.471 2.632 10 10 EFCERO CCCC[N@H+](CC(=O)N1CCOC[C@H]1C1CC1)Cc1ccccc1O ZINC000374522564 476485997 /nfs/dbraw/zinc/48/59/97/476485997.db2.gz TVHFEEQTJWZQEM-SFHVURJKSA-N 1 0 346.471 2.632 10 10 EFCERO Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000374703682 476496719 /nfs/dbraw/zinc/49/67/19/476496719.db2.gz SDHHSQGGRTZWMM-BLLLJJGKSA-N 1 0 325.836 2.703 10 10 EFCERO Oc1ccc(Cl)cc1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000374703685 476497143 /nfs/dbraw/zinc/49/71/43/476497143.db2.gz SDHHSQGGRTZWMM-WBMJQRKESA-N 1 0 325.836 2.703 10 10 EFCERO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)c1O ZINC000378048464 476678914 /nfs/dbraw/zinc/67/89/14/476678914.db2.gz WVCAKKDETIMOFS-CYBMUJFWSA-N 1 0 329.375 2.904 10 10 EFCERO [O-]c1c(F)cc(Cl)cc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530248538 477879596 /nfs/dbraw/zinc/87/95/96/477879596.db2.gz LVZSJBDTRVUQJN-OAHLLOKOSA-N 1 0 342.842 2.775 10 10 EFCERO COc1ccc(CN2CC[C@H]2C[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000527770661 478512334 /nfs/dbraw/zinc/51/23/34/478512334.db2.gz CPIWYAUEYJRJSJ-IBGZPJMESA-N 1 0 338.451 2.994 10 10 EFCERO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3C[NH2+]CC[C@@H]3C)ccc21 ZINC000577526004 479594011 /nfs/dbraw/zinc/59/40/11/479594011.db2.gz RLEJPAFCUXQDPM-SCLBCKFNSA-N 1 0 343.471 2.632 10 10 EFCERO CCN(CC)c1ccc(CNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cc1 ZINC000174133289 528302918 /nfs/dbraw/zinc/30/29/18/528302918.db2.gz NPMBOOXEVDSQHI-LJQANCHMSA-N 1 0 342.487 2.689 10 10 EFCERO CC(C)[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])N1CC[NH+](C)CC1 ZINC000294159022 535192913 /nfs/dbraw/zinc/19/29/13/535192913.db2.gz ILHOQUCQGODMPE-MRXNPFEDSA-N 1 0 343.874 2.546 10 10 EFCERO CCOCCNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435517979 535614791 /nfs/dbraw/zinc/61/47/91/535614791.db2.gz ZDZCFYGZZPSEEX-UHFFFAOYSA-N 1 0 343.471 2.561 10 10 EFCERO COc1ccc(N2CCC[N@H+](C[C@@H](O)CC(F)(F)F)CC2)cc1 ZINC000249283419 536672396 /nfs/dbraw/zinc/67/23/96/536672396.db2.gz LEPCDJXMJOESPE-AWEZNQCLSA-N 1 0 332.366 2.521 10 10 EFCERO COc1cc(O)c(C[NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)cc1OC ZINC000365260057 536856013 /nfs/dbraw/zinc/85/60/13/536856013.db2.gz RZKGOOWQFYNBJI-OAHLLOKOSA-N 1 0 345.443 2.834 10 10 EFCERO COc1cc(O)c(C[NH2+][C@H]2CCc3cnn(C(C)C)c3C2)cc1OC ZINC000365260056 536857301 /nfs/dbraw/zinc/85/73/01/536857301.db2.gz RZKGOOWQFYNBJI-HNNXBMFYSA-N 1 0 345.443 2.834 10 10 EFCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC(C)(F)C2)C1 ZINC000684326395 550025627 /nfs/dbraw/zinc/02/56/27/550025627.db2.gz BEUBIWSJFKZLLQ-UHFFFAOYSA-N 1 0 343.446 2.978 10 10 EFCERO COc1cc(C)cc(C[NH+]2CCN(Cc3csc(C)n3)CC2)c1O ZINC000754723492 575477480 /nfs/dbraw/zinc/47/74/80/575477480.db2.gz MOYPDXSOOOGGKC-UHFFFAOYSA-N 1 0 347.484 2.792 10 10 EFCERO C[C@@H]([NH2+]C1CCC(C(N)=O)CC1)c1cc(Br)ccc1O ZINC000756704429 575779187 /nfs/dbraw/zinc/77/91/87/575779187.db2.gz NMKUSZVULKDZIT-GRZMOONWSA-N 1 0 341.249 2.849 10 10 EFCERO CC(C)(C)[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H]1O ZINC000757866883 575854896 /nfs/dbraw/zinc/85/48/96/575854896.db2.gz ONLUQWZITHOJTJ-MOPGFXCFSA-N 1 0 332.488 2.752 10 10 EFCERO COc1ccc(N2CC[NH+](CCNc3ccnc(Cl)c3)CC2)cc1 ZINC000758414963 575869207 /nfs/dbraw/zinc/86/92/07/575869207.db2.gz FYZLEGMIDDHMLV-UHFFFAOYSA-N 1 0 346.862 2.978 10 10 EFCERO C[NH+]1CCN(c2ccc(CNc3nnc(C(C)(C)C)o3)cc2)CC1 ZINC000758456428 575870158 /nfs/dbraw/zinc/87/01/58/575870158.db2.gz FOBDOQHPMAUKNE-UHFFFAOYSA-N 1 0 329.448 2.731 10 10 EFCERO C[C@H]([NH2+]CCc1ccn(C)n1)c1ccc(N2CCOCC2)cc1Cl ZINC000760896335 576085791 /nfs/dbraw/zinc/08/57/91/576085791.db2.gz KITOMODDTWGAGO-AWEZNQCLSA-N 1 0 348.878 2.803 10 10 EFCERO OCC[C@]1(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)CCOC1 ZINC000761973483 576235824 /nfs/dbraw/zinc/23/58/24/576235824.db2.gz MUCTZQCRMNGAHW-HXUWFJFHSA-N 1 0 327.424 2.938 10 10 EFCERO COc1cc(Br)cc(C[NH2+][C@@H]2CCOC[C@@H]2C)c1O ZINC000762485983 576306752 /nfs/dbraw/zinc/30/67/52/576306752.db2.gz LREAKGZUBDZVQK-JOYOIKCWSA-N 1 0 330.222 2.678 10 10 EFCERO C[C@H]([NH2+][C@@H]1CCCN(C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000765281844 577026787 /nfs/dbraw/zinc/02/67/87/577026787.db2.gz SVDLCIMFBABDAQ-LSDHHAIUSA-N 1 0 337.895 2.921 10 10 EFCERO COc1cccc(N2C[C@H]([NH2+]Cc3ccc(N(C)C)cc3)CC2=O)c1 ZINC000725853337 577251119 /nfs/dbraw/zinc/25/11/19/577251119.db2.gz OQZSNXMSXQMWBR-MRXNPFEDSA-N 1 0 339.439 2.656 10 10 EFCERO COc1cc(C[NH+]2CCC(c3nnc4n3CCC4)CC2)c(O)cc1C ZINC000768441034 577273799 /nfs/dbraw/zinc/27/37/99/577273799.db2.gz CQZZXXBWKAIMOS-UHFFFAOYSA-N 1 0 342.443 2.627 10 10 EFCERO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768448305 577274616 /nfs/dbraw/zinc/27/46/16/577274616.db2.gz BTSXAESHNBIJMP-MJWYBRSISA-N 1 0 341.407 2.780 10 10 EFCERO Cc1csc(C2([NH2+]Cc3cc4c(cc3O)OC[C@@H]4O)CCC2)n1 ZINC000768464899 577276215 /nfs/dbraw/zinc/27/62/15/577276215.db2.gz GFHNVJPUQYFVFV-AWEZNQCLSA-N 1 0 332.425 2.752 10 10 EFCERO CCOc1ccc(C[N@@H+]2CCNC(=O)C[C@@H]2c2ccccc2)c(O)c1 ZINC000768901882 577315470 /nfs/dbraw/zinc/31/54/70/577315470.db2.gz BERARNOSPIWRKZ-GOSISDBHSA-N 1 0 340.423 2.854 10 10 EFCERO CCc1cnc(N2CC[NH+](Cc3cccc(OC)c3O)CC2)s1 ZINC000769404032 577359766 /nfs/dbraw/zinc/35/97/66/577359766.db2.gz MRJXEUVPPIUWFO-UHFFFAOYSA-N 1 0 333.457 2.742 10 10 EFCERO CCOc1cccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c1O ZINC000769405962 577360104 /nfs/dbraw/zinc/36/01/04/577360104.db2.gz ZMIVCWGZLLIYIR-MRXNPFEDSA-N 1 0 332.444 2.625 10 10 EFCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)OCCCCO)C1 ZINC000769664569 577377563 /nfs/dbraw/zinc/37/75/63/577377563.db2.gz IDLLLJWERQBBFQ-UHFFFAOYSA-N 1 0 344.455 2.724 10 10 EFCERO Cc1cncc(/C=C\C(=O)N2C[C@@H](C[NH+](C)C)Oc3ccccc32)c1 ZINC000772169663 581291794 /nfs/dbraw/zinc/29/17/94/581291794.db2.gz QDLDQDRBCMOONX-XZVRFQMRSA-N 1 0 337.423 2.759 10 10 EFCERO CCN(C)c1ccc(C[NH+]2CCN(c3ccnc(C)n3)CC2)cc1 ZINC000773843412 581469098 /nfs/dbraw/zinc/46/90/98/581469098.db2.gz BFGSEBOARGNNLV-UHFFFAOYSA-N 1 0 325.460 2.563 10 10 EFCERO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000774681194 581497569 /nfs/dbraw/zinc/49/75/69/581497569.db2.gz ZNGKKHRCUQDICV-ROUUACIJSA-N 1 0 347.455 2.814 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)c2cccnc2C)cc1C ZINC001691454165 1249158912 /nfs/dbraw/zinc/15/89/12/1249158912.db2.gz SRDAGKNBWXMYLF-UHFFFAOYSA-N 1 0 327.428 2.569 10 10 EFCERO C[C@H](F)CC[NH2+][C@H]1C[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001691481074 1249220799 /nfs/dbraw/zinc/22/07/99/1249220799.db2.gz FUDFSGPHBYUUCT-SLEUVZQESA-N 1 0 349.410 2.695 10 10 EFCERO COc1cc(C[NH2+]CCCN2CCCC2=O)c(O)c(C(C)(C)C)c1 ZINC000850011896 1250221412 /nfs/dbraw/zinc/22/14/12/1250221412.db2.gz ZBHDXWUXVVIYBK-UHFFFAOYSA-N 1 0 334.460 2.800 10 10 EFCERO CC[N@H+](CCNC(=O)c1ccc(N=NC(N)=O)cc1)CCC(C)C ZINC001691059902 1248323844 /nfs/dbraw/zinc/32/38/44/1248323844.db2.gz YZAKRBKLQBHPTB-UHFFFAOYSA-N 1 0 333.436 2.947 10 10 EFCERO COc1cc(C[NH2+]C[C@H](CO)c2cccnc2)c(O)c(C(C)(C)C)c1 ZINC000850300001 1250410092 /nfs/dbraw/zinc/41/00/92/1250410092.db2.gz CEKDVJBABYQQSB-MRXNPFEDSA-N 1 0 344.455 2.959 10 10 EFCERO COCC[C@@H](COC)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850306577 1250415312 /nfs/dbraw/zinc/41/53/12/1250415312.db2.gz XIXKXVMYSAIVGK-AWEZNQCLSA-N 1 0 325.449 2.839 10 10 EFCERO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccnn3CC3CC3)C2)cc1 ZINC000850346809 1250440662 /nfs/dbraw/zinc/44/06/62/1250440662.db2.gz KQMCLBHJRLMPJB-MRXNPFEDSA-N 1 0 326.444 2.670 10 10 EFCERO CO[C@H](C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)[C@@H]1CCOC1 ZINC000850342890 1250441380 /nfs/dbraw/zinc/44/13/80/1250441380.db2.gz OEKXWRQGFQVNLW-CZUORRHYSA-N 1 0 346.393 2.913 10 10 EFCERO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccc(OC)c(O)c3)C2)cc1 ZINC000850345432 1250441843 /nfs/dbraw/zinc/44/18/43/1250441843.db2.gz AARHCWRJPPOBEW-OAHLLOKOSA-N 1 0 328.412 2.778 10 10 EFCERO COc1ccc(N2CC[C@H]([NH2+]Cc3cccc(OC)c3O)C2)cc1 ZINC000850345902 1250442504 /nfs/dbraw/zinc/44/25/04/1250442504.db2.gz NJBGUMRGNLBSAV-HNNXBMFYSA-N 1 0 328.412 2.778 10 10 EFCERO COc1ccc(N2CC[C@@H]([NH2+]Cc3c(O)cccc3OC)C2)cc1 ZINC000850345682 1250442647 /nfs/dbraw/zinc/44/26/47/1250442647.db2.gz HTXBREMMQTYGMF-CQSZACIVSA-N 1 0 328.412 2.778 10 10 EFCERO COc1ccc(N2CC[C@H]([NH2+]Cc3cnc(N(C)C)s3)C2)cc1 ZINC000850345850 1250442698 /nfs/dbraw/zinc/44/26/98/1250442698.db2.gz MGOBQJSIGZHPBB-ZDUSSCGKSA-N 1 0 332.473 2.586 10 10 EFCERO CN(C)c1ccc(/C=C/C[NH2+]CC[S@](=O)CC(F)(F)F)cc1 ZINC000850348967 1250444259 /nfs/dbraw/zinc/44/42/59/1250444259.db2.gz BOESKEALEIXPRW-SIAOZKNOSA-N 1 0 334.407 2.666 10 10 EFCERO COc1cccc(O)c1C[NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC000850403804 1250468216 /nfs/dbraw/zinc/46/82/16/1250468216.db2.gz PQKHTQTZPUDEFQ-UHFFFAOYSA-N 1 0 348.443 2.890 10 10 EFCERO CCC[N@H+](C)CC(C)(C)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000850410482 1250471004 /nfs/dbraw/zinc/47/10/04/1250471004.db2.gz VDILUAFCXRKFLG-UHFFFAOYSA-N 1 0 337.483 2.872 10 10 EFCERO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@H]3CCCC34CC4)cc2)C1 ZINC000850426404 1250481030 /nfs/dbraw/zinc/48/10/30/1250481030.db2.gz VFDUIDAIGSQPIG-AEFFLSMTSA-N 1 0 327.472 2.811 10 10 EFCERO C[C@@H](CSCCF)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000850473388 1250497399 /nfs/dbraw/zinc/49/73/99/1250497399.db2.gz FIRCYYKGNTYIGJ-LBPRGKRZSA-N 1 0 348.434 2.982 10 10 EFCERO COc1ccc(N2CC[C@H]([NH2+][C@H]3CCCc4c3cnn4C)C2)cc1 ZINC000850489591 1250501168 /nfs/dbraw/zinc/50/11/68/1250501168.db2.gz VRZQXKWZAWUERP-KSSFIOAISA-N 1 0 326.444 2.675 10 10 EFCERO COc1ccc(N2CC[C@@H]([NH2+][C@H](c3nccn3C)C3CC3)C2)cc1 ZINC000850486195 1250502213 /nfs/dbraw/zinc/50/22/13/1250502213.db2.gz AOSUCTNAIZYFJR-QAPCUYQASA-N 1 0 326.444 2.748 10 10 EFCERO COC[C@H](CC[NH2+][C@H](C)c1ccc(Br)cc1O)OC ZINC000850487210 1250504365 /nfs/dbraw/zinc/50/43/65/1250504365.db2.gz YFCSBZLRCZYATE-PWSUYJOCSA-N 1 0 332.238 2.857 10 10 EFCERO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)CC(=O)OC(C)(C)C)C2)cc1 ZINC000850488066 1250504398 /nfs/dbraw/zinc/50/43/98/1250504398.db2.gz KULRSXRZGQYJCS-GJZGRUSLSA-N 1 0 334.460 2.984 10 10 EFCERO COc1ccc(N2CC[C@H]([NH2+][C@H](C)Cc3ccc(OC)nc3)C2)cc1 ZINC000850487830 1250504570 /nfs/dbraw/zinc/50/45/70/1250504570.db2.gz PLCYSTGYHRHXFR-WBVHZDCISA-N 1 0 341.455 2.898 10 10 EFCERO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2Cc3ccccc3N(C)C2=O)c1 ZINC000850500260 1250510764 /nfs/dbraw/zinc/51/07/64/1250510764.db2.gz FAENPRNKYPNFTA-MLGOLLRUSA-N 1 0 326.396 2.639 10 10 EFCERO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2Cc3ccccc3N(C)C2=O)c1 ZINC000850500251 1250511071 /nfs/dbraw/zinc/51/10/71/1250511071.db2.gz FAENPRNKYPNFTA-BLLLJJGKSA-N 1 0 326.396 2.639 10 10 EFCERO C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(F)cc1[O-] ZINC000850509708 1250515167 /nfs/dbraw/zinc/51/51/67/1250515167.db2.gz RCJXAQHWMMNKTR-KSSFIOAISA-N 1 0 344.430 2.949 10 10 EFCERO Cc1cc(C)c([C@H](C)[NH2+]CCS(=O)(=O)CC(F)(F)F)c(O)c1 ZINC000850518013 1250520269 /nfs/dbraw/zinc/52/02/69/1250520269.db2.gz INJQEKPRMOQQAZ-NSHDSACASA-N 1 0 339.379 2.637 10 10 EFCERO C[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1cc(Cl)ccc1O ZINC000850520790 1250523369 /nfs/dbraw/zinc/52/33/69/1250523369.db2.gz YFXKLPGZLYHFJS-MRVPVSSYSA-N 1 0 345.770 2.673 10 10 EFCERO C[C@@H]([NH2+]CCO[C@@H]1CC1(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000850519429 1250523824 /nfs/dbraw/zinc/52/38/24/1250523824.db2.gz LTRHFVRIJMYUDJ-MLGOLLRUSA-N 1 0 344.377 2.737 10 10 EFCERO Oc1cccc2c1[C@H]([NH2+][C@@H]1C[C@@H](N3CCOCC3)C13CCC3)CC2 ZINC000850555651 1250533292 /nfs/dbraw/zinc/53/32/92/1250533292.db2.gz AMTQEEBFHPXOAK-KBAYOESNSA-N 1 0 328.456 2.613 10 10 EFCERO CCS(=O)(=O)C1(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)CC1 ZINC000850558413 1250536011 /nfs/dbraw/zinc/53/60/11/1250536011.db2.gz SALZFMRWXLRKLU-CMPLNLGQSA-N 1 0 327.421 2.637 10 10 EFCERO Cc1ccc([C@H](C)[NH2+]CCN2C[C@H]3CCCCN3C2=O)c(O)c1C ZINC000850561631 1250537554 /nfs/dbraw/zinc/53/75/54/1250537554.db2.gz KECWMSBQGIHMAM-JKSUJKDBSA-N 1 0 331.460 2.950 10 10 EFCERO CN(Cc1ccccc1O)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000850760499 1250599311 /nfs/dbraw/zinc/59/93/11/1250599311.db2.gz SSQFBTOEVBTLDP-GOSISDBHSA-N 1 0 341.411 2.717 10 10 EFCERO COc1ccc(N2CCN(CC[N@H+]3C[C@H](C)C[C@H](C)C3)CC2)cc1 ZINC000851713550 1251218352 /nfs/dbraw/zinc/21/83/52/1251218352.db2.gz FNVPZWZOMKYLGV-HDICACEKSA-N 1 0 331.504 2.795 10 10 EFCERO CCC(CC)C[NH2+]CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001691630746 1251883029 /nfs/dbraw/zinc/88/30/29/1251883029.db2.gz FAESJSZGVBGIRI-UHFFFAOYSA-N 1 0 333.436 2.947 10 10 EFCERO CC[C@@H](OC)C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001484083312 1252222775 /nfs/dbraw/zinc/22/27/75/1252222775.db2.gz MXLZYQVSZNMPGO-XLIONFOSSA-N 1 0 348.487 2.757 10 10 EFCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)C(=O)C(C)(C)C ZINC001273298374 1265837150 /nfs/dbraw/zinc/83/71/50/1265837150.db2.gz NFHFEYUFXDIFTR-UHFFFAOYSA-N 1 0 334.460 2.557 10 10 EFCERO COc1ccc(C[NH2+]CC2CCC(S(C)(=O)=O)CC2)cc1C ZINC000922421665 1265979657 /nfs/dbraw/zinc/97/96/57/1265979657.db2.gz ILFOYCUGGMFKQD-UHFFFAOYSA-N 1 0 325.474 2.697 10 10 EFCERO C[C@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)[C@H]1CC1(C)C ZINC000785432036 1256298887 /nfs/dbraw/zinc/29/88/87/1256298887.db2.gz OMBMYLMUOJGPHW-QILLFSRXSA-N 1 0 329.488 2.913 10 10 EFCERO FC(F)(F)[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)O1 ZINC000922463014 1266090438 /nfs/dbraw/zinc/09/04/38/1266090438.db2.gz QMZLZSUKPLAMBQ-HOTGVXAUSA-N 1 0 344.377 2.723 10 10 EFCERO C[C@H]1[C@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCN1C ZINC000922559831 1266242988 /nfs/dbraw/zinc/24/29/88/1266242988.db2.gz OXSDDOBZNLBBLS-GOEBONIOSA-N 1 0 332.448 2.767 10 10 EFCERO C[C@H]1[C@@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCN1C ZINC000922559833 1266243681 /nfs/dbraw/zinc/24/36/81/1266243681.db2.gz OXSDDOBZNLBBLS-HOCLYGCPSA-N 1 0 332.448 2.767 10 10 EFCERO CCOc1ccc(O)c(C[NH2+][C@H](C)C2CCN(C(=O)OC)CC2)c1 ZINC000186362648 1259258594 /nfs/dbraw/zinc/25/85/94/1259258594.db2.gz CHKWRIWIHDPHSS-CYBMUJFWSA-N 1 0 336.432 2.747 10 10 EFCERO CCOCc1cc(C[NH2+]C[C@@]2(OC)CCSC2)ccc1OC ZINC000922571651 1266275412 /nfs/dbraw/zinc/27/54/12/1266275412.db2.gz MVQVDQPWSIBHGQ-KRWDZBQOSA-N 1 0 325.474 2.843 10 10 EFCERO O=c1cc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc[nH]1 ZINC000921745831 1261355235 /nfs/dbraw/zinc/35/52/35/1261355235.db2.gz ZSIYOFOQPYJGAJ-INIZCTEOSA-N 1 0 347.846 2.900 10 10 EFCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)c2cc(F)c[nH]2)cc1C ZINC001272922433 1261390563 /nfs/dbraw/zinc/39/05/63/1261390563.db2.gz ZVHIAYGYZAFDDK-ZDUSSCGKSA-N 1 0 333.407 2.769 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2cncc(C)c2)cc1C ZINC001485859994 1262433957 /nfs/dbraw/zinc/43/39/57/1262433957.db2.gz WMZGLFYLSPPEMW-MRXNPFEDSA-N 1 0 341.455 2.957 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2ccn(C)c2)cc1C ZINC001485865375 1262439262 /nfs/dbraw/zinc/43/92/62/1262439262.db2.gz CXQIHMQSZRZSJN-HNNXBMFYSA-N 1 0 329.444 2.592 10 10 EFCERO CC[C@@H](C)C[NH2+][C@H](C)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001485961481 1262561245 /nfs/dbraw/zinc/56/12/45/1262561245.db2.gz GGSQNDAVYIRJJE-CHWSQXEVSA-N 1 0 333.436 2.945 10 10 EFCERO C[C@@H]1[C@H]([NH2+]C/C=C/Cl)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001486095621 1262618444 /nfs/dbraw/zinc/61/84/44/1262618444.db2.gz LQCZZWOLXJRQBN-DNRNYBHTSA-N 1 0 349.822 2.794 10 10 EFCERO C[C@H](NC(=O)NCc1c(O)cccc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000921877427 1263062045 /nfs/dbraw/zinc/06/20/45/1263062045.db2.gz FUTPWQAWPLODKT-KBPBESRZSA-N 1 0 349.450 2.984 10 10 EFCERO COc1cc(C[NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)c(O)c(C(C)(C)C)c1 ZINC000922725831 1266665565 /nfs/dbraw/zinc/66/55/65/1266665565.db2.gz NARGULMKKGLLJH-UNEWFSDZSA-N 1 0 335.444 2.592 10 10 EFCERO Cc1ccc(O)c(C[NH2+][C@H](C)c2cccc(NS(C)(=O)=O)c2)c1 ZINC000733325984 1265170140 /nfs/dbraw/zinc/17/01/40/1265170140.db2.gz BTHFIMBVTFHIHI-CYBMUJFWSA-N 1 0 334.441 2.923 10 10 EFCERO CN(CC1CC1)C(=O)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000733609867 1265315139 /nfs/dbraw/zinc/31/51/39/1265315139.db2.gz AOUXZAYLDFHLGH-UHFFFAOYSA-N 1 0 329.488 2.977 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)cc1Cn1cccn1 ZINC000922718171 1266648335 /nfs/dbraw/zinc/64/83/35/1266648335.db2.gz RGYXUIARJNSXGH-UHOSZYNNSA-N 1 0 339.439 2.621 10 10 EFCERO CCN(CC)c1ccc(C[NH2+]CC(C)(C)CS(C)(=O)=O)cc1 ZINC000922737007 1266686360 /nfs/dbraw/zinc/68/63/60/1266686360.db2.gz HQNHELIBESNWIR-UHFFFAOYSA-N 1 0 326.506 2.693 10 10 EFCERO CCO[C@H](C[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)CN(C)C ZINC000922756650 1266742555 /nfs/dbraw/zinc/74/25/55/1266742555.db2.gz RJRXSOKAQNBTFU-MRXNPFEDSA-N 1 0 338.492 2.755 10 10 EFCERO OC[C@]1([NH2+]Cc2ccccc2O)CCCN(Cc2ccccc2)C1 ZINC000734846329 1267129848 /nfs/dbraw/zinc/12/98/48/1267129848.db2.gz QZLPQBITYIHVRR-FQEVSTJZSA-N 1 0 326.440 2.509 10 10 EFCERO Cc1ccc(O)c(C[NH2+][C@@]2(CO)CCCN(Cc3ccccc3)C2)c1 ZINC000734846061 1267129878 /nfs/dbraw/zinc/12/98/78/1267129878.db2.gz OBEMUMFGPGLGFC-NRFANRHFSA-N 1 0 340.467 2.817 10 10 EFCERO CCCc1ncc(CNCc2ccc(N3CC[NH+](C)CC3)cc2)o1 ZINC000825084251 1278408394 /nfs/dbraw/zinc/40/83/94/1278408394.db2.gz CSLMNQKGRXRRLP-UHFFFAOYSA-N 1 0 328.460 2.669 10 10 EFCERO Cc1cc(O)c(C[NH2+][C@H]2CCCN(c3ncccn3)C2)cc1Cl ZINC000825125030 1278419818 /nfs/dbraw/zinc/41/98/18/1278419818.db2.gz DFDKLSWROISCRH-AWEZNQCLSA-N 1 0 332.835 2.903 10 10 EFCERO CCN(CC)c1ccc(C[NH2+]CC(=O)NCc2ccco2)cc1F ZINC000740001246 1268788253 /nfs/dbraw/zinc/78/82/53/1268788253.db2.gz IMNBWHDJNPKKTC-UHFFFAOYSA-N 1 0 333.407 2.671 10 10 EFCERO OCC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cccs1 ZINC000740899868 1269167141 /nfs/dbraw/zinc/16/71/41/1269167141.db2.gz GKGZEFOLSRFAIC-KRWDZBQOSA-N 1 0 332.469 2.798 10 10 EFCERO CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CO[C@@H](C4CC4)C3)cc2F)CC1 ZINC000825234868 1278478855 /nfs/dbraw/zinc/47/88/55/1278478855.db2.gz ZILSQKQYCGIHEZ-YLJYHZDGSA-N 1 0 347.478 2.625 10 10 EFCERO CCOc1cccc(C[NH+]2CCN(c3ccc(OC)cn3)CC2)c1O ZINC000825305829 1278500391 /nfs/dbraw/zinc/50/03/91/1278500391.db2.gz UABUXEPLWZUIAQ-UHFFFAOYSA-N 1 0 343.427 2.517 10 10 EFCERO CCN(CC)c1ccc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)cc1F ZINC000742392852 1270019670 /nfs/dbraw/zinc/01/96/70/1270019670.db2.gz TUQWQBOSYBBDFQ-JOQOYGCGSA-N 1 0 333.451 2.771 10 10 EFCERO Cc1cc(N(C)C)ccc1CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000745826705 1271649873 /nfs/dbraw/zinc/64/98/73/1271649873.db2.gz AAVQRQXSZFOBMT-CRAIPNDOSA-N 1 0 332.492 2.685 10 10 EFCERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000746692972 1275815629 /nfs/dbraw/zinc/81/56/29/1275815629.db2.gz AASOWQYHZQMFGO-MRXNPFEDSA-N 1 0 344.503 2.743 10 10 EFCERO Cc1cc(Br)cc(CN2CCC3(CC[NH2+]3)CC2)c1O ZINC000817865546 1276351880 /nfs/dbraw/zinc/35/18/80/1276351880.db2.gz KVDVHCSREDVBNW-UHFFFAOYSA-N 1 0 325.250 2.791 10 10 EFCERO COC[C@@H](C[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1)C(C)C ZINC000922946406 1276389242 /nfs/dbraw/zinc/38/92/42/1276389242.db2.gz IKKIRQVJLXCIKA-GOSISDBHSA-N 1 0 331.460 2.948 10 10 EFCERO CCOCc1cc(C[NH2+]C[C@@H]2CCN2C2CCOCC2)ccc1OC ZINC000922951420 1276394047 /nfs/dbraw/zinc/39/40/47/1276394047.db2.gz WVUPTPKFXLYIMM-IBGZPJMESA-N 1 0 348.487 2.575 10 10 EFCERO C[C@@H](N[C@H]1C[NH2+]CCC1(F)F)c1cc(Br)ccc1O ZINC000817980026 1276419687 /nfs/dbraw/zinc/41/96/87/1276419687.db2.gz HTGMXVSRJTVJPR-PELKAZGASA-N 1 0 335.192 2.803 10 10 EFCERO C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1ccc(N2CCCCCC2)cc1 ZINC000818362598 1276520267 /nfs/dbraw/zinc/52/02/67/1276520267.db2.gz YBAKHDBKQZUGFI-QAPCUYQASA-N 1 0 343.471 2.865 10 10 EFCERO Cc1ccc(OC[C@H](O)C[NH2+]CCCSc2nccs2)cc1 ZINC000819062721 1276612714 /nfs/dbraw/zinc/61/27/14/1276612714.db2.gz IILYNZOIBROFKR-CQSZACIVSA-N 1 0 338.498 2.963 10 10 EFCERO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001136395080 1277365702 /nfs/dbraw/zinc/36/57/02/1277365702.db2.gz ZFIWWLRCPWJDLI-OLZOCXBDSA-N 1 0 331.420 2.699 10 10 EFCERO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001136395079 1277366045 /nfs/dbraw/zinc/36/60/45/1277366045.db2.gz ZFIWWLRCPWJDLI-CHWSQXEVSA-N 1 0 331.420 2.699 10 10 EFCERO Cc1cc(C[NH+]2CCC(c3nnc4n3CCC4)CC2)ccc1N(C)C ZINC000815034474 1287278771 /nfs/dbraw/zinc/27/87/71/1287278771.db2.gz PRWFXXAYMGJPOI-UHFFFAOYSA-N 1 0 339.487 2.978 10 10 EFCERO O=[S@@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000844743994 1279214083 /nfs/dbraw/zinc/21/40/83/1279214083.db2.gz CHURAPXUXJXDPQ-HDODXQBNSA-N 1 0 331.437 2.722 10 10 EFCERO COc1ccc(O)c([C@@H](C)NC(=O)NCCC[N@H+](C)CC(C)C)c1 ZINC000845308973 1279566369 /nfs/dbraw/zinc/56/63/69/1279566369.db2.gz FOMRSIKIBOAETR-CQSZACIVSA-N 1 0 337.464 2.739 10 10 EFCERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)[C@H]1n1cccn1 ZINC000815167234 1287363185 /nfs/dbraw/zinc/36/31/85/1287363185.db2.gz VNJQEMDRGVBIKF-KBAYOESNSA-N 1 0 332.423 2.597 10 10 EFCERO CC[N@H+](Cc1cccc(OC)c1O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000793603753 1279765914 /nfs/dbraw/zinc/76/59/14/1279765914.db2.gz KTGZFHWPCRFKJS-UHFFFAOYSA-N 1 0 336.432 2.842 10 10 EFCERO Fc1cc(C[N@@H+]2CC[C@]3(C2)CCCOC3)ccc1N1CCOCC1 ZINC000793620405 1279778666 /nfs/dbraw/zinc/77/86/66/1279778666.db2.gz OVMDPVJKUMOOGP-IBGZPJMESA-N 1 0 334.435 2.665 10 10 EFCERO [O-]c1c(Br)cccc1C[NH+]1CCC(C2(O)CC2)CC1 ZINC000846007312 1279973750 /nfs/dbraw/zinc/97/37/50/1279973750.db2.gz FPXBYGUVSGAVNF-UHFFFAOYSA-N 1 0 326.234 2.892 10 10 EFCERO Fc1cc(C[NH2+][C@@H](C2CC2)C2CCOCC2)ccc1N1CCOCC1 ZINC000846042471 1279997640 /nfs/dbraw/zinc/99/76/40/1279997640.db2.gz MGHSVESHXLXTLD-FQEVSTJZSA-N 1 0 348.462 2.957 10 10 EFCERO NC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000846046370 1279999223 /nfs/dbraw/zinc/99/92/23/1279999223.db2.gz GWBFWRITKZMCDZ-KDURUIRLSA-N 1 0 335.451 2.603 10 10 EFCERO CCOc1ccc(C[NH2+][C@@H]2CCCc3c2ccc(=O)n3C)c(O)c1 ZINC000846106000 1280035855 /nfs/dbraw/zinc/03/58/55/1280035855.db2.gz ADDVUDDNBFUVBD-MRXNPFEDSA-N 1 0 328.412 2.657 10 10 EFCERO COc1cccc([C@H](C)[NH2+][C@H]2CCCN(c3cc(C)nn3C)C2)c1O ZINC000846165455 1280044348 /nfs/dbraw/zinc/04/43/48/1280044348.db2.gz MPNBETYTESKDKY-GJZGRUSLSA-N 1 0 344.459 2.762 10 10 EFCERO COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@@H](C)c2cccc(OC)c2O)C1 ZINC000846165149 1280044376 /nfs/dbraw/zinc/04/43/76/1280044376.db2.gz SYAAAXJBTZJIFC-IHRRRGAJSA-N 1 0 336.432 2.918 10 10 EFCERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc(OC)c2O)[C@H]1n1cccn1 ZINC000846169851 1280045865 /nfs/dbraw/zinc/04/58/65/1280045865.db2.gz KQLMOCZXLYYYSI-GUDXXQAFSA-N 1 0 331.416 2.667 10 10 EFCERO CCN(CC)c1ccc(CN(C)C(=O)NCCC2(C[NH3+])CC2)cc1 ZINC000846188263 1280064596 /nfs/dbraw/zinc/06/45/96/1280064596.db2.gz MUKQCSBJDKHFAF-UHFFFAOYSA-N 1 0 332.492 2.803 10 10 EFCERO COc1cc(N(C)Cc2ccc3c(c2)C[NH2+]CC3)cc(OC)c1OC ZINC000846219221 1280072818 /nfs/dbraw/zinc/07/28/18/1280072818.db2.gz LHDVIEZRVRUJFI-UHFFFAOYSA-N 1 0 342.439 2.995 10 10 EFCERO COc1ccc(N2CCC([NH2+]CCC[C@H]3CCOC3=O)CC2)cc1 ZINC000872117864 1287434191 /nfs/dbraw/zinc/43/41/91/1287434191.db2.gz SDXVYUGWBZKFSI-HNNXBMFYSA-N 1 0 332.444 2.597 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2C[C@H](O)C2)c1O ZINC000872127425 1287436637 /nfs/dbraw/zinc/43/66/37/1287436637.db2.gz SPKLPWZTVNKRQF-FXPVBKGRSA-N 1 0 330.222 2.585 10 10 EFCERO CC1CCN(c2ccc(C[NH2+]C[C@@H](O)C[C@@](C)(O)C3CC3)cc2)CC1 ZINC000872200291 1287472974 /nfs/dbraw/zinc/47/29/74/1287472974.db2.gz GBJADLKJPVZTDZ-LEWJYISDSA-N 1 0 346.515 2.925 10 10 EFCERO CC1CCN(c2ccc(C[NH2+]C[C@H](O)C[C@](C)(O)C3CC3)cc2)CC1 ZINC000872200296 1287473518 /nfs/dbraw/zinc/47/35/18/1287473518.db2.gz GBJADLKJPVZTDZ-RTWAWAEBSA-N 1 0 346.515 2.925 10 10 EFCERO OC[C@@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)c1cccnc1 ZINC000808430572 1281725777 /nfs/dbraw/zinc/72/57/77/1281725777.db2.gz HQTKKMKBEBYANB-LJQANCHMSA-N 1 0 325.456 2.938 10 10 EFCERO Cc1cc(C(=O)N2CC[NH2+]CCC2(C)C)c(C)n1-c1ccccn1 ZINC000872297305 1287528595 /nfs/dbraw/zinc/52/85/95/1287528595.db2.gz KYTKDALFGHKBQN-UHFFFAOYSA-N 1 0 326.444 2.703 10 10 EFCERO Cc1cccc(C[N@@H+]2CCC[C@H](CNC(=O)CC(F)(F)F)C2)c1O ZINC000809689943 1282375134 /nfs/dbraw/zinc/37/51/34/1282375134.db2.gz FKWMDPZJSFFBQG-CYBMUJFWSA-N 1 0 344.377 2.981 10 10 EFCERO COC(=O)c1coc(C[NH2+]Cc2cc(Br)ccc2O)c1 ZINC000809713161 1282422612 /nfs/dbraw/zinc/42/26/12/1282422612.db2.gz KHDTZQCKMSPFHP-UHFFFAOYSA-N 1 0 340.173 2.824 10 10 EFCERO CN(C)c1ccc(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)cc1F ZINC000810266236 1283081508 /nfs/dbraw/zinc/08/15/08/1283081508.db2.gz XXANKTPIONUSQT-SFHVURJKSA-N 1 0 339.430 2.720 10 10 EFCERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(OC)ccc2O)[C@H]1n1cccn1 ZINC000815661236 1287658077 /nfs/dbraw/zinc/65/80/77/1287658077.db2.gz XELXNEDSLRYJAO-UOAMXJAYSA-N 1 0 331.416 2.667 10 10 EFCERO CC[N@H+](Cc1c(O)c(C(=O)OC)cc2ccccc21)[C@H]1CCOC1 ZINC000812294917 1285058026 /nfs/dbraw/zinc/05/80/26/1285058026.db2.gz AMJSVEYYNXZAJE-AWEZNQCLSA-N 1 0 329.396 2.943 10 10 EFCERO Cn1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c(C2CC2)n1 ZINC000812777476 1285409965 /nfs/dbraw/zinc/40/99/65/1285409965.db2.gz LUCBNSFNEIKAMI-UHFFFAOYSA-N 1 0 325.460 2.661 10 10 EFCERO CCOc1ccc(O)c(C[NH2+][C@H]2CC(=O)N(c3ccccc3F)C2)c1 ZINC000812782657 1285415667 /nfs/dbraw/zinc/41/56/67/1285415667.db2.gz CDVBRZFEIADKME-AWEZNQCLSA-N 1 0 344.386 2.825 10 10 EFCERO CCO[C@H](CNC(=O)c1ccc(-n2c(C)ccc2C)cc1)C[NH+](C)C ZINC001133571303 1285601463 /nfs/dbraw/zinc/60/14/63/1285601463.db2.gz BSBGFJCFFXHIHX-LJQANCHMSA-N 1 0 343.471 2.791 10 10 EFCERO CCOc1ccc(C[N@@H+]2CCCC[C@H]2CCS(C)(=O)=O)c(O)c1 ZINC000814171509 1286353003 /nfs/dbraw/zinc/35/30/03/1286353003.db2.gz RFVKHWXJXAFJRJ-HNNXBMFYSA-N 1 0 341.473 2.580 10 10 EFCERO CCOc1ccc(C[N@@H+]2CCCC[C@@H]2CCS(C)(=O)=O)c(O)c1 ZINC000814171510 1286353054 /nfs/dbraw/zinc/35/30/54/1286353054.db2.gz RFVKHWXJXAFJRJ-OAHLLOKOSA-N 1 0 341.473 2.580 10 10 EFCERO CN(C)c1ccc(CN2CC[C@@H]3C[N@H+](C)C[C@@H]32)c(C(F)(F)F)c1 ZINC000814172819 1286354142 /nfs/dbraw/zinc/35/41/42/1286354142.db2.gz AOJONCMRSZLLBW-CJNGLKHVSA-N 1 0 327.394 2.907 10 10 EFCERO CN(Cc1ccc(N2CCCC2)cc1)C(=O)CC1CC[NH+](C)CC1 ZINC001135800743 1288391887 /nfs/dbraw/zinc/39/18/87/1288391887.db2.gz OJRBZXNWEOKYJH-UHFFFAOYSA-N 1 0 329.488 2.977 10 10 EFCERO C[NH+](C)CC[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(C)(C)C ZINC001136757561 1289399691 /nfs/dbraw/zinc/39/96/91/1289399691.db2.gz SKFBPJBIJVJEGT-CQSZACIVSA-N 1 0 333.436 2.945 10 10 EFCERO O=C1OCCN1C[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000824450965 1289654528 /nfs/dbraw/zinc/65/45/28/1289654528.db2.gz FKUDWVZKAWZPRL-GOSISDBHSA-N 1 0 343.471 2.951 10 10 EFCERO COc1cc(Br)cc(C[NH2+]CC2=CCOCC2)c1O ZINC000824597864 1289718683 /nfs/dbraw/zinc/71/86/83/1289718683.db2.gz YJEDXTVTVPZUJZ-UHFFFAOYSA-N 1 0 328.206 2.600 10 10 EFCERO CC[C@@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)[C@H](O)C(F)F ZINC000824637567 1289733283 /nfs/dbraw/zinc/73/32/83/1289733283.db2.gz YHSDWTNQZJRYFF-CVEARBPZSA-N 1 0 328.403 2.658 10 10 EFCERO CC[C@@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)[C@@H](O)C(F)F ZINC000824637569 1289733425 /nfs/dbraw/zinc/73/34/25/1289733425.db2.gz YHSDWTNQZJRYFF-HZPDHXFCSA-N 1 0 328.403 2.658 10 10 EFCERO CCOc1ccc(O)c(C[NH2+][C@@H](CC(=O)NC)c2ccccc2)c1 ZINC000795608167 1290653548 /nfs/dbraw/zinc/65/35/48/1290653548.db2.gz XAANYYULKRYPOQ-KRWDZBQOSA-N 1 0 328.412 2.758 10 10 EFCERO COc1ccc(N2CCC([NH2+]Cc3cc(OC)cnc3F)CC2)cc1 ZINC000876998615 1291101361 /nfs/dbraw/zinc/10/13/61/1291101361.db2.gz KKFGARGSYMGGOV-UHFFFAOYSA-N 1 0 345.418 2.997 10 10 EFCERO Cc1cc(O)c(C[N@@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)cc1Cl ZINC000826043020 1291686697 /nfs/dbraw/zinc/68/66/97/1291686697.db2.gz CSVYNJBWZGSLMR-XNRPHZJLSA-N 1 0 325.836 2.716 10 10 EFCERO COc1cc(C[N@H+](CCO)[C@@H]2CCO[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000826096855 1291984108 /nfs/dbraw/zinc/98/41/08/1291984108.db2.gz GAJBBHLISFLWBW-SUMWQHHRSA-N 1 0 337.460 2.670 10 10 EFCERO CCOc1cccc(C[NH2+][C@@H](C)[C@H]2CCCN(C(=O)OC)C2)c1O ZINC000775344923 1291985557 /nfs/dbraw/zinc/98/55/57/1291985557.db2.gz BAZXLZIUOKRKND-ZFWWWQNUSA-N 1 0 336.432 2.747 10 10 EFCERO Cc1cc(CC[NH2+][C@H](C)CS(C)(=O)=O)c(C)n1-c1ccccc1 ZINC000775364310 1292054674 /nfs/dbraw/zinc/05/46/74/1292054674.db2.gz MIJRNRHLIKUZCI-CQSZACIVSA-N 1 0 334.485 2.659 10 10 EFCERO COC[C@@](C)(CO)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796318140 1292907181 /nfs/dbraw/zinc/90/71/81/1292907181.db2.gz WULBLOSEGRYATL-OAQYLSRUSA-N 1 0 340.467 2.736 10 10 EFCERO C[C@H](CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C(F)(F)F ZINC000881854948 1293032618 /nfs/dbraw/zinc/03/26/18/1293032618.db2.gz MKXTXCGQVYZKDU-CYBMUJFWSA-N 1 0 343.393 2.643 10 10 EFCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCCOCC2)cc1C ZINC001273991184 1294059149 /nfs/dbraw/zinc/05/91/49/1294059149.db2.gz ORLOJKYDLXKAIW-DDKKJVIOSA-N 1 0 346.471 2.582 10 10 EFCERO COC(=O)CC[N@@H+](Cc1cc(Cl)cc(C)c1O)C[C@@H]1CCCO1 ZINC000775703740 1294173656 /nfs/dbraw/zinc/17/36/56/1294173656.db2.gz WOOFYSFNQDGIJA-HNNXBMFYSA-N 1 0 341.835 2.898 10 10 EFCERO Cc1cc(Cl)cc(CN2CC[NH+](CCOC(C)C)CC2)c1O ZINC000775712159 1294210345 /nfs/dbraw/zinc/21/03/45/1294210345.db2.gz DRSPBPWDMGYGFK-UHFFFAOYSA-N 1 0 326.868 2.897 10 10 EFCERO COc1cccc(C[NH2+]CC[C@H]2CCC3(CCOCC3)CO2)c1O ZINC000886300927 1294832701 /nfs/dbraw/zinc/83/27/01/1294832701.db2.gz RZCLAYKNLKPZRR-MRXNPFEDSA-N 1 0 335.444 2.856 10 10 EFCERO CC1(C)CO[C@H](CC[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000886307423 1294837136 /nfs/dbraw/zinc/83/71/36/1294837136.db2.gz RUOSNQAEHRQUKQ-MRXNPFEDSA-N 1 0 336.451 2.957 10 10 EFCERO c1cc(N2CCOCC2)ccc1C[NH2+]C[C@@H]1CCC2(CCC2)CO1 ZINC000886319331 1294849937 /nfs/dbraw/zinc/84/99/37/1294849937.db2.gz BJUKDJQFDPLHGC-IBGZPJMESA-N 1 0 330.472 2.962 10 10 EFCERO COC[C@@H]([NH2+]Cc1cc(Br)ccc1O)[C@@H]1CCCOC1 ZINC000886359413 1294887479 /nfs/dbraw/zinc/88/74/79/1294887479.db2.gz BRJBFBRIENFLTK-BXUZGUMPSA-N 1 0 344.249 2.686 10 10 EFCERO Cc1cc(O)c(C[NH2+]C[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000826533912 1295271628 /nfs/dbraw/zinc/27/16/28/1295271628.db2.gz BDCFFZVIYSZABG-MELADBBJSA-N 1 0 326.868 2.941 10 10 EFCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCC[C@H]2OC)cc1C ZINC001274141512 1295501905 /nfs/dbraw/zinc/50/19/05/1295501905.db2.gz IMBYYACZCVMODF-MSIWKICXSA-N 1 0 346.471 2.581 10 10 EFCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)[C@]23C[C@H]2CCC3)cc1C ZINC001274222974 1295593774 /nfs/dbraw/zinc/59/37/74/1295593774.db2.gz YPQHBZQWOFTSRN-OQRUQETBSA-N 1 0 328.456 2.956 10 10 EFCERO Cc1cc(C(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)c(C)n1-c1ccccn1 ZINC000887936572 1295628717 /nfs/dbraw/zinc/62/87/17/1295628717.db2.gz OLIHDBDYKYDIAZ-UZLBHIALSA-N 1 0 338.455 2.513 10 10 EFCERO COc1ccc(C[NH+]2CCN(CCOc3ccccc3)CC2)c(O)c1 ZINC000162867393 1313181539 /nfs/dbraw/zinc/18/15/39/1313181539.db2.gz QTUUAKIPMRJMRA-UHFFFAOYSA-N 1 0 342.439 2.597 10 10 EFCERO CCn1ccnc1C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001275396491 1296268336 /nfs/dbraw/zinc/26/83/36/1296268336.db2.gz YMKKPROAUCUXCG-GJZGRUSLSA-N 1 0 344.459 2.517 10 10 EFCERO COC(=O)/C=C\c1ccc(N2CC[NH+](CC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000931323357 1297327453 /nfs/dbraw/zinc/32/74/53/1297327453.db2.gz QXUIIRMSTGJNAN-ALCCZGGFSA-N 1 0 347.415 2.559 10 10 EFCERO COc1ccc(C(=O)N(C)C[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)o1 ZINC001277968356 1313395725 /nfs/dbraw/zinc/39/57/25/1313395725.db2.gz GXGNPCNJNATFFL-CQSZACIVSA-N 1 0 346.427 2.856 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)Cc3ccc[nH]3)C2)cc1C ZINC001488797315 1297789763 /nfs/dbraw/zinc/78/97/63/1297789763.db2.gz AUYZTPKARGAEPR-MAEOIBBWSA-N 1 0 341.455 2.559 10 10 EFCERO CN(C)c1ccc(/C=C/CN2CCc3sc(C[NH3+])nc3C2)cc1 ZINC000903943944 1313460381 /nfs/dbraw/zinc/46/03/81/1313460381.db2.gz DIYRQRRGQPPOLI-ONEGZZNKSA-N 1 0 328.485 2.739 10 10 EFCERO CCOCc1cc(CNC[C@@H]2C[NH2+]CCC2(F)F)ccc1OC ZINC000903955618 1313483129 /nfs/dbraw/zinc/48/31/29/1313483129.db2.gz XRPBQXPKPSBNBE-HNNXBMFYSA-N 1 0 328.403 2.566 10 10 EFCERO CN(C)c1ccc(/C=C/CN[C@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000903970523 1313515845 /nfs/dbraw/zinc/51/58/45/1313515845.db2.gz YMJQCEZVBVZYLQ-OAJJDEHYSA-N 1 0 329.488 2.514 10 10 EFCERO COc1cc(Cl)cc(CN2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)c1O ZINC000903983758 1313536271 /nfs/dbraw/zinc/53/62/71/1313536271.db2.gz LJLMDBIMEYMEJQ-QWRGUYRKSA-N 1 0 338.757 2.766 10 10 EFCERO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000852413189 1299693684 /nfs/dbraw/zinc/69/36/84/1299693684.db2.gz PZVKGTDFVVLBRP-CHWSQXEVSA-N 1 0 335.448 2.634 10 10 EFCERO FC(F)(F)Oc1ccc2c(c1)CCCN2C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000852745438 1299855946 /nfs/dbraw/zinc/85/59/46/1299855946.db2.gz VEHOFBBLOQMPIT-AWEZNQCLSA-N 1 0 342.361 2.859 10 10 EFCERO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC3CC2(c2ccccc2)C3)cc1 ZINC000852761911 1299873159 /nfs/dbraw/zinc/87/31/59/1299873159.db2.gz VGNXQOQEBGWPDH-UHFFFAOYSA-N 1 0 349.478 2.990 10 10 EFCERO CN1CCCc2cc(CNC(=O)C[C@@H]3[NH2+]Cc4ccccc43)ccc21 ZINC000852798789 1299893258 /nfs/dbraw/zinc/89/32/58/1299893258.db2.gz NYJAMLKSNGPZLU-IBGZPJMESA-N 1 0 335.451 2.920 10 10 EFCERO Cc1cc(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c(C)n1-c1ccccc1C ZINC000852870833 1299922949 /nfs/dbraw/zinc/92/29/49/1299922949.db2.gz YPGCBZKRKXTITJ-IAGOWNOFSA-N 1 0 329.419 2.914 10 10 EFCERO Cc1cc(CC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c(C)n1-c1ccccc1 ZINC000853302851 1300078787 /nfs/dbraw/zinc/07/87/87/1300078787.db2.gz KDWMQGXISUJPIK-PKOBYXMFSA-N 1 0 337.467 2.705 10 10 EFCERO COc1ccc(N2CC[C@@H](Nc3nc(N)[nH+]c4c3CCCC4)C2)cc1 ZINC000853759810 1300261742 /nfs/dbraw/zinc/26/17/42/1300261742.db2.gz APFMBNRPSZVWCT-CYBMUJFWSA-N 1 0 339.443 2.637 10 10 EFCERO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1cc(Cl)c(C)cc1O ZINC000825549985 1300468064 /nfs/dbraw/zinc/46/80/64/1300468064.db2.gz VHCUKFJGKVWQDR-ZIAGYGMSSA-N 1 0 341.835 2.897 10 10 EFCERO CC[C@@H](C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)[NH+](CC)CC ZINC000855229544 1300850506 /nfs/dbraw/zinc/85/05/06/1300850506.db2.gz AFUBSKLPSKWCGM-YJBOKZPZSA-N 1 0 333.476 2.511 10 10 EFCERO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000861660656 1302184884 /nfs/dbraw/zinc/18/48/84/1302184884.db2.gz GNWODDSLQJKAQZ-SFHVURJKSA-N 1 0 344.503 2.957 10 10 EFCERO CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000861660158 1302185635 /nfs/dbraw/zinc/18/56/35/1302185635.db2.gz GIYIREOLAFMWSW-QGZVFWFLSA-N 1 0 331.460 2.989 10 10 EFCERO CN(C)c1ccc(CN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)C2CC2)cc1 ZINC000861662664 1302187096 /nfs/dbraw/zinc/18/70/96/1302187096.db2.gz ZEPOPYUSRHIMFX-GOSISDBHSA-N 1 0 342.487 2.711 10 10 EFCERO CC[C@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1ccc(C)cc1O ZINC000794819217 1303182287 /nfs/dbraw/zinc/18/22/87/1303182287.db2.gz YLYSFAJGUCTEQU-INIZCTEOSA-N 1 0 325.474 2.956 10 10 EFCERO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cn(C4CC4)cn3)C2)cc1 ZINC000865609524 1303331902 /nfs/dbraw/zinc/33/19/02/1303331902.db2.gz WSMHTXPZNLZEAL-HNNXBMFYSA-N 1 0 326.444 2.843 10 10 EFCERO c1cc(N2CCOCC2)ccc1C[NH2+][C@H](C1CCC1)[C@@H]1CCOC1 ZINC000865761812 1303389912 /nfs/dbraw/zinc/38/99/12/1303389912.db2.gz REPVDLSYDXDTLM-UYAOXDASSA-N 1 0 330.472 2.818 10 10 EFCERO COc1cc(Br)cc(C[NH2+][C@]23CCC[C@H]2OCC3)c1O ZINC000865858247 1303429685 /nfs/dbraw/zinc/42/96/85/1303429685.db2.gz AQNOIRQAVGNSSR-HIFRSBDPSA-N 1 0 342.233 2.965 10 10 EFCERO COc1ccc(N2CC[C@@H]([NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)C2)cc1 ZINC000866384348 1303620247 /nfs/dbraw/zinc/62/02/47/1303620247.db2.gz AELIZRLBOXVMEP-FDPIWHGQSA-N 1 0 328.456 2.821 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2C[C@@H](CO)C2)c1O ZINC000866416310 1303631348 /nfs/dbraw/zinc/63/13/48/1303631348.db2.gz RZQHUBSZGALSJL-KKZNHRDASA-N 1 0 330.222 2.585 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2C[C@@H](CO)C2)c1O ZINC000866416309 1303631752 /nfs/dbraw/zinc/63/17/52/1303631752.db2.gz RZQHUBSZGALSJL-ATZCPNFKSA-N 1 0 330.222 2.585 10 10 EFCERO CC[C@H]([NH2+]Cc1nc2c(c(=O)[nH]1)COCC2)c1cccc(Cl)c1[O-] ZINC000866629406 1303718832 /nfs/dbraw/zinc/71/88/32/1303718832.db2.gz OCGKWGSQMMBORD-ZDUSSCGKSA-N 1 0 349.818 2.855 10 10 EFCERO CC[C@@H]([NH2+]Cc1nc2c(c(=O)[nH]1)COCC2)c1cc(Cl)ccc1O ZINC000866629939 1303721131 /nfs/dbraw/zinc/72/11/31/1303721131.db2.gz UDWFGXXYMALDKS-CYBMUJFWSA-N 1 0 349.818 2.855 10 10 EFCERO CCOC(=O)c1ncc(CN2CCCc3cc(C[NH3+])ccc32)s1 ZINC000866659624 1303736384 /nfs/dbraw/zinc/73/63/84/1303736384.db2.gz PNHYPQNYMBVASJ-UHFFFAOYSA-N 1 0 331.441 2.731 10 10 EFCERO C[N@@H+]1CCCC12CCN(Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000930172048 1304279289 /nfs/dbraw/zinc/27/92/89/1304279289.db2.gz ZAJQZGMSLFHMBB-UHFFFAOYSA-N 1 0 329.488 2.583 10 10 EFCERO C[C@H](NC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1)c1ccc(N(C)C)cc1 ZINC000868515381 1304334992 /nfs/dbraw/zinc/33/49/92/1304334992.db2.gz LJPCYPZWQMZGJS-LESCRADOSA-N 1 0 330.476 2.549 10 10 EFCERO CCC1([NH+]2CCCC2)CCN(C(=O)c2ccc(C)c(O)c2O)CC1 ZINC000870271661 1305235158 /nfs/dbraw/zinc/23/51/58/1305235158.db2.gz ZOAFMQBTGWUIKQ-UHFFFAOYSA-N 1 0 332.444 2.887 10 10 EFCERO COCCCC(=O)N1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@H]1C ZINC001278348185 1314211857 /nfs/dbraw/zinc/21/18/57/1314211857.db2.gz WAKAWEVIGZWIKT-NVXWUHKLSA-N 1 0 334.460 2.509 10 10 EFCERO COc1ccc(N2CC[NH+](CCNc3cccc(Cl)n3)CC2)cc1 ZINC000800847674 1308542893 /nfs/dbraw/zinc/54/28/93/1308542893.db2.gz AZQIEEMPUGHMQO-UHFFFAOYSA-N 1 0 346.862 2.978 10 10 EFCERO COc1ccc(N2CCN(CC[NH2+][C@@H]3CC[C@H]3C3CCC3)CC2)cc1 ZINC000800969615 1308762680 /nfs/dbraw/zinc/76/26/80/1308762680.db2.gz SKYRKSUNFZJXLX-LEWJYISDSA-N 1 0 343.515 2.986 10 10 EFCERO O=C(N(Cc1ccco1)Cc1ccccc1O)C12CC[NH+](CC1)C2 ZINC000901054154 1309307629 /nfs/dbraw/zinc/30/76/29/1309307629.db2.gz BUOQMRWNZWQOCK-UHFFFAOYSA-N 1 0 326.396 2.610 10 10 EFCERO COc1ccc(O)c(CNC(=O)c2ccc(NC3=[NH+]CCC3)cc2)c1 ZINC000901134484 1309572036 /nfs/dbraw/zinc/57/20/36/1309572036.db2.gz YVTOJGOVKLQGKN-UHFFFAOYSA-N 1 0 339.395 2.935 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@]3(C)CCCOC3)CC2)cc1C ZINC001277208814 1311806119 /nfs/dbraw/zinc/80/61/19/1311806119.db2.gz ILYJMHZUNAETML-LJQANCHMSA-N 1 0 346.471 2.559 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@@]3(C)CCCOC3)CC2)cc1C ZINC001277208813 1311806281 /nfs/dbraw/zinc/80/62/81/1311806281.db2.gz ILYJMHZUNAETML-IBGZPJMESA-N 1 0 346.471 2.559 10 10 EFCERO C[C@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)c1ccc(Br)cc1O ZINC000903216274 1312470589 /nfs/dbraw/zinc/47/05/89/1312470589.db2.gz XVGLKAWBRMWCNF-WDEREUQCSA-N 1 0 341.249 2.674 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCN(C)[C@@H]2C)c1O ZINC000903300143 1312549946 /nfs/dbraw/zinc/54/99/46/1312549946.db2.gz HDKYLPKSMGTRCT-CWSCBRNRSA-N 1 0 343.265 2.907 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCN2C)c1O ZINC000903317460 1312564934 /nfs/dbraw/zinc/56/49/34/1312564934.db2.gz TYODKBHZAAXIGJ-ONGXEEELSA-N 1 0 329.238 2.518 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2COC[C@@H]2C)c1O ZINC000903393659 1312628118 /nfs/dbraw/zinc/62/81/18/1312628118.db2.gz QZQFRNFJTQDEAW-HOTUBEGUSA-N 1 0 330.222 2.849 10 10 EFCERO C[C@@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)C1(C)CC1 ZINC001251400362 1315346254 /nfs/dbraw/zinc/34/62/54/1315346254.db2.gz HUIAOSUQXQDXCM-PBHICJAKSA-N 1 0 332.492 2.843 10 10 EFCERO COc1ccc(N2CC[NH+](CCCNC(=O)/C=C/C(C)C)CC2)cc1 ZINC000193931075 1315426842 /nfs/dbraw/zinc/42/68/42/1315426842.db2.gz AZRFIHUAHNUUNX-BJMVGYQFSA-N 1 0 345.487 2.536 10 10 EFCERO COC1CCN(c2ccc(CN(C)CC(=O)NC(C)(C)C)cc2)CC1 ZINC000827372944 1315979207 /nfs/dbraw/zinc/97/92/07/1315979207.db2.gz FNNVJCLFVRRJRI-UHFFFAOYSA-N 1 0 347.503 2.648 10 10 EFCERO Cc1cc(Cl)cc(C[N@H+]2CC[C@H](N(C)C(=O)N(C)C)C2)c1O ZINC000827544797 1315997962 /nfs/dbraw/zinc/99/79/62/1315997962.db2.gz KXDWZZBAPPIOLZ-AWEZNQCLSA-N 1 0 325.840 2.542 10 10 EFCERO COc1ccc(O)c(C[NH2+][C@@H](c2ccncc2)C2(CO)CCC2)c1 ZINC000827941037 1316036016 /nfs/dbraw/zinc/03/60/16/1316036016.db2.gz BFTCPHMVGBHSSS-SFHVURJKSA-N 1 0 328.412 2.789 10 10 EFCERO COCCCC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001279069450 1316113565 /nfs/dbraw/zinc/11/35/65/1316113565.db2.gz OLLRSCCDPCWUAH-FUHWJXTLSA-N 1 0 348.487 2.614 10 10 EFCERO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]Cc2ccc(O)cc2O)CC1 ZINC000382731308 1316556655 /nfs/dbraw/zinc/55/66/55/1316556655.db2.gz GZASXVCALHEBJN-AWEZNQCLSA-N 1 0 336.432 2.977 10 10 EFCERO COCC(C)(C)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001264427532 1316615867 /nfs/dbraw/zinc/61/58/67/1316615867.db2.gz WDCNXWJBZCIXDQ-QAQDUYKDSA-N 1 0 348.487 2.661 10 10 EFCERO COc1ccc(C[NH2+][C@H](CNC(=O)c2cscn2)C2CC2)cc1C ZINC001265347221 1316786856 /nfs/dbraw/zinc/78/68/56/1316786856.db2.gz AXZQQFGTKQFJHA-OAHLLOKOSA-N 1 0 345.468 2.758 10 10 EFCERO CCCOCC(=O)NC1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001265731652 1316868121 /nfs/dbraw/zinc/86/81/21/1316868121.db2.gz VXNXASQGNJVKLO-UHFFFAOYSA-N 1 0 348.487 2.947 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2cccnc2C)cc1C ZINC001265816373 1316882687 /nfs/dbraw/zinc/88/26/87/1316882687.db2.gz UISITDHEZLSBRJ-AWEZNQCLSA-N 1 0 327.428 2.615 10 10 EFCERO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CCOCC(C)C)C2)cc1C ZINC001265888575 1316903763 /nfs/dbraw/zinc/90/37/63/1316903763.db2.gz SKIKLYJRZAHVNW-SFHVURJKSA-N 1 0 348.487 2.757 10 10 EFCERO CC(C)CC[NH2+]C[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001266039838 1316968421 /nfs/dbraw/zinc/96/84/21/1316968421.db2.gz BQLHZFLOQLQSJM-AWEZNQCLSA-N 1 0 345.447 2.947 10 10 EFCERO C[C@@H](F)CC[NH2+]C[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001266039810 1316968668 /nfs/dbraw/zinc/96/86/68/1316968668.db2.gz BFFJRCSVRPKKGC-CHWSQXEVSA-N 1 0 349.410 2.649 10 10 EFCERO CCOCCC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001266052146 1316978159 /nfs/dbraw/zinc/97/81/59/1316978159.db2.gz PUUUIBXUULAOPO-MSOLQXFVSA-N 1 0 348.487 2.947 10 10 EFCERO CC[N@H+](CCCNC(=O)c1ccc(N=NC(N)=O)cc1)CC(C)C ZINC001266115265 1317057330 /nfs/dbraw/zinc/05/73/30/1317057330.db2.gz YLODTWRWVQUHRB-UHFFFAOYSA-N 1 0 333.436 2.947 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@H]2CCCCO2)cc1C ZINC001266136605 1317085930 /nfs/dbraw/zinc/08/59/30/1317085930.db2.gz FRFWZONXBZPXGC-CRAIPNDOSA-N 1 0 334.460 2.557 10 10 EFCERO CC[C@H](OC)C(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001279992109 1317431014 /nfs/dbraw/zinc/43/10/14/1317431014.db2.gz WUEDTDWYATXWIV-AEFFLSMTSA-N 1 0 348.487 2.757 10 10 EFCERO COc1ccc(C[NH2+]CC[C@@H]2CCN(C(=O)c3cc[nH]c3)C2)cc1C ZINC001280050115 1317442211 /nfs/dbraw/zinc/44/22/11/1317442211.db2.gz BHSZNVYUDATQMZ-MRXNPFEDSA-N 1 0 341.455 2.974 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@H]3C[C@@H](C)CO3)CCC2)cc1C ZINC001280493423 1317588042 /nfs/dbraw/zinc/58/80/42/1317588042.db2.gz KYMJQCQXKUWQAE-RDTXWAMCSA-N 1 0 346.471 2.557 10 10 EFCERO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)CCCC(C)=O)cc1C ZINC001319049816 1328770405 /nfs/dbraw/zinc/77/04/05/1328770405.db2.gz ZKCLHDWBFPAQAD-GOSISDBHSA-N 1 0 346.471 2.844 10 10 EFCERO COC[C@@H](C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001319122345 1328783116 /nfs/dbraw/zinc/78/31/16/1328783116.db2.gz CHFLJROUATWRHT-MAUKXSAKSA-N 1 0 348.487 2.757 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2cc(C)no2)cc1C ZINC001282095546 1318723956 /nfs/dbraw/zinc/72/39/56/1318723956.db2.gz LVPXPPJNIREZIT-KGLIPLIRSA-N 1 0 331.416 2.597 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2cc(C)no2)cc1C ZINC001282095547 1318724544 /nfs/dbraw/zinc/72/45/44/1318724544.db2.gz LVPXPPJNIREZIT-UONOGXRCSA-N 1 0 331.416 2.597 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)Cc2ccoc2)cc1C ZINC001319177563 1328796759 /nfs/dbraw/zinc/79/67/59/1328796759.db2.gz BBQTUNNMGIFGSS-CQSZACIVSA-N 1 0 330.428 2.681 10 10 EFCERO C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[N@H+](C)CC1CCC1 ZINC001282503649 1318975371 /nfs/dbraw/zinc/97/53/71/1318975371.db2.gz CPABWULPZOAQCM-GFCCVEGCSA-N 1 0 331.420 2.699 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2ccn(C)c2C)cc1C ZINC001319238236 1328816780 /nfs/dbraw/zinc/81/67/80/1328816780.db2.gz RMTNRCRJEZBWFJ-AWEZNQCLSA-N 1 0 343.471 2.806 10 10 EFCERO CCn1cccc1C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001319281995 1328830244 /nfs/dbraw/zinc/83/02/44/1328830244.db2.gz MUHKRUAMRJKYAX-HNNXBMFYSA-N 1 0 343.471 2.981 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)CCc2ccon2)cc1C ZINC001283642125 1319919888 /nfs/dbraw/zinc/91/98/88/1319919888.db2.gz LVLBBNXSVMSJTC-OAHLLOKOSA-N 1 0 345.443 2.561 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2ccnc(F)c2)cc1C ZINC001319431705 1328883295 /nfs/dbraw/zinc/88/32/95/1328883295.db2.gz VVQJIRCRSLXTIK-CQSZACIVSA-N 1 0 345.418 2.788 10 10 EFCERO CCc1nc(C(=O)N(C)[C@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)co1 ZINC001319448079 1328888963 /nfs/dbraw/zinc/88/89/63/1328888963.db2.gz IARGGUKOBMRARK-CQSZACIVSA-N 1 0 345.443 2.804 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](NC(=O)c2cnco2)C(C)(C)C)cc1C ZINC001284614429 1320440224 /nfs/dbraw/zinc/44/02/24/1320440224.db2.gz QTBDWAOQMKXTRL-KRWDZBQOSA-N 1 0 345.443 2.926 10 10 EFCERO CC[C@@H]1OCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001319503595 1328904161 /nfs/dbraw/zinc/90/41/61/1328904161.db2.gz VMBZIMKRIWHFPO-NXHRZFHOSA-N 1 0 348.487 2.755 10 10 EFCERO CC(C)Cc1nnc(N(C)Cc2ccccc2O)n1C[C@H](C)[NH+](C)C ZINC001287365663 1321459649 /nfs/dbraw/zinc/45/96/49/1321459649.db2.gz SHZNGBDJFROGRC-HNNXBMFYSA-N 1 0 345.491 2.769 10 10 EFCERO CCc1ccc([C@H](CNC(=O)Cc2ccc(O)c(O)c2)[NH+](C)C)cc1 ZINC001290311273 1321897535 /nfs/dbraw/zinc/89/75/35/1321897535.db2.gz VITVCVDRDFDJIB-KRWDZBQOSA-N 1 0 342.439 2.622 10 10 EFCERO C[C@@H](CCNC(=O)c1ccc(N=NC(N)=O)cc1)[NH+]1CCCCC1 ZINC001296275507 1322877505 /nfs/dbraw/zinc/87/75/05/1322877505.db2.gz XIEHKVKUWJCQPA-ZDUSSCGKSA-N 1 0 331.420 2.843 10 10 EFCERO C[C@H](F)CC[N@H+](C)CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001320091752 1329074379 /nfs/dbraw/zinc/07/43/79/1329074379.db2.gz ZQPLEWDQJWCPEU-LBPRGKRZSA-N 1 0 337.399 2.601 10 10 EFCERO C[C@@H](F)CC[N@H+](C)CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001320091751 1329074409 /nfs/dbraw/zinc/07/44/09/1329074409.db2.gz ZQPLEWDQJWCPEU-GFCCVEGCSA-N 1 0 337.399 2.601 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2C[C@H]2c2ccco2)cc1C ZINC001491586078 1323725404 /nfs/dbraw/zinc/72/54/04/1323725404.db2.gz VESCJAGUVCOVKK-DJIMGWMZSA-N 1 0 342.439 2.995 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2ccncc2Cl)cc1C ZINC001491588722 1323728556 /nfs/dbraw/zinc/72/85/56/1323728556.db2.gz CYWWQIIXXOGGHQ-CYBMUJFWSA-N 1 0 347.846 2.960 10 10 EFCERO COc1ccc(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)o1 ZINC001491617185 1323750497 /nfs/dbraw/zinc/75/04/97/1323750497.db2.gz DTAMFVBQKBSWGJ-CYBMUJFWSA-N 1 0 332.400 2.513 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)cc1C ZINC001491692700 1323795610 /nfs/dbraw/zinc/79/56/10/1323795610.db2.gz MWFPOJADGQSLMX-VKBWYVHWSA-N 1 0 342.483 2.890 10 10 EFCERO COC(=O)/C=C\c1ccc(N2CCC[C@@H]([NH2+]C(C)C)C2)c([N+](=O)[O-])c1 ZINC000749391220 1324657705 /nfs/dbraw/zinc/65/77/05/1324657705.db2.gz BUTSZYFJEQYEDZ-SOIVGHGOSA-N 1 0 347.415 2.748 10 10 EFCERO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](C(=O)N(C)C)C2)c1O ZINC001308108908 1324794630 /nfs/dbraw/zinc/79/46/30/1324794630.db2.gz OYCUGOGLBPZQTD-GFCCVEGCSA-N 1 0 338.835 2.548 10 10 EFCERO CC[N@H+](Cc1cc(Br)ccc1O)C[C@]1(O)CCCOC1 ZINC000851792640 1324830294 /nfs/dbraw/zinc/83/02/94/1324830294.db2.gz NPFUFZHSHLRXNR-OAHLLOKOSA-N 1 0 344.249 2.518 10 10 EFCERO CC[N@@H+]1CCN(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)[C@H](C)C1 ZINC001312885040 1324998045 /nfs/dbraw/zinc/99/80/45/1324998045.db2.gz OAJINIVQNGVOIT-DLBZAZTESA-N 1 0 346.519 2.728 10 10 EFCERO COc1ccc(C[NH2+][C@H](CNC(=O)[C@@H]2CC2(F)F)C2CC2)cc1C ZINC001317012279 1325481069 /nfs/dbraw/zinc/48/10/69/1325481069.db2.gz IEZYIMSXLMYXIU-LSDHHAIUSA-N 1 0 338.398 2.643 10 10 EFCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)c2cncc(F)c2)cc1C ZINC001321023945 1329332670 /nfs/dbraw/zinc/33/26/70/1329332670.db2.gz KCRKFIWUSYGGMV-ARJAWSKDSA-N 1 0 343.402 2.614 10 10 EFCERO COc1ccsc1C(=O)NC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001317281316 1327818111 /nfs/dbraw/zinc/81/81/11/1327818111.db2.gz WHGNITFBHFHYGB-ZDUSSCGKSA-N 1 0 348.468 2.982 10 10 EFCERO CCC(CC)C[NH2+][C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001317289562 1327824612 /nfs/dbraw/zinc/82/46/12/1327824612.db2.gz NWIOPJROXDTMNI-GFCCVEGCSA-N 1 0 333.436 2.993 10 10 EFCERO CCCCO[C@H](C)C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001317298286 1327830536 /nfs/dbraw/zinc/83/05/36/1327830536.db2.gz ILSOUTOIQBGJPM-AEFFLSMTSA-N 1 0 348.487 2.899 10 10 EFCERO CC[C@@H](F)C[NH2+]C[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001317352734 1327884285 /nfs/dbraw/zinc/88/42/85/1327884285.db2.gz DFTLOXDIBBZHPG-TZMCWYRMSA-N 1 0 349.410 2.649 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2c[nH]cc2C)cc1C ZINC001317414023 1327963036 /nfs/dbraw/zinc/96/30/36/1327963036.db2.gz KHQOKOAVAJOIOP-OAHLLOKOSA-N 1 0 329.444 2.938 10 10 EFCERO CC[C@@H](C)C[NH2+][C@@H](C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001317416975 1327966870 /nfs/dbraw/zinc/96/68/70/1327966870.db2.gz DPOKXNUQJVVURU-OLZOCXBDSA-N 1 0 333.436 2.993 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3CC34CCC4)CC2)cc1C ZINC001323556185 1329551381 /nfs/dbraw/zinc/55/13/81/1329551381.db2.gz UPDJWRMPQCWBMB-INIZCTEOSA-N 1 0 328.456 2.932 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)c3cscn3)CCC2)cc1C ZINC001326797251 1330365339 /nfs/dbraw/zinc/36/53/39/1330365339.db2.gz APQOQXLHQRVEMJ-UHFFFAOYSA-N 1 0 345.468 2.902 10 10 EFCERO C[C@@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)c1ccccn1 ZINC001328059374 1330547239 /nfs/dbraw/zinc/54/72/39/1330547239.db2.gz DCJSIQNTYJDWQK-INIZCTEOSA-N 1 0 342.462 2.866 10 10 EFCERO CN1CCN(c2ccc(C[NH2+]C[C@@H]3CCN3C(C)(C)C)cc2F)CC1 ZINC001328157558 1330564509 /nfs/dbraw/zinc/56/45/09/1330564509.db2.gz BTFFRKHSYUVICB-KRWDZBQOSA-N 1 0 348.510 2.540 10 10 EFCERO CN1CCN(c2ccc(C[NH2+]CC[C@@H]3CC3(F)F)cc2F)CC1 ZINC001328571184 1330603501 /nfs/dbraw/zinc/60/35/01/1330603501.db2.gz DEMRKSIEDWYYME-CQSZACIVSA-N 1 0 327.394 2.712 10 10 EFCERO CCC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc2cccnc2c1O ZINC001329032840 1330659361 /nfs/dbraw/zinc/65/93/61/1330659361.db2.gz SXSPYUCDBBNLEQ-INIZCTEOSA-N 1 0 327.428 2.821 10 10 EFCERO COc1ccc(N2CC[C@H]([NH2+]Cc3ccc([S@@](C)=O)cc3)C2)cc1 ZINC001329547840 1330717777 /nfs/dbraw/zinc/71/77/77/1330717777.db2.gz HBIHTTVAMDJNTN-UPCLLVRISA-N 1 0 344.480 2.801 10 10 EFCERO C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[N@H+](C)CCC1CC1 ZINC001329627114 1330724327 /nfs/dbraw/zinc/72/43/27/1330724327.db2.gz DRFINTZEOVLNHF-GFCCVEGCSA-N 1 0 331.420 2.699 10 10 EFCERO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CCN(C2CCOCC2)C1=O ZINC001329717548 1330730290 /nfs/dbraw/zinc/73/02/90/1330730290.db2.gz RRAQFJTXMYSWMM-KBMXLJTQSA-N 1 0 344.455 2.618 10 10 EFCERO C[C@@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)c1ccncc1 ZINC001331498758 1330844194 /nfs/dbraw/zinc/84/41/94/1330844194.db2.gz ROASFHPBFRQXBO-INIZCTEOSA-N 1 0 342.462 2.866 10 10 EFCERO C[C@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)c1ccncc1 ZINC001331499545 1330844246 /nfs/dbraw/zinc/84/42/46/1330844246.db2.gz ROASFHPBFRQXBO-MRXNPFEDSA-N 1 0 342.462 2.866 10 10 EFCERO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001331602817 1330858993 /nfs/dbraw/zinc/85/89/93/1330858993.db2.gz FTORQVBDUAALCD-JOYOIKCWSA-N 1 0 332.425 2.525 10 10 EFCERO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001331602815 1330859079 /nfs/dbraw/zinc/85/90/79/1330859079.db2.gz FTORQVBDUAALCD-CABZTGNLSA-N 1 0 332.425 2.525 10 10 EFCERO CCC[NH2+]C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(C)(C)C ZINC001332900265 1331044614 /nfs/dbraw/zinc/04/46/14/1331044614.db2.gz UJINDODCCJHWMI-AWEZNQCLSA-N 1 0 333.436 2.993 10 10 EFCERO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001333086874 1331076081 /nfs/dbraw/zinc/07/60/81/1331076081.db2.gz WEXRCGWRKRGFFU-NWDGAFQWSA-N 1 0 334.441 2.915 10 10 EFCERO [NH3+][C@H]1CN(Cc2ccc(N3CCCC3)cc2)CC[C@@H]1C(F)(F)F ZINC001333175279 1331088235 /nfs/dbraw/zinc/08/82/35/1331088235.db2.gz FROZTWHBSVOKTH-HOTGVXAUSA-N 1 0 327.394 2.998 10 10 EFCERO C[NH+](C)CC(C)(C)C1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC001333284015 1331106326 /nfs/dbraw/zinc/10/63/26/1331106326.db2.gz FSPNNMOLYXAYKQ-VURMDHGXSA-N 1 0 346.471 2.937 10 10 EFCERO CN(C)c1ccc(/C=C\C[N@@H+]2C[C@H](O)CC3(CCOCC3)C2)cc1 ZINC001333735020 1331204230 /nfs/dbraw/zinc/20/42/30/1331204230.db2.gz VSDBHGAWRMGHEL-ZRHASKPBSA-N 1 0 330.472 2.629 10 10 EFCERO O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001333736060 1331205303 /nfs/dbraw/zinc/20/53/03/1331205303.db2.gz PXJNNDMHCNOPIC-LBPRGKRZSA-N 1 0 332.425 2.623 10 10 EFCERO Cc1cc(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)c(C)n1-c1ccccn1 ZINC001351024078 1333168722 /nfs/dbraw/zinc/16/87/22/1333168722.db2.gz APVYVRGUXKMSKM-KBAYOESNSA-N 1 0 338.455 2.559 10 10 EFCERO C[C@@H]1CC[N@H+](CC(=O)N(Cc2ccco2)Cc2ccccc2O)C1 ZINC000847569775 1333924523 /nfs/dbraw/zinc/92/45/23/1333924523.db2.gz HTBVWQSFHYFQNZ-OAHLLOKOSA-N 1 0 328.412 2.856 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](C)CCO)c1O ZINC000848531419 1334777569 /nfs/dbraw/zinc/77/75/69/1334777569.db2.gz ODOJXUTXMGKLIA-ZJUUUORDSA-N 1 0 332.238 2.832 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+]Cc2cnn(C)c2)c1O ZINC000848523436 1334772147 /nfs/dbraw/zinc/77/21/47/1334772147.db2.gz FJEPQJPLSHWTTQ-VIFPVBQESA-N 1 0 340.221 2.748 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCCN(C)C2)c1O ZINC000848523975 1334772898 /nfs/dbraw/zinc/77/28/98/1334772898.db2.gz PAHZNVXVAJARRR-ZYHUDNBSSA-N 1 0 343.265 2.908 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+][C@@H](CCO)C2CC2)c1O ZINC000848534710 1334780459 /nfs/dbraw/zinc/78/04/59/1334780459.db2.gz UFNMGKZBBBCPNL-ZANVPECISA-N 1 0 344.249 2.975 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+][C@@H](CO)CC2CC2)c1O ZINC000848536636 1334783513 /nfs/dbraw/zinc/78/35/13/1334783513.db2.gz SAOPGQWODPARAW-JOYOIKCWSA-N 1 0 344.249 2.975 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2C[C@@H](O)C2(C)C)c1O ZINC000848546557 1334787908 /nfs/dbraw/zinc/78/79/08/1334787908.db2.gz BCBNUHZEAGSXFD-ZEGGKSINSA-N 1 0 344.249 2.973 10 10 EFCERO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H](C1CC1)[C@H]1CCCCO1 ZINC000848560315 1334795594 /nfs/dbraw/zinc/79/55/94/1334795594.db2.gz LAFNECGIEXXLMU-UXHICEINSA-N 1 0 330.472 2.961 10 10 EFCERO CCc1cccc(C[N@@H+](CC(=O)N2CCCC2)C[C@H]2CCCO2)c1O ZINC000848888168 1334962828 /nfs/dbraw/zinc/96/28/28/1334962828.db2.gz NSZFZZRXFSGAST-GOSISDBHSA-N 1 0 346.471 2.558 10 10 EFCERO CCc1cccc(C[NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)c1O ZINC000848905720 1334975299 /nfs/dbraw/zinc/97/52/99/1334975299.db2.gz LVMICBDTPDARAH-SFHVURJKSA-N 1 0 342.414 2.984 10 10 EFCERO Cn1c(Cl)ncc1C[NH2+]Cc1cc(Br)ccc1O ZINC000848910645 1334979091 /nfs/dbraw/zinc/97/90/91/1334979091.db2.gz LVPUTURBDNDGMX-UHFFFAOYSA-N 1 0 330.613 2.831 10 10 EFCERO CCc1cccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1O ZINC000848912218 1334980920 /nfs/dbraw/zinc/98/09/20/1334980920.db2.gz OJKVHAGAEDQISL-YOFSQIOKSA-N 1 0 343.515 2.697 10 10 EFCERO CCOc1ccc(O)c(C[NH+]2CCC([C@H]3NC(=O)C3(C)C)CC2)c1 ZINC000848918501 1334985857 /nfs/dbraw/zinc/98/58/57/1334985857.db2.gz BHXIOOVNLBVILQ-QGZVFWFLSA-N 1 0 332.444 2.528 10 10 EFCERO CC(C)OC(=O)C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C(C)C ZINC000848926873 1334991630 /nfs/dbraw/zinc/99/16/30/1334991630.db2.gz GEHLJMYOCWGOCW-IBGZPJMESA-N 1 0 348.487 2.979 10 10 EFCERO COc1ccc([C@@H]2CCNC[C@@H]2[NH2+]Cc2cccc(C)c2O)cc1 ZINC000849349860 1335596621 /nfs/dbraw/zinc/59/66/21/1335596621.db2.gz LVVOAVLYRHEYIV-OALUTQOASA-N 1 0 326.440 2.945 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)CC(F)(F)F)cc1C ZINC001480752446 1338245398 /nfs/dbraw/zinc/24/53/98/1338245398.db2.gz SCSGWMZVBAZQFE-GFCCVEGCSA-N 1 0 332.366 2.940 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)N[C@H]2C[C@H](C[NH2+]C/C=C\Cl)C2)cc1 ZINC001506906649 1406424700 /nfs/dbraw/zinc/42/47/00/1406424700.db2.gz MJEOBICJYHAYIL-OCFSHSJVSA-N 1 0 349.822 2.700 10 10 EFCERO Cc1cccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1O ZINC001456936455 1394875118 /nfs/dbraw/zinc/87/51/18/1394875118.db2.gz SMKPGZPTLIOSOT-GOSISDBHSA-N 1 0 341.455 2.799 10 10 EFCERO CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CCn2ccnc2C1 ZINC001463815373 1396522844 /nfs/dbraw/zinc/52/28/44/1396522844.db2.gz ZLZQCLOCLLQVPX-QGZVFWFLSA-N 1 0 338.455 2.704 10 10 EFCERO O=C(Cc1ccc(O)c(O)c1)NC1CC[NH+](C2CCCCC2)CC1 ZINC001465594802 1396694991 /nfs/dbraw/zinc/69/49/91/1396694991.db2.gz OJYQLQSKYGBTPF-UHFFFAOYSA-N 1 0 332.444 2.554 10 10 EFCERO CC1(C)CCC[N@H+](CCNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001467538442 1396866891 /nfs/dbraw/zinc/86/68/91/1396866891.db2.gz WQPCLXLPWBLCQC-UHFFFAOYSA-N 1 0 331.420 2.701 10 10 EFCERO C[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)C1CCC1 ZINC001469657875 1397046190 /nfs/dbraw/zinc/04/61/90/1397046190.db2.gz BJFGTIWNZDCJBO-KSSFIOAISA-N 1 0 332.492 2.843 10 10 EFCERO C[C@@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)C1CCC1 ZINC001469657874 1397046531 /nfs/dbraw/zinc/04/65/31/1397046531.db2.gz BJFGTIWNZDCJBO-KDOFPFPSSA-N 1 0 332.492 2.843 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)COCC3CC3)C2)cc1C ZINC001507301913 1406865746 /nfs/dbraw/zinc/86/57/46/1406865746.db2.gz SSHUZCPKXPIYDF-QAPCUYQASA-N 1 0 346.471 2.509 10 10 EFCERO CN(C)c1ccc([C@H](CNC(=O)N[C@]2(C)CC2(C)C)[NH+](C)C)cc1 ZINC001471548190 1397182624 /nfs/dbraw/zinc/18/26/24/1397182624.db2.gz RLRUWJCNBFVZTP-QFBILLFUSA-N 1 0 332.492 2.843 10 10 EFCERO CN(C)c1ccc([C@@H](CNC(=O)N[C@@]2(C)CC2(C)C)[NH+](C)C)cc1 ZINC001471548188 1397183214 /nfs/dbraw/zinc/18/32/14/1397183214.db2.gz RLRUWJCNBFVZTP-APWZRJJASA-N 1 0 332.492 2.843 10 10 EFCERO C[C@@H]1CN(CC[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)C[C@@H](C)O1 ZINC001473114921 1397283471 /nfs/dbraw/zinc/28/34/71/1397283471.db2.gz JHZHLGJRHSXYRH-IAGOWNOFSA-N 1 0 331.504 2.826 10 10 EFCERO C[C@H](CN1CCOCC1)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC001473262905 1397292846 /nfs/dbraw/zinc/29/28/46/1397292846.db2.gz NDPMJMMPMXJPSM-QGZVFWFLSA-N 1 0 344.455 2.956 10 10 EFCERO CCCC[N@H+](CC(=O)N1CCOC(C)(C)C1)Cc1ccccc1O ZINC001473424760 1397301800 /nfs/dbraw/zinc/30/18/00/1397301800.db2.gz QGRFHUJYQBKXCX-UHFFFAOYSA-N 1 0 334.460 2.632 10 10 EFCERO CC[C@H](F)C[N@H+](C)CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001479815745 1397911261 /nfs/dbraw/zinc/91/12/61/1397911261.db2.gz IHXWWHBIEBRYCN-ZDUSSCGKSA-N 1 0 337.399 2.649 10 10 EFCERO CC(C)CCC[NH2+][C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001480602458 1398243902 /nfs/dbraw/zinc/24/39/02/1398243902.db2.gz YAKBWNAOLNQIPV-CYBMUJFWSA-N 1 0 333.436 2.993 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)N2CC[C@H](C[NH2+]CCC3CC3)C2)cc1 ZINC001480682391 1398280735 /nfs/dbraw/zinc/28/07/35/1398280735.db2.gz FVVGBEAOTJPDJX-CQSZACIVSA-N 1 0 343.431 2.701 10 10 EFCERO CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001507420484 1407034912 /nfs/dbraw/zinc/03/49/12/1407034912.db2.gz ITZPFZNWYJGPPB-IUODEOHRSA-N 1 0 331.420 2.747 10 10 EFCERO CCO[C@@H](C)C(=O)N1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C(C)(C)C1 ZINC001507425070 1407038826 /nfs/dbraw/zinc/03/88/26/1407038826.db2.gz FHHCNFJKRSHZPI-YJBOKZPZSA-N 1 0 348.487 2.755 10 10 EFCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)c2ccncc2F)cc1C ZINC001497161288 1401192592 /nfs/dbraw/zinc/19/25/92/1401192592.db2.gz MLBVURBTSKOUGC-AWEZNQCLSA-N 1 0 345.418 2.836 10 10 EFCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)C[C@@H]2CCCOC2)cc1C ZINC001497324019 1401302510 /nfs/dbraw/zinc/30/25/10/1401302510.db2.gz RVBGGLZOMASESA-AEFFLSMTSA-N 1 0 348.487 2.805 10 10 EFCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)c1ccsn1 ZINC001497408825 1401355063 /nfs/dbraw/zinc/35/50/63/1401355063.db2.gz OSVNRTPLAGFNEF-UHFFFAOYSA-N 1 0 333.457 2.712 10 10 EFCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)c1nccs1 ZINC001497471582 1401400677 /nfs/dbraw/zinc/40/06/77/1401400677.db2.gz NWCUZVXQWYUDDD-UHFFFAOYSA-N 1 0 333.457 2.712 10 10 EFCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CC[C@H](F)C2)cc1C ZINC001497661524 1401530012 /nfs/dbraw/zinc/53/00/12/1401530012.db2.gz PBYHGJKGANFDMG-YRLOJYSSSA-N 1 0 334.435 2.904 10 10 EFCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CC[C@@H](F)C2)cc1C ZINC001497661521 1401530264 /nfs/dbraw/zinc/53/02/64/1401530264.db2.gz PBYHGJKGANFDMG-NMBNSIPYSA-N 1 0 334.435 2.904 10 10 EFCERO COc1ccc(C[NH2+]CCCN(C)C(=O)c2ccsn2)cc1C ZINC001498562422 1402177061 /nfs/dbraw/zinc/17/70/61/1402177061.db2.gz DYHDOLISZHEYLU-UHFFFAOYSA-N 1 0 333.457 2.712 10 10 EFCERO COC[C@H](C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001499938593 1402862888 /nfs/dbraw/zinc/86/28/88/1402862888.db2.gz CHFLJROUATWRHT-QAPCUYQASA-N 1 0 348.487 2.757 10 10 EFCERO CC[C@H](OC)C(=O)N(C)C1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001508099910 1407297588 /nfs/dbraw/zinc/29/75/88/1407297588.db2.gz XUSPCLDPUUAFOH-JCYILVPMSA-N 1 0 334.460 2.508 10 10 EFCERO COc1ccc(C[NH2+]C[C@@]2(C)CCN(C(=O)c3cnco3)C2)cc1C ZINC001500366340 1403077556 /nfs/dbraw/zinc/07/75/56/1403077556.db2.gz RNCOVYCRNUBEMK-LJQANCHMSA-N 1 0 343.427 2.634 10 10 EFCERO CCOCCC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001501107610 1403442562 /nfs/dbraw/zinc/44/25/62/1403442562.db2.gz RKXXZCJOGBYZTB-AEFFLSMTSA-N 1 0 348.487 2.614 10 10 EFCERO CC(C)[NH2+]CC[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001501654851 1403671376 /nfs/dbraw/zinc/67/13/76/1403671376.db2.gz HQYLUSMEFQBAEB-ZDUSSCGKSA-N 1 0 331.420 2.699 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@H]3CCO[C@H]3C)CCC2)cc1C ZINC001502012076 1403947314 /nfs/dbraw/zinc/94/73/14/1403947314.db2.gz UXNLPRNFVFKMMO-RDJZCZTQSA-N 1 0 346.471 2.557 10 10 EFCERO COc1ccc(C[NH2+][C@H]2CN(C(=O)CCOC(C)C)C[C@@H]2C)cc1C ZINC001502703752 1404301078 /nfs/dbraw/zinc/30/10/78/1404301078.db2.gz QNVVMDJOQQJLPR-WMZOPIPTSA-N 1 0 348.487 2.755 10 10 EFCERO C[C@@H](F)CC[NH2+]CC1CC(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001505539506 1404749684 /nfs/dbraw/zinc/74/96/84/1404749684.db2.gz LKWIQRORIFWDKP-XIKARTHZSA-N 1 0 349.410 2.695 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2ccncc2)cc1C ZINC001505546943 1404756290 /nfs/dbraw/zinc/75/62/90/1404756290.db2.gz DKZSCUUXPUFSGC-GJZGRUSLSA-N 1 0 327.428 2.695 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2cccnc2)cc1C ZINC001505547086 1404757405 /nfs/dbraw/zinc/75/74/05/1404757405.db2.gz FXRYEDGFUKHIGI-CABCVRRESA-N 1 0 327.428 2.695 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)Cc2cncs2)cc1C ZINC001505628873 1404872289 /nfs/dbraw/zinc/87/22/89/1404872289.db2.gz LCBXQMVIIKSIIH-KGLIPLIRSA-N 1 0 347.484 2.686 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)Cc2ccco2)cc1C ZINC001505712934 1404969968 /nfs/dbraw/zinc/96/99/68/1404969968.db2.gz HIWNONUSYOUIRG-GJZGRUSLSA-N 1 0 330.428 2.822 10 10 EFCERO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001557063142 1415103804 /nfs/dbraw/zinc/10/38/04/1415103804.db2.gz GMMGVPGOUCOXMF-GVDBMIGSSA-N 1 0 331.504 2.981 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC001557290286 1415117818 /nfs/dbraw/zinc/11/78/18/1415117818.db2.gz YKKIXYWBZVWDFN-LSDHHAIUSA-N 1 0 329.404 2.596 10 10 EFCERO CC[C@H](C)[C@@H](C(=O)OC)[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC001559492313 1415249358 /nfs/dbraw/zinc/24/93/58/1415249358.db2.gz LXSFTPVNFMDSHZ-YJBOKZPZSA-N 1 0 334.460 2.795 10 10 EFCERO COc1ccc(N(C)CC[N@H+](C)CCNC(=O)OC(C)(C)C)cc1 ZINC001559966738 1415259965 /nfs/dbraw/zinc/25/99/65/1415259965.db2.gz JTSKMUWZKXUOAP-UHFFFAOYSA-N 1 0 337.464 2.588 10 10 EFCERO COC1(c2nccn2C)CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC001560115964 1415263092 /nfs/dbraw/zinc/26/30/92/1415263092.db2.gz NKIXJEWKXRRHST-UHFFFAOYSA-N 1 0 342.487 2.932 10 10 EFCERO CN(C)c1ccc([C@H](CNC(=O)NC2CC(C)(C)C2)[NH+](C)C)cc1 ZINC001565110454 1415390232 /nfs/dbraw/zinc/39/02/32/1415390232.db2.gz ZZLKIUHTKMREJZ-KRWDZBQOSA-N 1 0 332.492 2.843 10 10 EFCERO C=C/C=C/CC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC001565644945 1415408683 /nfs/dbraw/zinc/40/86/83/1415408683.db2.gz LBOVGFMVGKNVDU-AATRIKPKSA-N 1 0 331.435 2.716 10 10 EFCERO O=C(Cc1ccc(O)c(O)c1)NC1CCC([NH+]2CCCCC2)CC1 ZINC001566201630 1415535152 /nfs/dbraw/zinc/53/51/52/1415535152.db2.gz LUWLOJODABKFRL-UHFFFAOYSA-N 1 0 332.444 2.554 10 10 EFCERO CC(C)=CC[N@H+](C)CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001566521228 1415609296 /nfs/dbraw/zinc/60/92/96/1415609296.db2.gz MAIABSHNKHOYEB-UHFFFAOYSA-N 1 0 331.420 2.867 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)/C=C\c3ccc[nH]3)C2)cc1C ZINC001566836726 1415794451 /nfs/dbraw/zinc/79/44/51/1415794451.db2.gz QPCQDKAUQMUPRK-KMICSSQZSA-N 1 0 339.439 2.782 10 10 EFCERO CC[C@H](C)[C@@H](OC)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001566843733 1415796458 /nfs/dbraw/zinc/79/64/58/1415796458.db2.gz LMBRAAKHPVLKTI-CKNFYHOISA-N 1 0 348.487 2.802 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2ccn(C)c2C)cc1C ZINC001567053268 1415916858 /nfs/dbraw/zinc/91/68/58/1415916858.db2.gz SFWFBFKYOIYRLJ-CQSZACIVSA-N 1 0 329.444 2.559 10 10 EFCERO CC/C=C\CC[NH2+][C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001567083757 1415929112 /nfs/dbraw/zinc/92/91/12/1415929112.db2.gz SGRXPIHDRJQKKD-WVJRDWOYSA-N 1 0 331.420 2.913 10 10 EFCERO CCOCC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001567157791 1415957119 /nfs/dbraw/zinc/95/71/19/1415957119.db2.gz TVUYCJQKMZNIHB-SJORKVTESA-N 1 0 334.460 2.557 10 10 EFCERO CCCOCC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001567160260 1415958713 /nfs/dbraw/zinc/95/87/13/1415958713.db2.gz UFGYTXFQJHIDDF-ROUUACIJSA-N 1 0 348.487 2.947 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2ccccn2)cc1C ZINC001567205287 1415995007 /nfs/dbraw/zinc/99/50/07/1415995007.db2.gz FLBACIRDLQYDIM-HNNXBMFYSA-N 1 0 327.428 2.697 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2c(C)noc2C)cc1C ZINC001568161710 1416429994 /nfs/dbraw/zinc/42/99/94/1416429994.db2.gz QBEYMEWSYHBPPC-LBPRGKRZSA-N 1 0 345.443 2.764 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](CC(C)C)NC(=O)c2cocn2)cc1C ZINC001568325778 1416477928 /nfs/dbraw/zinc/47/79/28/1416477928.db2.gz PRSQGVGVNQZVAL-MRXNPFEDSA-N 1 0 345.443 2.926 10 10 EFCERO CC(C)C1(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC1 ZINC001684608058 1416724638 /nfs/dbraw/zinc/72/46/38/1416724638.db2.gz ZPBMXGCKQKPBHL-KRWDZBQOSA-N 1 0 332.492 2.843 10 10 EFCERO COC[C@H](C)CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001690747683 1417236996 /nfs/dbraw/zinc/23/69/96/1417236996.db2.gz GLWYVWQOGLJGOT-QAPCUYQASA-N 1 0 348.487 2.614 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2C[C@H]2C2CC2)cc1C ZINC001698848023 1417340558 /nfs/dbraw/zinc/34/05/58/1417340558.db2.gz KFMHLIOKBNWGKY-FHLIZLRMSA-N 1 0 330.472 2.986 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)COC(C)C)cc1C ZINC001699019008 1417370890 /nfs/dbraw/zinc/37/08/90/1417370890.db2.gz YLJWBOSCSKHXBW-ZWKOTPCHSA-N 1 0 348.487 2.803 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2cc(C)sn2)cc1C ZINC001699361303 1417420113 /nfs/dbraw/zinc/42/01/13/1417420113.db2.gz NXUGQSRMZIRIOP-GFCCVEGCSA-N 1 0 333.457 2.677 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)CCCC(C)=O)C2)cc1C ZINC001700833653 1417662022 /nfs/dbraw/zinc/66/20/22/1417662022.db2.gz VFZYCKFPCNPTFI-QAPCUYQASA-N 1 0 346.471 2.842 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)CCOC(C)C)C2)cc1C ZINC001700833341 1417662308 /nfs/dbraw/zinc/66/23/08/1417662308.db2.gz URFIFISBDWVCAM-WMZOPIPTSA-N 1 0 348.487 2.898 10 10 EFCERO CCOCCC(=O)N1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@@H]1C ZINC001700834441 1417662868 /nfs/dbraw/zinc/66/28/68/1417662868.db2.gz LLPCHFRLZSGPFX-RDJZCZTQSA-N 1 0 334.460 2.509 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CCC(F)F)C2)cc1C ZINC001713197301 1418371641 /nfs/dbraw/zinc/37/16/41/1418371641.db2.gz ZYXHLBKYOKUYIR-OKILXGFUSA-N 1 0 326.387 2.786 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2cc(C)cc(C)n2)cc1C ZINC001713321729 1418472174 /nfs/dbraw/zinc/47/21/74/1418472174.db2.gz SZEICJARTAQSOT-INIZCTEOSA-N 1 0 341.455 2.924 10 10 EFCERO Cc1cc(Br)cc(C[N@@H+](C)C2CCN(C)CC2)c1O ZINC000160954269 1418547900 /nfs/dbraw/zinc/54/79/00/1418547900.db2.gz BAKXDYCYQXYLNQ-UHFFFAOYSA-N 1 0 327.266 2.989 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)c2ccccc2O)cc1C ZINC001713572624 1418557516 /nfs/dbraw/zinc/55/75/16/1418557516.db2.gz MPZQAYTVNPGJIJ-UHFFFAOYSA-N 1 0 328.412 2.571 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)N2CCC(CC[NH2+]CCF)CC2)cc1 ZINC001714291657 1418595049 /nfs/dbraw/zinc/59/50/49/1418595049.db2.gz ZXAGHGRDVGPHOA-UHFFFAOYSA-N 1 0 349.410 2.650 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](CC(C)C)NC(=O)c2cn[nH]c2)cc1C ZINC001715393943 1418669159 /nfs/dbraw/zinc/66/91/59/1418669159.db2.gz YPIMNCLXQNKGTD-KRWDZBQOSA-N 1 0 344.459 2.661 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](CC(C)C)NC(=O)c2cn[nH]c2)cc1C ZINC001715394032 1418669285 /nfs/dbraw/zinc/66/92/85/1418669285.db2.gz YPIMNCLXQNKGTD-QGZVFWFLSA-N 1 0 344.459 2.661 10 10 EFCERO CCc1cc(C(=O)N[C@H](C)CC[NH2+]Cc2ccc(OC)c(C)c2)[nH]n1 ZINC001716121477 1418709154 /nfs/dbraw/zinc/70/91/54/1418709154.db2.gz BPSAXLOZJCKZJQ-CQSZACIVSA-N 1 0 344.459 2.587 10 10 EFCERO CCN(CC[NH2+]CCC(C)C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001716257794 1418744015 /nfs/dbraw/zinc/74/40/15/1418744015.db2.gz FWOTZJKVBKPBSG-UHFFFAOYSA-N 1 0 333.436 2.947 10 10 EFCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)c2ccnc(C)c2)cc1C ZINC001716355961 1418797110 /nfs/dbraw/zinc/79/71/10/1418797110.db2.gz IQHWVIVLHRUHGY-SNAWJCMRSA-N 1 0 339.439 2.783 10 10 EFCERO CC(C)CC[NH2+]C/C=C\CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001716382170 1418864055 /nfs/dbraw/zinc/86/40/55/1418864055.db2.gz DBCPMFPITGTIDC-IYYWNQSKSA-N 1 0 331.420 2.771 10 10 EFCERO COCC1(C(=O)N[C@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)CCCC1 ZINC001716398045 1418872800 /nfs/dbraw/zinc/87/28/00/1418872800.db2.gz GAEGUHCNJRRPPM-MRXNPFEDSA-N 1 0 348.487 2.805 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](NC(=O)c2cscn2)C2CC2)cc1C ZINC001716605941 1418921828 /nfs/dbraw/zinc/92/18/28/1418921828.db2.gz GJEALRVNZSCBHF-HNNXBMFYSA-N 1 0 345.468 2.758 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)[C@H](F)C(C)C)C2CC2)cc1C ZINC001716619973 1418926890 /nfs/dbraw/zinc/92/68/90/1418926890.db2.gz YCLJWHAGRKAEKF-SJLPKXTDSA-N 1 0 336.451 2.982 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)Cc3ccccc3)CC2)cc1C ZINC001716686045 1418957925 /nfs/dbraw/zinc/95/79/25/1418957925.db2.gz VYJAMQFRQVMKTH-UHFFFAOYSA-N 1 0 338.451 2.985 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2cccn2C)cc1C ZINC001717398999 1419378581 /nfs/dbraw/zinc/37/85/81/1419378581.db2.gz MIBUPUJWJRNRKN-CABCVRRESA-N 1 0 329.444 2.639 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)COC(C)C)C2)cc1C ZINC001717867999 1419593148 /nfs/dbraw/zinc/59/31/48/1419593148.db2.gz XOCNWXVRSNLQKU-MSOLQXFVSA-N 1 0 348.487 2.803 10 10 EFCERO COc1ccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)COC(C)C)C2)cc1C ZINC001717868001 1419593559 /nfs/dbraw/zinc/59/35/59/1419593559.db2.gz XOCNWXVRSNLQKU-ROUUACIJSA-N 1 0 348.487 2.803 10 10 EFCERO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@H](C)[C@H]2CCCO2)cc1C ZINC001723115359 1424427488 /nfs/dbraw/zinc/42/74/88/1424427488.db2.gz AGDLBNQZZZPJSA-VQIMIIECSA-N 1 0 348.487 2.757 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)N[C@H](C[NH2+]C/C=C\Cl)C2CC2)cc1 ZINC001723355235 1424473808 /nfs/dbraw/zinc/47/38/08/1424473808.db2.gz JEAFQGZUDJAEOF-RIWHFZCPSA-N 1 0 349.822 2.700 10 10 EFCERO CC[C@@H](C)OCC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001723896690 1424605549 /nfs/dbraw/zinc/60/55/49/1424605549.db2.gz HWZCPKJWLSKWQT-AEFFLSMTSA-N 1 0 348.487 2.899 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)N2CCC[C@H]2C[NH2+]CCC2CC2)cc1 ZINC001723982093 1424616537 /nfs/dbraw/zinc/61/65/37/1424616537.db2.gz RGJNCMIQLUIENQ-INIZCTEOSA-N 1 0 343.431 2.843 10 10 EFCERO COCCCC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001724520419 1424778812 /nfs/dbraw/zinc/77/88/12/1424778812.db2.gz UTRTUMVXJPXQEF-WMZOPIPTSA-N 1 0 348.487 2.757 10 10 EFCERO CCOCCCC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001724931804 1425142013 /nfs/dbraw/zinc/14/20/13/1425142013.db2.gz NDCBPKNUNHHPLZ-FUHWJXTLSA-N 1 0 348.487 2.757 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2nocc2C)cc1C ZINC001725119022 1425312974 /nfs/dbraw/zinc/31/29/74/1425312974.db2.gz LCHVFVXLVLQICK-KGLIPLIRSA-N 1 0 331.416 2.597 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2CCCOCC2)cc1C ZINC001725487203 1425614746 /nfs/dbraw/zinc/61/47/46/1425614746.db2.gz UVIDDOCHNYTOHJ-AEFFLSMTSA-N 1 0 348.487 2.757 10 10 EFCERO C[NH+](C)CCCCC(=O)NCc1cc(Br)ccc1O ZINC000804737960 713456603 /nfs/dbraw/zinc/45/66/03/713456603.db2.gz WXMCMDLLAKQXKC-UHFFFAOYSA-N 1 0 329.238 2.503 10 10 EFCERO CC(=O)C(C)(C)CCC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891254520 714148440 /nfs/dbraw/zinc/14/84/40/714148440.db2.gz YQSHAXNEXIHBTB-GOSISDBHSA-N 1 0 347.503 2.867 10 10 EFCERO CC[C@H]1C[N@H+](Cc2cc(OC)c(C)cc2O)CCN1CC(F)F ZINC000160524095 714259418 /nfs/dbraw/zinc/25/94/18/714259418.db2.gz GPZHHQKLTCTTEO-AWEZNQCLSA-N 1 0 328.403 2.871 10 10 EFCERO CC[C@@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1cc(Br)ccc1O ZINC000723570968 714663732 /nfs/dbraw/zinc/66/37/32/714663732.db2.gz NSYMFTHJNQHTJV-ZWNOBZJWSA-N 1 0 341.249 2.674 10 10 EFCERO COC(=O)c1cc2ccccc2c(C[N@H+](C)C[C@H]2CCOC2)c1O ZINC000176095807 715054803 /nfs/dbraw/zinc/05/48/03/715054803.db2.gz FOGIDBZWOLESTK-CYBMUJFWSA-N 1 0 329.396 2.800 10 10 EFCERO COc1ccc(N2CCN(C(=O)Nc3ccc(C[NH3+])cc3)CC2)cc1 ZINC000327281779 715923914 /nfs/dbraw/zinc/92/39/14/715923914.db2.gz HAGODHVXHYHWKP-UHFFFAOYSA-N 1 0 340.427 2.508 10 10 EFCERO COC(=O)c1cnc(CN(C)c2ccc(OCC[NH+](C)C)cc2)s1 ZINC000894462215 722746258 /nfs/dbraw/zinc/74/62/58/722746258.db2.gz QOUODAOXBZOVEJ-UHFFFAOYSA-N 1 0 349.456 2.507 10 10 EFCERO CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCC[N@H+](CC)C2)cc1 ZINC000052552461 716295787 /nfs/dbraw/zinc/29/57/87/716295787.db2.gz XFUMQLPLIBDNTJ-QGZVFWFLSA-N 1 0 332.492 2.816 10 10 EFCERO Cc1cnc(CC[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)s1 ZINC000093807211 716640912 /nfs/dbraw/zinc/64/09/12/716640912.db2.gz WIORXWFXIMGLIP-UHFFFAOYSA-N 1 0 331.485 2.963 10 10 EFCERO C[C@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)[NH+]1CCCCC1 ZINC000895810192 724320411 /nfs/dbraw/zinc/32/04/11/724320411.db2.gz IIFFZXYBSNOGHL-LLVKDONJSA-N 1 0 334.441 2.917 10 10 EFCERO Cc1ccccc1[C@@H](O)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000304062235 724444945 /nfs/dbraw/zinc/44/49/45/724444945.db2.gz QHUDSFNEAWYKNT-FQEVSTJZSA-N 1 0 344.430 2.794 10 10 EFCERO C[C@H]1[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)CCN1Cc1ccccc1 ZINC000310686537 724467661 /nfs/dbraw/zinc/46/76/61/724467661.db2.gz MMGYPXKYRUGXPR-WMLDXEAASA-N 1 0 340.423 2.874 10 10 EFCERO Cc1cc(O)c(C[N@H+]2CCC[C@H](NC(=O)N(C)C)C2)c(Cl)c1 ZINC000840951702 718590504 /nfs/dbraw/zinc/59/05/04/718590504.db2.gz HLDADHHKBXHUCU-LBPRGKRZSA-N 1 0 325.840 2.590 10 10 EFCERO COC(=O)c1c(C[N@H+](C)C[C@H]2CCCO2)c2cc(F)ccc2n1C ZINC000893926648 720165069 /nfs/dbraw/zinc/16/50/69/720165069.db2.gz WKALWCLVYOBPOV-CYBMUJFWSA-N 1 0 334.391 2.715 10 10 EFCERO COC(=O)c1c(CN2CCC[C@H](OC)C2)c2cc(F)ccc2n1C ZINC000893960334 720185874 /nfs/dbraw/zinc/18/58/74/720185874.db2.gz STVQJZGRWVVNQY-ZDUSSCGKSA-N 1 0 334.391 2.715 10 10 EFCERO COC(=O)c1c(C[N@@H+]2CCC[C@H](CCO)C2)c2cc(F)ccc2n1C ZINC000894004394 720217868 /nfs/dbraw/zinc/21/78/68/720217868.db2.gz OXDUORWXGZDMRK-CYBMUJFWSA-N 1 0 348.418 2.698 10 10 EFCERO COC(=O)c1c(C[N@@H+]2CC[C@@]3(CCOC3)C2)c2cc(F)ccc2n1C ZINC000894083551 720263914 /nfs/dbraw/zinc/26/39/14/720263914.db2.gz JEHSKTGPIBCGOO-LJQANCHMSA-N 1 0 346.402 2.716 10 10 EFCERO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000186198661 720450215 /nfs/dbraw/zinc/45/02/15/720450215.db2.gz VGIFOJRBZCYFCQ-STQMWFEESA-N 1 0 341.386 2.981 10 10 EFCERO CCCN(CCC)c1ccc(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)cc1 ZINC000091865302 720491702 /nfs/dbraw/zinc/49/17/02/720491702.db2.gz ZKWOZUKFEKGXIM-SFHVURJKSA-N 1 0 330.476 2.522 10 10 EFCERO COC(=O)c1c(C[NH2+]CCc2ccccn2)c2cc(F)ccc2n1C ZINC000894145062 720911776 /nfs/dbraw/zinc/91/17/76/720911776.db2.gz FIZALZFOMNXUMV-UHFFFAOYSA-N 1 0 341.386 2.831 10 10 EFCERO Cc1cc(CCNC(=S)NCC[NH+](C)C)c(C)n1-c1ccccc1 ZINC000015156196 721131063 /nfs/dbraw/zinc/13/10/63/721131063.db2.gz KMFKEWDPYWPERR-UHFFFAOYSA-N 1 0 344.528 2.662 10 10 EFCERO Cc1ccnc(N)c1C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000894189526 721187141 /nfs/dbraw/zinc/18/71/41/721187141.db2.gz ABWRONSGTGOLKV-UHFFFAOYSA-N 1 0 328.485 2.815 10 10 EFCERO COC(=O)c1c(C[NH2+]C[C@@H]2CCCOC2)c2cc(F)ccc2n1C ZINC000894200432 721194962 /nfs/dbraw/zinc/19/49/62/721194962.db2.gz SDPUBHNNPHDLMM-LBPRGKRZSA-N 1 0 334.391 2.620 10 10 EFCERO CCC(O)(CC)C[NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894208859 721215482 /nfs/dbraw/zinc/21/54/82/721215482.db2.gz MEWLFNAKULHSJV-UHFFFAOYSA-N 1 0 336.407 2.745 10 10 EFCERO COc1ccc(N2CCC([NH2+]Cc3c(C)ccnc3N)CC2)cc1 ZINC000894217060 721280957 /nfs/dbraw/zinc/28/09/57/721280957.db2.gz XTQWUYUQIWTGMS-UHFFFAOYSA-N 1 0 326.444 2.739 10 10 EFCERO COC(=O)c1c(CNC[C@H](C)[N@H+](C)C2CC2)c2cc(F)ccc2n1C ZINC000894247076 721720273 /nfs/dbraw/zinc/72/02/73/721720273.db2.gz PANGUSPBLRSUIS-LBPRGKRZSA-N 1 0 347.434 2.676 10 10 EFCERO CCC[C@@](C)(O)C[NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894254305 721758572 /nfs/dbraw/zinc/75/85/72/721758572.db2.gz NEEHULBNOHTVOT-GOSISDBHSA-N 1 0 336.407 2.745 10 10 EFCERO COC(=O)c1c(C[NH2+][C@H]2CC[C@H](CO)CC2)c2cc(F)ccc2n1C ZINC000894340003 722132852 /nfs/dbraw/zinc/13/28/52/722132852.db2.gz JRGGHCAHMAFZRQ-MQMHXKEQSA-N 1 0 348.418 2.745 10 10 EFCERO COC(=O)c1c(C[NH2+]C[C@@H]2CCC=CO2)c2cc(F)ccc2n1C ZINC000894530795 722773452 /nfs/dbraw/zinc/77/34/52/722773452.db2.gz MSKXPNNLUQZGPJ-ZDUSSCGKSA-N 1 0 332.375 2.886 10 10 EFCERO COc1cc(C)cc(C[NH2+][C@@H](C)[C@H](O)c2ccc3c(c2)OCO3)c1O ZINC000894588418 722789007 /nfs/dbraw/zinc/78/90/07/722789007.db2.gz VEMMPODLOHAVHQ-SGTLLEGYSA-N 1 0 345.395 2.650 10 10 EFCERO COC(=O)c1c(C[NH2+]C[C@H]2CCSC2)c2cc(F)ccc2n1C ZINC000894597916 722793976 /nfs/dbraw/zinc/79/39/76/722793976.db2.gz RJIFCXPYJYFDGO-LLVKDONJSA-N 1 0 336.432 2.947 10 10 EFCERO COC(=O)c1cc(C[NH2+]Cc2cccc(OC)c2O)[nH]c1C(C)C ZINC000894765963 722842142 /nfs/dbraw/zinc/84/21/42/722842142.db2.gz LYSGWGBGYBCWSV-UHFFFAOYSA-N 1 0 332.400 2.929 10 10 EFCERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCCCSc2nccs2)C1 ZINC000154505631 728779476 /nfs/dbraw/zinc/77/94/76/728779476.db2.gz UBLIWBOGQUCRIX-OLZOCXBDSA-N 1 0 342.534 2.653 10 10 EFCERO COC(=O)c1c(C[NH2+]CCC(C)(C)CO)c2cc(F)ccc2n1C ZINC000894876249 722932456 /nfs/dbraw/zinc/93/24/56/722932456.db2.gz HWTPWYUQLMPKRP-UHFFFAOYSA-N 1 0 336.407 2.602 10 10 EFCERO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894881363 722937269 /nfs/dbraw/zinc/93/72/69/722937269.db2.gz OQGUHXHKTUEPIX-LRDDRELGSA-N 1 0 348.418 2.697 10 10 EFCERO [O-]c1c(F)cc(F)cc1C[N@@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000894881449 722937424 /nfs/dbraw/zinc/93/74/24/722937424.db2.gz PHPDZLXOOVMZQF-CRAIPNDOSA-N 1 0 337.341 2.970 10 10 EFCERO COC(=O)c1c(C[NH2+][C@@H](C)CC(C)(C)O)c2cc(F)ccc2n1C ZINC000894886654 723006672 /nfs/dbraw/zinc/00/66/72/723006672.db2.gz OXUZSAGQKMMQSI-NSHDSACASA-N 1 0 336.407 2.743 10 10 EFCERO COC(=O)c1c(C[N@H+]2C[C@H](CO)C[C@H](C)C2)c2cc(F)ccc2n1C ZINC000895033679 723056095 /nfs/dbraw/zinc/05/60/95/723056095.db2.gz LPTDACAGTXGGFB-QWHCGFSZSA-N 1 0 348.418 2.554 10 10 EFCERO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000895942080 723065868 /nfs/dbraw/zinc/06/58/68/723065868.db2.gz DMGJYXLZYTZEEZ-LLVKDONJSA-N 1 0 334.441 2.773 10 10 EFCERO O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000896520024 723337083 /nfs/dbraw/zinc/33/70/83/723337083.db2.gz DEUYXQMRVRRMSL-LBPRGKRZSA-N 1 0 346.452 2.870 10 10 EFCERO C[C@@H]1C[C@@H](N(C)C(=O)c2cc3cc(O)c(O)cc3s2)CC[N@@H+]1C ZINC000896624225 723406074 /nfs/dbraw/zinc/40/60/74/723406074.db2.gz UFSAIAMEKXWARB-PWSUYJOCSA-N 1 0 334.441 2.867 10 10 EFCERO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896633695 723414924 /nfs/dbraw/zinc/41/49/24/723414924.db2.gz KIOPXIYKIFTQNO-JQWIXIFHSA-N 1 0 334.441 2.725 10 10 EFCERO CN(C)c1ccc(/C=C\C[NH2+]CCN2C[C@H]3CCCCN3C2=O)cc1 ZINC000895343776 724052427 /nfs/dbraw/zinc/05/24/27/724052427.db2.gz LJURJUPXQDDZNT-SFFCAUCYSA-N 1 0 342.487 2.646 10 10 EFCERO COc1cc(C)cc(C[NH2+]Cc2c(C(F)(F)F)cnn2C)c1O ZINC000895388101 724101342 /nfs/dbraw/zinc/10/13/42/724101342.db2.gz GJHZKGUNTHRYAN-UHFFFAOYSA-N 1 0 329.322 2.751 10 10 EFCERO CCOc1cccc(C[NH2+]Cc2cnc(Br)cn2)c1O ZINC000895409025 724120595 /nfs/dbraw/zinc/12/05/95/724120595.db2.gz RMSKPRJJOKWCOP-UHFFFAOYSA-N 1 0 338.205 2.633 10 10 EFCERO COC(=O)c1c(C[N@@H+]2CC[C@@H](C(C)(C)O)C2)c2cc(F)ccc2n1C ZINC000895477335 724154097 /nfs/dbraw/zinc/15/40/97/724154097.db2.gz IHAZUIHWDRRMTA-GFCCVEGCSA-N 1 0 348.418 2.697 10 10 EFCERO CC1CC[NH+](CCNC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000895730251 724287451 /nfs/dbraw/zinc/28/74/51/724287451.db2.gz PFXYSDIHHSCROV-UHFFFAOYSA-N 1 0 334.441 2.774 10 10 EFCERO C[C@@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)C[NH+]1CCCC1 ZINC000895785731 724313347 /nfs/dbraw/zinc/31/33/47/724313347.db2.gz OCOFDQRKBQWZLV-NSHDSACASA-N 1 0 334.441 2.774 10 10 EFCERO COc1ccc(O)c(C[NH2+]CC[C@@H]2CCC3(CCOCC3)CO2)c1 ZINC000895799220 724322694 /nfs/dbraw/zinc/32/26/94/724322694.db2.gz OQMDLJVWEIEDFM-INIZCTEOSA-N 1 0 335.444 2.856 10 10 EFCERO COc1cc(C)cc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)[C@H]3C)O2)c1O ZINC000895819905 724331988 /nfs/dbraw/zinc/33/19/88/724331988.db2.gz LPRXETXCBJYBSD-PGSNGQOISA-N 1 0 335.444 2.771 10 10 EFCERO COc1ccc(O)c(CNC(=O)NC2CCC(C)([NH+]3CCC3)CC2)c1 ZINC000918746340 728920300 /nfs/dbraw/zinc/92/03/00/728920300.db2.gz WCJCKNNJEIETOV-UHFFFAOYSA-N 1 0 347.459 2.607 10 10 EFCERO C[NH+](C)[C@@H](CNC(=O)NCc1c(O)cccc1F)Cc1ccccc1 ZINC000913888722 725921760 /nfs/dbraw/zinc/92/17/60/725921760.db2.gz KQDNNJMUZISYEF-OAHLLOKOSA-N 1 0 345.418 2.503 10 10 EFCERO O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000731451252 726870969 /nfs/dbraw/zinc/87/09/69/726870969.db2.gz HOAHKXFLRKLVNY-SFHVURJKSA-N 1 0 339.439 2.791 10 10 EFCERO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000907434226 726941506 /nfs/dbraw/zinc/94/15/06/726941506.db2.gz YXPTWRYZHZVSQO-GFCCVEGCSA-N 1 0 334.441 2.915 10 10 EFCERO C[NH+]1CCC2(CCC(NC(=O)/C=C/c3ccc(O)c(O)c3)CC2)CC1 ZINC000908495279 727196085 /nfs/dbraw/zinc/19/60/85/727196085.db2.gz GQJILJGETAQAKS-HWKANZROSA-N 1 0 344.455 2.882 10 10 EFCERO O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1[O-] ZINC000841085722 727210988 /nfs/dbraw/zinc/21/09/88/727210988.db2.gz BNIVYZANOSPJSL-RISCZKNCSA-N 1 0 339.823 2.918 10 10 EFCERO Cc1ncc(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)cn1 ZINC000917140352 727776810 /nfs/dbraw/zinc/77/68/10/727776810.db2.gz PVZHGMNZKLEYAC-OKILXGFUSA-N 1 0 344.434 2.828 10 10 EFCERO CN(Cc1ccccc1O)C(=O)c1ccccc1OCC[NH+](C)C ZINC000129692836 728064705 /nfs/dbraw/zinc/06/47/05/728064705.db2.gz UUEDTPUQWNAUCC-UHFFFAOYSA-N 1 0 328.412 2.605 10 10 EFCERO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)COc2ccc(C)cc2)c1 ZINC000182362995 728102550 /nfs/dbraw/zinc/10/25/50/728102550.db2.gz RZYNZCCAGDTPRL-CABCVRRESA-N 1 0 331.412 2.800 10 10 EFCERO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](C)c1cccs1)cc2=O ZINC000182541802 728224272 /nfs/dbraw/zinc/22/42/72/728224272.db2.gz ORVGHERQTJTNRF-SNVBAGLBSA-N 1 0 346.412 2.524 10 10 EFCERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000174443175 728666704 /nfs/dbraw/zinc/66/67/04/728666704.db2.gz DJJPYOGOUCBIMJ-JKSUJKDBSA-N 1 0 348.466 2.660 10 10 EFCERO C[C@H]1C[C@H](N(C)C(=O)NCc2ccc(N3CC=CC3)cc2)CC[N@@H+]1C ZINC000175227437 729487280 /nfs/dbraw/zinc/48/72/80/729487280.db2.gz AXIABHOAUQEEBO-QFBILLFUSA-N 1 0 342.487 2.687 10 10 EFCERO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000179961356 729659132 /nfs/dbraw/zinc/65/91/32/729659132.db2.gz FFWPKCYSNXAKJA-KRWDZBQOSA-N 1 0 346.471 2.687 10 10 EFCERO CCOc1cc(C)nc(N2CC[NH+](Cc3cccc(C)c3O)CC2)n1 ZINC000180110655 729694640 /nfs/dbraw/zinc/69/46/40/729694640.db2.gz LBOJFQARHSYISW-UHFFFAOYSA-N 1 0 342.443 2.520 10 10 EFCERO OCC1([NH2+]Cc2ccc(Br)cc2O)Cc2ccccc2C1 ZINC000825277892 1126111222 /nfs/dbraw/zinc/11/12/22/1126111222.db2.gz HQRKNYBKZRECGY-UHFFFAOYSA-N 1 0 348.240 2.774 10 10 EFCERO COc1ccc(C[NH2+]C[C@@]2(C)CCN(C(=O)C[C@H](C)OC)C2)cc1C ZINC001569662329 1085495032 /nfs/dbraw/zinc/49/50/32/1085495032.db2.gz RQXDURQUZOHGNB-OXJNMPFZSA-N 1 0 348.487 2.757 10 10 EFCERO COc1ccc(C[NH2+]C[C@]2(C)CCN(C(=O)C[C@H](C)OC)C2)cc1C ZINC001569662328 1085495313 /nfs/dbraw/zinc/49/53/13/1085495313.db2.gz RQXDURQUZOHGNB-JXFKEZNVSA-N 1 0 348.487 2.757 10 10 EFCERO CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001569829363 1085651768 /nfs/dbraw/zinc/65/17/68/1085651768.db2.gz XRJVIYYLJXTEDE-TZMCWYRMSA-N 1 0 331.420 2.699 10 10 EFCERO COc1ccc(C[NH2+]CC[C@H]2CCN(C(=O)[C@H]3CCCO3)C2)cc1C ZINC001569962955 1085789881 /nfs/dbraw/zinc/78/98/81/1085789881.db2.gz SFHXRJXUEHGYQT-QFBILLFUSA-N 1 0 346.471 2.511 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3CCCCO3)CCC2)cc1C ZINC001570101085 1085949214 /nfs/dbraw/zinc/94/92/14/1085949214.db2.gz AGDJSYSWGOSNGM-SFHVURJKSA-N 1 0 346.471 2.701 10 10 EFCERO O=C(C1=CC(=O)CS1)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001570505666 1086293745 /nfs/dbraw/zinc/29/37/45/1086293745.db2.gz NMXRBWQVELANEH-ZBFHGGJFSA-N 1 0 328.437 2.800 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2ccsn2)cc1C ZINC001570611066 1086406457 /nfs/dbraw/zinc/40/64/57/1086406457.db2.gz NUQSCRFPHHOCIX-STQMWFEESA-N 1 0 333.457 2.757 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2cccnc2C)cc1C ZINC001571402968 1086787865 /nfs/dbraw/zinc/78/78/65/1086787865.db2.gz HVUMFWREQFTFRH-OAHLLOKOSA-N 1 0 341.455 2.957 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2nccs2)cc1C ZINC001571411112 1086793186 /nfs/dbraw/zinc/79/31/86/1086793186.db2.gz XGUDRQKKDLFSKW-ZDUSSCGKSA-N 1 0 333.457 2.710 10 10 EFCERO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001583994285 1092095626 /nfs/dbraw/zinc/09/56/26/1092095626.db2.gz OHEKFQAOXZARPC-IJEWVQPXSA-N 1 0 332.444 2.504 10 10 EFCERO COc1ccc(CNC(=O)[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c(O)c1 ZINC001648739227 1092262721 /nfs/dbraw/zinc/26/27/21/1092262721.db2.gz DBDLGFYOPGEULS-HKUYNNGSSA-N 1 0 340.423 2.710 10 10 EFCERO CCc1noc(C)c1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001266995812 1092280379 /nfs/dbraw/zinc/28/03/79/1092280379.db2.gz ZDCCAGKMRSRSTN-CYBMUJFWSA-N 1 0 345.443 2.771 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2ccncc2)cc1C ZINC001267118596 1092805849 /nfs/dbraw/zinc/80/58/49/1092805849.db2.gz NULOSENXOIEFEP-HNNXBMFYSA-N 1 0 327.428 2.697 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@H]2CC2(F)F)cc1C ZINC001267125426 1092833989 /nfs/dbraw/zinc/83/39/89/1092833989.db2.gz HIVYAAGAICCKRU-GXTWGEPZSA-N 1 0 326.387 2.643 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)NCC[C@@H]2CC[N@H+](CCCF)C2)cc1 ZINC001267604698 1094458137 /nfs/dbraw/zinc/45/81/37/1094458137.db2.gz BFSYOMAMYKXNRD-CYBMUJFWSA-N 1 0 349.410 2.650 10 10 EFCERO COCC(=O)NC[C@H]([NH2+]Cc1ccc(OC)c(C)c1)c1ccccc1 ZINC001267516433 1095166345 /nfs/dbraw/zinc/16/63/45/1095166345.db2.gz CMWFSCIQYXKLFN-SFHVURJKSA-N 1 0 342.439 2.597 10 10 EFCERO COc1ccc(C(=O)N(C)[C@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)o1 ZINC001268092945 1095297179 /nfs/dbraw/zinc/29/71/79/1095297179.db2.gz NNCQJGMQIPCVSF-CQSZACIVSA-N 1 0 346.427 2.856 10 10 EFCERO C[C@@H](F)CC[NH2+]C[C@H](C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001268098082 1095347287 /nfs/dbraw/zinc/34/72/87/1095347287.db2.gz NZVQFLPEYSUUOT-NEPJUHHUSA-N 1 0 337.399 2.647 10 10 EFCERO C[C@@H](F)CC[NH2+]C[C@@H](C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001268098085 1095348966 /nfs/dbraw/zinc/34/89/66/1095348966.db2.gz NZVQFLPEYSUUOT-VXGBXAGGSA-N 1 0 337.399 2.647 10 10 EFCERO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)COC(C)C)C[C@@H]2C)cc1C ZINC001268128752 1095436974 /nfs/dbraw/zinc/43/69/74/1095436974.db2.gz NGWXAMVKCLWXOI-FUHWJXTLSA-N 1 0 348.487 2.755 10 10 EFCERO COc1ccc(C[NH2+]CC[C@@H]2CCCCN2C(=O)[C@H](C)OC)cc1C ZINC001268145368 1095505110 /nfs/dbraw/zinc/50/51/10/1095505110.db2.gz LLROGGHRVYMXHH-WMZOPIPTSA-N 1 0 348.487 2.899 10 10 EFCERO COc1ccc(C[NH2+]CC[C@H]2CCCCN2C(=O)[C@H](C)OC)cc1C ZINC001268145366 1095505294 /nfs/dbraw/zinc/50/52/94/1095505294.db2.gz LLROGGHRVYMXHH-FUHWJXTLSA-N 1 0 348.487 2.899 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)NCC[C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC001267571255 1095687289 /nfs/dbraw/zinc/68/72/89/1095687289.db2.gz KGWSTFVWQZPZAS-CQSZACIVSA-N 1 0 343.431 2.701 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)C[C@H]2CCCCO2)cc1C ZINC001481219162 1095748088 /nfs/dbraw/zinc/74/80/88/1095748088.db2.gz QCMAEJJDSSMEKV-QGZVFWFLSA-N 1 0 334.460 2.511 10 10 EFCERO CC(C)C[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001267596226 1096119244 /nfs/dbraw/zinc/11/92/44/1096119244.db2.gz NAEFFUOCJUEOGY-AWEZNQCLSA-N 1 0 345.447 2.899 10 10 EFCERO COc1ccc(C[NH2+][C@H](CNC(=O)c2nc(C)c[nH]2)C(C)C)cc1C ZINC001268224507 1096128090 /nfs/dbraw/zinc/12/80/90/1096128090.db2.gz QLEYDBHXBUPKRM-MRXNPFEDSA-N 1 0 344.459 2.579 10 10 EFCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)c2ccsn2)cc1C ZINC001268373253 1096421187 /nfs/dbraw/zinc/42/11/87/1096421187.db2.gz BEALYNRYGIGSFV-ZDUSSCGKSA-N 1 0 333.457 2.758 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@H]2CCCOCC2)cc1C ZINC001482097119 1097259605 /nfs/dbraw/zinc/25/96/05/1097259605.db2.gz SPFOHYPKJXZOQP-QAPCUYQASA-N 1 0 348.487 2.662 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2ccn(C)c2C)cc1C ZINC001268702613 1097554130 /nfs/dbraw/zinc/55/41/30/1097554130.db2.gz BWGSNAVPBBAAHL-AWEZNQCLSA-N 1 0 329.444 2.559 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)CCc2nccs2)cc1C ZINC001268714981 1097562563 /nfs/dbraw/zinc/56/25/63/1097562563.db2.gz GABGVPXGBQNAFH-AWEZNQCLSA-N 1 0 347.484 2.687 10 10 EFCERO COc1ccc(C[NH2+]CC[C@@H]2CCN(C(=O)C(F)F)C2)cc1C ZINC001279928360 1097817415 /nfs/dbraw/zinc/81/74/15/1097817415.db2.gz DDMHLWIPLBZSJA-CYBMUJFWSA-N 1 0 326.387 2.597 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)c2oncc2C)C2CC2)cc1C ZINC001269134820 1097883040 /nfs/dbraw/zinc/88/30/40/1097883040.db2.gz DYOKHBGPZLDDKP-MRXNPFEDSA-N 1 0 343.427 2.598 10 10 EFCERO COc1ccc(C[NH2+]C[C@](C)(NC(=O)CC(C)(C)O)C2CC2)cc1C ZINC001269610206 1098288742 /nfs/dbraw/zinc/28/87/42/1098288742.db2.gz XTNOYRZUDQCXHG-FQEVSTJZSA-N 1 0 348.487 2.539 10 10 EFCERO CC(C)[NH2+]C[C@@](C)(NC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001269651665 1098331919 /nfs/dbraw/zinc/33/19/19/1098331919.db2.gz KGEOWYMDRGKWRY-QGZVFWFLSA-N 1 0 331.420 2.746 10 10 EFCERO CCCc1n[nH]cc1C(=O)N(C)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001481252397 1099016700 /nfs/dbraw/zinc/01/67/00/1099016700.db2.gz SZYDFGKBTRQFAJ-UHFFFAOYSA-N 1 0 344.459 2.541 10 10 EFCERO COC[C@](C)([NH3+])CNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001611993641 1099039844 /nfs/dbraw/zinc/03/98/44/1099039844.db2.gz HODYGNQUZNWZPV-GOSISDBHSA-N 1 0 343.383 2.602 10 10 EFCERO CC[NH+](CC)C[C@H]1CCN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC001612039832 1099041736 /nfs/dbraw/zinc/04/17/36/1099041736.db2.gz LYILLYAYMQTKJZ-CYBMUJFWSA-N 1 0 337.420 2.780 10 10 EFCERO CN1CCCc2cc(C[NH+]3CCC4(CCCNC4=O)CC3)ccc21 ZINC000012132383 1099103437 /nfs/dbraw/zinc/10/34/37/1099103437.db2.gz WONMLYMOXQWPTB-UHFFFAOYSA-N 1 0 327.472 2.561 10 10 EFCERO CC(C)(CC[NH+]1CCCCCC1)NC(=O)Cc1ccc(O)c(O)c1 ZINC001616820315 1099196603 /nfs/dbraw/zinc/19/66/03/1099196603.db2.gz OCZVXOWLPWZLQF-UHFFFAOYSA-N 1 0 334.460 2.801 10 10 EFCERO C[C@H]1C[C@@H]([NH2+]CCCF)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001671256747 1099220157 /nfs/dbraw/zinc/22/01/57/1099220157.db2.gz JUOXHNFAZZFXTQ-WFASDCNBSA-N 1 0 349.410 2.791 10 10 EFCERO CCc1cccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC001618641990 1099310434 /nfs/dbraw/zinc/31/04/34/1099310434.db2.gz CYEVMUWCANHGRS-IBGZPJMESA-N 1 0 340.471 2.743 10 10 EFCERO C[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1O ZINC001620504771 1099355879 /nfs/dbraw/zinc/35/58/79/1099355879.db2.gz ABQULOOJCXVYNN-GFCCVEGCSA-N 1 0 329.356 2.980 10 10 EFCERO c1cc(N2CCCC2)ccc1C[NH2+]CCc1nnc2n1CCCCC2 ZINC001620712791 1099373725 /nfs/dbraw/zinc/37/37/25/1099373725.db2.gz IOZBVCAZLZOZNX-UHFFFAOYSA-N 1 0 339.487 2.937 10 10 EFCERO CCO[C@@H](C)C(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CCCC1 ZINC001270721522 1099491072 /nfs/dbraw/zinc/49/10/72/1099491072.db2.gz YGEZVOSZPWUZBD-INIZCTEOSA-N 1 0 348.487 2.947 10 10 EFCERO CCOc1ccc(N(CC)CC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000729474260 1099514554 /nfs/dbraw/zinc/51/45/54/1099514554.db2.gz CCJYLURWIYEYBN-UHFFFAOYSA-N 1 0 345.487 2.655 10 10 EFCERO C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCc3ccc4c(c3)CCCN4C)C[N@@H+]2C1 ZINC001626941079 1099938157 /nfs/dbraw/zinc/93/81/57/1099938157.db2.gz SSGLOUOLZQCQAE-MNEFBYGVSA-N 1 0 341.499 2.806 10 10 EFCERO CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC000729522060 1100124603 /nfs/dbraw/zinc/12/46/03/1100124603.db2.gz HACGJLGNIHXBIQ-KRWDZBQOSA-N 1 0 341.455 2.826 10 10 EFCERO CCOCC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001482442792 1100257633 /nfs/dbraw/zinc/25/76/33/1100257633.db2.gz NHJNQFOPYVDHGV-GOSISDBHSA-N 1 0 348.487 2.901 10 10 EFCERO CC1CC[NH+](CC[C@H]2CCCN2C(=O)c2cccc(O)c2O)CC1 ZINC001632164613 1100456764 /nfs/dbraw/zinc/45/67/64/1100456764.db2.gz ATHJSLFDLYRACK-OAHLLOKOSA-N 1 0 332.444 2.824 10 10 EFCERO Cc1cc(CNC(=O)N[C@@H](C)C[NH+](C)C)c(C)n1-c1ccccc1 ZINC001635097400 1100643308 /nfs/dbraw/zinc/64/33/08/1100643308.db2.gz OGUZLOLOVMCUFV-AWEZNQCLSA-N 1 0 328.460 2.843 10 10 EFCERO C[NH+]1CCN(c2ccc(CNC(=O)Oc3ccccc3)cc2)CC1 ZINC000049740669 1100661209 /nfs/dbraw/zinc/66/12/09/1100661209.db2.gz OWRHGBJKQZEJHJ-UHFFFAOYSA-N 1 0 325.412 2.727 10 10 EFCERO CC[C@@H](C)CONC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001635635688 1100671177 /nfs/dbraw/zinc/67/11/77/1100671177.db2.gz RKBVPTKTBPEXEV-RHSMWYFYSA-N 1 0 336.480 2.632 10 10 EFCERO COCCC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001482464383 1100681381 /nfs/dbraw/zinc/68/13/81/1100681381.db2.gz RYNQJVMREGAPFH-AEFFLSMTSA-N 1 0 348.487 2.757 10 10 EFCERO CN(C)c1ccc([C@@H](CNC(=O)c2cc(F)ccc2O)[NH+](C)C)cc1 ZINC001637004474 1100749974 /nfs/dbraw/zinc/74/99/74/1100749974.db2.gz BYKKNLDNPOKSJA-QGZVFWFLSA-N 1 0 345.418 2.630 10 10 EFCERO CC1([NH+]2CCCCC2)CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001637551803 1100789443 /nfs/dbraw/zinc/78/94/43/1100789443.db2.gz LBNQNCLLPNUZKT-UHFFFAOYSA-N 1 0 332.444 2.507 10 10 EFCERO O=C(Cc1ccc(O)c(O)c1)NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001642913235 1101255080 /nfs/dbraw/zinc/25/50/80/1101255080.db2.gz ORDFKURVYTWLBD-MRXNPFEDSA-N 1 0 332.444 2.554 10 10 EFCERO Cc1cc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)c(C)n1-c1cccc(C)c1 ZINC001643366907 1101293083 /nfs/dbraw/zinc/29/30/83/1101293083.db2.gz VTSXDKIZWMTNRV-QGZVFWFLSA-N 1 0 325.456 2.970 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCCO2)c1O ZINC000848512975 1101466071 /nfs/dbraw/zinc/46/60/71/1101466071.db2.gz BPSJYKNQIRCNSI-GXSJLCMTSA-N 1 0 330.222 2.993 10 10 EFCERO CN(C)c1ccc([C@H](CNC(=O)c2cc(F)ccc2N)[NH+](C)C)cc1 ZINC001653421172 1101621171 /nfs/dbraw/zinc/62/11/71/1101621171.db2.gz JICKYLVDGWTWJJ-SFHVURJKSA-N 1 0 344.434 2.507 10 10 EFCERO COc1cncc(N2CC[NH+](Cc3ccc(N(C)C)c(C)c3)CC2)c1 ZINC001654521482 1101726860 /nfs/dbraw/zinc/72/68/60/1101726860.db2.gz WPTOQUFLGWDWKE-UHFFFAOYSA-N 1 0 340.471 2.787 10 10 EFCERO COc1ccc(N2CC[NH+](CC3(O)CCCCCC3)CC2)c(OC)c1 ZINC001655378998 1101819801 /nfs/dbraw/zinc/81/98/01/1101819801.db2.gz WJSKSUJGPVQDEM-UHFFFAOYSA-N 1 0 348.487 2.911 10 10 EFCERO COc1ccc(C[NH2+][C@H](CNC(=O)[C@@H](F)C(C)C)C2CC2)cc1C ZINC001266427028 1102005116 /nfs/dbraw/zinc/00/51/16/1102005116.db2.gz SXJJVOYVKAPKKQ-AEFFLSMTSA-N 1 0 336.451 2.982 10 10 EFCERO CCO[C@@H](C)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001656266133 1102021021 /nfs/dbraw/zinc/02/10/21/1102021021.db2.gz SXBZZAMJQXRRIC-RYQLBKOJSA-N 1 0 348.487 2.803 10 10 EFCERO CC[N@H+](CCNC(=O)c1ccc(N=NC(N)=O)cc1)CC[C@H](C)F ZINC001266440331 1102083215 /nfs/dbraw/zinc/08/32/15/1102083215.db2.gz ORUSQEXENNQYER-LBPRGKRZSA-N 1 0 337.399 2.649 10 10 EFCERO CC[N@H+](CCNC(=O)c1ccc(N=NC(N)=O)cc1)CC[C@@H](C)F ZINC001266440330 1102083632 /nfs/dbraw/zinc/08/36/32/1102083632.db2.gz ORUSQEXENNQYER-GFCCVEGCSA-N 1 0 337.399 2.649 10 10 EFCERO C[C@H]([NH2+]CCCF)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001271562751 1102119139 /nfs/dbraw/zinc/11/91/39/1102119139.db2.gz UZUZYFOPYSUAMP-GXTWGEPZSA-N 1 0 349.410 2.649 10 10 EFCERO CCOCC(=O)N1CCCCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001656877220 1102234129 /nfs/dbraw/zinc/23/41/29/1102234129.db2.gz JGFNBKKZZBFDPM-SFHVURJKSA-N 1 0 348.487 2.901 10 10 EFCERO COC(=O)c1cc(C[N@H+](C)CCN(C)c2ccc(OC)cc2)c(C)o1 ZINC001659277965 1102530975 /nfs/dbraw/zinc/53/09/75/1102530975.db2.gz YJDKAJJBSSVZSD-UHFFFAOYSA-N 1 0 346.427 2.951 10 10 EFCERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2cocn2)C(C)C)cc1C ZINC001482521756 1102561845 /nfs/dbraw/zinc/56/18/45/1102561845.db2.gz JLARGRMLBLITJG-HNNXBMFYSA-N 1 0 331.416 2.536 10 10 EFCERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2ccccn2)C(C)C)cc1C ZINC001271800913 1102717603 /nfs/dbraw/zinc/71/76/03/1102717603.db2.gz VKQRYAICZIVMIK-SFHVURJKSA-N 1 0 341.455 2.943 10 10 EFCERO CN(C)c1ccc(CNC(=O)C[N@@H+]2C[C@H]3[C@H]4C=C[C@H](C4)[C@@]3(C)C2)cc1 ZINC001660399249 1102735650 /nfs/dbraw/zinc/73/56/50/1102735650.db2.gz PVHYIEFYGMTVEO-ZDWTUXFCSA-N 1 0 339.483 2.513 10 10 EFCERO C[C@@H](F)CC[N@H+](C)CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001660414290 1102750094 /nfs/dbraw/zinc/75/00/94/1102750094.db2.gz UPSHDGLJUQCGKZ-GFCCVEGCSA-N 1 0 337.399 2.649 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2cc(C)c(C)cn2)cc1C ZINC001266955121 1102769912 /nfs/dbraw/zinc/76/99/12/1102769912.db2.gz DRESHCYWTSOQCF-MRXNPFEDSA-N 1 0 341.455 2.924 10 10 EFCERO COc1ccc(C[NH2+][C@@H](CNC(=O)[C@@H]2CCCCO2)C2CC2)cc1C ZINC001661122873 1103139550 /nfs/dbraw/zinc/13/95/50/1103139550.db2.gz YDRRCMVPDVEHCM-HKUYNNGSSA-N 1 0 346.471 2.557 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C3(CF)CCC3)C2)cc1C ZINC001661474401 1103275824 /nfs/dbraw/zinc/27/58/24/1103275824.db2.gz YYWVKTMBTYWMKR-WKILWMFISA-N 1 0 334.435 2.880 10 10 EFCERO C[C@@]1(C2CC[NH+](Cc3c(O)ccc4ccncc43)CC2)COC(=O)N1 ZINC000905706347 1103516896 /nfs/dbraw/zinc/51/68/96/1103516896.db2.gz MLSCZDZWHSOJOW-IBGZPJMESA-N 1 0 341.411 2.651 10 10 EFCERO C[C@@]1([C@H]2CCC[N@H+](Cc3cc4c(cc3O)CCC4)C2)COC(=O)N1 ZINC000905708245 1103519422 /nfs/dbraw/zinc/51/94/22/1103519422.db2.gz ORFHUOPPFSVPMX-LPHOPBHVSA-N 1 0 330.428 2.591 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2cc(Cl)no2)cc1C ZINC001662395371 1103683573 /nfs/dbraw/zinc/68/35/73/1103683573.db2.gz UYXJYHATOMXIHV-NSHDSACASA-N 1 0 337.807 2.553 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)CCc2nccs2)cc1C ZINC001662421045 1103692753 /nfs/dbraw/zinc/69/27/53/1103692753.db2.gz XBGGBTKRWZDISH-CQSZACIVSA-N 1 0 347.484 2.687 10 10 EFCERO COc1ccc(C[NH2+]CCCN(C)C(=O)c2ncccc2C)cc1C ZINC001483458814 1103753176 /nfs/dbraw/zinc/75/31/76/1103753176.db2.gz DRLTYJUHSJDZFL-UHFFFAOYSA-N 1 0 341.455 2.959 10 10 EFCERO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@]2(C)CCCOC2)cc1C ZINC001483499910 1103848508 /nfs/dbraw/zinc/84/85/08/1103848508.db2.gz DSDJDQFPKCAMHH-HXUWFJFHSA-N 1 0 348.487 2.758 10 10 EFCERO CC1CC(C[N@H+](C)CCN(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001482653898 1104739859 /nfs/dbraw/zinc/73/98/59/1104739859.db2.gz VSVMGGCATFYMRY-UHFFFAOYSA-N 1 0 345.447 2.899 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2ncccc2C)cc1C ZINC001666876742 1105011995 /nfs/dbraw/zinc/01/19/95/1105011995.db2.gz KDLCJEYDDFJYSK-MRXNPFEDSA-N 1 0 341.455 2.957 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2nocc2C)cc1C ZINC001667029899 1105039530 /nfs/dbraw/zinc/03/95/30/1105039530.db2.gz ZMKZNYQEXHEHOP-CQSZACIVSA-N 1 0 331.416 2.550 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]2CCCO2)cc1C ZINC001667075923 1105047394 /nfs/dbraw/zinc/04/73/94/1105047394.db2.gz JVEXREGHFAQXST-IEBWSBKVSA-N 1 0 348.487 2.803 10 10 EFCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)c2ccn(C)c2)cc1C ZINC001482823533 1105054622 /nfs/dbraw/zinc/05/46/22/1105054622.db2.gz JYECGNLBWDCXCF-OAHLLOKOSA-N 1 0 329.444 2.640 10 10 EFCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)c2ccncc2)cc1C ZINC001667953286 1105211673 /nfs/dbraw/zinc/21/16/73/1105211673.db2.gz MQHFUFXZPMFDQK-OAHLLOKOSA-N 1 0 327.428 2.697 10 10 EFCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CC2(F)F)cc1C ZINC001668050614 1105227003 /nfs/dbraw/zinc/22/70/03/1105227003.db2.gz XJPQNFZHSWJCRN-OCCSQVGLSA-N 1 0 326.387 2.643 10 10 EFCERO CCN(CC[NH2+]CC[C@@H](C)F)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001668656824 1105342827 /nfs/dbraw/zinc/34/28/27/1105342827.db2.gz OHPCOPQYDXJIRK-GFCCVEGCSA-N 1 0 337.399 2.649 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)C[C@H]2CCCCO2)cc1C ZINC001669535191 1105493879 /nfs/dbraw/zinc/49/38/79/1105493879.db2.gz GWWIABTULOYYMZ-DOTOQJQBSA-N 1 0 334.460 2.557 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)Cc2ccccc2F)cc1C ZINC001669728179 1105512957 /nfs/dbraw/zinc/51/29/57/1105512957.db2.gz AOAORAMEMGKCEC-HNNXBMFYSA-N 1 0 344.430 2.980 10 10 EFCERO COc1ccc(C[NH2+]CCCN(C)C(=O)c2ccc(F)nc2)cc1C ZINC001670046458 1105572852 /nfs/dbraw/zinc/57/28/52/1105572852.db2.gz IMRSGAYZHFXNSV-UHFFFAOYSA-N 1 0 345.418 2.790 10 10 EFCERO CC(=O)c1cc(F)cc(C[NH2+]C2(C(=O)NCC3CC3)CCCC2)c1O ZINC000085937310 1105723748 /nfs/dbraw/zinc/72/37/48/1105723748.db2.gz YEUSDIAOEIHHKY-UHFFFAOYSA-N 1 0 348.418 2.663 10 10 EFCERO CC[C@H](C)C(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CCOCC1 ZINC001671920898 1105732141 /nfs/dbraw/zinc/73/21/41/1105732141.db2.gz CYUXNTBOXVDBKO-HNNXBMFYSA-N 1 0 348.487 2.805 10 10 EFCERO CN(CCC[NH+]1CCCC1)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897661067 1106041046 /nfs/dbraw/zinc/04/10/46/1106041046.db2.gz SFHZBXXWMVVYLR-UHFFFAOYSA-N 1 0 334.441 2.870 10 10 EFCERO CC[N@H+](C)[C@H]1CCN(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC001673744234 1106080653 /nfs/dbraw/zinc/08/06/53/1106080653.db2.gz KMYVURMFUWESPH-APWZRJJASA-N 1 0 346.519 2.728 10 10 EFCERO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000841984139 1106091214 /nfs/dbraw/zinc/09/12/14/1106091214.db2.gz CFLCKRVTOUVJAX-MAUKXSAKSA-N 1 0 332.492 2.671 10 10 EFCERO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000841984140 1106091300 /nfs/dbraw/zinc/09/13/00/1106091300.db2.gz CFLCKRVTOUVJAX-QAPCUYQASA-N 1 0 332.492 2.671 10 10 EFCERO C[C@H]([NH3+])[C@H](C)NC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000842008119 1106159446 /nfs/dbraw/zinc/15/94/46/1106159446.db2.gz VUGXNKCUXGMZDG-GJZGRUSLSA-N 1 0 344.459 2.793 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc2cscn2)cc1C ZINC001674735357 1106247914 /nfs/dbraw/zinc/24/79/14/1106247914.db2.gz PKPMETFGOCXNMP-UONOGXRCSA-N 1 0 347.484 2.686 10 10 EFCERO COc1ccc(C[NH2+][C@H](CCNC(=O)[C@H]2CCCO2)C(C)C)cc1C ZINC001676149439 1106493299 /nfs/dbraw/zinc/49/32/99/1106493299.db2.gz ZEGBAVRBTHUWPA-IEBWSBKVSA-N 1 0 348.487 2.803 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C[C@H]2CCCO2)cc1C ZINC001676310721 1106513515 /nfs/dbraw/zinc/51/35/15/1106513515.db2.gz IAJVJDYBLVWZFX-DOTOQJQBSA-N 1 0 334.460 2.509 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2ccncc2F)cc1C ZINC001676324564 1106515217 /nfs/dbraw/zinc/51/52/17/1106515217.db2.gz VULFBYAGNKARQT-CQSZACIVSA-N 1 0 345.418 2.788 10 10 EFCERO C[C@@H](F)CC[NH2+][C@H](C)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001676487653 1106535115 /nfs/dbraw/zinc/53/51/15/1106535115.db2.gz HSCNGFNNNPALRZ-VXGBXAGGSA-N 1 0 337.399 2.647 10 10 EFCERO C[C@@H]1CCC[N@@H+]1CCNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC001676497922 1106536527 /nfs/dbraw/zinc/53/65/27/1106536527.db2.gz RQQOLJZNTAELON-CQSZACIVSA-N 1 0 331.460 2.555 10 10 EFCERO CCCOCC(=O)N1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@H]1C ZINC001676710050 1106563469 /nfs/dbraw/zinc/56/34/69/1106563469.db2.gz UAHAYIIPMROCKV-WBVHZDCISA-N 1 0 334.460 2.509 10 10 EFCERO COc1ccc(C[NH2+]CC[C@H]2CCN(C(=O)C(C)(F)F)C2)cc1C ZINC001272337663 1107914957 /nfs/dbraw/zinc/91/49/57/1107914957.db2.gz BFFPLLSVKJMUHN-AWEZNQCLSA-N 1 0 340.414 2.987 10 10 EFCERO C[NH+](C)[C@@H](CNC(=O)NCc1c(O)cccc1F)c1cccs1 ZINC000905150156 1108460522 /nfs/dbraw/zinc/46/05/22/1108460522.db2.gz YLBIVFJFBYHTQB-ZDUSSCGKSA-N 1 0 337.420 2.695 10 10 EFCERO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C12CCC2 ZINC000898825555 1109099615 /nfs/dbraw/zinc/09/96/15/1109099615.db2.gz KMNDSQXMDMWDHY-CVEARBPZSA-N 1 0 346.452 2.915 10 10 EFCERO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000899202690 1109245575 /nfs/dbraw/zinc/24/55/75/1109245575.db2.gz ZEGUYTZYLXPIRD-NWDGAFQWSA-N 1 0 332.425 2.621 10 10 EFCERO CCC1([NH+]2CCC2)CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000899553888 1109385962 /nfs/dbraw/zinc/38/59/62/1109385962.db2.gz RZCHTKQLGWGXIK-UHFFFAOYSA-N 1 0 343.431 2.940 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2scnc2C)cc1C ZINC001483209751 1110068178 /nfs/dbraw/zinc/06/81/78/1110068178.db2.gz KXYOGGGWLIEKMA-LBPRGKRZSA-N 1 0 333.457 2.677 10 10 EFCERO Cn1cc(CC[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cn1 ZINC000916838826 1111990776 /nfs/dbraw/zinc/99/07/76/1111990776.db2.gz FFLBEXBARDXTJO-UHFFFAOYSA-N 1 0 343.431 2.651 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3CCO[C@@H](C)C3)CC2)cc1C ZINC001483778713 1112437864 /nfs/dbraw/zinc/43/78/64/1112437864.db2.gz LRZCUCWCQFNDMU-DOTOQJQBSA-N 1 0 346.471 2.557 10 10 EFCERO COc1ccc(C[NH2+][C@H]2CN(C(=O)CCC(F)F)C[C@H]2C)cc1C ZINC001484894973 1117810539 /nfs/dbraw/zinc/81/05/39/1117810539.db2.gz ICEYHCWKUXEZTC-HIFRSBDPSA-N 1 0 340.414 2.985 10 10 EFCERO CC(C)CC[N@H+](C)[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001485388883 1118330030 /nfs/dbraw/zinc/33/00/30/1118330030.db2.gz AMFJQUQIGLVHRG-CYBMUJFWSA-N 1 0 333.436 2.945 10 10 EFCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)c2oc(C)nc2C)cc1C ZINC001272703586 1118699107 /nfs/dbraw/zinc/69/91/07/1118699107.db2.gz MWTCZGYSIUZFIR-ZDUSSCGKSA-N 1 0 345.443 2.907 10 10 EFCERO CN(C)c1cc[nH+]cc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000183978343 1118836847 /nfs/dbraw/zinc/83/68/47/1118836847.db2.gz GLJSPRWQOKAJOI-UHFFFAOYSA-N 1 0 325.412 2.662 10 10 EFCERO COc1ccc(N2CCN(C(=O)C[NH2+][C@H](C)C3CCCC3)CC2)cc1 ZINC000184651571 1119288106 /nfs/dbraw/zinc/28/81/06/1119288106.db2.gz GBMPKRTUYHXRMW-MRXNPFEDSA-N 1 0 345.487 2.512 10 10 EFCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)c2cncc(F)c2)cc1C ZINC001272722730 1119385712 /nfs/dbraw/zinc/38/57/12/1119385712.db2.gz XPZGQYHVGIWNKQ-CQSZACIVSA-N 1 0 345.418 2.836 10 10 EFCERO CN(C)c1ccc(C[NH2+]CCCN2c3ccccc3OCC2=O)cc1 ZINC000174522087 529782271 /nfs/dbraw/zinc/78/22/71/529782271.db2.gz BUJUBDUGBACBGE-UHFFFAOYSA-N 1 0 339.439 2.658 10 10 EFCERO CCN1CCN(c2ccc([C@H](C)[NH3+])cc2Br)C[C@@H]1C ZINC000104128455 219350184 /nfs/dbraw/zinc/35/01/84/219350184.db2.gz YCTLPAJWUGJQPX-RYUDHWBXSA-N 1 0 326.282 2.999 10 10 EFCERO C[C@H]1C[C@H](N(C)C(=O)NCc2ccc3c(c2)CCCN3C)CC[N@@H+]1C ZINC000174447556 239232750 /nfs/dbraw/zinc/23/27/50/239232750.db2.gz CQXNVTDWYSMAFR-MAUKXSAKSA-N 1 0 344.503 2.693 10 10 EFCERO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000175625116 239280482 /nfs/dbraw/zinc/28/04/82/239280482.db2.gz MCMMXZRBJQFLGC-CYBMUJFWSA-N 1 0 346.406 2.725 10 10 EFCERO COc1ccnc(NC2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)n1 ZINC000191691144 240003327 /nfs/dbraw/zinc/00/33/27/240003327.db2.gz KLJRTAIXMFGSRF-UHFFFAOYSA-N 1 0 341.459 2.628 10 10 EFCERO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCN(c3ncccn3)C2)c1 ZINC000192813673 240065432 /nfs/dbraw/zinc/06/54/32/240065432.db2.gz WBOUHHPNBWUHLY-KBPBESRZSA-N 1 0 328.416 2.510 10 10 EFCERO CCOc1cccc(C[N@@H+]2CCC[C@H](c3nc(N(C)C)no3)C2)c1O ZINC000194943057 240192214 /nfs/dbraw/zinc/19/22/14/240192214.db2.gz OCBNPMUKEBODND-AWEZNQCLSA-N 1 0 346.431 2.620 10 10 EFCERO C[NH2+]C1CCN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)CC1 ZINC000237142496 240237940 /nfs/dbraw/zinc/23/79/40/240237940.db2.gz TXEVVBLTCVTXSX-UHFFFAOYSA-N 1 0 341.455 2.927 10 10 EFCERO C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12)c1ccc(N2CCOCC2)c(F)c1 ZINC000251913437 240305978 /nfs/dbraw/zinc/30/59/78/240305978.db2.gz RWKFHHPICPTQJX-YRMAPFEESA-N 1 0 334.435 2.880 10 10 EFCERO CCCOc1ccc(C[N@@H+]2CCO[C@@H]3CC[C@H](OC)C[C@H]32)c(O)c1 ZINC000245712354 240260245 /nfs/dbraw/zinc/26/02/45/240260245.db2.gz CLEUHROEVKLETG-KVSKMBFKSA-N 1 0 335.444 2.949 10 10 EFCERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(N2CCOCC2)cc1 ZINC000248392777 240289835 /nfs/dbraw/zinc/28/98/35/240289835.db2.gz FVGHXKLKLOFSPL-QUCCMNQESA-N 1 0 329.488 2.582 10 10 EFCERO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[C@@H](O)CN2Cc2ccccc2)c1 ZINC000248498590 240291071 /nfs/dbraw/zinc/29/10/71/240291071.db2.gz MHVASJVFODTJRV-YTQUADARSA-N 1 0 340.467 2.987 10 10 EFCERO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1cc(F)cc(C(C)=O)c1O ZINC000248806894 240295270 /nfs/dbraw/zinc/29/52/70/240295270.db2.gz GYVIZCKLAPHNDM-WPGHFRTFSA-N 1 0 335.375 2.507 10 10 EFCERO Cc1ccncc1C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000280042032 240855055 /nfs/dbraw/zinc/85/50/55/240855055.db2.gz VLFHSVUVBFAVRJ-UHFFFAOYSA-N 1 0 325.456 2.889 10 10 EFCERO Oc1cccc2c1[C@H]([NH2+]Cc1cnc(N3CCOCC3)c(F)c1)CC2 ZINC000296413415 241084740 /nfs/dbraw/zinc/08/47/40/241084740.db2.gz LAGGOPNGEJGKET-MRXNPFEDSA-N 1 0 343.402 2.540 10 10 EFCERO COC(C)(C)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000363717645 242281495 /nfs/dbraw/zinc/28/14/95/242281495.db2.gz HTOATPSMFLZMSB-AWEZNQCLSA-N 1 0 340.851 2.551 10 10 EFCERO Cc1cc(Cl)cc(CN2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1O ZINC000367730142 242390526 /nfs/dbraw/zinc/39/05/26/242390526.db2.gz WXRHAUIBUCHZLH-QGZVFWFLSA-N 1 0 337.895 2.566 10 10 EFCERO C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc3c(c2)CCCN3C)CC[N@@H+]1C ZINC000174447571 533586736 /nfs/dbraw/zinc/58/67/36/533586736.db2.gz CQXNVTDWYSMAFR-QAPCUYQASA-N 1 0 344.503 2.693 10 10 EFCERO COc1ccc(N2CCC[N@H+](Cc3cnc(OC)nc3C)CC2)cc1 ZINC000366890914 274113332 /nfs/dbraw/zinc/11/33/32/274113332.db2.gz FAUKJOCIRVQVDL-UHFFFAOYSA-N 1 0 342.443 2.515 10 10 EFCERO CC(C)C[N@H+](Cc1cc2c(cc1O)CCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000032888222 277381128 /nfs/dbraw/zinc/38/11/28/277381128.db2.gz QTWDCEXJKPRUMA-QGZVFWFLSA-N 1 0 337.485 2.526 10 10 EFCERO C[C@H]([NH2+]CCCN1CCCC1=O)c1ccc(Br)cc1O ZINC000184889160 473264784 /nfs/dbraw/zinc/26/47/84/473264784.db2.gz CYOALFDRPFYZTE-NSHDSACASA-N 1 0 341.249 2.818 10 10 EFCERO COc1cccc(C[N@@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)c1O ZINC000190491242 473293973 /nfs/dbraw/zinc/29/39/73/473293973.db2.gz IOIUZEUEUUIENU-QGZVFWFLSA-N 1 0 341.455 2.750 10 10 EFCERO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)CN2CCc3ccccc3C2)c1 ZINC000184991915 473294846 /nfs/dbraw/zinc/29/48/46/473294846.db2.gz SWIBOQUYTRMZNW-LPHOPBHVSA-N 1 0 340.467 2.770 10 10 EFCERO CN(C)c1ccc(/C=C\C(=O)NCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000096157966 473318861 /nfs/dbraw/zinc/31/88/61/473318861.db2.gz BVJNMJASDSGFIH-XFXZXTDPSA-N 1 0 349.478 2.940 10 10 EFCERO C[C@H]([NH2+]C[C@@H](O)CN1CCCCC1)c1cc2c(cc1O)CCCC2 ZINC000185115348 473333341 /nfs/dbraw/zinc/33/33/41/473333341.db2.gz UFEVKPCGIKRBJX-MAUKXSAKSA-N 1 0 332.488 2.768 10 10 EFCERO C[C@@H]([NH2+]C[C@@H](O)CN1CCCCC1)c1cc2c(cc1O)CCCC2 ZINC000185115366 473334334 /nfs/dbraw/zinc/33/43/34/473334334.db2.gz UFEVKPCGIKRBJX-CRAIPNDOSA-N 1 0 332.488 2.768 10 10 EFCERO C[C@@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1cc(F)ccc1O ZINC000185272335 473383075 /nfs/dbraw/zinc/38/30/75/473383075.db2.gz TYUNUTOIQZMULS-GFCCVEGCSA-N 1 0 349.381 2.753 10 10 EFCERO Oc1ccc(Cl)cc1CN1CCC[C@H]([NH2+]Cc2cncnc2)C1 ZINC000113359195 473387887 /nfs/dbraw/zinc/38/78/87/473387887.db2.gz YIRJLSSTPOFQNF-INIZCTEOSA-N 1 0 332.835 2.590 10 10 EFCERO C[N@H+](Cc1ccc(F)cc1)Cc1cc(=O)oc2cc(O)c(O)cc12 ZINC000012785788 471796375 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COc1ccc(O)c([C@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)N(C)C)c1 ZINC000185407753 473418218 /nfs/dbraw/zinc/41/82/18/473418218.db2.gz RMHFDGCOMVSQDU-KSSFIOAISA-N 1 0 342.439 2.751 10 10 EFCERO CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2cc(F)ccc2O)ncn1 ZINC000185992844 473566817 /nfs/dbraw/zinc/56/68/17/473566817.db2.gz CHAABBZZFHZYMI-TZMCWYRMSA-N 1 0 345.422 2.683 10 10 EFCERO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000186050852 473579411 /nfs/dbraw/zinc/57/94/11/473579411.db2.gz PBVWBTCKNQXWRT-UONOGXRCSA-N 1 0 328.416 2.510 10 10 EFCERO CC[C@H]([NH2+][C@H]1CCCN(c2cc(C)nn2C)C1=O)c1ccccc1O ZINC000186338425 473653672 /nfs/dbraw/zinc/65/36/72/473653672.db2.gz VCFASMSCFOTKKL-HOTGVXAUSA-N 1 0 342.443 2.670 10 10 EFCERO c1cnnc(N2CC[NH+](Cc3ccc(N4CCCCC4)cc3)CC2)c1 ZINC000127928042 473664916 /nfs/dbraw/zinc/66/49/16/473664916.db2.gz CSMJYXIATDCEEH-UHFFFAOYSA-N 1 0 337.471 2.789 10 10 EFCERO COc1ccc(O)c(C[NH+]2CCC(c3nnc4ccccn43)CC2)c1 ZINC000179611755 473698627 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COc1ccc(N2CCN(CC[NH2+][C@H](C)c3ccncc3)CC2)cc1 ZINC000271062518 474392190 /nfs/dbraw/zinc/39/21/90/474392190.db2.gz HKCDJLYEAISZHK-QGZVFWFLSA-N 1 0 340.471 2.563 10 10 EFCERO CC(C)C[C@@H]([NH2+][C@H](C)c1ccccc1O)c1nc(-c2nc[nH]n2)no1 ZINC000183669666 474409884 /nfs/dbraw/zinc/40/98/84/474409884.db2.gz DCKHJCPWBGVUGA-DGCLKSJQSA-N 1 0 342.403 2.998 10 10 EFCERO Cc1cc(C(=O)CN2CC[C@H](CO)C2)c(C)n1-c1ccc(F)cc1 ZINC000266888493 474517764 /nfs/dbraw/zinc/51/77/64/474517764.db2.gz BZFGGUUZRVAYSV-HNNXBMFYSA-N 1 0 330.403 2.730 10 10 EFCERO COc1cc(O)c(C[NH2+][C@H]2COc3ccc(F)cc3C2)cc1OC ZINC000290067323 474545660 /nfs/dbraw/zinc/54/56/60/474545660.db2.gz FOYPGVJBVBEEKL-CQSZACIVSA-N 1 0 333.359 2.642 10 10 EFCERO Cc1cc(Cl)cc(C[NH2+][C@@H](CO)C[C@H](O)c2ccccc2)c1O ZINC000271858955 474596906 /nfs/dbraw/zinc/59/69/06/474596906.db2.gz VMCVSBGRZDPGEQ-SJORKVTESA-N 1 0 335.831 2.928 10 10 EFCERO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCN(c3cc(C)nn3C)C2)c1 ZINC000278338077 474614149 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Cn1nccc1[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000376670743 477453651 /nfs/dbraw/zinc/45/36/51/477453651.db2.gz IMXDCWYCVRUOLH-HXUWFJFHSA-N 1 0 340.471 2.984 10 10 EFCERO Cc1cncc(/C=C/C(=O)N2C[C@@H](C[NH+](C)C)Oc3ccccc32)c1 ZINC000372095861 477638256 /nfs/dbraw/zinc/63/82/56/477638256.db2.gz QDLDQDRBCMOONX-KBOKABMXSA-N 1 0 337.423 2.759 10 10 EFCERO COc1cc(Br)cc(C[NH2+][C@]23C[C@H]2COC3(C)C)c1O ZINC000527765800 478509062 /nfs/dbraw/zinc/50/90/62/478509062.db2.gz JTZMLRWAFVWKGF-ZUZCIYMTSA-N 1 0 342.233 2.820 10 10 EFCERO CCOc1ccc(C[NH2+]C[C@@H]2c3ccccc3C(=O)N2C)c(O)c1 ZINC000527804025 478527735 /nfs/dbraw/zinc/52/77/35/478527735.db2.gz ACTCOZJGNKADCN-QGZVFWFLSA-N 1 0 326.396 2.707 10 10 EFCERO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H](O)[C@H]2CCCO2)c1O ZINC000527958801 478588525 /nfs/dbraw/zinc/58/85/25/478588525.db2.gz WVTFXWFNBGAKNF-LEWSCRJBSA-N 1 0 344.249 2.654 10 10 EFCERO CC(=O)c1cc(F)cc(C[NH+]2CCC(Cn3cccn3)CC2)c1O ZINC000175651743 527208818 /nfs/dbraw/zinc/20/88/18/527208818.db2.gz PHWSKPLFUUZBSO-UHFFFAOYSA-N 1 0 331.391 2.843 10 10 EFCERO CCN(CC)c1ccc(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000171903026 528301213 /nfs/dbraw/zinc/30/12/13/528301213.db2.gz XNJNYPNOZJEWMU-GOSISDBHSA-N 1 0 330.476 2.522 10 10 EFCERO CN(Cc1ccccc1O)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000298961450 535940085 /nfs/dbraw/zinc/94/00/85/535940085.db2.gz XGITUVHDSIIOOW-GOSISDBHSA-N 1 0 341.455 2.707 10 10 EFCERO COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3CCC[C@H]3C[NH3+])c2C)cc1 ZINC000237507257 536552096 /nfs/dbraw/zinc/55/20/96/536552096.db2.gz ZFBNACRVUNMWLO-HNAYVOBHSA-N 1 0 341.455 2.960 10 10 EFCERO COc1ccc(N2CCN(CC[NH2+]C3CC(C(C)C)C3)CC2)cc1 ZINC000754089381 575388099 /nfs/dbraw/zinc/38/80/99/575388099.db2.gz PUQIZBDRWJBLGY-UHFFFAOYSA-N 1 0 331.504 2.841 10 10 EFCERO Cc1cc(C)c(O)c(C[NH+]2CCC(c3nnc4n3CCC4)CC2)c1 ZINC000754723755 575477534 /nfs/dbraw/zinc/47/75/34/575477534.db2.gz UHMASDUFEUAAGV-UHFFFAOYSA-N 1 0 326.444 2.926 10 10 EFCERO C[C@@H]([NH2+]CCCN1CCCS1(=O)=O)c1ccc2ccccc2c1O ZINC000756686600 575776971 /nfs/dbraw/zinc/77/69/71/575776971.db2.gz JFABLPWMZNPHJC-CQSZACIVSA-N 1 0 348.468 2.622 10 10 EFCERO C[C@H]([NH2+]C1CCC(C(N)=O)CC1)c1ccc(Br)cc1O ZINC000756705719 575778999 /nfs/dbraw/zinc/77/89/99/575778999.db2.gz OOBBLACSUGOPDU-BMQDGWLCSA-N 1 0 341.249 2.849 10 10 EFCERO CCN(CC)c1ccc(C[N@H+](C)C[C@@H](C)CS(C)(=O)=O)cc1 ZINC000757798205 575853278 /nfs/dbraw/zinc/85/32/78/575853278.db2.gz CVQDWUQZFDEMJC-OAHLLOKOSA-N 1 0 326.506 2.645 10 10 EFCERO CCN(CC)c1ccc(C[N@H+](C)C[C@H](C)CS(C)(=O)=O)cc1 ZINC000757798203 575853336 /nfs/dbraw/zinc/85/33/36/575853336.db2.gz CVQDWUQZFDEMJC-HNNXBMFYSA-N 1 0 326.506 2.645 10 10 EFCERO CCc1ccc(C[NH2+]CCN2CCN(c3ccc(OC)cc3)CC2)o1 ZINC000760662141 576058909 /nfs/dbraw/zinc/05/89/09/576058909.db2.gz HKFGQSVEYMHDOA-UHFFFAOYSA-N 1 0 343.471 2.762 10 10 EFCERO O=C1c2ccccc2C(=O)N1CC[NH2+]CCCSc1nccs1 ZINC000760953190 576093420 /nfs/dbraw/zinc/09/34/20/576093420.db2.gz GYZDOPGPCONGAZ-UHFFFAOYSA-N 1 0 347.465 2.511 10 10 EFCERO COc1cc(Br)cc(C[NH2+][C@H]2CCOC[C@@H]2C)c1O ZINC000762485980 576306626 /nfs/dbraw/zinc/30/66/26/576306626.db2.gz LREAKGZUBDZVQK-CABZTGNLSA-N 1 0 330.222 2.678 10 10 EFCERO COc1ccc2ccc(O)c(C[N@@H+]3CCN4C(=O)OCC[C@H]4C3)c2c1 ZINC000763313784 576372124 /nfs/dbraw/zinc/37/21/24/576372124.db2.gz JWLATWUEWKAYCN-AWEZNQCLSA-N 1 0 342.395 2.581 10 10 EFCERO CC[S@](=O)CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765938671 577089995 /nfs/dbraw/zinc/08/99/95/577089995.db2.gz ABQDNMCKEOYENH-XMHCIUCPSA-N 1 0 344.908 2.596 10 10 EFCERO C[C@@]1(c2ccccc2)CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768464040 577275948 /nfs/dbraw/zinc/27/59/48/577275948.db2.gz MTBCDYWWTMNZLM-UYAOXDASSA-N 1 0 325.408 2.982 10 10 EFCERO c1csc(CNCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC000768669203 577293732 /nfs/dbraw/zinc/29/37/32/577293732.db2.gz FJVSCSRIEHJSQM-UHFFFAOYSA-N 1 0 342.512 2.965 10 10 EFCERO COc1cccc(O)c1C[NH+]1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000769225726 577345785 /nfs/dbraw/zinc/34/57/85/577345785.db2.gz PKRITRQBIZIPQS-CQSZACIVSA-N 1 0 334.460 2.774 10 10 EFCERO COCCOC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000769662356 577377244 /nfs/dbraw/zinc/37/72/44/577377244.db2.gz AAIGTYSLUOHJBH-UHFFFAOYSA-N 1 0 330.428 2.597 10 10 EFCERO COCCCOC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000769664106 577377309 /nfs/dbraw/zinc/37/73/09/577377309.db2.gz WSPYKPNTMAIWCM-UHFFFAOYSA-N 1 0 344.455 2.988 10 10 EFCERO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000770374333 577413475 /nfs/dbraw/zinc/41/34/75/577413475.db2.gz LTOBTJLPCDLLGF-RBUKOAKNSA-N 1 0 330.472 2.772 10 10 EFCERO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000770374331 577413507 /nfs/dbraw/zinc/41/35/07/577413507.db2.gz LTOBTJLPCDLLGF-MOPGFXCFSA-N 1 0 330.472 2.772 10 10 EFCERO COc1cccc(CNc2ccc(C[NH+]3CCC(O)CC3)cc2)c1O ZINC000770410979 577416364 /nfs/dbraw/zinc/41/63/64/577416364.db2.gz AEMQZPIBIDKBNH-UHFFFAOYSA-N 1 0 342.439 2.970 10 10 EFCERO C[C@H](NC(=O)NCC[N@@H+]1CCCC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000773216704 581406257 /nfs/dbraw/zinc/40/62/57/581406257.db2.gz BJJQSKBABKHEBF-CVEARBPZSA-N 1 0 332.492 2.987 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)c2cn(C(C)C)cn2)cc1C ZINC001691409036 1248746969 /nfs/dbraw/zinc/74/69/69/1248746969.db2.gz UDVIRXLDYJGLHF-UHFFFAOYSA-N 1 0 344.459 2.643 10 10 EFCERO CNC(=O)[C@H]1CCCCN1Cc1cc(C)cc(Br)c1O ZINC000781897740 1249551022 /nfs/dbraw/zinc/55/10/22/1249551022.db2.gz SNNMFIIMOOMXEJ-CYBMUJFWSA-N 1 0 341.249 2.564 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)CC[C@@H]2CCCCO2)cc1C ZINC001691497728 1249707726 /nfs/dbraw/zinc/70/77/26/1249707726.db2.gz MGOLMQUTKHROBF-SFHVURJKSA-N 1 0 348.487 2.901 10 10 EFCERO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000850033760 1250235151 /nfs/dbraw/zinc/23/51/51/1250235151.db2.gz DQFRFKXIGCAEAF-KBRIMQKVSA-N 1 0 334.485 2.527 10 10 EFCERO COC(OC)[C@@H](C)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000922310095 1265444024 /nfs/dbraw/zinc/44/40/24/1265444024.db2.gz BGEABKWCVDBLIC-CYBMUJFWSA-N 1 0 337.420 2.682 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)COC(C)(C)C)C2)cc1C ZINC001691090213 1248390839 /nfs/dbraw/zinc/39/08/39/1248390839.db2.gz GQGYBVAZGVZVSG-CALCHBBNSA-N 1 0 348.487 2.803 10 10 EFCERO COCC(=O)N1CCC[C@H](C)[C@H]1CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001691286421 1248600903 /nfs/dbraw/zinc/60/09/03/1248600903.db2.gz VVZHUUMFVWULLM-MAUKXSAKSA-N 1 0 348.487 2.757 10 10 EFCERO CCOc1ccc(C[NH2+]Cc2ccc(CNC(C)=O)cc2)c(O)c1 ZINC000850343737 1250438456 /nfs/dbraw/zinc/43/84/56/1250438456.db2.gz WEAHHMFKXOLLDL-UHFFFAOYSA-N 1 0 328.412 2.717 10 10 EFCERO CC(=O)NCc1ccc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000850343722 1250438765 /nfs/dbraw/zinc/43/87/65/1250438765.db2.gz VUAITZIYHWPDCV-UHFFFAOYSA-N 1 0 329.419 2.818 10 10 EFCERO COc1cc(C[NH2+]C[C@H](OC)[C@@H]2CCOC2)c(O)c(C(C)(C)C)c1 ZINC000850341750 1250440345 /nfs/dbraw/zinc/44/03/45/1250440345.db2.gz DYQBCTBFDRNRCU-DYVFJYSZSA-N 1 0 337.460 2.839 10 10 EFCERO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2Cc3ccccc3N(C)C2=O)cc1 ZINC000850353047 1250445164 /nfs/dbraw/zinc/44/51/64/1250445164.db2.gz QVWAQBOKSQHUHM-OVKVCFKUSA-N 1 0 335.451 2.943 10 10 EFCERO COc1ccc(N2CCC([NH2+][C@@H]3C[C@@H](C)n4ncnc43)CC2)cc1 ZINC000850352620 1250445743 /nfs/dbraw/zinc/44/57/43/1250445743.db2.gz CJXKUJASJKQHIW-CXAGYDPISA-N 1 0 327.432 2.551 10 10 EFCERO Oc1cccc(Cl)c1C[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000850396653 1250465324 /nfs/dbraw/zinc/46/53/24/1250465324.db2.gz ZUQRMYRVDQNRAS-IAGOWNOFSA-N 1 0 336.863 2.779 10 10 EFCERO COc1cc(C)nc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000850406517 1250470073 /nfs/dbraw/zinc/47/00/73/1250470073.db2.gz KGROWZOSPCJIGE-UHFFFAOYSA-N 1 0 341.455 2.650 10 10 EFCERO C[C@@H](O)[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000850419866 1250477680 /nfs/dbraw/zinc/47/76/80/1250477680.db2.gz IEMLAEPAGWXBIR-QRWLVFNGSA-N 1 0 344.430 2.874 10 10 EFCERO C[C@H](O)[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000850419865 1250477817 /nfs/dbraw/zinc/47/78/17/1250477817.db2.gz IEMLAEPAGWXBIR-MGPUTAFESA-N 1 0 344.430 2.874 10 10 EFCERO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@H]3CCCSCC3)cc2)C1 ZINC000850424857 1250481659 /nfs/dbraw/zinc/48/16/59/1250481659.db2.gz HXYLKVAFTJQRBA-SJORKVTESA-N 1 0 347.528 2.764 10 10 EFCERO Cc1ccc([C@@H](C)[NH2+]CCC2(CS(C)(=O)=O)CC2)c(O)c1C ZINC000850485083 1250502685 /nfs/dbraw/zinc/50/26/85/1250502685.db2.gz BJQSOWXFSMWUOG-CQSZACIVSA-N 1 0 325.474 2.875 10 10 EFCERO CC[C@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1ccc(C)cc1O ZINC000850485600 1250503033 /nfs/dbraw/zinc/50/30/33/1250503033.db2.gz LXVKDKKFZFWZTF-HNNXBMFYSA-N 1 0 325.474 2.956 10 10 EFCERO C[C@H]1C[C@@H]([NH2+]CCC2(CS(C)(=O)=O)CC2)c2c1c(F)ccc2O ZINC000850485900 1250502803 /nfs/dbraw/zinc/50/28/03/1250502803.db2.gz OUDQXPQUBKCNFD-WCQYABFASA-N 1 0 341.448 2.884 10 10 EFCERO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)CC(=O)OC(C)(C)C)C2)cc1 ZINC000850488069 1250503970 /nfs/dbraw/zinc/50/39/70/1250503970.db2.gz KULRSXRZGQYJCS-LSDHHAIUSA-N 1 0 334.460 2.984 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](CO)C2CCC2)c1O ZINC000850487194 1250504353 /nfs/dbraw/zinc/50/43/53/1250504353.db2.gz GGRQILUMCWVUEC-RNCFNFMXSA-N 1 0 344.249 2.975 10 10 EFCERO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)Cc3ccc(OC)nc3)C2)cc1 ZINC000850487828 1250504493 /nfs/dbraw/zinc/50/44/93/1250504493.db2.gz PLCYSTGYHRHXFR-NVXWUHKLSA-N 1 0 341.455 2.898 10 10 EFCERO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850487912 1250504661 /nfs/dbraw/zinc/50/46/61/1250504661.db2.gz KBHKIUYDZNGNBA-HZPDHXFCSA-N 1 0 333.476 2.511 10 10 EFCERO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2Cc3ccccc3N(C)C2=O)c1 ZINC000850500261 1250511045 /nfs/dbraw/zinc/51/10/45/1250511045.db2.gz FAENPRNKYPNFTA-WBMJQRKESA-N 1 0 326.396 2.639 10 10 EFCERO C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1cc(F)cc(F)c1[O-] ZINC000850502022 1250513783 /nfs/dbraw/zinc/51/37/83/1250513783.db2.gz RJORWPGAPMRNFF-QWHCGFSZSA-N 1 0 329.435 2.593 10 10 EFCERO C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(F)cc1[O-] ZINC000850509706 1250515883 /nfs/dbraw/zinc/51/58/83/1250515883.db2.gz RCJXAQHWMMNKTR-KBXCAEBGSA-N 1 0 344.430 2.949 10 10 EFCERO C[C@H]([NH2+]CCO[C@H]1CC1(F)F)c1ccc(N2CCOCC2)cc1 ZINC000850519775 1250523598 /nfs/dbraw/zinc/52/35/98/1250523598.db2.gz QBXQQEIWGCRUEH-BBRMVZONSA-N 1 0 326.387 2.598 10 10 EFCERO C[C@H]([NH2+]CCN1C[C@H]2CCCCN2C1=O)c1cc(Cl)ccc1O ZINC000850562518 1250534438 /nfs/dbraw/zinc/53/44/38/1250534438.db2.gz NUKOKVVCAFRXFK-GXTWGEPZSA-N 1 0 337.851 2.986 10 10 EFCERO C[C@@H]([NH2+]CCN1C[C@H]2CCCCN2C1=O)c1cc(Cl)ccc1O ZINC000850562531 1250534815 /nfs/dbraw/zinc/53/48/15/1250534815.db2.gz NUKOKVVCAFRXFK-TZMCWYRMSA-N 1 0 337.851 2.986 10 10 EFCERO Cc1ccc([C@@H](C)[NH2+]CCN2C[C@@H]3CCCCN3C2=O)c(O)c1C ZINC000850561605 1250538002 /nfs/dbraw/zinc/53/80/02/1250538002.db2.gz KECWMSBQGIHMAM-CVEARBPZSA-N 1 0 331.460 2.950 10 10 EFCERO CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3ccc(N4CCC(O)CC4)cc3)C[C@H]2C1 ZINC000850567985 1250541466 /nfs/dbraw/zinc/54/14/66/1250541466.db2.gz NFHVWDOKVUXDDR-SKIWIACESA-N 1 0 344.499 2.941 10 10 EFCERO CC1CCN(c2ccc(CNC(=O)N3CC4CC3(C[NH3+])C4)cc2)CC1 ZINC000851656753 1251183128 /nfs/dbraw/zinc/18/31/28/1251183128.db2.gz PUDSUGAOENVFSJ-UHFFFAOYSA-N 1 0 342.487 2.556 10 10 EFCERO COc1ccc(N2CCC[N@H+](CCO[C@H]3CC3(F)F)CC2)cc1 ZINC000851733202 1251232929 /nfs/dbraw/zinc/23/29/29/1251232929.db2.gz NBPQPTJBWSKXHF-INIZCTEOSA-N 1 0 326.387 2.632 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)COc2ccsc2)cc1C ZINC001691556306 1251770936 /nfs/dbraw/zinc/77/09/36/1251770936.db2.gz UAOOKBRCFXHGJA-UHFFFAOYSA-N 1 0 348.468 2.692 10 10 EFCERO Fc1cc(C[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)ccc1N1CCOCC1 ZINC000921553852 1257262065 /nfs/dbraw/zinc/26/20/65/1257262065.db2.gz XMPJXSQIZGCVKF-FGTMMUONSA-N 1 0 348.462 2.957 10 10 EFCERO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000921583761 1257506765 /nfs/dbraw/zinc/50/67/65/1257506765.db2.gz ZZYIDSQTFVSTRT-GBESFXJTSA-N 1 0 330.472 2.818 10 10 EFCERO COc1ccc(C[NH2+]C[C@@]2(OC)CCSC2)cc1Cn1cccn1 ZINC000922571411 1266294638 /nfs/dbraw/zinc/29/46/38/1266294638.db2.gz SWBODLNAOUKNQG-SFHVURJKSA-N 1 0 347.484 2.552 10 10 EFCERO Cc1cc(Br)c(O)c(CN2CC[NH2+]C[C@@](C)(F)C2)c1 ZINC000843125427 1260535344 /nfs/dbraw/zinc/53/53/44/1260535344.db2.gz WEXVSXYFEXKVHE-CQSZACIVSA-N 1 0 331.229 2.597 10 10 EFCERO Brc1c[nH]c(C[NH2+]CCCSc2nccs2)n1 ZINC000921755174 1261365423 /nfs/dbraw/zinc/36/54/23/1261365423.db2.gz QFFQQVWLTCJLJE-UHFFFAOYSA-N 1 0 333.280 2.901 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)CC(C)(F)F)cc1C ZINC001485918456 1262497903 /nfs/dbraw/zinc/49/79/03/1262497903.db2.gz BJBRFRSYYDXGJK-ZDUSSCGKSA-N 1 0 328.403 2.985 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)CC(C)(F)F)cc1C ZINC001485918455 1262498444 /nfs/dbraw/zinc/49/84/44/1262498444.db2.gz BJBRFRSYYDXGJK-CYBMUJFWSA-N 1 0 328.403 2.985 10 10 EFCERO C[C@@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C[C@H]1C[NH3+] ZINC000715769570 1264919709 /nfs/dbraw/zinc/91/97/09/1264919709.db2.gz LZZIRNMDTVCAMQ-MWLCHTKSSA-N 1 0 331.229 2.711 10 10 EFCERO O=C1C[C@H](CC[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)CN1 ZINC000922779036 1266771033 /nfs/dbraw/zinc/77/10/33/1266771033.db2.gz RBILYWOOMUAHBY-IBGZPJMESA-N 1 0 349.478 2.865 10 10 EFCERO COC(=O)c1cnc(CC[NH2+]Cc2c(O)cccc2Cl)s1 ZINC000922834069 1266958032 /nfs/dbraw/zinc/95/80/32/1266958032.db2.gz DYMGIQGQRFXZRH-UHFFFAOYSA-N 1 0 326.805 2.621 10 10 EFCERO CCN(CC)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc1 ZINC000922852468 1267043993 /nfs/dbraw/zinc/04/39/93/1267043993.db2.gz SWJRVJVSHPTKMR-ZNXRZULTSA-N 1 0 336.501 2.731 10 10 EFCERO CN(C)c1cc(F)c(C[NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)cc1F ZINC000922870830 1267069684 /nfs/dbraw/zinc/06/96/84/1267069684.db2.gz LZYUDDFQJPUXSJ-XGHVKYEFSA-N 1 0 326.387 2.803 10 10 EFCERO Cn1cc(Br)c(CNCc2cc(Cl)c(F)cc2[O-])n1 ZINC000824783878 1278307359 /nfs/dbraw/zinc/30/73/59/1278307359.db2.gz WHGWDJQLPIIWIY-UHFFFAOYSA-N 1 0 348.603 2.971 10 10 EFCERO [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000825124756 1278419310 /nfs/dbraw/zinc/41/93/10/1278419310.db2.gz XJYJZLMNMPKLLG-KRTXAFLBSA-N 1 0 327.705 2.930 10 10 EFCERO COC[C@H]1CC[N@H+](Cc2c(O)c(C(=O)OC)cc3ccccc32)C1 ZINC000739874914 1268769858 /nfs/dbraw/zinc/76/98/58/1268769858.db2.gz YEZROWXEOBDPMC-ZDUSSCGKSA-N 1 0 329.396 2.800 10 10 EFCERO Cc1cc(C[N@H+](C)C[C@@H]2CCS(=O)(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000740864233 1269140653 /nfs/dbraw/zinc/14/06/53/1269140653.db2.gz ALMVYOWKIYJFJS-AWEZNQCLSA-N 1 0 339.501 2.865 10 10 EFCERO CCOc1ccc(C[NH+]2CCN(c3ccc(OC)cn3)CC2)c(O)c1 ZINC000825305539 1278500272 /nfs/dbraw/zinc/50/02/72/1278500272.db2.gz MSQSLXKTYPZRBC-UHFFFAOYSA-N 1 0 343.427 2.517 10 10 EFCERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(N(C)C)cc2C)[C@@H](C)C1 ZINC000746329027 1272044651 /nfs/dbraw/zinc/04/46/51/1272044651.db2.gz BOWBTYNOVVXXPQ-LPHOPBHVSA-N 1 0 346.519 2.933 10 10 EFCERO OC1CCN(c2ccc(C[NH2+][C@H](C3CC3)[C@@H]3CCCOC3)cc2)CC1 ZINC000922895977 1272734095 /nfs/dbraw/zinc/73/40/95/1272734095.db2.gz MMKOEHDJTXEUNI-WIYYLYMNSA-N 1 0 344.499 2.943 10 10 EFCERO CCN(CC)c1ccc(C[N@H+](C)C[C@@H]2CN(C3CC3)C(=O)O2)cc1 ZINC000844271479 1278844329 /nfs/dbraw/zinc/84/43/29/1278844329.db2.gz QJGBTYLPFXWBGR-GOSISDBHSA-N 1 0 331.460 2.948 10 10 EFCERO Oc1cc(Br)ccc1C[NH2+]CC(O)(C1CC1)C1CC1 ZINC000691468521 1274381809 /nfs/dbraw/zinc/38/18/09/1274381809.db2.gz UWQNWCJOAFQLON-UHFFFAOYSA-N 1 0 326.234 2.795 10 10 EFCERO COCC[N@H+](Cc1cc(Br)cc(C)c1O)[C@H]1CCOC1 ZINC000787335503 1275748669 /nfs/dbraw/zinc/74/86/69/1275748669.db2.gz SWMVMQIWRXGXBB-AWEZNQCLSA-N 1 0 344.249 2.700 10 10 EFCERO COCC[N@H+](Cc1scnc1C)Cc1cc2c(cc1O)OCO2 ZINC000787310216 1275753482 /nfs/dbraw/zinc/75/34/82/1275753482.db2.gz NPOBSNZVGFLIKA-UHFFFAOYSA-N 1 0 336.413 2.534 10 10 EFCERO C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1cc(Br)cc(F)c1[O-] ZINC000817971262 1276414748 /nfs/dbraw/zinc/41/47/48/1276414748.db2.gz LLDFHRGWQSPEKP-VYUIOLGVSA-N 1 0 331.229 2.942 10 10 EFCERO NC(=O)CC1([NH2+]Cc2ccc(OCc3ccccc3)cc2O)CCC1 ZINC000789552374 1276814380 /nfs/dbraw/zinc/81/43/80/1276814380.db2.gz DXIWYDUVKYQODC-UHFFFAOYSA-N 1 0 340.423 2.859 10 10 EFCERO Cc1cc(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)ccc1N(C)C ZINC000815054626 1287270783 /nfs/dbraw/zinc/27/07/83/1287270783.db2.gz JQSCRDGVZSWVAV-LJQANCHMSA-N 1 0 331.504 2.748 10 10 EFCERO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3cccc(O)c3O)cccc21 ZINC000790243151 1277370756 /nfs/dbraw/zinc/37/07/56/1277370756.db2.gz SDSMIFLIPWXFKV-AWEZNQCLSA-N 1 0 328.368 2.735 10 10 EFCERO Cc1cc(CN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)ccc1N(C)C ZINC000815041918 1287284000 /nfs/dbraw/zinc/28/40/00/1287284000.db2.gz FQJWWEKFZOSXIN-HXUWFJFHSA-N 1 0 344.547 2.663 10 10 EFCERO CCN(CC)c1ccc(C[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)cc1F ZINC000790618887 1277700493 /nfs/dbraw/zinc/70/04/93/1277700493.db2.gz JPCPZGFATXZGHI-CRAIPNDOSA-N 1 0 340.483 2.920 10 10 EFCERO Cc1ccncc1C[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000793339746 1279559682 /nfs/dbraw/zinc/55/96/82/1279559682.db2.gz MECCRZKNXWYOPC-UHFFFAOYSA-N 1 0 329.419 2.998 10 10 EFCERO CC[N@H+](Cc1cc(OC)ccc1O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000793603547 1279765891 /nfs/dbraw/zinc/76/58/91/1279765891.db2.gz BHHGPSPHZZMWBW-UHFFFAOYSA-N 1 0 336.432 2.842 10 10 EFCERO CCOc1ccc(O)c(C[NH2+]C[C@@]2(CO)CCc3ccccc32)c1 ZINC000846011284 1279975941 /nfs/dbraw/zinc/97/59/41/1279975941.db2.gz LNFHBSAJNWRRLN-HXUWFJFHSA-N 1 0 327.424 2.757 10 10 EFCERO COc1cc(O)c(C[NH2+][C@@H](c2ccccc2F)[C@@H](C)O)cc1OC ZINC000846015730 1279978461 /nfs/dbraw/zinc/97/84/61/1279978461.db2.gz DDFCGNKAKFFADB-ADLMAVQZSA-N 1 0 335.375 2.760 10 10 EFCERO COc1cc(O)c(C[NH2+][C@H](C)[C@](C)(O)c2ccccc2)cc1OC ZINC000846037349 1279996172 /nfs/dbraw/zinc/99/61/72/1279996172.db2.gz MQYHKDOEGKSUDE-YJYMSZOUSA-N 1 0 331.412 2.795 10 10 EFCERO CN(Cc1cccs1)c1ccc(C[NH2+][C@H]2C[C@@H](C(N)=O)C2)cc1 ZINC000846046297 1279999325 /nfs/dbraw/zinc/99/93/25/1279999325.db2.gz DUYODRDNPLHLGQ-GASCZTMLSA-N 1 0 329.469 2.738 10 10 EFCERO Oc1cc(OCc2ccccc2)ccc1C[NH2+]CC[C@@]1(O)CCOC1 ZINC000846050186 1280001247 /nfs/dbraw/zinc/00/12/47/1280001247.db2.gz RVALYMQSONXKAW-HXUWFJFHSA-N 1 0 343.423 2.602 10 10 EFCERO Oc1cc(OCc2ccccc2)ccc1C[NH2+]CC[C@]1(O)CCOC1 ZINC000846050185 1280002875 /nfs/dbraw/zinc/00/28/75/1280002875.db2.gz RVALYMQSONXKAW-FQEVSTJZSA-N 1 0 343.423 2.602 10 10 EFCERO CCOc1cccc(C[NH2+][C@H]2CCCc3c2ccc(=O)n3C)c1O ZINC000846110730 1280020601 /nfs/dbraw/zinc/02/06/01/1280020601.db2.gz ZJKNLIXPIDJUQY-HNNXBMFYSA-N 1 0 328.412 2.657 10 10 EFCERO COc1cc(Cl)cc(C[NH2+][C@H]2CCCc3c2ccc(=O)n3C)c1O ZINC000846123703 1280027467 /nfs/dbraw/zinc/02/74/67/1280027467.db2.gz VHQVIRPYHJEPAL-AWEZNQCLSA-N 1 0 348.830 2.920 10 10 EFCERO COc1cc(Cl)cc(C[NH2+][C@@H]2CCCc3c2ccc(=O)n3C)c1O ZINC000846123704 1280027792 /nfs/dbraw/zinc/02/77/92/1280027792.db2.gz VHQVIRPYHJEPAL-CQSZACIVSA-N 1 0 348.830 2.920 10 10 EFCERO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)c2cccc(OC)c2O)C1 ZINC000846165160 1280044110 /nfs/dbraw/zinc/04/41/10/1280044110.db2.gz SYAAAXJBTZJIFC-RDBSUJKOSA-N 1 0 336.432 2.918 10 10 EFCERO COc1cccc([C@H](C)NCc2nn(C)cc2Br)c1O ZINC000846167730 1280045373 /nfs/dbraw/zinc/04/53/73/1280045373.db2.gz CJHOYJJGOCMVBB-VIFPVBQESA-N 1 0 340.221 2.748 10 10 EFCERO COc1cccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ncccn3)C2)c1O ZINC000846140568 1280049928 /nfs/dbraw/zinc/04/99/28/1280049928.db2.gz AQGPYIBTQMIVOP-ZIAGYGMSSA-N 1 0 328.416 2.510 10 10 EFCERO COc1cccc([C@H](C)[NH2+][C@@H]2CCCN(c3ncccn3)C2)c1O ZINC000846140567 1280050126 /nfs/dbraw/zinc/05/01/26/1280050126.db2.gz AQGPYIBTQMIVOP-UONOGXRCSA-N 1 0 328.416 2.510 10 10 EFCERO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCC1(C[NH3+])CC1 ZINC000846186965 1280064252 /nfs/dbraw/zinc/06/42/52/1280064252.db2.gz ICGCQSVVSPYHRN-UHFFFAOYSA-N 1 0 344.503 2.947 10 10 EFCERO CCN(CC)c1ccc(CNC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)cc1F ZINC000846672257 1280392990 /nfs/dbraw/zinc/39/29/90/1280392990.db2.gz FBISZTWIWUOOCQ-SJORKVTESA-N 1 0 333.451 2.819 10 10 EFCERO COc1ccc(NC(=O)C[NH2+][C@H](C)c2ccccc2O)c([N+](=O)[O-])c1 ZINC001175419225 1287421790 /nfs/dbraw/zinc/42/17/90/1287421790.db2.gz UCRKCVYHXXZYDF-LLVKDONJSA-N 1 0 345.355 2.598 10 10 EFCERO CCN(CC)c1ccc(C[NH2+]C[C@@H](O)C[C@](C)(O)C2CC2)cc1F ZINC000872200913 1287473731 /nfs/dbraw/zinc/47/37/31/1287473731.db2.gz ODKGRRSJSVDPNZ-LPHOPBHVSA-N 1 0 338.467 2.674 10 10 EFCERO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C3CCCC3)C2)cc1 ZINC001171332319 1281559682 /nfs/dbraw/zinc/55/96/82/1281559682.db2.gz OHKFMKBAKFTWKL-GOSISDBHSA-N 1 0 329.488 2.881 10 10 EFCERO O=C(CC(F)(F)F)NC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000809690209 1282374833 /nfs/dbraw/zinc/37/48/33/1282374833.db2.gz KIQWWJIYLXWSNE-LLVKDONJSA-N 1 0 348.340 2.812 10 10 EFCERO CN(C)c1ncc(C[NH2+]Cc2cc(Br)ccc2O)s1 ZINC000809712840 1282422195 /nfs/dbraw/zinc/42/21/95/1282422195.db2.gz VYURIQODONKCEY-UHFFFAOYSA-N 1 0 342.262 2.967 10 10 EFCERO COC(=O)c1ccc(C[NH2+]Cc2cc(F)ccc2O)nc1C1CC1 ZINC000809758926 1282462994 /nfs/dbraw/zinc/46/29/94/1282462994.db2.gz YFONOTUOPKOOJS-UHFFFAOYSA-N 1 0 330.359 2.880 10 10 EFCERO COc1ccc(O)c([C@H](C)NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)c1 ZINC000810347969 1283169141 /nfs/dbraw/zinc/16/91/41/1283169141.db2.gz OVVXSSVTRRYCCB-KPZWWZAWSA-N 1 0 338.423 2.791 10 10 EFCERO COCC[C@H](COC)[NH2+]Cc1cc(Br)cc(C)c1O ZINC000811517684 1284368995 /nfs/dbraw/zinc/36/89/95/1284368995.db2.gz ZKYBYIHOVLYRAD-CYBMUJFWSA-N 1 0 332.238 2.604 10 10 EFCERO CO[C@@H](C)c1nsc(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000812346029 1285091238 /nfs/dbraw/zinc/09/12/38/1285091238.db2.gz BLFDBYWSIGKCIB-ZDUSSCGKSA-N 1 0 347.488 2.609 10 10 EFCERO CCOC(=O)CCC1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000747817197 1285409555 /nfs/dbraw/zinc/40/95/55/1285409555.db2.gz UGWRQDOVRMOZKD-UHFFFAOYSA-N 1 0 335.400 2.676 10 10 EFCERO CC1(C)[C@@H](O)CC[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000812778961 1285411946 /nfs/dbraw/zinc/41/19/46/1285411946.db2.gz RVZBTDXUPOKBAM-KRWDZBQOSA-N 1 0 333.432 2.930 10 10 EFCERO Cc1cc(Br)cc(CN2CC[C@H]3C[N@@H+](C)C[C@@H]32)c1O ZINC000814173938 1286356646 /nfs/dbraw/zinc/35/66/46/1286356646.db2.gz TVLSHHXTNPVXSL-FZMZJTMJSA-N 1 0 325.250 2.599 10 10 EFCERO CC[NH+](CC)[C@H](C(=O)NCc1cc(O)ccc1O)c1ccccc1 ZINC001176748686 1288093792 /nfs/dbraw/zinc/09/37/92/1288093792.db2.gz ZOIICGHDYROABP-SFHVURJKSA-N 1 0 328.412 2.797 10 10 EFCERO CCn1nc2c(cc1=O)C[N@@H+](Cc1ccc3ccccc3c1O)CC2 ZINC000816516766 1288186119 /nfs/dbraw/zinc/18/61/19/1288186119.db2.gz PPGKUYJVYOUYQN-UHFFFAOYSA-N 1 0 335.407 2.680 10 10 EFCERO CNC(=O)[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000817415283 1288591545 /nfs/dbraw/zinc/59/15/45/1288591545.db2.gz QFKFMDNDMJXZDI-HXUWFJFHSA-N 1 0 349.478 2.817 10 10 EFCERO COc1cc(Br)cc(C[N@@H+]2C[C@@H](O)CC[C@H]2C)c1O ZINC000817413845 1288591839 /nfs/dbraw/zinc/59/18/39/1288591839.db2.gz BGXJROCPHLJSEC-SKDRFNHKSA-N 1 0 330.222 2.509 10 10 EFCERO CNC(=O)[C@@H]1CC[N@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000817414331 1288592090 /nfs/dbraw/zinc/59/20/90/1288592090.db2.gz FMYKPIIOGUYZHH-MRXNPFEDSA-N 1 0 343.496 2.952 10 10 EFCERO CC(C)[N@@H+](Cc1ccc(OCc2ccccc2)cc1O)C[C@@H](O)CO ZINC000817417842 1288594124 /nfs/dbraw/zinc/59/41/24/1288594124.db2.gz SRITZUMTGDGTIP-GOSISDBHSA-N 1 0 345.439 2.535 10 10 EFCERO COCC1([NH2+]CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCCCC1 ZINC000852770877 1299879073 /nfs/dbraw/zinc/87/90/73/1299879073.db2.gz DPOPEDCGSKFRCD-UHFFFAOYSA-N 1 0 347.503 2.650 10 10 EFCERO COc1ccc(N2CCN(CCC[NH2+][C@@H]3CC[C@H]3SC)CC2)cc1 ZINC000822451548 1288993874 /nfs/dbraw/zinc/99/38/74/1288993874.db2.gz LPWZEYPZDYCLBD-RTBURBONSA-N 1 0 349.544 2.691 10 10 EFCERO COC(=O)CC1CC([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000822480743 1289005598 /nfs/dbraw/zinc/00/55/98/1289005598.db2.gz FRYIPLIBIMJQLB-UHFFFAOYSA-N 1 0 328.206 2.586 10 10 EFCERO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](CN3CCOC3=O)C2)cc1 ZINC000824451090 1289655131 /nfs/dbraw/zinc/65/51/31/1289655131.db2.gz HBQJLVLNAZBXTE-KRWDZBQOSA-N 1 0 331.460 2.807 10 10 EFCERO Oc1ccccc1C[N@@H+](Cc1cnn2c1CCC2)C[C@H]1CCCO1 ZINC000824509534 1289693213 /nfs/dbraw/zinc/69/32/13/1289693213.db2.gz ZZZBHJGSQJTVDJ-QGZVFWFLSA-N 1 0 327.428 2.716 10 10 EFCERO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cc(Br)cc(OC)c1O ZINC000824635355 1289732053 /nfs/dbraw/zinc/73/20/53/1289732053.db2.gz HKLBZGPCZKMHJN-GXFFZTMASA-N 1 0 344.249 2.756 10 10 EFCERO COc1ccc2ccc(O)c(C[N@@H+]3CCO[C@@]4(CCCOC4)C3)c2c1 ZINC000795633707 1290706366 /nfs/dbraw/zinc/70/63/66/1290706366.db2.gz UUNDMLVKLQLJGN-FQEVSTJZSA-N 1 0 343.423 2.935 10 10 EFCERO COc1c([O-])c(C[NH2+]C[C@@]2(O)CCCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000775096883 1291116169 /nfs/dbraw/zinc/11/61/69/1291116169.db2.gz FFZJBYFSTOIUBY-QGZVFWFLSA-N 1 0 338.404 2.730 10 10 EFCERO CN(C)c1ccc(CN(C)C(=O)[C@H](C[NH3+])c2ccc(F)cc2)cc1 ZINC000825942860 1291146893 /nfs/dbraw/zinc/14/68/93/1291146893.db2.gz MZBNCXZSXYQKBP-GOSISDBHSA-N 1 0 329.419 2.593 10 10 EFCERO Cc1cc([C@@H]([NH3+])CC(=O)NCc2ccc(N(C)C)cc2)cc(Cl)n1 ZINC000825973520 1291253745 /nfs/dbraw/zinc/25/37/45/1291253745.db2.gz JSHPNVXVHUKTFT-INIZCTEOSA-N 1 0 346.862 2.816 10 10 EFCERO COCCCOC1CN(Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000826113464 1292204868 /nfs/dbraw/zinc/20/48/68/1292204868.db2.gz MHRQRHFSWBNYQE-UHFFFAOYSA-N 1 0 337.460 2.936 10 10 EFCERO CCO[C@H]1C[C@H]([N@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)C1(C)C ZINC001191165876 1292487302 /nfs/dbraw/zinc/48/73/02/1292487302.db2.gz YWZYXLHZOTYIHF-ROUUACIJSA-N 1 0 347.503 2.504 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CCCCO2)cc1C ZINC001277792926 1312960111 /nfs/dbraw/zinc/96/01/11/1312960111.db2.gz MARIQMKUUGIVDD-QAPCUYQASA-N 1 0 334.460 2.509 10 10 EFCERO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)c2cc(OC)ccc2O)C1 ZINC000775582707 1293217349 /nfs/dbraw/zinc/21/73/49/1293217349.db2.gz XXAZRXZHNHISAB-RDBSUJKOSA-N 1 0 336.432 2.918 10 10 EFCERO Oc1cc2c(cc1C[NH2+]CC[C@@H]1CCC3(CCOCC3)CO1)OCO2 ZINC000886301188 1294834007 /nfs/dbraw/zinc/83/40/07/1294834007.db2.gz YYZRSAWQEIXNKX-HNNXBMFYSA-N 1 0 349.427 2.576 10 10 EFCERO CC(C)[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1cnn(C)c1 ZINC000886507272 1294998952 /nfs/dbraw/zinc/99/89/52/1294998952.db2.gz CVBMOHYXMWPRON-IBGZPJMESA-N 1 0 346.450 2.883 10 10 EFCERO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@]12CCC[C@H]1OCC2 ZINC001198791816 1295260460 /nfs/dbraw/zinc/26/04/60/1295260460.db2.gz ZQGIYHCKQJCSNH-WOJBJXKFSA-N 1 0 330.472 2.914 10 10 EFCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCC[C@@H]2OC)cc1C ZINC001274141510 1295501763 /nfs/dbraw/zinc/50/17/63/1295501763.db2.gz IMBYYACZCVMODF-JSDWAPGTSA-N 1 0 346.471 2.581 10 10 EFCERO Cc1cc(Br)c(O)c(CN2CC[N@@H+](C)[C@@H](C)[C@@H]2C)c1 ZINC000775983199 1295570123 /nfs/dbraw/zinc/57/01/23/1295570123.db2.gz BKMKWDNGJXULKU-RYUDHWBXSA-N 1 0 327.266 2.988 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2oc(C)nc2C)cc1C ZINC001274716382 1296147281 /nfs/dbraw/zinc/14/72/81/1296147281.db2.gz QTTNYAYAGCWNGN-GFCCVEGCSA-N 1 0 331.416 2.517 10 10 EFCERO CCc1oncc1C(=O)N(C)CCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001276252968 1296679331 /nfs/dbraw/zinc/67/93/31/1296679331.db2.gz FKLHUZHOLWVMAQ-UHFFFAOYSA-N 1 0 345.443 2.806 10 10 EFCERO Cc1cccc(C[NH2+][C@]2(CO)CCCN(Cc3ccccc3)C2)c1O ZINC000776175092 1296814000 /nfs/dbraw/zinc/81/40/00/1296814000.db2.gz HCVHVDGIKDWSFF-OAQYLSRUSA-N 1 0 340.467 2.817 10 10 EFCERO Cc1ccc(O)c(CNC(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)c1 ZINC000925918894 1296887613 /nfs/dbraw/zinc/88/76/13/1296887613.db2.gz UCWCEWDRVKSGIC-KRWDZBQOSA-N 1 0 342.443 2.588 10 10 EFCERO COc1c(C)[nH]cc(C[N@H+](C)Cc2ccc(N(C)C)c(C)c2)c1=O ZINC000931328526 1297329053 /nfs/dbraw/zinc/32/90/53/1297329053.db2.gz RXJGNFNIJHNFBA-UHFFFAOYSA-N 1 0 329.444 2.698 10 10 EFCERO Cc1cc(Br)c([O-])c(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903974227 1313521567 /nfs/dbraw/zinc/52/15/67/1313521567.db2.gz MMYYNTHTPFZSKT-VXGBXAGGSA-N 1 0 327.266 2.798 10 10 EFCERO [NH3+][C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)C[C@H]1C(F)(F)F ZINC000903980076 1313529956 /nfs/dbraw/zinc/52/99/56/1313529956.db2.gz GFJWSNSLLPIFOG-HZPDHXFCSA-N 1 0 327.394 2.998 10 10 EFCERO COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000852413191 1299695425 /nfs/dbraw/zinc/69/54/25/1299695425.db2.gz PZVKGTDFVVLBRP-QWHCGFSZSA-N 1 0 335.448 2.634 10 10 EFCERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)NCc1cc(Cl)ccc1O ZINC000852414335 1299696421 /nfs/dbraw/zinc/69/64/21/1299696421.db2.gz NRLBMQVUQDDHAY-CYBMUJFWSA-N 1 0 325.840 2.718 10 10 EFCERO CC(=O)c1cc(F)cc(C[NH2+][C@H]2CCC[C@H]2Cc2cnn(C)c2)c1O ZINC000852562945 1299757444 /nfs/dbraw/zinc/75/74/44/1299757444.db2.gz NLVSMLXRRYBJQB-KSSFIOAISA-N 1 0 345.418 2.968 10 10 EFCERO COc1ccc(CNC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)c(O)c1 ZINC000852825013 1299903790 /nfs/dbraw/zinc/90/37/90/1299903790.db2.gz GLHPBEFWVQXYBT-OAHLLOKOSA-N 1 0 340.423 2.709 10 10 EFCERO COc1ccc(-n2c(C)cc(C(=O)NCC34CC(C3)C[NH2+]4)c2C)cc1 ZINC000852917402 1299938447 /nfs/dbraw/zinc/93/84/47/1299938447.db2.gz JBJCBELVKPUTSP-UHFFFAOYSA-N 1 0 339.439 2.585 10 10 EFCERO Cc1cc(CC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c(C)n1-c1ccccc1 ZINC000853302847 1300079570 /nfs/dbraw/zinc/07/95/70/1300079570.db2.gz KDWMQGXISUJPIK-HKUYNNGSSA-N 1 0 337.467 2.705 10 10 EFCERO Cc1cc(CC(=O)N2CCC[C@@H]([NH3+])[C@H]2C)c(C)n1-c1ccccc1 ZINC000853304530 1300081805 /nfs/dbraw/zinc/08/18/05/1300081805.db2.gz QOFZJWZYTUSSHR-VQIMIIECSA-N 1 0 325.456 2.975 10 10 EFCERO Oc1cc2c(cc1C[N@@H+]1CC3(CCC3)[C@@H]1c1ccncc1)[C@@H](O)CO2 ZINC000853632600 1300203544 /nfs/dbraw/zinc/20/35/44/1300203544.db2.gz HVXSBUOUGLYFSZ-HKUYNNGSSA-N 1 0 338.407 2.940 10 10 EFCERO CC[N@@H+]1CCCN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000853686464 1300228666 /nfs/dbraw/zinc/22/86/66/1300228666.db2.gz IJEYLYJBDKTVGE-LEJCZOIISA-N 1 0 347.415 2.702 10 10 EFCERO CCN(C(=O)NCCCSc1nccs1)[C@@H]1CC[N@H+](CC)C1 ZINC000853855872 1300310258 /nfs/dbraw/zinc/31/02/58/1300310258.db2.gz JDBCBQNYLLSOPK-CYBMUJFWSA-N 1 0 342.534 2.751 10 10 EFCERO COC(=O)c1cc2ccccc2c(C[N@@H+]2CCO[C@@H](C3CC3)C2)c1O ZINC000776768543 1300757989 /nfs/dbraw/zinc/75/79/89/1300757989.db2.gz PDKASJFITBPKKJ-GOSISDBHSA-N 1 0 341.407 2.943 10 10 EFCERO CCN(C(=O)c1cc(C)n(-c2ccccn2)c1C)[C@H]1CC[N@H+](C)C1 ZINC000855360747 1300928677 /nfs/dbraw/zinc/92/86/77/1300928677.db2.gz IQZIISNGRKXEAW-INIZCTEOSA-N 1 0 326.444 2.655 10 10 EFCERO CCN(C)c1ccc(C[N@@H+]2CC3(CCOCC3)CC[C@H]2CO)cc1 ZINC000859522968 1301482848 /nfs/dbraw/zinc/48/28/48/1301482848.db2.gz RFMSUGYEIJIZJT-IBGZPJMESA-N 1 0 332.488 2.896 10 10 EFCERO CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)cc1F ZINC000861573420 1302156914 /nfs/dbraw/zinc/15/69/14/1302156914.db2.gz HJVYVFKFEWIDRV-QGZVFWFLSA-N 1 0 348.466 2.756 10 10 EFCERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000861572990 1302156937 /nfs/dbraw/zinc/15/69/37/1302156937.db2.gz ALCVBZOXHAQDIV-JKSUJKDBSA-N 1 0 336.455 2.612 10 10 EFCERO CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2CC[NH2+]C23CCC3)cc1 ZINC000861662298 1302186796 /nfs/dbraw/zinc/18/67/96/1302186796.db2.gz SHGXDSMYIDOLSF-SFHVURJKSA-N 1 0 344.503 2.959 10 10 EFCERO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@H](c3ccnc(N)n3)C2)cc1F ZINC000862357748 1302346344 /nfs/dbraw/zinc/34/63/44/1302346344.db2.gz FRMLXAJLHLWEMG-LBPRGKRZSA-N 1 0 347.413 2.783 10 10 EFCERO CCOC(=O)c1cccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)n1 ZINC000862368238 1302352648 /nfs/dbraw/zinc/35/26/48/1302352648.db2.gz FPKMHUAGOCXTQB-GFCCVEGCSA-N 1 0 330.384 2.823 10 10 EFCERO CC(C)[N@@H+](Cc1cc(F)c(N(C)C)cc1F)C[C@@H]1CCC(=O)N1 ZINC000862394762 1302365881 /nfs/dbraw/zinc/36/58/81/1302365881.db2.gz QIDJMKICUHIXLQ-ZDUSSCGKSA-N 1 0 325.403 2.520 10 10 EFCERO COc1cc(O)c(C[NH2+][C@H]2COc3cccc(C)c3C2)cc1OC ZINC000862439593 1302386238 /nfs/dbraw/zinc/38/62/38/1302386238.db2.gz LHEDDTGWWHZDSM-CQSZACIVSA-N 1 0 329.396 2.811 10 10 EFCERO COC(=O)C1=CC[C@H]([NH2+]Cc2c(O)cccc2Br)C1 ZINC000862466721 1302389320 /nfs/dbraw/zinc/38/93/20/1302389320.db2.gz IZTWEQQIGIHORZ-JTQLQIEISA-N 1 0 326.190 2.506 10 10 EFCERO CCC1([NH+]2CCOCC2)CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000862535400 1302408045 /nfs/dbraw/zinc/40/80/45/1302408045.db2.gz LNXXTWMQZYAQRS-UHFFFAOYSA-N 1 0 349.494 2.969 10 10 EFCERO COC(=O)[C@@]1(OC)CC[N@H+](Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000863297378 1302580909 /nfs/dbraw/zinc/58/09/09/1302580909.db2.gz ZLKZNFCEGNZZSY-LJQANCHMSA-N 1 0 335.444 2.762 10 10 EFCERO CC[C@H]1C[N@H+](Cc2c(O)ccc3ccncc32)C[C@@]2(CCOC2)O1 ZINC000794694673 1302983878 /nfs/dbraw/zinc/98/38/78/1302983878.db2.gz PENOFECJDDOGQV-HNAYVOBHSA-N 1 0 328.412 2.710 10 10 EFCERO CCN(Cc1ccccc1)c1ccc(C[NH2+]C[C@](C)(O)CO)cc1 ZINC000794748846 1303048228 /nfs/dbraw/zinc/04/82/28/1303048228.db2.gz VGQZUPZAGWULAX-FQEVSTJZSA-N 1 0 328.456 2.546 10 10 EFCERO CC[C@@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1ccc(C)cc1O ZINC000794819220 1303182403 /nfs/dbraw/zinc/18/24/03/1303182403.db2.gz YLYSFAJGUCTEQU-MRXNPFEDSA-N 1 0 325.474 2.956 10 10 EFCERO COc1ccc(N2CC[C@H](C[NH2+]Cc3cn(C4CC4)cn3)C2)cc1 ZINC000865609525 1303331384 /nfs/dbraw/zinc/33/13/84/1303331384.db2.gz WSMHTXPZNLZEAL-OAHLLOKOSA-N 1 0 326.444 2.843 10 10 EFCERO CN(C)c1ccc(CNc2cnn(C3CC[NH+](C)CC3)c2)cc1F ZINC000865703913 1303372192 /nfs/dbraw/zinc/37/21/92/1303372192.db2.gz NVMUPUKJJWVXRP-UHFFFAOYSA-N 1 0 331.439 2.967 10 10 EFCERO CC(C)(C)OC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000865775397 1303395768 /nfs/dbraw/zinc/39/57/68/1303395768.db2.gz RJEWSENNUAMULW-CALCHBBNSA-N 1 0 346.471 2.733 10 10 EFCERO CN(C)c1ccc(CNC(=O)NC2CCC(C)([NH+](C)C)CC2)cc1 ZINC000866132823 1303538067 /nfs/dbraw/zinc/53/80/67/1303538067.db2.gz XNHBITQLWVWTJT-UHFFFAOYSA-N 1 0 332.492 2.815 10 10 EFCERO CC[C@@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)c1cc(Cl)ccc1O ZINC000866413226 1303628846 /nfs/dbraw/zinc/62/88/46/1303628846.db2.gz QGZDSCOKUNMOTJ-DZGCQCFKSA-N 1 0 326.868 2.932 10 10 EFCERO CC[C@H]([NH2+]Cc1nnc(C2CCOCC2)[nH]1)c1ccc(C)cc1O ZINC000866440256 1303640107 /nfs/dbraw/zinc/64/01/07/1303640107.db2.gz NMOLFGKOCOJYLR-HNNXBMFYSA-N 1 0 330.432 2.954 10 10 EFCERO C[C@H]([NH2+]Cc1ccc(CN2CCNC2=O)cc1)c1ccccc1O ZINC000866575629 1303694942 /nfs/dbraw/zinc/69/49/42/1303694942.db2.gz UVZNLTNNSPPNMK-AWEZNQCLSA-N 1 0 325.412 2.768 10 10 EFCERO CC[C@@H]1[C@@H](C(=O)NCc2cccc(Br)c2O)CC[N@@H+]1C ZINC000867830910 1303975995 /nfs/dbraw/zinc/97/59/95/1303975995.db2.gz LQNNWNYORZTDGW-WCQYABFASA-N 1 0 341.249 2.501 10 10 EFCERO COc1ccc(N2CCN(CC[NH2+][C@H]3CCC34CCC4)CC2)cc1 ZINC000800474121 1307920124 /nfs/dbraw/zinc/92/01/24/1307920124.db2.gz GIGCJKBYUDOSJB-IBGZPJMESA-N 1 0 329.488 2.740 10 10 EFCERO CCCCOCC(=O)N1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@@H]1C ZINC001278365112 1314286965 /nfs/dbraw/zinc/28/69/65/1314286965.db2.gz RHCZUUZGIGDASE-WMZOPIPTSA-N 1 0 348.487 2.899 10 10 EFCERO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H](F)C(C)C)C2)cc1C ZINC001277032965 1311505773 /nfs/dbraw/zinc/50/57/73/1311505773.db2.gz ITXAYTCQRRXPSH-BQFCYCMXSA-N 1 0 336.451 2.982 10 10 EFCERO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)C2=CCOCC2)cc1C ZINC001277172415 1311751089 /nfs/dbraw/zinc/75/10/89/1311751089.db2.gz UMWBXMYMXYJFOB-MRXNPFEDSA-N 1 0 346.471 2.725 10 10 EFCERO Oc1cc(OCc2ccccc2)ccc1CN1C[C@@H]2COC[C@H](C1)O2 ZINC000802656126 1311890371 /nfs/dbraw/zinc/89/03/71/1311890371.db2.gz FYQMQEZFLIMAHH-KDURUIRLSA-N 1 0 341.407 2.571 10 10 EFCERO CCCn1cc([C@H](C)[NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)nn1 ZINC000903046958 1312308890 /nfs/dbraw/zinc/30/88/90/1312308890.db2.gz DOGDHWOIZKVUAT-GJZGRUSLSA-N 1 0 329.448 2.626 10 10 EFCERO OC1CCN(c2ccc(C[NH2+][C@@H]3CC[C@@H]4[C@H]5OCC[C@H]5[C@@H]43)cc2)CC1 ZINC000903056714 1312314722 /nfs/dbraw/zinc/31/47/22/1312314722.db2.gz RJYRHXKBAXBVAR-WRTQPQOASA-N 1 0 342.483 2.551 10 10 EFCERO C[C@H]([NH2+]Cc1ccc(CS(=O)(=O)N(C)C)cc1)c1ccccc1O ZINC000903174771 1312430215 /nfs/dbraw/zinc/43/02/15/1312430215.db2.gz JHAMQSOIDTUNJE-AWEZNQCLSA-N 1 0 348.468 2.634 10 10 EFCERO COc1cccc([C@H](C)[NH2+]Cc2cn(C)nc2Br)c1O ZINC000903188504 1312443765 /nfs/dbraw/zinc/44/37/65/1312443765.db2.gz RZZQLJQXWWCINX-VIFPVBQESA-N 1 0 340.221 2.748 10 10 EFCERO C[C@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)c1cc(Br)ccc1O ZINC000903215823 1312470287 /nfs/dbraw/zinc/47/02/87/1312470287.db2.gz PDZJTJSGNZVSRT-QWRGUYRKSA-N 1 0 341.249 2.674 10 10 EFCERO CCOc1cc(NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)ncn1 ZINC001164317690 1312490864 /nfs/dbraw/zinc/49/08/64/1312490864.db2.gz GGLSWZFLSMQZIM-MRXNPFEDSA-N 1 0 329.448 2.656 10 10 EFCERO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000903301402 1312551575 /nfs/dbraw/zinc/55/15/75/1312551575.db2.gz QNPHXWJKJYJJPG-PMUMKWKESA-N 1 0 337.895 2.920 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)CC(C)(C)O)C2)cc1C ZINC001278559170 1315191869 /nfs/dbraw/zinc/19/18/69/1315191869.db2.gz ODPYCJCYWKAYPB-IAGOWNOFSA-N 1 0 348.487 2.539 10 10 EFCERO COc1cc(Br)cc(C[NH+]2C[C@H](C)C(O)[C@@H](C)C2)c1O ZINC000827151803 1315602121 /nfs/dbraw/zinc/60/21/21/1315602121.db2.gz KBXVCDURYGDOSD-UWVGGRQHSA-N 1 0 344.249 2.612 10 10 EFCERO Cc1cc(Br)cc(C[NH+]2C[C@H](C)C(O)[C@@H](C)C2)c1O ZINC000827151486 1315602191 /nfs/dbraw/zinc/60/21/91/1315602191.db2.gz CHVDRXYOAAZILO-QWRGUYRKSA-N 1 0 328.250 2.912 10 10 EFCERO COc1ccc(O)c(C[NH2+][C@H](c2ccncc2)C2(CO)CCC2)c1 ZINC000827941036 1316035812 /nfs/dbraw/zinc/03/58/12/1316035812.db2.gz BFTCPHMVGBHSSS-GOSISDBHSA-N 1 0 328.412 2.789 10 10 EFCERO CC[C@H](CNC(=O)c1ccsn1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001318538307 1328632930 /nfs/dbraw/zinc/63/29/30/1328632930.db2.gz QRRXBLVYLOGYCD-CQSZACIVSA-N 1 0 333.457 2.758 10 10 EFCERO CN1CCN(c2ccc(C[N@@H+]3CC[C@@]4(CC4(F)F)C3)cc2F)CC1 ZINC001261514413 1316416387 /nfs/dbraw/zinc/41/63/87/1316416387.db2.gz AQMCREHWWVMQGM-QGZVFWFLSA-N 1 0 339.405 2.809 10 10 EFCERO C[C@H]1C[C@@H]([NH2+]Cc2ccc(O)cc2O)CCN1C(=O)OC(C)(C)C ZINC000382721439 1316556485 /nfs/dbraw/zinc/55/64/85/1316556485.db2.gz OQTMELMYPJRFTL-JSGCOSHPSA-N 1 0 336.432 2.975 10 10 EFCERO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(O)cc2O)CC1 ZINC000382731309 1316556765 /nfs/dbraw/zinc/55/67/65/1316556765.db2.gz GZASXVCALHEBJN-CQSZACIVSA-N 1 0 336.432 2.977 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)C[C@@H]3CCCO3)C2)cc1C ZINC001264415689 1316613951 /nfs/dbraw/zinc/61/39/51/1316613951.db2.gz AOYQHPIGFLNKFU-BZSNNMDCSA-N 1 0 346.471 2.557 10 10 EFCERO CCO[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1)C(C)C ZINC001265430718 1316805086 /nfs/dbraw/zinc/80/50/86/1316805086.db2.gz GWPXYJYNXRMZOL-PKOBYXMFSA-N 1 0 348.487 2.755 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H](C)c2cccnc2)cc1C ZINC001265851922 1316892704 /nfs/dbraw/zinc/89/27/04/1316892704.db2.gz UNWFGPDHZWBDSD-CVEARBPZSA-N 1 0 341.455 2.797 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H](C)c2cccnc2)cc1C ZINC001265851924 1316892785 /nfs/dbraw/zinc/89/27/85/1316892785.db2.gz UNWFGPDHZWBDSD-HOTGVXAUSA-N 1 0 341.455 2.797 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)C[C@@H]2CCCCO2)cc1C ZINC001266136623 1317086581 /nfs/dbraw/zinc/08/65/81/1317086581.db2.gz GBMRPMWYGQGYNS-AEFFLSMTSA-N 1 0 348.487 2.947 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@]2(C)CCCOC2)cc1C ZINC001266181201 1317127796 /nfs/dbraw/zinc/12/77/96/1317127796.db2.gz XKTJHDNIOKUVTI-OXJNMPFZSA-N 1 0 348.487 2.805 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2oncc2C)cc1C ZINC001266181050 1317127878 /nfs/dbraw/zinc/12/78/78/1317127878.db2.gz TUXXTRVSNWRFGH-AWEZNQCLSA-N 1 0 331.416 2.598 10 10 EFCERO CCOCC(=O)N1CCC[C@H](CC[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001318759294 1328690926 /nfs/dbraw/zinc/69/09/26/1328690926.db2.gz FKFDTLYIBVAOMR-QGZVFWFLSA-N 1 0 348.487 2.758 10 10 EFCERO COCCCCC(=O)N1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H](C)C1 ZINC001281387213 1318247979 /nfs/dbraw/zinc/24/79/79/1318247979.db2.gz HXYVAKRBTHBQHA-WMZOPIPTSA-N 1 0 348.487 2.757 10 10 EFCERO COc1ccc(C[NH2+]C2(C)CCN(C(=O)C[C@H](C)OC)CC2)cc1C ZINC001281484332 1318353248 /nfs/dbraw/zinc/35/32/48/1318353248.db2.gz CXRKWCIDUORXDL-INIZCTEOSA-N 1 0 348.487 2.899 10 10 EFCERO C[C@@H](F)CC[NH2+][C@@H](C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001281768572 1318573951 /nfs/dbraw/zinc/57/39/51/1318573951.db2.gz PKHWGSDPUGSZDO-NEPJUHHUSA-N 1 0 337.399 2.695 10 10 EFCERO COc1ccc(C[NH2+]CC2CC(NC(=O)COC(C)(C)C)C2)cc1C ZINC001281998893 1318656488 /nfs/dbraw/zinc/65/64/88/1318656488.db2.gz KLMQFRNYRYPGHR-UHFFFAOYSA-N 1 0 348.487 2.803 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)Cc2ccc(C)o2)cc1C ZINC001319179453 1328797671 /nfs/dbraw/zinc/79/76/71/1328797671.db2.gz NXIMDKDAPJROLY-CQSZACIVSA-N 1 0 344.455 2.990 10 10 EFCERO CC[C@@H]1CCO[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001319202808 1328806692 /nfs/dbraw/zinc/80/66/92/1328806692.db2.gz UGVRXVUKHVOYRC-YJLNNSPDSA-N 1 0 348.487 2.661 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)Cc2occc2C)cc1C ZINC001319237529 1328816992 /nfs/dbraw/zinc/81/69/92/1328816992.db2.gz CWSHXTKQSSQKDO-CQSZACIVSA-N 1 0 344.455 2.990 10 10 EFCERO CCc1ocnc1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001283591896 1319861006 /nfs/dbraw/zinc/86/10/06/1319861006.db2.gz PEAIAJMUNSNFMY-CQSZACIVSA-N 1 0 345.443 2.804 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)C[C@H](C)OC)CCCC2)cc1C ZINC001319341038 1328857153 /nfs/dbraw/zinc/85/71/53/1328857153.db2.gz POROSAQNVWMUPA-INIZCTEOSA-N 1 0 348.487 2.947 10 10 EFCERO COCCCCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@H]1C ZINC001283867419 1320061602 /nfs/dbraw/zinc/06/16/02/1320061602.db2.gz UCMJILZZYSVJPT-SJLPKXTDSA-N 1 0 348.487 2.899 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C)CSC)cc1C ZINC001319438244 1328886207 /nfs/dbraw/zinc/88/62/07/1328886207.db2.gz YTOOMZCSTKTBIY-LSDHHAIUSA-N 1 0 338.517 2.939 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)c2cnco2)C(C)(C)C)cc1C ZINC001284614430 1320440778 /nfs/dbraw/zinc/44/07/78/1320440778.db2.gz QTBDWAOQMKXTRL-QGZVFWFLSA-N 1 0 345.443 2.926 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2[nH]ccc2C)cc1C ZINC001319456001 1328891583 /nfs/dbraw/zinc/89/15/83/1328891583.db2.gz ZKZFMCMWGJOYCZ-OAHLLOKOSA-N 1 0 329.444 2.890 10 10 EFCERO COc1ccc(C[NH2+]C2CC(N(C)C(=O)C[C@@H](C)OC)C2)cc1C ZINC001284750626 1320507606 /nfs/dbraw/zinc/50/76/06/1320507606.db2.gz GRUACQPUFUZUBK-ODIFPOPNSA-N 1 0 334.460 2.508 10 10 EFCERO COCC1(C(=O)N(C)[C@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)CCC1 ZINC001319498839 1328902893 /nfs/dbraw/zinc/90/28/93/1328902893.db2.gz RYAKGAWCDJCMGC-MRXNPFEDSA-N 1 0 348.487 2.757 10 10 EFCERO Cc1nnc(N(C)Cc2ccccc2O)n1CCC[NH+]1CCCCC1 ZINC001290719205 1321944436 /nfs/dbraw/zinc/94/44/36/1321944436.db2.gz NGSKPGOJHJFHLV-UHFFFAOYSA-N 1 0 343.475 2.805 10 10 EFCERO Cc1nnc(N(C)Cc2ccccc2O)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001290719508 1321944784 /nfs/dbraw/zinc/94/47/84/1321944784.db2.gz VOXXVSYAEPOYJM-HNNXBMFYSA-N 1 0 343.475 2.660 10 10 EFCERO COc1ccc(C[NH2+][C@H](CNC(=O)c2cnco2)C(C)C)cc1C ZINC001319930660 1329038602 /nfs/dbraw/zinc/03/86/02/1329038602.db2.gz WSTCYAPVIWBWAL-OAHLLOKOSA-N 1 0 331.416 2.536 10 10 EFCERO COc1ccc(C[NH2+][C@H](CNC(=O)c2[nH]cnc2C)C(C)C)cc1C ZINC001319968010 1329045366 /nfs/dbraw/zinc/04/53/66/1329045366.db2.gz JYPRSBNXKVCBFH-MRXNPFEDSA-N 1 0 344.459 2.579 10 10 EFCERO Cc1cc(C(=O)N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)c(C)n1-c1ccccn1 ZINC001299822379 1323708350 /nfs/dbraw/zinc/70/83/50/1323708350.db2.gz PRWFVWAWUJJSKJ-SJORKVTESA-N 1 0 340.471 2.948 10 10 EFCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)Cc2cccnc2)cc1C ZINC001320387189 1329121648 /nfs/dbraw/zinc/12/16/48/1329121648.db2.gz ROPUIPMHXOWELK-INIZCTEOSA-N 1 0 341.455 2.626 10 10 EFCERO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ccc(OCC)cc2)CC1 ZINC001320395180 1329123772 /nfs/dbraw/zinc/12/37/72/1329123772.db2.gz ROYSBSZHQPMUDN-IBGZPJMESA-N 1 0 345.487 2.608 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@@H]2CCCOCC2)cc1C ZINC001492013708 1324133222 /nfs/dbraw/zinc/13/32/22/1324133222.db2.gz OUCDWXLIJRCGLK-FUHWJXTLSA-N 1 0 348.487 2.805 10 10 EFCERO CCc1nc[nH]c1C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001492120507 1324226311 /nfs/dbraw/zinc/22/63/11/1324226311.db2.gz VHNAHNWGAPCPBE-CQSZACIVSA-N 1 0 344.459 2.587 10 10 EFCERO CCc1nc[nH]c1C(=O)N[C@H](C)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001320623438 1329179630 /nfs/dbraw/zinc/17/96/30/1329179630.db2.gz SYTUJBWJSNEHCC-CQSZACIVSA-N 1 0 344.459 2.587 10 10 EFCERO C[C@@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C1CCCC1 ZINC001312687886 1324991467 /nfs/dbraw/zinc/99/14/67/1324991467.db2.gz QTZRTZYABTVIBU-MRXNPFEDSA-N 1 0 344.503 2.816 10 10 EFCERO CC[N@@H+]1CC[C@H]1CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001313202278 1325008523 /nfs/dbraw/zinc/00/85/23/1325008523.db2.gz BAAOYWWYXJLFNX-SFHVURJKSA-N 1 0 330.476 2.522 10 10 EFCERO COCCC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001316871527 1325240728 /nfs/dbraw/zinc/24/07/28/1325240728.db2.gz WKLSZKBBXCCSRW-WMZOPIPTSA-N 1 0 348.487 2.899 10 10 EFCERO COc1ccc(C[NH2+][C@H](CNC(=O)c2ccccn2)C2CC2)cc1C ZINC001317008745 1325479412 /nfs/dbraw/zinc/47/94/12/1325479412.db2.gz CDUZPGVQYYUBHF-GOSISDBHSA-N 1 0 339.439 2.697 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2cnc(C3CC3)o2)cc1C ZINC001317257514 1327796621 /nfs/dbraw/zinc/79/66/21/1327796621.db2.gz NFOYUOMLMOAMCE-ZDUSSCGKSA-N 1 0 343.427 2.777 10 10 EFCERO CC[C@@H]([NH2+]CCOCCCO)c1cc(Br)ccc1O ZINC001321856079 1329413021 /nfs/dbraw/zinc/41/30/21/1329413021.db2.gz FUVLHWDBAVUWNN-CYBMUJFWSA-N 1 0 332.238 2.594 10 10 EFCERO Cc1cc(Br)cc([C@H](C)[NH2+]CCOCCCO)c1O ZINC001322074505 1329426611 /nfs/dbraw/zinc/42/66/11/1329426611.db2.gz ZJDDPNXWBIBKKB-NSHDSACASA-N 1 0 332.238 2.513 10 10 EFCERO Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@](O)(C3CC3)C2)c1 ZINC001322227142 1329438987 /nfs/dbraw/zinc/43/89/87/1329438987.db2.gz LWWDLQSOWYNUTE-OAHLLOKOSA-N 1 0 326.234 2.810 10 10 EFCERO COc1ccc(C[NH2+]CCCN(C)C(=O)c2ccc(C)nc2)cc1C ZINC001322415285 1329457114 /nfs/dbraw/zinc/45/71/14/1329457114.db2.gz PBGAGXVVWJXKCD-UHFFFAOYSA-N 1 0 341.455 2.959 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H](C)C(F)(F)F)CC2)cc1C ZINC001323516065 1329548584 /nfs/dbraw/zinc/54/85/84/1329548584.db2.gz HPPAUZPGUHQWPC-GFCCVEGCSA-N 1 0 344.377 2.940 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)C=C(C)C)CCOCC2)cc1C ZINC001324982678 1329665488 /nfs/dbraw/zinc/66/54/88/1329665488.db2.gz AOOMIBPBOILSBJ-UHFFFAOYSA-N 1 0 346.471 2.725 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)C(C)(F)F)CCC2)cc1C ZINC001326773556 1330362353 /nfs/dbraw/zinc/36/23/53/1330362353.db2.gz YKIYCKKMTFTVML-UHFFFAOYSA-N 1 0 326.387 2.787 10 10 EFCERO CN1CCN(c2ccc(C[NH2+]C[C@H]3C(C)(C)C3(F)F)cc2F)CC1 ZINC001327590589 1330499007 /nfs/dbraw/zinc/49/90/07/1330499007.db2.gz KKEFDDHJZIQUDY-INIZCTEOSA-N 1 0 341.421 2.958 10 10 EFCERO c1nncn1CC1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001328672002 1330614355 /nfs/dbraw/zinc/61/43/55/1330614355.db2.gz RYFQDWLWCWNKQP-UHFFFAOYSA-N 1 0 325.460 2.791 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2cncs2)cc1C ZINC001328994566 1330653884 /nfs/dbraw/zinc/65/38/84/1330653884.db2.gz FYBOTCZJQSMVIA-CHWSQXEVSA-N 1 0 333.457 2.757 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2ccc(F)nc2)cc1C ZINC001329007616 1330656603 /nfs/dbraw/zinc/65/66/03/1330656603.db2.gz KAIOTGCAPZMBGV-UONOGXRCSA-N 1 0 345.418 2.834 10 10 EFCERO COc1ccc(C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)o1 ZINC001329152447 1330673766 /nfs/dbraw/zinc/67/37/66/1330673766.db2.gz RKOJUKBVZGLEJP-KGLIPLIRSA-N 1 0 346.427 2.902 10 10 EFCERO COc1ccc(C(=O)N[C@H](C)[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)o1 ZINC001329152448 1330674004 /nfs/dbraw/zinc/67/40/04/1330674004.db2.gz RKOJUKBVZGLEJP-UONOGXRCSA-N 1 0 346.427 2.902 10 10 EFCERO CN1CCN(c2ccc(C[NH2+]CC[C@H]3CCSC3)cc2F)CC1 ZINC001329288394 1330690417 /nfs/dbraw/zinc/69/04/17/1330690417.db2.gz XTMLPFIRMQJQAZ-HNNXBMFYSA-N 1 0 337.508 2.810 10 10 EFCERO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]Cc1nc2c(c(=O)[nH]1)COCC2 ZINC001329375663 1330699597 /nfs/dbraw/zinc/69/95/97/1330699597.db2.gz MUHIRVJYPWRZMZ-SMDDNHRTSA-N 1 0 341.411 2.607 10 10 EFCERO C[C@@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)CC(F)F ZINC001329499657 1330712410 /nfs/dbraw/zinc/71/24/10/1330712410.db2.gz ZHQNONCROWELPX-CYBMUJFWSA-N 1 0 329.410 2.958 10 10 EFCERO CC[NH+]1CCN(c2ccc(CNc3nc(C)ncc3C)cc2F)CC1 ZINC001329974590 1330757765 /nfs/dbraw/zinc/75/77/65/1330757765.db2.gz VQKPKSAQPFGLPY-UHFFFAOYSA-N 1 0 343.450 2.987 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CC2(F)F)cc1C ZINC001331444137 1330837897 /nfs/dbraw/zinc/83/78/97/1330837897.db2.gz WTTJNHKRYJOORP-GXTWGEPZSA-N 1 0 326.387 2.595 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2nc(C)oc2C)cc1C ZINC001331594460 1330857155 /nfs/dbraw/zinc/85/71/55/1330857155.db2.gz LBJFBEOQDPZCFB-CYBMUJFWSA-N 1 0 345.443 2.859 10 10 EFCERO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001331602812 1330859071 /nfs/dbraw/zinc/85/90/71/1330859071.db2.gz FTORQVBDUAALCD-BXKDBHETSA-N 1 0 332.425 2.525 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](O)CN(C)C(=O)CC(C)=C(C)C)cc1C ZINC001332549292 1330983784 /nfs/dbraw/zinc/98/37/84/1330983784.db2.gz ADXFMOCFRHVBEY-SFHVURJKSA-N 1 0 348.487 2.659 10 10 EFCERO COC(=O)c1c(CNCC2([NH+](C)C)CCC2)c2cc(F)ccc2n1C ZINC001332706657 1331005871 /nfs/dbraw/zinc/00/58/71/1331005871.db2.gz GFVPKWKCJGFPKP-UHFFFAOYSA-N 1 0 347.434 2.678 10 10 EFCERO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001333086876 1331076312 /nfs/dbraw/zinc/07/63/12/1331076312.db2.gz WEXRCGWRKRGFFU-RYUDHWBXSA-N 1 0 334.441 2.915 10 10 EFCERO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001346792964 1332689308 /nfs/dbraw/zinc/68/93/08/1332689308.db2.gz URUXSORFJTVLRN-HYVNUMGLSA-N 1 0 331.460 2.654 10 10 EFCERO C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCCCSc3nccs3)C[N@@H+]2C1 ZINC001347650176 1332763054 /nfs/dbraw/zinc/76/30/54/1332763054.db2.gz KIHQOAJPQGBUQV-RDBSUJKOSA-N 1 0 339.530 2.862 10 10 EFCERO C[C@H]1C[C@@H](C(=O)N(C)Cc2ccc(N3CCCC3)cc2)CC[N@@H+]1C ZINC001349116859 1332906870 /nfs/dbraw/zinc/90/68/70/1332906870.db2.gz DRVMPQIRXUWULD-WMZOPIPTSA-N 1 0 329.488 2.976 10 10 EFCERO CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CC[C@H]2C[C@H](C)C[N@@H+]2C1 ZINC001349835987 1333003424 /nfs/dbraw/zinc/00/34/24/1333003424.db2.gz SARNVRHXIVNNTR-ZNMIVQPWSA-N 1 0 337.460 2.615 10 10 EFCERO c1cc(N2CCCC2)ccc1C[NH2+]C[C@H]1CCN1C1CCOCC1 ZINC001350903357 1333149638 /nfs/dbraw/zinc/14/96/38/1333149638.db2.gz NRZHSWCZDLBVJB-HXUWFJFHSA-N 1 0 329.488 2.630 10 10 EFCERO CCOc1ccc(N2CCN(Cc3cnn(CCF)c3)CC2)cc1 ZINC001354457437 1334313680 /nfs/dbraw/zinc/31/36/80/1334313680.db2.gz WMHNEGUXTMDPIQ-UHFFFAOYSA-N 1 0 332.423 2.574 10 10 EFCERO Cc1cc(C(O)=CONC(=[NH2+])[C@@H]2C[C@H]2C)c(C)n1-c1ccc(F)cn1 ZINC000848517366 1334769306 /nfs/dbraw/zinc/76/93/06/1334769306.db2.gz DJPSIOUZCFIAIB-QMTHXVAHSA-N 1 0 344.390 2.965 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCCN(C)C2)c1O ZINC000848523972 1334771990 /nfs/dbraw/zinc/77/19/90/1334771990.db2.gz PAHZNVXVAJARRR-JQWIXIFHSA-N 1 0 343.265 2.908 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](C)N(C)C)c1O ZINC000848524339 1334773099 /nfs/dbraw/zinc/77/30/99/1334773099.db2.gz HWYKGUZPHUNJKL-ZJUUUORDSA-N 1 0 331.254 2.764 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCCN2C)c1O ZINC000848526544 1334775347 /nfs/dbraw/zinc/77/53/47/1334775347.db2.gz AWGRHNOFLARXKM-CMPLNLGQSA-N 1 0 343.265 2.908 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCCOC2)c1O ZINC000848528438 1334776075 /nfs/dbraw/zinc/77/60/75/1334776075.db2.gz MCIWJAOJNSFHFN-GXSJLCMTSA-N 1 0 330.222 2.993 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+][C@H](CO)C(C)C)c1O ZINC000848530587 1334777348 /nfs/dbraw/zinc/77/73/48/1334777348.db2.gz CCJYUOHNYOQKOD-BXKDBHETSA-N 1 0 332.238 2.831 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+]CC(C)(C)CO)c1O ZINC000848537000 1334782856 /nfs/dbraw/zinc/78/28/56/1334782856.db2.gz ZGJDSTUDFNNTIH-VIFPVBQESA-N 1 0 332.238 2.832 10 10 EFCERO COCC1([NH2+][C@@H](C)c2cc(Br)cc(OC)c2O)CC1 ZINC000848540652 1334785392 /nfs/dbraw/zinc/78/53/92/1334785392.db2.gz QFEJPQCFOFEJLV-VIFPVBQESA-N 1 0 330.222 2.993 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+]CCC[C@@H](C)O)c1O ZINC000848549130 1334788743 /nfs/dbraw/zinc/78/87/43/1334788743.db2.gz KWSJBJZNJUKGOL-ZJUUUORDSA-N 1 0 332.238 2.975 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+]Cc2cncn2C)c1O ZINC000848550544 1334790639 /nfs/dbraw/zinc/79/06/39/1334790639.db2.gz QAHOHEPUOAGERI-SECBINFHSA-N 1 0 340.221 2.748 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+]CCC2(CO)CC2)c1O ZINC000848553239 1334791408 /nfs/dbraw/zinc/79/14/08/1334791408.db2.gz JBTYVMPIXNZCHG-SNVBAGLBSA-N 1 0 344.249 2.977 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](CO)CCF)c1O ZINC000848555349 1334792184 /nfs/dbraw/zinc/79/21/84/1334792184.db2.gz AKOQOTRDPBANGC-PSASIEDQSA-N 1 0 336.201 2.534 10 10 EFCERO CO[C@@](C)(CO)C[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000848556883 1334793174 /nfs/dbraw/zinc/79/31/74/1334793174.db2.gz AMNUKIOAGZKWEE-QMTHXVAHSA-N 1 0 332.238 2.511 10 10 EFCERO CO[C@@](C)(CO)C[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000848556880 1334793710 /nfs/dbraw/zinc/79/37/10/1334793710.db2.gz AMNUKIOAGZKWEE-IINYFYTJSA-N 1 0 332.238 2.511 10 10 EFCERO CO[C@@](C)(CO)C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000848559557 1334795602 /nfs/dbraw/zinc/79/56/02/1334795602.db2.gz FKABZETWDWSYBV-GOSISDBHSA-N 1 0 334.485 2.872 10 10 EFCERO COC(=O)Cc1ccccc1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000848578468 1334804755 /nfs/dbraw/zinc/80/47/55/1334804755.db2.gz DNEQKXOYKSFQRF-UHFFFAOYSA-N 1 0 330.403 2.897 10 10 EFCERO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000848595000 1334808898 /nfs/dbraw/zinc/80/88/98/1334808898.db2.gz IVHHDDMRRIUVKA-AWEZNQCLSA-N 1 0 346.397 2.562 10 10 EFCERO CCc1cccc(C[NH2+][C@@H](Cc2ccccc2)C(=O)N(C)C)c1O ZINC000848896204 1334968968 /nfs/dbraw/zinc/96/89/68/1334968968.db2.gz VEPHQSZBVGZTEG-SFHVURJKSA-N 1 0 326.440 2.744 10 10 EFCERO CCC[N@@H+]1CCC[C@H](C(=O)C(=O)CC(C)(C)CC(=O)OCC)C1 ZINC000935943835 1335463793 /nfs/dbraw/zinc/46/37/93/1335463793.db2.gz FZILNYHNDKIAMH-AWEZNQCLSA-N 1 0 325.449 2.616 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C2CC2)N(C)C(=O)[C@H]2CCCO2)cc1C ZINC001507002784 1406575723 /nfs/dbraw/zinc/57/57/23/1406575723.db2.gz ZACWTBAHFNXUMR-IEBWSBKVSA-N 1 0 346.471 2.509 10 10 EFCERO C[C@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)NC(=O)Nc1ccccc1F ZINC001460641078 1396239891 /nfs/dbraw/zinc/23/98/91/1396239891.db2.gz XIUDANQFDDWCNQ-RYUDHWBXSA-N 1 0 345.374 2.919 10 10 EFCERO COC[C@@H](C[NH+]1CCN(c2ccc(OC)cc2OC)CC1)C(C)C ZINC001460651916 1396239903 /nfs/dbraw/zinc/23/99/03/1396239903.db2.gz PPYYTTKMQUIPSB-MRXNPFEDSA-N 1 0 336.476 2.744 10 10 EFCERO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Cc1ccc(O)c(O)c1 ZINC001464199146 1396555787 /nfs/dbraw/zinc/55/57/87/1396555787.db2.gz JXJUDDNQRUUFQZ-UHFFFAOYSA-N 1 0 342.439 2.797 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)COCC3CC3)C2)cc1C ZINC001507301914 1406865859 /nfs/dbraw/zinc/86/58/59/1406865859.db2.gz SSHUZCPKXPIYDF-YJBOKZPZSA-N 1 0 346.471 2.509 10 10 EFCERO CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CCC2(C)C)[NH+](C)C)cc1 ZINC001470116129 1397074383 /nfs/dbraw/zinc/07/43/83/1397074383.db2.gz QPHDLLGUPHMVQL-DLBZAZTESA-N 1 0 332.492 2.843 10 10 EFCERO CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)[NH+](C)C)cc1 ZINC001470475238 1397091971 /nfs/dbraw/zinc/09/19/71/1397091971.db2.gz ZYUONKOVNPPBMF-QXCFHYIPSA-N 1 0 344.503 2.843 10 10 EFCERO CCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001507338285 1406907508 /nfs/dbraw/zinc/90/75/08/1406907508.db2.gz IVYVITQYJIWOPN-IUODEOHRSA-N 1 0 331.420 2.842 10 10 EFCERO CCCc1nc(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)co1 ZINC001480571544 1398216232 /nfs/dbraw/zinc/21/62/32/1398216232.db2.gz IGJXDNLFUMAYGY-CQSZACIVSA-N 1 0 345.443 2.852 10 10 EFCERO CC[C@@H]1CC[C@H](C(=O)N(C)CC[NH2+]Cc2ccc(OC)c(C)c2)O1 ZINC001493566889 1398755915 /nfs/dbraw/zinc/75/59/15/1398755915.db2.gz ILPFYSUZUAYVCG-SJLPKXTDSA-N 1 0 334.460 2.509 10 10 EFCERO CC[C@H](CNC(=O)c1ccn(C)c1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001495055790 1399631964 /nfs/dbraw/zinc/63/19/64/1399631964.db2.gz XJHUTWQZXIPPME-QGZVFWFLSA-N 1 0 343.471 2.949 10 10 EFCERO CC[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CCC1CC1 ZINC001495118268 1399679801 /nfs/dbraw/zinc/67/98/01/1399679801.db2.gz PVXVNZJFFJMVJP-CQSZACIVSA-N 1 0 331.420 2.747 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)C2=COCCC2)cc1C ZINC001495662525 1400150718 /nfs/dbraw/zinc/15/07/18/1400150718.db2.gz UXZSFXLWSXXPJZ-AWEZNQCLSA-N 1 0 332.444 2.540 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)C2=COCCC2)cc1C ZINC001495662526 1400150775 /nfs/dbraw/zinc/15/07/75/1400150775.db2.gz UXZSFXLWSXXPJZ-CQSZACIVSA-N 1 0 332.444 2.540 10 10 EFCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)c2ccncc2F)cc1C ZINC001497161289 1401192486 /nfs/dbraw/zinc/19/24/86/1401192486.db2.gz MLBVURBTSKOUGC-CQSZACIVSA-N 1 0 345.418 2.836 10 10 EFCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)c2conc2C)cc1C ZINC001497260232 1401252854 /nfs/dbraw/zinc/25/28/54/1401252854.db2.gz QAQQBMPZXNRGGX-CYBMUJFWSA-N 1 0 331.416 2.598 10 10 EFCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)C2(C3CC3)CC2)cc1C ZINC001497607045 1401488616 /nfs/dbraw/zinc/48/86/16/1401488616.db2.gz CQLKZFDEKVQNHU-ARJAWSKDSA-N 1 0 328.456 2.956 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)[C@@H]2CCCO2)C(C)(C)C)cc1C ZINC001507874925 1407193200 /nfs/dbraw/zinc/19/32/00/1407193200.db2.gz LGAKVYCONWPQNL-ZWKOTPCHSA-N 1 0 348.487 2.803 10 10 EFCERO CCCn1cc(C(=O)N[C@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)cn1 ZINC001497926631 1401745860 /nfs/dbraw/zinc/74/58/60/1401745860.db2.gz BXQHXHIZQSEPKP-OAHLLOKOSA-N 1 0 344.459 2.518 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)c2cccnc2)cc1C ZINC001497964737 1401778796 /nfs/dbraw/zinc/77/87/96/1401778796.db2.gz XJCAZEYGODWZAQ-CVEARBPZSA-N 1 0 341.455 2.797 10 10 EFCERO COc1ccc(C[NH2+]CCCN(C)C(=O)COC(C)(C)C)cc1C ZINC001498539007 1402165797 /nfs/dbraw/zinc/16/57/97/1402165797.db2.gz HGXDDJPJXBDKHU-UHFFFAOYSA-N 1 0 336.476 2.757 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](NC(=O)[C@H]2CC2(F)F)C2CC2)cc1C ZINC001498759233 1402272011 /nfs/dbraw/zinc/27/20/11/1402272011.db2.gz MITSYOJVATTXCK-CABCVRRESA-N 1 0 338.398 2.643 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)[C@@H](C)OC)C2CCCC2)cc1C ZINC001500075416 1402925422 /nfs/dbraw/zinc/92/54/22/1402925422.db2.gz OMXDLQNTJWNPEC-CRAIPNDOSA-N 1 0 348.487 2.803 10 10 EFCERO COc1ccc(C[NH2+]CC[C@@H]2CCN(C(=O)c3cocn3)C2)cc1C ZINC001501544980 1403620981 /nfs/dbraw/zinc/62/09/81/1403620981.db2.gz VMVSTJZEQRRRKA-OAHLLOKOSA-N 1 0 343.427 2.634 10 10 EFCERO CCO[C@H](C)C(=O)N1CCC(C)([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001502768156 1404334465 /nfs/dbraw/zinc/33/44/65/1404334465.db2.gz GHOZLUOHGSSQBA-MRXNPFEDSA-N 1 0 348.487 2.899 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2[nH]ccc2C)cc1C ZINC001503182403 1404471173 /nfs/dbraw/zinc/47/11/73/1404471173.db2.gz NMGYLIIIJZLDMJ-HNNXBMFYSA-N 1 0 329.444 2.938 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)COC2CCCC2)cc1C ZINC001505567342 1404786766 /nfs/dbraw/zinc/78/67/66/1404786766.db2.gz UGHUOHUJGUITDW-HZPDHXFCSA-N 1 0 348.487 2.946 10 10 EFCERO COCC1(C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)CCC1 ZINC001505655829 1404902302 /nfs/dbraw/zinc/90/23/02/1404902302.db2.gz FDQJJXQHRUCQET-HOTGVXAUSA-N 1 0 348.487 2.803 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC001556500078 1415073376 /nfs/dbraw/zinc/07/33/76/1415073376.db2.gz VZRAXZJNTAPFOO-OAHLLOKOSA-N 1 0 329.404 2.596 10 10 EFCERO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC001557063769 1415103448 /nfs/dbraw/zinc/10/34/48/1415103448.db2.gz YVDPAVRUJOBYSJ-QAPCUYQASA-N 1 0 331.504 2.981 10 10 EFCERO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001557063144 1415103575 /nfs/dbraw/zinc/10/35/75/1415103575.db2.gz GMMGVPGOUCOXMF-YESZJQIVSA-N 1 0 331.504 2.981 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC001557290285 1415118148 /nfs/dbraw/zinc/11/81/48/1415118148.db2.gz YKKIXYWBZVWDFN-HUUCEWRRSA-N 1 0 329.404 2.596 10 10 EFCERO CC1([NH+]2CCC2)CCC(NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001558665022 1415193973 /nfs/dbraw/zinc/19/39/73/1415193973.db2.gz MBADPURTAIXHPL-UHFFFAOYSA-N 1 0 343.431 2.986 10 10 EFCERO COc1ccc(N(C)CC[N@H+](C)C[C@H](O)Cc2ccccc2)cc1 ZINC001559966481 1415259810 /nfs/dbraw/zinc/25/98/10/1415259810.db2.gz BIMXRQQHSQCJFQ-LJQANCHMSA-N 1 0 328.456 2.667 10 10 EFCERO C[C@@H]([NH2+]CC(=O)Nc1cccc2nsnc21)c1ccccc1O ZINC001560074840 1415262182 /nfs/dbraw/zinc/26/21/82/1415262182.db2.gz IKZWXMOPLHZLBV-SNVBAGLBSA-N 1 0 328.397 2.686 10 10 EFCERO CNC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)c(C)c2)C1 ZINC001560142649 1415264888 /nfs/dbraw/zinc/26/48/88/1415264888.db2.gz YXUGVKPFNFQELD-GOSISDBHSA-N 1 0 344.503 2.879 10 10 EFCERO c1ncn(-c2ccc(C[NH2+]Cc3ccc(N4CCCC4)cc3)cn2)n1 ZINC001560266036 1415271198 /nfs/dbraw/zinc/27/11/98/1415271198.db2.gz NWIBGYDHOKCCCS-UHFFFAOYSA-N 1 0 334.427 2.552 10 10 EFCERO COc1ccc(O)c([C@H](C)NC(=O)c2cccc(CC[NH+](C)C)c2)c1 ZINC001566374669 1415544191 /nfs/dbraw/zinc/54/41/91/1415544191.db2.gz PSCXIRWIIXNPCX-AWEZNQCLSA-N 1 0 342.439 2.996 10 10 EFCERO COc1ccc(O)c([C@H](C)NC(=O)C2CC[NH+](CC(C)C)CC2)c1 ZINC001566374593 1415544233 /nfs/dbraw/zinc/54/42/33/1415544233.db2.gz NMUMEUWFPPFNOL-AWEZNQCLSA-N 1 0 334.460 2.946 10 10 EFCERO COc1ccc(C[NH2+][C@H](CNC(=O)Cc2ccco2)C2CC2)cc1C ZINC001566725656 1415747474 /nfs/dbraw/zinc/74/74/74/1415747474.db2.gz IPTNFGLCJOTDIM-GOSISDBHSA-N 1 0 342.439 2.824 10 10 EFCERO CC[C@@H](CNC(=O)c1cc[nH]c1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567954925 1416342224 /nfs/dbraw/zinc/34/22/24/1416342224.db2.gz JUFOEXHZAFMLHT-INIZCTEOSA-N 1 0 329.444 2.938 10 10 EFCERO COc1ccc(C[NH2+]CC2(NC(=O)[C@H]3CCOC3)CCCC2)cc1C ZINC001567994205 1416353483 /nfs/dbraw/zinc/35/34/83/1416353483.db2.gz QWALZGLMSGTLCM-KRWDZBQOSA-N 1 0 346.471 2.559 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2c(C)noc2C)cc1C ZINC001568161709 1416430068 /nfs/dbraw/zinc/43/00/68/1416430068.db2.gz QBEYMEWSYHBPPC-GFCCVEGCSA-N 1 0 345.443 2.764 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2csnc2C)cc1C ZINC001568166680 1416430961 /nfs/dbraw/zinc/43/09/61/1416430961.db2.gz ADJQXAGIHYLHRD-GFCCVEGCSA-N 1 0 347.484 2.924 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@H]2CC2(F)F)cc1C ZINC001568170808 1416432431 /nfs/dbraw/zinc/43/24/31/1416432431.db2.gz NANALWCGDKKDMY-BXUZGUMPSA-N 1 0 326.387 2.501 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)C2(C(F)F)CC2)cc1C ZINC001568171740 1416432633 /nfs/dbraw/zinc/43/26/33/1416432633.db2.gz HAADCXWDCWMZQR-GFCCVEGCSA-N 1 0 340.414 2.891 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)C2(CF)CCC2)cc1C ZINC001568195689 1416437919 /nfs/dbraw/zinc/43/79/19/1416437919.db2.gz JMBFUKMEFWNPKA-CQSZACIVSA-N 1 0 336.451 2.985 10 10 EFCERO CC[C@H](F)C[NH2+][C@H]1C[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001691758294 1416672603 /nfs/dbraw/zinc/67/26/03/1416672603.db2.gz YWVQIDPXEHQQGE-CORIIIEPSA-N 1 0 349.410 2.695 10 10 EFCERO CN(C)c1ccc([C@@H](CNC(=O)NC2CC3(CCC3)C2)[NH+](C)C)cc1 ZINC001683728161 1416683207 /nfs/dbraw/zinc/68/32/07/1416683207.db2.gz JMAYLCUOHCVPAO-GOSISDBHSA-N 1 0 344.503 2.987 10 10 EFCERO CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2C[C@@H]3CCC[C@H]23)[NH+](C)C)cc1 ZINC001685608904 1416769212 /nfs/dbraw/zinc/76/92/12/1416769212.db2.gz JWEZNBUUHYRJLF-KANFNMMFSA-N 1 0 344.503 2.843 10 10 EFCERO CC[C@H]1C[N@H+](C)CCN1C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001686826270 1416810843 /nfs/dbraw/zinc/81/08/43/1416810843.db2.gz FCXDUJXKIMBDAM-WMZOPIPTSA-N 1 0 346.519 2.728 10 10 EFCERO COCCC(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001690294278 1417185142 /nfs/dbraw/zinc/18/51/42/1417185142.db2.gz XPXPOCSQVIEZEG-QAQDUYKDSA-N 1 0 348.487 2.803 10 10 EFCERO COc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)CC(C)(C)O)CC2)cc1C ZINC001698706946 1417314756 /nfs/dbraw/zinc/31/47/56/1417314756.db2.gz FMOKDWKBLZIXGY-QAQDUYKDSA-N 1 0 348.487 2.682 10 10 EFCERO COc1ccc(C[NH2+][C@H](CNC(=O)c2n[nH]cc2C)C(C)C)cc1C ZINC001698960040 1417357787 /nfs/dbraw/zinc/35/77/87/1417357787.db2.gz FAYYZBJWZIHCKB-MRXNPFEDSA-N 1 0 344.459 2.579 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)c3ccsn3)CCC2)cc1C ZINC001700154208 1417585307 /nfs/dbraw/zinc/58/53/07/1417585307.db2.gz DVLNQROVKTZASF-UHFFFAOYSA-N 1 0 345.468 2.902 10 10 EFCERO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CCOC(C)C)[C@@H]2C)cc1C ZINC001700814952 1417652586 /nfs/dbraw/zinc/65/25/86/1417652586.db2.gz WDMCSTBWLNMJHI-SJLPKXTDSA-N 1 0 348.487 2.898 10 10 EFCERO COc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)COC(C)C)cc1C ZINC001713260669 1418429994 /nfs/dbraw/zinc/42/99/94/1418429994.db2.gz AEKUUZGFASGIDB-GOSISDBHSA-N 1 0 348.487 2.899 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)Cc2cnccc2C)cc1C ZINC001713316199 1418470083 /nfs/dbraw/zinc/47/00/83/1418470083.db2.gz MLHXYUIEWDPUSI-MRXNPFEDSA-N 1 0 341.455 2.544 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)C2(C(C)(F)F)CC2)cc1C ZINC001714760372 1418629193 /nfs/dbraw/zinc/62/91/93/1418629193.db2.gz SRBNGPDWYDIALC-UHFFFAOYSA-N 1 0 340.414 2.987 10 10 EFCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)c2nccs2)cc1C ZINC001716184484 1418715554 /nfs/dbraw/zinc/71/55/54/1418715554.db2.gz ZAANEMKMGGXOGE-CYBMUJFWSA-N 1 0 333.457 2.758 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)Cc2ccccc2)cc1C ZINC001716400872 1418873398 /nfs/dbraw/zinc/87/33/98/1418873398.db2.gz RYPGMCKLMDUHIE-MRXNPFEDSA-N 1 0 326.440 2.841 10 10 EFCERO CCc1cccc(C(=O)N[C@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)n1 ZINC001716399220 1418873474 /nfs/dbraw/zinc/87/34/74/1418873474.db2.gz AXTBBGMPTXJAEF-OAHLLOKOSA-N 1 0 341.455 2.869 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)CC[C@H]2CCCCO2)cc1C ZINC001716414763 1418876694 /nfs/dbraw/zinc/87/66/94/1418876694.db2.gz QXTHXSUWMFPXGP-SJLPKXTDSA-N 1 0 348.487 2.947 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)c2ccncc2)C2CC2)cc1C ZINC001716604767 1418922101 /nfs/dbraw/zinc/92/21/01/1418922101.db2.gz XBEQOHNPYCSZPU-GOSISDBHSA-N 1 0 339.439 2.697 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)COCC2CC2)cc1C ZINC001716773045 1419001769 /nfs/dbraw/zinc/00/17/69/1419001769.db2.gz RIWHSGBHMIHIIY-SFHVURJKSA-N 1 0 346.471 2.511 10 10 EFCERO COC[C@H](C)C(=O)N1CC[C@H](CC[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001717074338 1419188521 /nfs/dbraw/zinc/18/85/21/1419188521.db2.gz MZOCCGBIDDLKRJ-IRXDYDNUSA-N 1 0 348.487 2.614 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)C3CC(OC)C3)CCC2)cc1C ZINC001717152503 1419240366 /nfs/dbraw/zinc/24/03/66/1419240366.db2.gz BNVNKJPJLQFNJH-UHFFFAOYSA-N 1 0 346.471 2.557 10 10 EFCERO CCC1([NH2+]Cc2ccc(OC)c(C)c2)CCN(C(=O)[C@@H](C)OC)CC1 ZINC001717235436 1419279808 /nfs/dbraw/zinc/27/98/08/1419279808.db2.gz MCMGJOVLWVRPKM-MRXNPFEDSA-N 1 0 348.487 2.899 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2cccn2C)cc1C ZINC001717399001 1419378442 /nfs/dbraw/zinc/37/84/42/1419378442.db2.gz MIBUPUJWJRNRKN-HUUCEWRRSA-N 1 0 329.444 2.639 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2cccn2C)cc1C ZINC001717399000 1419378639 /nfs/dbraw/zinc/37/86/39/1419378639.db2.gz MIBUPUJWJRNRKN-GJZGRUSLSA-N 1 0 329.444 2.639 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2[nH]c(C)nc2C)cc1C ZINC001717741670 1419532080 /nfs/dbraw/zinc/53/20/80/1419532080.db2.gz USQVUTTXJLJQQP-CYBMUJFWSA-N 1 0 344.459 2.594 10 10 EFCERO COc1ccc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)COC(C)C)C2)cc1C ZINC001717868002 1419593702 /nfs/dbraw/zinc/59/37/02/1419593702.db2.gz XOCNWXVRSNLQKU-ZWKOTPCHSA-N 1 0 348.487 2.803 10 10 EFCERO COCCCC(=O)N1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C(C)(C)C1 ZINC001717892039 1419605371 /nfs/dbraw/zinc/60/53/71/1419605371.db2.gz WHYPNDDSSGCPLX-GOSISDBHSA-N 1 0 348.487 2.757 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)N[C@@H](C[NH2+]C/C=C\Cl)C2CC2)cc1 ZINC001723355236 1424473733 /nfs/dbraw/zinc/47/37/33/1424473733.db2.gz JEAFQGZUDJAEOF-SHVDDDRZSA-N 1 0 349.822 2.700 10 10 EFCERO COC[C@H](C)C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001724204807 1424699514 /nfs/dbraw/zinc/69/95/14/1424699514.db2.gz OTNRGONNFBUUQW-JXFKEZNVSA-N 1 0 348.487 2.614 10 10 EFCERO COc1ccc(C[NH2+]CC[C@H]2CCN(C(=O)[C@H]3C[C@@H]3C)C2)cc1C ZINC001724717211 1424936325 /nfs/dbraw/zinc/93/63/25/1424936325.db2.gz DDPZDFCPTNYFGQ-ZVZYQTTQSA-N 1 0 330.472 2.988 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)NC2CC(C[NH2+]CCC3CC3)C2)cc1 ZINC001725074950 1425284343 /nfs/dbraw/zinc/28/43/43/1425284343.db2.gz BPDWVCIMXXJDHE-UHFFFAOYSA-N 1 0 343.431 2.747 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2nocc2C)cc1C ZINC001725119025 1425313020 /nfs/dbraw/zinc/31/30/20/1425313020.db2.gz LCHVFVXLVLQICK-UONOGXRCSA-N 1 0 331.416 2.597 10 10 EFCERO CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1cc(Br)ccc1O ZINC000804733536 713454800 /nfs/dbraw/zinc/45/48/00/713454800.db2.gz RWYFRPJIIUYMOD-SNVBAGLBSA-N 1 0 343.265 2.938 10 10 EFCERO COC(=O)c1cc2ccccc2c(C[NH+]2CCC(C)(O)CC2)c1O ZINC000177188314 713711207 /nfs/dbraw/zinc/71/12/07/713711207.db2.gz QZZACIANEBPJRR-UHFFFAOYSA-N 1 0 329.396 2.679 10 10 EFCERO CC(=O)C(C)(C)CCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891254521 714148451 /nfs/dbraw/zinc/14/84/51/714148451.db2.gz YQSHAXNEXIHBTB-SFHVURJKSA-N 1 0 347.503 2.867 10 10 EFCERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000176286621 715195057 /nfs/dbraw/zinc/19/50/57/715195057.db2.gz PLPRGROMMWDLPY-GOSISDBHSA-N 1 0 344.503 2.695 10 10 EFCERO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000120431124 715861614 /nfs/dbraw/zinc/86/16/14/715861614.db2.gz GUTRMIXEVUXMAC-OAHLLOKOSA-N 1 0 342.443 2.957 10 10 EFCERO O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000896104695 723139378 /nfs/dbraw/zinc/13/93/78/723139378.db2.gz IESGGIOPTBCWEB-LBPRGKRZSA-N 1 0 332.425 2.623 10 10 EFCERO Cc1ccccc1[C@H](O)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000304062236 724444895 /nfs/dbraw/zinc/44/48/95/724444895.db2.gz QHUDSFNEAWYKNT-HXUWFJFHSA-N 1 0 344.430 2.794 10 10 EFCERO C[N@@H+]1C[C@@H](CNC(=O)NCc2ccccc2O)[C@H](c2ccccc2)C1 ZINC000892527620 718213116 /nfs/dbraw/zinc/21/31/16/718213116.db2.gz TZPZKXWVYHZLAZ-MSOLQXFVSA-N 1 0 339.439 2.537 10 10 EFCERO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)cc1 ZINC000180235733 718312725 /nfs/dbraw/zinc/31/27/25/718312725.db2.gz DUBOVEZIOJKQGD-YLJYHZDGSA-N 1 0 331.504 2.685 10 10 EFCERO c1cn2cc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)sc2n1 ZINC000892668485 718412708 /nfs/dbraw/zinc/41/27/08/718412708.db2.gz MJNUPNAGCIVUBP-UHFFFAOYSA-N 1 0 328.441 2.522 10 10 EFCERO C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000925813834 718848101 /nfs/dbraw/zinc/84/81/01/718848101.db2.gz ZSPFILOYAJIMSL-SNVBAGLBSA-N 1 0 332.275 2.773 10 10 EFCERO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2ccccc2OC)c1 ZINC000182350023 720118729 /nfs/dbraw/zinc/11/87/29/720118729.db2.gz KDHUBQUIWCDQSM-GFCCVEGCSA-N 1 0 330.384 2.699 10 10 EFCERO COc1cc(C)cc(C[N@H+](C)[C@H]2CCN(c3ccccc3)C2=O)c1O ZINC000894004602 720218663 /nfs/dbraw/zinc/21/86/63/720218663.db2.gz VCTCBEJVPGSRQE-KRWDZBQOSA-N 1 0 340.423 2.947 10 10 EFCERO COc1cc(C)cc(C[N@H+](C)[C@@H]2CCN(c3ccccc3)C2=O)c1O ZINC000894004603 720218791 /nfs/dbraw/zinc/21/87/91/720218791.db2.gz VCTCBEJVPGSRQE-QGZVFWFLSA-N 1 0 340.423 2.947 10 10 EFCERO COC[C@H]1CCC[N@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)OC)C1 ZINC000894021623 720223782 /nfs/dbraw/zinc/22/37/82/720223782.db2.gz ODDWXGRJBFTRKY-ZDUSSCGKSA-N 1 0 348.418 2.962 10 10 EFCERO COC(=O)c1c(CNCC(C)(C)[NH+](C)C)c2cc(F)ccc2n1C ZINC000894145344 720914325 /nfs/dbraw/zinc/91/43/25/720914325.db2.gz AHZHIQVTAJNIAV-UHFFFAOYSA-N 1 0 335.423 2.534 10 10 EFCERO COC(=O)c1c(C[NH2+]C[C@H]2CCCOC2)c2cc(F)ccc2n1C ZINC000894200428 721195221 /nfs/dbraw/zinc/19/52/21/721195221.db2.gz SDPUBHNNPHDLMM-GFCCVEGCSA-N 1 0 334.391 2.620 10 10 EFCERO COc1cc(C)cc(C[NH2+][C@H](Cc2ccccc2)CN(C)C)c1O ZINC000894201040 721195719 /nfs/dbraw/zinc/19/57/19/721195719.db2.gz ZSCFYXBMDPORDQ-GOSISDBHSA-N 1 0 328.456 2.972 10 10 EFCERO COc1cc(C)cc(C[NH2+][C@@H](Cc2ccccc2)CN(C)C)c1O ZINC000894201041 721195893 /nfs/dbraw/zinc/19/58/93/721195893.db2.gz ZSCFYXBMDPORDQ-SFHVURJKSA-N 1 0 328.456 2.972 10 10 EFCERO CC[C@H](C)[C@H](O)C[NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894250445 721740231 /nfs/dbraw/zinc/74/02/31/721740231.db2.gz JRSPLLQLVYFROB-MEDUHNTESA-N 1 0 336.407 2.601 10 10 EFCERO COC(=O)c1c(C[NH2+]CC[C@@H]2CCOC2)c2cc(F)ccc2n1C ZINC000894445847 722738683 /nfs/dbraw/zinc/73/86/83/722738683.db2.gz PIWZGTVDDTVICR-GFCCVEGCSA-N 1 0 334.391 2.620 10 10 EFCERO COC(=O)c1c(C[NH2+]CC2(CO)CCCC2)c2cc(F)ccc2n1C ZINC000894480179 722752527 /nfs/dbraw/zinc/75/25/27/722752527.db2.gz MPOMPVFHJLUNQO-UHFFFAOYSA-N 1 0 348.418 2.746 10 10 EFCERO COC(=O)c1c(C[N@@H+]2CCC[C@@](C)(O)CC2)c2cc(F)ccc2n1C ZINC000894603204 722789775 /nfs/dbraw/zinc/78/97/75/722789775.db2.gz NEQPHGSIOIGVIV-LJQANCHMSA-N 1 0 348.418 2.841 10 10 EFCERO COC(=O)c1c(C[N@H+]2CC[C@H](OC)[C@H](C)C2)c2cc(F)ccc2n1C ZINC000894902351 723019666 /nfs/dbraw/zinc/01/96/66/723019666.db2.gz JGYCQVBRPCQUGY-PXAZEXFGSA-N 1 0 348.418 2.961 10 10 EFCERO COC(=O)c1c(C[NH2+]C[C@H]2CCCC[C@@H]2O)c2cc(F)ccc2n1C ZINC000894910991 723026179 /nfs/dbraw/zinc/02/61/79/723026179.db2.gz BXJKCSQWDCPJEY-PXAZEXFGSA-N 1 0 348.418 2.745 10 10 EFCERO COCCCC[N@H+](C)Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000895025428 723057650 /nfs/dbraw/zinc/05/76/50/723057650.db2.gz PWZBXMLAFYLEFF-UHFFFAOYSA-N 1 0 336.407 2.962 10 10 EFCERO CN(C)c1ccc(C[N@@H+]2CCc3nc[nH]c3C23CCOCC3)cc1 ZINC000895069993 723174147 /nfs/dbraw/zinc/17/41/47/723174147.db2.gz AECJFOYMYDAFKL-UHFFFAOYSA-N 1 0 326.444 2.540 10 10 EFCERO COC(=O)c1c(C[NH2+]CC2CCC(O)CC2)c2cc(F)ccc2n1C ZINC000895328360 724036112 /nfs/dbraw/zinc/03/61/12/724036112.db2.gz VCJPNWBXLRCXOH-UHFFFAOYSA-N 1 0 348.418 2.745 10 10 EFCERO CN(C)c1ccc(/C=C/C[NH2+]CCN2C[C@@H]3CCCCN3C2=O)cc1 ZINC000895343777 724052473 /nfs/dbraw/zinc/05/24/73/724052473.db2.gz LJURJUPXQDDZNT-UEKDZROGSA-N 1 0 342.487 2.646 10 10 EFCERO COc1ccc(N2CCN(CCC[NH2+]Cc3ccoc3)CC2)cc1 ZINC000727464030 724055580 /nfs/dbraw/zinc/05/55/80/724055580.db2.gz LOOQOASSJFRHSL-UHFFFAOYSA-N 1 0 329.444 2.590 10 10 EFCERO COc1ccc(N2CCC(NC(=O)c3ccc(C[NH3+])cc3)CC2)cc1 ZINC000237259395 724067274 /nfs/dbraw/zinc/06/72/74/724067274.db2.gz CQFXXJUOQHZJGK-UHFFFAOYSA-N 1 0 339.439 2.553 10 10 EFCERO COc1cc(C)cc(C[NH2+]C[C@H]2c3ccccc3C(=O)N2C)c1O ZINC000895401791 724112834 /nfs/dbraw/zinc/11/28/34/724112834.db2.gz CAYZJSRCVBXZQF-INIZCTEOSA-N 1 0 326.396 2.626 10 10 EFCERO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cnc(Br)cn1 ZINC000895407014 724119506 /nfs/dbraw/zinc/11/95/06/724119506.db2.gz KQDWRTJYWOBHRD-UHFFFAOYSA-N 1 0 335.249 2.903 10 10 EFCERO CCC[C@@H](CCO)[NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000895419122 724126058 /nfs/dbraw/zinc/12/60/58/724126058.db2.gz RPNXVFVNPJHXFZ-ZDUSSCGKSA-N 1 0 336.407 2.745 10 10 EFCERO CCN(CC)c1ccc(CN(C)C(=O)[C@@]23CC[N@H+](C2)CCC3)cc1 ZINC000895493519 724159272 /nfs/dbraw/zinc/15/92/72/724159272.db2.gz MIKMYLAGEQNTRM-FQEVSTJZSA-N 1 0 329.488 2.977 10 10 EFCERO CCN(CC)c1ccc(C[N@@H+]2C[C@H](O)CC3(CCOCC3)C2)cc1 ZINC000895721670 724282703 /nfs/dbraw/zinc/28/27/03/724282703.db2.gz FYGCJKHTPFSIRF-LJQANCHMSA-N 1 0 332.488 2.896 10 10 EFCERO C[C@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)C[NH+]1CCCC1 ZINC000895785730 724313266 /nfs/dbraw/zinc/31/32/66/724313266.db2.gz OCOFDQRKBQWZLV-LLVKDONJSA-N 1 0 334.441 2.774 10 10 EFCERO C[NH+](C)[C@@H](CNC(=O)NCc1c(O)cccc1F)c1ccccc1 ZINC000913859476 725897341 /nfs/dbraw/zinc/89/73/41/725897341.db2.gz VPIJKIWHQLEMCQ-INIZCTEOSA-N 1 0 331.391 2.633 10 10 EFCERO C[NH+](C)[C@H](CNC(=O)NCc1c(O)cccc1F)c1ccccc1 ZINC000913859477 725897361 /nfs/dbraw/zinc/89/73/61/725897361.db2.gz VPIJKIWHQLEMCQ-MRXNPFEDSA-N 1 0 331.391 2.633 10 10 EFCERO C[C@@H]1CCC[N@H+](CCCCNC(=O)NCc2c(O)cccc2F)C1 ZINC000914100243 726040893 /nfs/dbraw/zinc/04/08/93/726040893.db2.gz VTZUPYMXURQKBZ-CQSZACIVSA-N 1 0 337.439 2.843 10 10 EFCERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCc1c(O)cccc1F ZINC000914299046 726221655 /nfs/dbraw/zinc/22/16/55/726221655.db2.gz LBWJMUQWQHFMQE-HNNXBMFYSA-N 1 0 345.418 2.503 10 10 EFCERO CC1CCN(c2ccc(CNC(=O)N[C@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000731120327 726807448 /nfs/dbraw/zinc/80/74/48/726807448.db2.gz VJTNMMDJNBJTDH-SFHVURJKSA-N 1 0 344.503 2.816 10 10 EFCERO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000907434227 726941442 /nfs/dbraw/zinc/94/14/42/726941442.db2.gz YXPTWRYZHZVSQO-LBPRGKRZSA-N 1 0 334.441 2.915 10 10 EFCERO CN(C(=O)NCc1ccc(N2CCCC2)cc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000732448971 727081320 /nfs/dbraw/zinc/08/13/20/727081320.db2.gz MNZGBAVJIKPPCD-LJQANCHMSA-N 1 0 342.487 2.665 10 10 EFCERO CC[NH+](CC)CCCNC(=O)c1c(C)oc(-n2cccc2)c1C#N ZINC000153958642 727678873 /nfs/dbraw/zinc/67/88/73/727678873.db2.gz BXWAZCSMLPKFGO-UHFFFAOYSA-N 1 0 328.416 2.712 10 10 EFCERO Cc1ncc(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cn1 ZINC000917140354 727776843 /nfs/dbraw/zinc/77/68/43/727776843.db2.gz PVZHGMNZKLEYAC-ZIAGYGMSSA-N 1 0 344.434 2.828 10 10 EFCERO Cc1ccc(C(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)c(O)c1O ZINC000182991918 727920151 /nfs/dbraw/zinc/92/01/51/727920151.db2.gz SYTFCKUEXSLXEG-AWEZNQCLSA-N 1 0 328.412 2.657 10 10 EFCERO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000055539457 727944647 /nfs/dbraw/zinc/94/46/47/727944647.db2.gz WZUZZLJUGXKXLZ-AWEZNQCLSA-N 1 0 340.427 2.712 10 10 EFCERO COc1cc(C)cc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000164509383 727955816 /nfs/dbraw/zinc/95/58/16/727955816.db2.gz ODMFJKBPGQSICI-CQSZACIVSA-N 1 0 336.432 2.808 10 10 EFCERO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)COc2ccc(C)cc2)c1 ZINC000182362940 728102531 /nfs/dbraw/zinc/10/25/31/728102531.db2.gz RZYNZCCAGDTPRL-LSDHHAIUSA-N 1 0 331.412 2.800 10 10 EFCERO C[C@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000058482984 728185597 /nfs/dbraw/zinc/18/55/97/728185597.db2.gz JSMBATSXCYGTHE-AWEZNQCLSA-N 1 0 336.455 2.565 10 10 EFCERO Cc1cc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c(O)c(C(C)(C)C)c1 ZINC000172959671 728612269 /nfs/dbraw/zinc/61/22/69/728612269.db2.gz RQYNFAMABYAVPZ-QGZVFWFLSA-N 1 0 332.488 2.905 10 10 EFCERO CCc1nsc(N2CC[NH+](Cc3cc4c(cc3O)CCC4)CC2)n1 ZINC000173472883 728627304 /nfs/dbraw/zinc/62/73/04/728627304.db2.gz AYJOZUZYSQKMRR-UHFFFAOYSA-N 1 0 344.484 2.617 10 10 EFCERO CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2CCC[N@H+](C)C2)cc1 ZINC000919657456 729063824 /nfs/dbraw/zinc/06/38/24/729063824.db2.gz MVBBIYSJFAJTLD-KRWDZBQOSA-N 1 0 332.492 2.768 10 10 EFCERO C[NH+](C)C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1 ZINC000180894118 729772053 /nfs/dbraw/zinc/77/20/53/729772053.db2.gz VPEPOLUWYVOGLR-PXUDHTSWSA-N 1 0 326.396 2.530 10 10 EFCERO CCOc1ccc(O)c(C[NH2+][C@](C)(CO)Cc2ccc(OC)cc2)c1 ZINC000873190537 1126117901 /nfs/dbraw/zinc/11/79/01/1126117901.db2.gz AQHZEZOZYZQCDG-FQEVSTJZSA-N 1 0 345.439 2.883 10 10 EFCERO O=C(Cc1ccc(O)c(O)c1)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC001569942289 1085778178 /nfs/dbraw/zinc/77/81/78/1085778178.db2.gz LHYZLEVTQJTRSQ-UHFFFAOYSA-N 1 0 346.471 2.897 10 10 EFCERO COc1ccc(C[NH2+]CC[C@H]2CCN(C(=O)[C@@H]3C[C@H]3C)C2)cc1C ZINC001569994080 1085832390 /nfs/dbraw/zinc/83/23/90/1085832390.db2.gz DDPZDFCPTNYFGQ-UWWQBHOKSA-N 1 0 330.472 2.988 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2ccnc(F)c2)cc1C ZINC001570594186 1086395205 /nfs/dbraw/zinc/39/52/05/1086395205.db2.gz YKMDILXLOHVBEA-UONOGXRCSA-N 1 0 345.418 2.834 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2ccsn2)cc1C ZINC001570611064 1086406131 /nfs/dbraw/zinc/40/61/31/1086406131.db2.gz NUQSCRFPHHOCIX-OLZOCXBDSA-N 1 0 333.457 2.757 10 10 EFCERO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)c2cc(C)on2)cc1C ZINC001571220474 1086679829 /nfs/dbraw/zinc/67/98/29/1086679829.db2.gz NNEHDQUFJVUMOL-CQSZACIVSA-N 1 0 345.443 2.988 10 10 EFCERO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)c2c[nH]nc2C)cc1C ZINC001571291712 1086700809 /nfs/dbraw/zinc/70/08/09/1086700809.db2.gz FWMXVDVSAFQQNP-AWEZNQCLSA-N 1 0 344.459 2.723 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2cccc(C)n2)cc1C ZINC001571376955 1086769460 /nfs/dbraw/zinc/76/94/60/1086769460.db2.gz BPBVAOXEIKHNBO-INIZCTEOSA-N 1 0 341.455 2.957 10 10 EFCERO Cc1ccc(C(=O)NCc2ccc(Nc3cc[nH+]cc3)cc2)c(O)c1O ZINC001647897046 1089905818 /nfs/dbraw/zinc/90/58/18/1089905818.db2.gz JEGNSZCQBYOGSI-UHFFFAOYSA-N 1 0 349.390 2.897 10 10 EFCERO COc1ccc(N2CC[NH+](C[C@@H](O)CC3CCCC3)CC2)c(OC)c1 ZINC001648084601 1089940096 /nfs/dbraw/zinc/94/00/96/1089940096.db2.gz WUJLWTQEZRGFOL-KRWDZBQOSA-N 1 0 348.487 2.767 10 10 EFCERO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C[C@@H](C)SC)C2)cc1C ZINC001267008312 1092313793 /nfs/dbraw/zinc/31/37/93/1092313793.db2.gz JYSMMBXEZKVCRR-ZBFHGGJFSA-N 1 0 336.501 2.836 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)C[C@H](C)[C@H]2CCCO2)cc1C ZINC001267014001 1092345495 /nfs/dbraw/zinc/34/54/95/1092345495.db2.gz KPXQIFSJGGXHSN-QFBILLFUSA-N 1 0 348.487 2.757 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)cc1 ZINC001586323374 1092721975 /nfs/dbraw/zinc/72/19/75/1092721975.db2.gz DUIGXIMOUSQFEK-UHFFFAOYSA-N 1 0 335.327 2.682 10 10 EFCERO COCCC(=O)N1CCC([C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001267167826 1093028757 /nfs/dbraw/zinc/02/87/57/1093028757.db2.gz WZNVKEIJSZPWTO-INIZCTEOSA-N 1 0 348.487 2.757 10 10 EFCERO Cc1cc(CC(=O)NCCNc2cc[nH+]cc2)c(C)n1-c1ccccc1 ZINC001650724798 1093488371 /nfs/dbraw/zinc/48/83/71/1093488371.db2.gz CUPYFHZXVPKPHU-UHFFFAOYSA-N 1 0 348.450 2.682 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)COC2CCCC2)cc1C ZINC001267350231 1093640361 /nfs/dbraw/zinc/64/03/61/1093640361.db2.gz QIUYIJWYXBUIMM-UHFFFAOYSA-N 1 0 334.460 2.511 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)C[C@@H]2C[C@H]2C2CC2)cc1C ZINC001267405748 1094491068 /nfs/dbraw/zinc/49/10/68/1094491068.db2.gz VOJLKGVTTHEONJ-ROUUACIJSA-N 1 0 330.472 2.988 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)c2ccn(C)c2C)cc1C ZINC001267425798 1094512792 /nfs/dbraw/zinc/51/27/92/1094512792.db2.gz BTHYQALJCMBNMN-UHFFFAOYSA-N 1 0 329.444 2.512 10 10 EFCERO CC[NH+](CC)Cc1cccc(CNC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001596368504 1094528610 /nfs/dbraw/zinc/52/86/10/1094528610.db2.gz KZUPLSYEBOOUHK-UHFFFAOYSA-N 1 0 342.439 2.799 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCC2(F)F)cc1C ZINC001268068758 1095165863 /nfs/dbraw/zinc/16/58/63/1095165863.db2.gz NBAGHRPFVDMUST-ZFWWWQNUSA-N 1 0 340.414 2.985 10 10 EFCERO COc1cc(O)c(C[N@@H+]2Cc3cnn(C)c3CC(C)(C)C2)cc1OC ZINC000828017917 1096204696 /nfs/dbraw/zinc/20/46/96/1096204696.db2.gz BOLIZCRPOUXLSO-UHFFFAOYSA-N 1 0 345.443 2.727 10 10 EFCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)c2cncs2)cc1C ZINC001268346554 1096364946 /nfs/dbraw/zinc/36/49/46/1096364946.db2.gz DDFVSXKJXYKHDW-CYBMUJFWSA-N 1 0 333.457 2.758 10 10 EFCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)c2cncs2)cc1C ZINC001268346555 1096365229 /nfs/dbraw/zinc/36/52/29/1096365229.db2.gz DDFVSXKJXYKHDW-ZDUSSCGKSA-N 1 0 333.457 2.758 10 10 EFCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCCOCC2)cc1C ZINC001268359510 1096387866 /nfs/dbraw/zinc/38/78/66/1096387866.db2.gz QMPGWFFNPJSGNI-FUHWJXTLSA-N 1 0 348.487 2.805 10 10 EFCERO CC[C@@H](CNC(=O)c1nccn1CC)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001481809944 1096723305 /nfs/dbraw/zinc/72/33/05/1096723305.db2.gz YVLMJGIWEUVCRK-INIZCTEOSA-N 1 0 344.459 2.518 10 10 EFCERO COCC(=O)NCc1ccc(C[NH2+]Cc2ccc(OC)c(C)c2)cc1 ZINC001482028257 1097111167 /nfs/dbraw/zinc/11/11/67/1097111167.db2.gz GXUXMSXFXBJDCI-UHFFFAOYSA-N 1 0 342.439 2.556 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2ccncc2Cl)cc1C ZINC001268705267 1097556195 /nfs/dbraw/zinc/55/61/95/1097556195.db2.gz JGWCGLRMGMVSCW-ZDUSSCGKSA-N 1 0 347.846 2.960 10 10 EFCERO CCc1nnc(N(C)Cc2ccccc2O)n1CC[N@@H+](CC)C(C)C ZINC001613923622 1099111665 /nfs/dbraw/zinc/11/16/65/1099111665.db2.gz YPTIIJVHEQFMJH-UHFFFAOYSA-N 1 0 345.491 2.913 10 10 EFCERO O=C(Cc1ccc(O)c(O)c1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001615462103 1099160271 /nfs/dbraw/zinc/16/02/71/1099160271.db2.gz ZVVXEJKGZLJHMW-UHFFFAOYSA-N 1 0 346.471 2.755 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2ccnc(C)c2)cc1C ZINC001268008529 1099161354 /nfs/dbraw/zinc/16/13/54/1099161354.db2.gz NYZPUOBEBVXFJX-AWEZNQCLSA-N 1 0 341.455 2.863 10 10 EFCERO C[C@@H]1C[C@@H]([NH2+]CCCF)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001671256744 1099200138 /nfs/dbraw/zinc/20/01/38/1099200138.db2.gz JUOXHNFAZZFXTQ-DOMZBBRYSA-N 1 0 349.410 2.791 10 10 EFCERO C[C@H]1C[C@H]([NH2+]CCCF)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001671256746 1099214695 /nfs/dbraw/zinc/21/46/95/1099214695.db2.gz JUOXHNFAZZFXTQ-SWLSCSKDSA-N 1 0 349.410 2.791 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)C[C@H]2CCCOC2)cc1C ZINC001270596766 1099240738 /nfs/dbraw/zinc/24/07/38/1099240738.db2.gz VEQXRZQQAXLBOE-MAUKXSAKSA-N 1 0 348.487 2.662 10 10 EFCERO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001618593429 1099307039 /nfs/dbraw/zinc/30/70/39/1099307039.db2.gz KFZULJHGXBKPRU-LSDHHAIUSA-N 1 0 331.460 2.598 10 10 EFCERO O=C(Cc1ccc(O)c(O)c1)Nc1ccc(Nc2cc[nH+]cc2)cc1 ZINC001628294346 1100085439 /nfs/dbraw/zinc/08/54/39/1100085439.db2.gz NECLLGZFCHWDKZ-UHFFFAOYSA-N 1 0 335.363 2.840 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CC[C@H]2CCCO2)cc1C ZINC001270895716 1100147598 /nfs/dbraw/zinc/14/75/98/1100147598.db2.gz MMHIUUDKEZNVAD-FUHWJXTLSA-N 1 0 348.487 2.899 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CC[C@@H]2CCCO2)cc1C ZINC001270895715 1100147714 /nfs/dbraw/zinc/14/77/14/1100147714.db2.gz MMHIUUDKEZNVAD-AEFFLSMTSA-N 1 0 348.487 2.899 10 10 EFCERO CN(C)c1ccc(CN(C(=O)CC[N@@H+]2CC[C@H](F)C2)C2CC2)cc1 ZINC001629697270 1100237306 /nfs/dbraw/zinc/23/73/06/1100237306.db2.gz APWKMQIXILWWTI-INIZCTEOSA-N 1 0 333.451 2.678 10 10 EFCERO CCOCC(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001482442795 1100254943 /nfs/dbraw/zinc/25/49/43/1100254943.db2.gz NHJNQFOPYVDHGV-SFHVURJKSA-N 1 0 348.487 2.901 10 10 EFCERO CC(C)[N@@H+]1CCC[C@@H](C(=O)NCc2ccc3cccnc3c2O)C1 ZINC001630532368 1100315910 /nfs/dbraw/zinc/31/59/10/1100315910.db2.gz JCZNCNGYQOONRK-MRXNPFEDSA-N 1 0 327.428 2.677 10 10 EFCERO O=C(Cc1ccc(O)c(O)c1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC001631815970 1100430877 /nfs/dbraw/zinc/43/08/77/1100430877.db2.gz NFCLEKADTDTHPV-UHFFFAOYSA-N 1 0 346.471 2.801 10 10 EFCERO COc1ccc(N(C)CCN(C)C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC001632048677 1100450126 /nfs/dbraw/zinc/45/01/26/1100450126.db2.gz FHPKQQABGQZYNO-FUHWJXTLSA-N 1 0 347.503 2.710 10 10 EFCERO CC(C)[C@@H]1C[C@H]1CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001635301594 1100653191 /nfs/dbraw/zinc/65/31/91/1100653191.db2.gz BLEQXSNMLBYBRQ-YTQUADARSA-N 1 0 346.519 2.947 10 10 EFCERO CC(C)[C@@H]1C[C@H]1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001635992351 1100691933 /nfs/dbraw/zinc/69/19/33/1100691933.db2.gz FJIVYMJAIACXEE-KSZLIROESA-N 1 0 332.492 2.699 10 10 EFCERO CN(C)c1ccc([C@@H](CNC(=O)c2cccc(F)c2N)[NH+](C)C)cc1 ZINC001637004841 1100750410 /nfs/dbraw/zinc/75/04/10/1100750410.db2.gz SOYWYVKJWULDOU-QGZVFWFLSA-N 1 0 344.434 2.507 10 10 EFCERO O=C1OCCN1C[C@H]1CC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000840098675 1100813285 /nfs/dbraw/zinc/81/32/85/1100813285.db2.gz JWLOASFGJRFVGW-AWEZNQCLSA-N 1 0 330.428 2.545 10 10 EFCERO O=C(Cc1ccc(O)c(O)c1)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001639675821 1100972521 /nfs/dbraw/zinc/97/25/21/1100972521.db2.gz IUTKDYXMSZDRCU-MRXNPFEDSA-N 1 0 332.444 2.554 10 10 EFCERO Cc1cc(C(=O)N(C)CC2C[NH+](C)C2)c(C)n1-c1ccc(F)cc1 ZINC001639999176 1101001829 /nfs/dbraw/zinc/00/18/29/1101001829.db2.gz ATNZHWJNMNJOLC-UHFFFAOYSA-N 1 0 329.419 2.867 10 10 EFCERO CC[NH+](CC)[C@@H](CNC(=O)c1c(F)ccc(O)c1O)CC(C)C ZINC001641355705 1101128269 /nfs/dbraw/zinc/12/82/69/1101128269.db2.gz AZTOCHHQWPGCNO-GFCCVEGCSA-N 1 0 326.412 2.723 10 10 EFCERO CC1CC[NH+](CC[C@@H]2CCCN2C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001642758526 1101238636 /nfs/dbraw/zinc/23/86/36/1101238636.db2.gz OEADDITXGVKIBO-KRWDZBQOSA-N 1 0 346.471 2.753 10 10 EFCERO CC(C)=CC[NH2+]C[C@H](C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001271229588 1101302635 /nfs/dbraw/zinc/30/26/35/1101302635.db2.gz YYUOUGPSMDXSBN-ZDUSSCGKSA-N 1 0 331.420 2.865 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](CC(C)C)NC(=O)c2ncc[nH]2)cc1C ZINC001271260812 1101327849 /nfs/dbraw/zinc/32/78/49/1101327849.db2.gz BNEVGQKEQRWJFP-MRXNPFEDSA-N 1 0 344.459 2.661 10 10 EFCERO CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)n(-c3ccccn3)c2C)C(C)(C)C1 ZINC001652603896 1101520749 /nfs/dbraw/zinc/52/07/49/1101520749.db2.gz PTDMUQYWGQSGKX-QGZVFWFLSA-N 1 0 340.471 2.949 10 10 EFCERO CCC[C@H](O)C[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848530717 1101527218 /nfs/dbraw/zinc/52/72/18/1101527218.db2.gz JRRBEKKWTHTZDJ-ONGXEEELSA-N 1 0 332.238 2.975 10 10 EFCERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1O ZINC001655347440 1101814611 /nfs/dbraw/zinc/81/46/11/1101814611.db2.gz XXHZRTSEVSAWSU-NEPJUHHUSA-N 1 0 329.356 2.978 10 10 EFCERO CCOCCC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001271470194 1101995178 /nfs/dbraw/zinc/99/51/78/1101995178.db2.gz GEMYLRUDOZZVMB-AEFFLSMTSA-N 1 0 348.487 2.757 10 10 EFCERO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)CC(C)(C)O)C2)cc1C ZINC001656285429 1102024752 /nfs/dbraw/zinc/02/47/52/1102024752.db2.gz VSRSCNVXAIJSFP-DLBZAZTESA-N 1 0 348.487 2.539 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)NC[C@H]([NH2+]CC2CCC2)C2CC2)cc1 ZINC001266445510 1102104053 /nfs/dbraw/zinc/10/40/53/1102104053.db2.gz SLYYWFNNQRSPLG-INIZCTEOSA-N 1 0 343.431 2.747 10 10 EFCERO COc1ccc(C[NH2+][C@H](CNC(=O)c2ccn(C)c2)C(C)C)cc1C ZINC001482525174 1102661019 /nfs/dbraw/zinc/66/10/19/1102661019.db2.gz NMWHCAPOURUKCF-GOSISDBHSA-N 1 0 343.471 2.886 10 10 EFCERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2ccncc2)C(C)C)cc1C ZINC001271799576 1102705810 /nfs/dbraw/zinc/70/58/10/1102705810.db2.gz MPORHEAIOCOMHW-SFHVURJKSA-N 1 0 341.455 2.943 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)C2(C(F)F)CC2)cc1C ZINC001266940203 1102738642 /nfs/dbraw/zinc/73/86/42/1102738642.db2.gz XPZSMJGZIWLXKH-GFCCVEGCSA-N 1 0 326.387 2.643 10 10 EFCERO COc1csc(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)c1 ZINC001266961660 1102792263 /nfs/dbraw/zinc/79/22/63/1102792263.db2.gz VXHKYZULKRLSKV-CYBMUJFWSA-N 1 0 348.468 2.982 10 10 EFCERO COc1ccc(C[NH2+][C@H](CNC(=O)C2=CCOCC2)C(C)C)cc1C ZINC001271830400 1102848970 /nfs/dbraw/zinc/84/89/70/1102848970.db2.gz QJTPRTZZCXPGOT-GOSISDBHSA-N 1 0 346.471 2.581 10 10 EFCERO c1ccc(N2CCN(CC[NH2+]Cc3ccc4c(c3)CCO4)CC2)cc1 ZINC001660868168 1103010267 /nfs/dbraw/zinc/01/02/67/1103010267.db2.gz YEQIHFIVXWVVLQ-UHFFFAOYSA-N 1 0 337.467 2.533 10 10 EFCERO COc1ccc(C[NH2+][C@H](CNC(=O)Cc2ccc[nH]2)C2CC2)cc1C ZINC001661193244 1103162763 /nfs/dbraw/zinc/16/27/63/1103162763.db2.gz UDVHIVCCNFLTGI-GOSISDBHSA-N 1 0 341.455 2.559 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2Cc3ccccc32)cc1C ZINC001483261150 1103178545 /nfs/dbraw/zinc/17/85/45/1103178545.db2.gz VFFKPPSEHSAAPJ-HNAYVOBHSA-N 1 0 338.451 2.938 10 10 EFCERO c1ccc([C@H](C[NH2+]Cc2ccc3c(c2)CCO3)N2CCOCC2)cc1 ZINC000077325690 1103201303 /nfs/dbraw/zinc/20/13/03/1103201303.db2.gz MULCNPOMJNAAEM-FQEVSTJZSA-N 1 0 338.451 2.785 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2ccn(C(C)C)n2)cc1C ZINC001483271425 1103211276 /nfs/dbraw/zinc/21/12/76/1103211276.db2.gz ONFGHLWNUXXDFK-HNNXBMFYSA-N 1 0 344.459 2.689 10 10 EFCERO Oc1cc2c(cc1C[N@@H+]1CC[C@@]3(CC(F)(F)C3(F)F)C1)OCO2 ZINC000905678529 1103492812 /nfs/dbraw/zinc/49/28/12/1103492812.db2.gz OZEGZARANBDNKL-CYBMUJFWSA-N 1 0 333.281 2.987 10 10 EFCERO Oc1cc2c(cc1C[N@@H+]1CC[C@]3(CC(F)(F)C3(F)F)C1)[C@H](O)CO2 ZINC000905678820 1103494205 /nfs/dbraw/zinc/49/42/05/1103494205.db2.gz RBCQQAXFYYNYQW-OCCSQVGLSA-N 1 0 347.308 2.684 10 10 EFCERO C[C@@]1([C@H]2CCC[N@H+](Cc3cc4c(cc3O)CCCC4)C2)COC(=O)N1 ZINC000905701824 1103511045 /nfs/dbraw/zinc/51/10/45/1103511045.db2.gz RYPCVVDBUHAKTE-PXNSSMCTSA-N 1 0 344.455 2.982 10 10 EFCERO C[C@@]1([C@H]2CCC[N@H+](Cc3c(O)ccc4ccncc43)C2)COC(=O)N1 ZINC000905706001 1103517332 /nfs/dbraw/zinc/51/73/32/1103517332.db2.gz DMAIHIMHFMDFSO-LIRRHRJNSA-N 1 0 341.411 2.651 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)Cc2ccsc2)cc1C ZINC001662155757 1103603325 /nfs/dbraw/zinc/60/33/25/1103603325.db2.gz CTWIODUROQAOAX-AWEZNQCLSA-N 1 0 332.469 2.902 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2ncccc2C)cc1C ZINC001662189806 1103618578 /nfs/dbraw/zinc/61/85/78/1103618578.db2.gz LYABPZMWGFMYKQ-HNNXBMFYSA-N 1 0 327.428 2.615 10 10 EFCERO CCCn1nccc1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001662229654 1103631042 /nfs/dbraw/zinc/63/10/42/1103631042.db2.gz JVTXVXCEACZFIH-OAHLLOKOSA-N 1 0 344.459 2.518 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)C2CCC(OC)CC2)cc1C ZINC001664151665 1104301858 /nfs/dbraw/zinc/30/18/58/1104301858.db2.gz WPBXHQIIDWQICT-UHFFFAOYSA-N 1 0 348.487 2.757 10 10 EFCERO O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000841710341 1104665341 /nfs/dbraw/zinc/66/53/41/1104665341.db2.gz WCONFHWNUZANBC-HXUWFJFHSA-N 1 0 342.487 2.572 10 10 EFCERO CC[C@H](CNC(=O)c1coc(C)n1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001665782675 1104783497 /nfs/dbraw/zinc/78/34/97/1104783497.db2.gz ROXTUWBYYGKOJD-OAHLLOKOSA-N 1 0 331.416 2.598 10 10 EFCERO CC[C@@H](CNC(=O)c1coc(C)n1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001665782674 1104783618 /nfs/dbraw/zinc/78/36/18/1104783618.db2.gz ROXTUWBYYGKOJD-HNNXBMFYSA-N 1 0 331.416 2.598 10 10 EFCERO C[C@@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1ccc(Cl)cc1O ZINC000841755575 1104821887 /nfs/dbraw/zinc/82/18/87/1104821887.db2.gz JIQULXQIVCSDKA-YPMHNXCESA-N 1 0 346.880 2.510 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2ccns2)cc1C ZINC001666559056 1104962553 /nfs/dbraw/zinc/96/25/53/1104962553.db2.gz XFMKVRJBPRIPOZ-LBPRGKRZSA-N 1 0 333.457 2.616 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2ncccc2F)cc1C ZINC001666640294 1104973125 /nfs/dbraw/zinc/97/31/25/1104973125.db2.gz COWPUIOWMIRXPC-CYBMUJFWSA-N 1 0 345.418 2.693 10 10 EFCERO CCc1cc(C(=O)NC[C@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)no1 ZINC001666651930 1104975872 /nfs/dbraw/zinc/97/58/72/1104975872.db2.gz KOCQNXBGFBGDHD-CYBMUJFWSA-N 1 0 345.443 2.710 10 10 EFCERO C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C[NH2+]CCC1CC1 ZINC001666671961 1104978446 /nfs/dbraw/zinc/97/84/46/1104978446.db2.gz BGYFKIJUFLOUPD-LBPRGKRZSA-N 1 0 331.420 2.605 10 10 EFCERO C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C[NH2+]CCC1CC1 ZINC001666671960 1104978579 /nfs/dbraw/zinc/97/85/79/1104978579.db2.gz BGYFKIJUFLOUPD-GFCCVEGCSA-N 1 0 331.420 2.605 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)CC2(C)CCCC2)cc1C ZINC001482727716 1104985531 /nfs/dbraw/zinc/98/55/31/1104985531.db2.gz QRKXAGUXXHOMIM-KRWDZBQOSA-N 1 0 348.487 2.541 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)CC2(C)CCCC2)cc1C ZINC001482727718 1104985795 /nfs/dbraw/zinc/98/57/95/1104985795.db2.gz QRKXAGUXXHOMIM-QGZVFWFLSA-N 1 0 348.487 2.541 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2[C@@H]3CCC[C@@H]32)cc1C ZINC001666875863 1105011739 /nfs/dbraw/zinc/01/17/39/1105011739.db2.gz BUFRMMJIFZUPDQ-NWGLXNPWSA-N 1 0 330.472 2.986 10 10 EFCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)c2ccc(F)cn2)cc1C ZINC001482824099 1105055178 /nfs/dbraw/zinc/05/51/78/1105055178.db2.gz DDJODWBMWKEKAK-CQSZACIVSA-N 1 0 345.418 2.836 10 10 EFCERO CC(C)C[C@H](C[NH2+]CC1CC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001667118863 1105055617 /nfs/dbraw/zinc/05/56/17/1105055617.db2.gz WXRWSRWCHVHZIK-MRXNPFEDSA-N 1 0 345.447 2.993 10 10 EFCERO C[C@@H](CC[NH2+]C/C=C\Cl)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001668325219 1105281972 /nfs/dbraw/zinc/28/19/72/1105281972.db2.gz HRSMSFUEKXMACU-OWAQTKRKSA-N 1 0 337.811 2.700 10 10 EFCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)[C@H]2CCC2(F)F)cc1C ZINC001668877924 1105391318 /nfs/dbraw/zinc/39/13/18/1105391318.db2.gz SBHGHFLXZZILCZ-NHZBNJEXSA-N 1 0 338.398 2.811 10 10 EFCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)c2cocc2C)cc1C ZINC001668979542 1105410282 /nfs/dbraw/zinc/41/02/82/1105410282.db2.gz VPVJGVGTWYMORD-SNAWJCMRSA-N 1 0 328.412 2.981 10 10 EFCERO COc1ccc(C[NH2+]CCCN(C)C(=O)Cc2ccc[nH]2)cc1C ZINC001670352427 1105623469 /nfs/dbraw/zinc/62/34/69/1105623469.db2.gz CLSOBYBCCSLVRA-UHFFFAOYSA-N 1 0 329.444 2.513 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)COC(C)C)C[C@@H]2C)cc1C ZINC001672260272 1105787322 /nfs/dbraw/zinc/78/73/22/1105787322.db2.gz LIQXNIOWYTZCQW-FUHWJXTLSA-N 1 0 348.487 2.613 10 10 EFCERO C[C@@H]1CC[C@@H](CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001672371713 1105815377 /nfs/dbraw/zinc/81/53/77/1105815377.db2.gz YJWMIDYFDBOYCU-SJLPKXTDSA-N 1 0 344.503 2.674 10 10 EFCERO C[C@@H]1[C@@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC[N@@H+]1C ZINC000925318333 1106047456 /nfs/dbraw/zinc/04/74/56/1106047456.db2.gz FKHOJGWTMNIARP-KDOFPFPSSA-N 1 0 330.476 2.519 10 10 EFCERO CC(C)=CC[NH2+][C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1C ZINC001673933509 1106105560 /nfs/dbraw/zinc/10/55/60/1106105560.db2.gz LGMPXWWZHMKELU-BBRMVZONSA-N 1 0 343.431 2.865 10 10 EFCERO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000897961046 1106167872 /nfs/dbraw/zinc/16/78/72/1106167872.db2.gz IPPVZCYXDQFONY-NSHDSACASA-N 1 0 334.441 2.774 10 10 EFCERO CCCN(C(=O)c1cc2cc(O)c(O)cc2s1)[C@H]1CC[N@H+](C)C1 ZINC000898083733 1106228156 /nfs/dbraw/zinc/22/81/56/1106228156.db2.gz ZSAOMHIFWYXVKA-LBPRGKRZSA-N 1 0 334.441 2.869 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)Cc2ccc[nH]2)cc1C ZINC001674775143 1106255320 /nfs/dbraw/zinc/25/53/20/1106255320.db2.gz UQPVXGWTRXCJOV-CABCVRRESA-N 1 0 329.444 2.557 10 10 EFCERO COc1ccc(N2CCN(C[C@@H]3CC[C@@H](C(F)(F)F)O3)CC2)cc1 ZINC000929153311 1106295270 /nfs/dbraw/zinc/29/52/70/1106295270.db2.gz YBXPXNWWNLGGJK-HOTGVXAUSA-N 1 0 344.377 2.927 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2oncc2C)cc1C ZINC001676456001 1106530989 /nfs/dbraw/zinc/53/09/89/1106530989.db2.gz YTPZBWHSTQXBEV-CQSZACIVSA-N 1 0 331.416 2.550 10 10 EFCERO C[C@H](F)CC[NH2+][C@@H](C)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001676487652 1106534992 /nfs/dbraw/zinc/53/49/92/1106534992.db2.gz HSCNGFNNNPALRZ-RYUDHWBXSA-N 1 0 337.399 2.647 10 10 EFCERO C[C@H](CN(C)C(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CC[C@H](C)F ZINC001676487651 1106535356 /nfs/dbraw/zinc/53/53/56/1106535356.db2.gz HSCNGFNNNPALRZ-NWDGAFQWSA-N 1 0 337.399 2.647 10 10 EFCERO C[C@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1cc(Br)ccc1O ZINC000926949375 1108235662 /nfs/dbraw/zinc/23/56/62/1108235662.db2.gz PHTIVOONNYMWHY-HOZXKAFVSA-N 1 0 342.233 2.609 10 10 EFCERO CCO[C@H](C[NH2+][C@H](C)c1ccc(Br)cc1O)CN(C)C ZINC000926957414 1108266216 /nfs/dbraw/zinc/26/62/16/1108266216.db2.gz BHSAHTGCRIDXNY-DGCLKSJQSA-N 1 0 345.281 2.772 10 10 EFCERO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC001682101675 1108569852 /nfs/dbraw/zinc/56/98/52/1108569852.db2.gz ULRCUQBZBGWCDC-LPHOPBHVSA-N 1 0 346.519 2.776 10 10 EFCERO O=C(NCc1ccc(Nc2cc[nH+]cc2)cc1)NCc1ccccc1O ZINC001683066237 1108660957 /nfs/dbraw/zinc/66/09/57/1108660957.db2.gz LFMXSQDFNRZPOH-UHFFFAOYSA-N 1 0 348.406 2.952 10 10 EFCERO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000898582907 1109021991 /nfs/dbraw/zinc/02/19/91/1109021991.db2.gz RLMBWOLODJNPFQ-NSHDSACASA-N 1 0 334.441 2.915 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2C[C@H](CO)C2)c1O ZINC000927145764 1109070455 /nfs/dbraw/zinc/07/04/55/1109070455.db2.gz RZQHUBSZGALSJL-QXEWZRGKSA-N 1 0 330.222 2.585 10 10 EFCERO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C12CCC2 ZINC000898825563 1109099840 /nfs/dbraw/zinc/09/98/40/1109099840.db2.gz KMNDSQXMDMWDHY-HZPDHXFCSA-N 1 0 346.452 2.915 10 10 EFCERO CC[C@@H]([NH2+][C@H](CC)c1cc(Br)ccc1O)C(=O)NC ZINC000697921517 1109224835 /nfs/dbraw/zinc/22/48/35/1109224835.db2.gz WAIXDNOBRORYCZ-VXGBXAGGSA-N 1 0 329.238 2.720 10 10 EFCERO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000899202691 1109245598 /nfs/dbraw/zinc/24/55/98/1109245598.db2.gz ZEGUYTZYLXPIRD-RYUDHWBXSA-N 1 0 332.425 2.621 10 10 EFCERO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)CCC(C)C)CCO2)cc1C ZINC001484666714 1113104695 /nfs/dbraw/zinc/10/46/95/1113104695.db2.gz HAPWZOLVOQYZPW-SFHVURJKSA-N 1 0 348.487 2.757 10 10 EFCERO COc1ccc(C[NH2+]CC2CC(NC(=O)[C@@H](OC)C(C)C)C2)cc1C ZINC001485100715 1118036651 /nfs/dbraw/zinc/03/66/51/1118036651.db2.gz IGIMWRVITZMFTF-TVPLGVNVSA-N 1 0 348.487 2.659 10 10 EFCERO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(-c3cnn(C)c3)no2)c1 ZINC000185053158 1119692293 /nfs/dbraw/zinc/69/22/93/1119692293.db2.gz ZKFTWKSWKPKDIR-NSHDSACASA-N 1 0 328.372 2.640 10 10 EFCERO COc1nc(C)ccc1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000066992144 215101211 /nfs/dbraw/zinc/10/12/11/215101211.db2.gz MZIZNGPJJVPUBE-UHFFFAOYSA-N 1 0 345.418 2.664 10 10 EFCERO CC[C@@H]1CN(c2ccc([C@@H](C)[NH3+])cc2Br)CCN1C ZINC000104129682 219349608 /nfs/dbraw/zinc/34/96/08/219349608.db2.gz ZAZAKZRFAFUJLB-DGCLKSJQSA-N 1 0 326.282 2.999 10 10 EFCERO C[C@H]([NH3+])c1ccc(N2[C@@H]3CC[C@H]2CC(O)C3)c(Br)c1 ZINC000104272785 219368178 /nfs/dbraw/zinc/36/81/78/219368178.db2.gz HNJKKRPDONEMBG-KYTZWMPUSA-N 1 0 325.250 2.961 10 10 EFCERO Cc1cc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c(C)n1-c1ccccn1 ZINC000158861497 239017736 /nfs/dbraw/zinc/01/77/36/239017736.db2.gz DYZMJUIJPJTRJB-KBXCAEBGSA-N 1 0 340.471 2.948 10 10 EFCERO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000159655496 239033114 /nfs/dbraw/zinc/03/31/14/239033114.db2.gz LPSVPZFMAQDEJI-QRVBRYPASA-N 1 0 328.456 2.570 10 10 EFCERO COc1cc(O)c(C[NH+]2CCC(c3ccnn3C)CC2)cc1OC ZINC000160241751 239047707 /nfs/dbraw/zinc/04/77/07/239047707.db2.gz CHLWTPQLGYGVJR-UHFFFAOYSA-N 1 0 331.416 2.523 10 10 EFCERO CCn1cnnc1[C@H]1CCC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000175625131 239278091 /nfs/dbraw/zinc/27/80/91/239278091.db2.gz MCMMXZRBJQFLGC-ZDUSSCGKSA-N 1 0 346.406 2.725 10 10 EFCERO O=C1[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CCN1Cc1ccc(F)cc1 ZINC000191771920 240005767 /nfs/dbraw/zinc/00/57/67/240005767.db2.gz YZNFRYQGDZPGDR-GOSISDBHSA-N 1 0 340.398 2.651 10 10 EFCERO Cc1cc(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c(C)n1-c1ccccn1 ZINC000195061693 240201882 /nfs/dbraw/zinc/20/18/82/240201882.db2.gz HDZRSADTJSMGDE-QGZVFWFLSA-N 1 0 338.455 2.799 10 10 EFCERO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1Cc2ccccc2[C@H]1O ZINC000245856444 240262272 /nfs/dbraw/zinc/26/22/72/240262272.db2.gz NODKIMOLGJRZLZ-LEWJYISDSA-N 1 0 338.451 2.613 10 10 EFCERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000246128818 240265033 /nfs/dbraw/zinc/26/50/33/240265033.db2.gz ZIJNMAMUZYJPOA-YJBOKZPZSA-N 1 0 332.492 2.624 10 10 EFCERO Cc1cc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c(C)n1-c1ccccn1 ZINC000247527506 240281381 /nfs/dbraw/zinc/28/13/81/240281381.db2.gz XESLRRNNUDETRG-WBVHZDCISA-N 1 0 338.455 2.798 10 10 EFCERO COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1cc(F)cc(C(C)=O)c1O ZINC000248806887 240295915 /nfs/dbraw/zinc/29/59/15/240295915.db2.gz GYVIZCKLAPHNDM-PJODQICGSA-N 1 0 335.375 2.507 10 10 EFCERO Cc1cc(N2CCC[C@@H]([NH2+][C@H]3CCc4cccc(O)c43)C2)n(C)n1 ZINC000296582539 241090974 /nfs/dbraw/zinc/09/09/74/241090974.db2.gz WBTHSLOJXWGHJI-CVEARBPZSA-N 1 0 326.444 2.680 10 10 EFCERO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000362334232 242250780 /nfs/dbraw/zinc/25/07/80/242250780.db2.gz GLCYODBOEKYWLE-HXUWFJFHSA-N 1 0 340.471 2.902 10 10 EFCERO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]Cc3ccccc3F)cc2)C1 ZINC000054179346 132190021 /nfs/dbraw/zinc/19/00/21/132190021.db2.gz PEQQJIVBJAWNAX-KRWDZBQOSA-N 1 0 341.430 2.817 10 10 EFCERO C[C@H]1C[C@@H](C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC[N@@H+]1C ZINC000279186152 300397189 /nfs/dbraw/zinc/39/71/89/300397189.db2.gz KVBHHPIHQDMUCI-XYJFISCASA-N 1 0 346.471 2.630 10 10 EFCERO COc1ccc(CN2CC[C@H]2C[NH2+]Cc2cccc(OC)c2O)cc1 ZINC000527772053 316456287 /nfs/dbraw/zinc/45/62/87/316456287.db2.gz IBVYGCJYJRMUGH-KRWDZBQOSA-N 1 0 342.439 2.774 10 10 EFCERO CCOc1ccc(C[NH2+][C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1C ZINC000095985024 473244270 /nfs/dbraw/zinc/24/42/70/473244270.db2.gz FFKAWIJXYVVERN-RDJZCZTQSA-N 1 0 325.474 2.839 10 10 EFCERO CCn1cc([C@@H]2OCC[C@H]2C[NH2+]Cc2ccc3c(c2)CCO3)cn1 ZINC000083843517 473368405 /nfs/dbraw/zinc/36/84/05/473368405.db2.gz JZWPVZAKHBBEQP-QFBILLFUSA-N 1 0 327.428 2.705 10 10 EFCERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000177411067 473372667 /nfs/dbraw/zinc/37/26/67/473372667.db2.gz ZHFCYTXGJXETNC-LJQANCHMSA-N 1 0 344.503 2.913 10 10 EFCERO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)c1 ZINC000185267863 473382150 /nfs/dbraw/zinc/38/21/50/473382150.db2.gz GBJRBCQMYKHVPM-AWEZNQCLSA-N 1 0 345.418 2.922 10 10 EFCERO C[C@@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1ccc(F)c(F)c1 ZINC000007219146 471599428 /nfs/dbraw/zinc/59/94/28/471599428.db2.gz FGUTZVOIXSQVOX-CYBMUJFWSA-N 1 0 347.409 2.998 10 10 EFCERO Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000076042658 472248760 /nfs/dbraw/zinc/24/87/60/472248760.db2.gz OWWKDEYEYPANDL-FXAWDEMLSA-N 1 0 341.455 2.839 10 10 EFCERO COC(=O)/C=C/c1ccc(N2CCC[N@@H+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000068916323 472265353 /nfs/dbraw/zinc/26/53/53/472265353.db2.gz WLEGVDDFRVVARS-SOFGYWHQSA-N 1 0 347.415 2.702 10 10 EFCERO Cc1cc(O)c(C[N@@H+]2CCCN(C(=O)c3ccccn3)CC2)cc1C ZINC000057103837 472382593 /nfs/dbraw/zinc/38/25/93/472382593.db2.gz HIAGEIRMQVHUAR-UHFFFAOYSA-N 1 0 339.439 2.752 10 10 EFCERO Cc1n[nH]cc1C[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000071819617 472572365 /nfs/dbraw/zinc/57/23/65/472572365.db2.gz CMPQOCYJEOXQHU-STQMWFEESA-N 1 0 332.423 2.761 10 10 EFCERO CC[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1cc(Br)ccc1O ZINC000091667352 472790982 /nfs/dbraw/zinc/79/09/82/472790982.db2.gz ZXYWUOBDDPTPRL-TZMCWYRMSA-N 1 0 343.265 2.526 10 10 EFCERO Cc1cc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)ncn1 ZINC000091676389 472791484 /nfs/dbraw/zinc/79/14/84/472791484.db2.gz ASAHTNHGTQJNOU-UHFFFAOYSA-N 1 0 337.471 2.929 10 10 EFCERO CCOc1ccc(O)c(C[N@H+](CCO)Cc2ccccc2OC)c1 ZINC000091790687 472808142 /nfs/dbraw/zinc/80/81/42/472808142.db2.gz DXGYVWSOMRPONZ-UHFFFAOYSA-N 1 0 331.412 2.794 10 10 EFCERO CCc1noc([C@@H](C)N2CC[NH+](Cc3cc(C)ccc3O)CC2)n1 ZINC000121408518 472846957 /nfs/dbraw/zinc/84/69/57/472846957.db2.gz WTGZFQJRGYRHIZ-CQSZACIVSA-N 1 0 330.432 2.525 10 10 EFCERO CCOc1ccc(O)c(C[N@@H+]2CCNC(=O)C[C@@H]2c2ccccc2)c1 ZINC000092076105 472855141 /nfs/dbraw/zinc/85/51/41/472855141.db2.gz YDHBNVJSRAEDOC-GOSISDBHSA-N 1 0 340.423 2.854 10 10 EFCERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000121503814 472863294 /nfs/dbraw/zinc/86/32/94/472863294.db2.gz CTDMEIYDTVOMDV-APWZRJJASA-N 1 0 342.487 2.591 10 10 EFCERO CCOc1cccc(C[N@@H+]2CCC[C@@H](Cc3noc(C)n3)C2)c1O ZINC000092813955 472992361 /nfs/dbraw/zinc/99/23/61/472992361.db2.gz JWRIGFOVOKYPBT-AWEZNQCLSA-N 1 0 331.416 2.937 10 10 EFCERO COc1cccc(C[NH+]2CCC(NC(=O)c3ccoc3C)CC2)c1O ZINC000093010431 473025276 /nfs/dbraw/zinc/02/52/76/473025276.db2.gz 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COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CC[NH2+]C[C@@H]3C)ccc21 ZINC000565151929 478925829 /nfs/dbraw/zinc/92/58/29/478925829.db2.gz SFHQGFJPDQOKBB-SCLBCKFNSA-N 1 0 343.471 2.632 10 10 EFCERO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000566296982 479090205 /nfs/dbraw/zinc/09/02/05/479090205.db2.gz JSQQCXOENUPOHM-CVEARBPZSA-N 1 0 331.460 2.776 10 10 EFCERO COc1ccc(CN2CC[C@H]2C[NH2+]Cc2cc(OC)ccc2O)cc1 ZINC000529642100 479234094 /nfs/dbraw/zinc/23/40/94/479234094.db2.gz DZSFQXUOLKJSGU-KRWDZBQOSA-N 1 0 342.439 2.774 10 10 EFCERO COc1ccc(CC[NH2+]Cc2ccc(Br)cc2O)cn1 ZINC000529660861 479237369 /nfs/dbraw/zinc/23/73/69/479237369.db2.gz GLIBJNNGVXCGQG-UHFFFAOYSA-N 1 0 337.217 2.891 10 10 EFCERO Cc1cc(Cl)cc(CN2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c1O ZINC000529676713 479245544 /nfs/dbraw/zinc/24/55/44/479245544.db2.gz SZEZKVAURFRPMG-KGLIPLIRSA-N 1 0 329.849 2.506 10 10 EFCERO C[NH2+]C1CCN(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)CC1 ZINC000584846245 479261271 /nfs/dbraw/zinc/26/12/71/479261271.db2.gz JRUKXYIBAZLKTN-UHFFFAOYSA-N 1 0 343.471 2.729 10 10 EFCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccncc2)C1 ZINC000557659083 479299756 /nfs/dbraw/zinc/29/97/56/479299756.db2.gz SDCLVHDRCWUZJQ-UHFFFAOYSA-N 1 0 348.450 2.863 10 10 EFCERO O=C1CCN(Cc2cccc3c2CC[NH2+]C3)c2ccc(F)cc2N1 ZINC000662258012 481672577 /nfs/dbraw/zinc/67/25/77/481672577.db2.gz WEQHURVOXDHFKW-UHFFFAOYSA-N 1 0 325.387 2.820 10 10 EFCERO CC(C)Oc1ccc(N(C)C(=O)c2cn[nH]c2[C@H]2CC[NH2+]C2)cc1 ZINC000662808465 481979687 /nfs/dbraw/zinc/97/96/87/481979687.db2.gz ANLOQEDLQPYNCM-ZDUSSCGKSA-N 1 0 328.416 2.550 10 10 EFCERO COc1cccc(C[NH2+]CC2(CNC(=O)OC(C)(C)C)CC2)c1O ZINC000298095842 526012876 /nfs/dbraw/zinc/01/28/76/526012876.db2.gz NCDVIIIRGFAHQA-UHFFFAOYSA-N 1 0 336.432 2.795 10 10 EFCERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(N2CCOCC2)cc1 ZINC000184054561 529305929 /nfs/dbraw/zinc/30/59/29/529305929.db2.gz FVGHXKLKLOFSPL-AZUAARDMSA-N 1 0 329.488 2.582 10 10 EFCERO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2COC3(CCOCC3)O2)cc1 ZINC000245611187 535765725 /nfs/dbraw/zinc/76/57/25/535765725.db2.gz VOUSNGGAHBKDIQ-YJBOKZPZSA-N 1 0 334.460 2.715 10 10 EFCERO COc1ccc(-n2c(C)cc(C(=O)N[C@H]3CCC[C@H]3C[NH3+])c2C)cc1 ZINC000237507637 536551689 /nfs/dbraw/zinc/55/16/89/536551689.db2.gz ZFBNACRVUNMWLO-KXBFYZLASA-N 1 0 341.455 2.960 10 10 EFCERO COC1CCN(c2ccc(CN3CC[NH+](C4CC4)CC3)cc2)CC1 ZINC000295448982 536756418 /nfs/dbraw/zinc/75/64/18/536756418.db2.gz GZAUIZCGYAOVNM-UHFFFAOYSA-N 1 0 329.488 2.582 10 10 EFCERO CN(C)c1ccc(C[NH2+]CCCN2CCOC2=O)c(C(F)(F)F)c1 ZINC000280809813 545655798 /nfs/dbraw/zinc/65/57/98/545655798.db2.gz HYOHFNDEOHLIQO-UHFFFAOYSA-N 1 0 345.365 2.703 10 10 EFCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cnccn2)C1 ZINC000683439516 549900238 /nfs/dbraw/zinc/90/02/38/549900238.db2.gz QJBZKDNVOZBWLX-UHFFFAOYSA-N 1 0 349.438 2.837 10 10 EFCERO C[NH+]1CCC(CC(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000753982745 575370380 /nfs/dbraw/zinc/37/03/80/575370380.db2.gz LDPKUPFQEMJCOX-UHFFFAOYSA-N 1 0 347.528 2.588 10 10 EFCERO COC(=O)c1cc2ccccc2c(C[N@@H+]2CCOC[C@@H](C)C2)c1O ZINC000753992938 575372426 /nfs/dbraw/zinc/37/24/26/575372426.db2.gz MSUQYOHTCFIJJE-ZDUSSCGKSA-N 1 0 329.396 2.800 10 10 EFCERO COc1cc(C)cc(C[N@@H+]2CCNC(=O)C[C@@H]2c2ccccc2)c1O ZINC000754722492 575477415 /nfs/dbraw/zinc/47/74/15/575477415.db2.gz IQLLHGFINAWUJT-QGZVFWFLSA-N 1 0 340.423 2.772 10 10 EFCERO COc1cc(C)cc(C[NH+]2CCC(c3nnc4n3CCC4)CC2)c1O ZINC000754723910 575477532 /nfs/dbraw/zinc/47/75/32/575477532.db2.gz XXJXOJBFQHPWOU-UHFFFAOYSA-N 1 0 342.443 2.627 10 10 EFCERO C[C@@H]1CN(C)C[C@H]1[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000756121958 575688461 /nfs/dbraw/zinc/68/84/61/575688461.db2.gz SCMDUUFSBUTNHG-JKIFEVAISA-N 1 0 339.430 2.797 10 10 EFCERO CC[NH+]1CCC(CC[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2[O-])CC1 ZINC000756609083 575767352 /nfs/dbraw/zinc/76/73/52/575767352.db2.gz FGOUIBBOZVCHSN-AWEZNQCLSA-N 1 0 334.460 2.951 10 10 EFCERO C[C@H](CC[NH2+][C@@H](C)c1cc(Br)ccc1O)[S@@](C)=O ZINC000756762632 575784816 /nfs/dbraw/zinc/78/48/16/575784816.db2.gz PMMIKSTUKQJZMZ-AUSHCKSDSA-N 1 0 334.279 2.962 10 10 EFCERO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000757801928 575853454 /nfs/dbraw/zinc/85/34/54/575853454.db2.gz YLWIYCIVGFPRRR-QUCCMNQESA-N 1 0 346.471 2.735 10 10 EFCERO CCCN(CCC)c1ccc(C[N@@H+]2CCN3CCOC[C@@H]3C2)cc1 ZINC000757930352 575856072 /nfs/dbraw/zinc/85/60/72/575856072.db2.gz NSYODGOZGLLDPU-FQEVSTJZSA-N 1 0 331.504 2.829 10 10 EFCERO C[C@@H]([NH2+][C@H]1CCCN(C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000765281838 577026827 /nfs/dbraw/zinc/02/68/27/577026827.db2.gz SVDLCIMFBABDAQ-CABCVRRESA-N 1 0 337.895 2.921 10 10 EFCERO CC[S@](=O)CC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765938668 577090097 /nfs/dbraw/zinc/09/00/97/577090097.db2.gz ABQDNMCKEOYENH-DMZKTXOQSA-N 1 0 344.908 2.596 10 10 EFCERO CCOc1ccc(C[NH+]2CCC(C(=O)N3CCCC3)CC2)c(O)c1 ZINC000768216226 577261318 /nfs/dbraw/zinc/26/13/18/577261318.db2.gz SENKEUZTQNEUDO-UHFFFAOYSA-N 1 0 332.444 2.625 10 10 EFCERO CN(Cc1cc2c(cc1O)OCO2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000768245565 577262670 /nfs/dbraw/zinc/26/26/70/577262670.db2.gz SZNWCMRUUKDPEY-QGZVFWFLSA-N 1 0 340.423 2.827 10 10 EFCERO C[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000768892823 577314701 /nfs/dbraw/zinc/31/47/01/577314701.db2.gz MJIMZLALDCEYOH-SFHVURJKSA-N 1 0 340.467 2.906 10 10 EFCERO C/C=C(\C)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000769123263 577336963 /nfs/dbraw/zinc/33/69/63/577336963.db2.gz YBVQIMQTCZYDRM-HQYXKAPLSA-N 1 0 327.472 2.801 10 10 EFCERO CCC[C@H]1CN(Cc2cc(OCC)ccc2O)CC[N@@H+]1CCOC ZINC000770282842 577409849 /nfs/dbraw/zinc/40/98/49/577409849.db2.gz HQSIUFLEPGTNRQ-KRWDZBQOSA-N 1 0 336.476 2.724 10 10 EFCERO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000770374332 577413552 /nfs/dbraw/zinc/41/35/52/577413552.db2.gz LTOBTJLPCDLLGF-OALUTQOASA-N 1 0 330.472 2.772 10 10 EFCERO COC(=O)c1cnc(/C=C\c2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000771527564 581220532 /nfs/dbraw/zinc/22/05/32/581220532.db2.gz SCEYTMDFXODMTR-YVMONPNESA-N 1 0 343.452 2.852 10 10 EFCERO COc1ccc(N2CCC([NH2+][C@@H]3CCO[C@@]4(CCOC4)C3)CC2)cc1 ZINC000773154458 581401341 /nfs/dbraw/zinc/40/13/41/581401341.db2.gz YQUUKEHKYBGNFI-XLIONFOSSA-N 1 0 346.471 2.592 10 10 EFCERO CCN(C)c1ccc(CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000773758537 581462305 /nfs/dbraw/zinc/46/23/05/581462305.db2.gz VAMMPKXBJBDSNL-NRFANRHFSA-N 1 0 344.547 2.745 10 10 EFCERO CCc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCC[N@H+]1CC ZINC001709039189 1248817839 /nfs/dbraw/zinc/81/78/39/1248817839.db2.gz ZVDDFKBWVCMRTO-MRXNPFEDSA-N 1 0 343.475 2.667 10 10 EFCERO COc1cc(C[NH2+]CCc2nnc3n2CCC3)c(O)c(C(C)(C)C)c1 ZINC000850025349 1250231453 /nfs/dbraw/zinc/23/14/53/1250231453.db2.gz ONSLCGKCGNMCQG-UHFFFAOYSA-N 1 0 344.459 2.568 10 10 EFCERO COc1cc(Br)cc(C[NH2+]CC2CCC(O)CC2)c1O ZINC000850394776 1250462833 /nfs/dbraw/zinc/46/28/33/1250462833.db2.gz CMOXDZCEARFQHG-UHFFFAOYSA-N 1 0 344.249 2.804 10 10 EFCERO COC[C@@](C)(O)CC[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850313362 1250423181 /nfs/dbraw/zinc/42/31/81/1250423181.db2.gz YFGCDGVPCLKAGQ-SFHVURJKSA-N 1 0 325.449 2.575 10 10 EFCERO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cn(C4CCC4)nn3)C2)cc1 ZINC000850331419 1250435911 /nfs/dbraw/zinc/43/59/11/1250435911.db2.gz YQGSLESHXPOYSE-HNNXBMFYSA-N 1 0 341.459 2.628 10 10 EFCERO COc1ccc(N2CC[C@H]([NH2+]Cc3ccnn3CC3CC3)C2)cc1 ZINC000850346808 1250440295 /nfs/dbraw/zinc/44/02/95/1250440295.db2.gz KQMCLBHJRLMPJB-INIZCTEOSA-N 1 0 326.444 2.670 10 10 EFCERO CCN(C)c1ccc(C[NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)cn1 ZINC000850346518 1250440429 /nfs/dbraw/zinc/44/04/29/1250440429.db2.gz GSCDVJVODKFGCR-KRWDZBQOSA-N 1 0 340.471 2.915 10 10 EFCERO CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850346472 1250440733 /nfs/dbraw/zinc/44/07/33/1250440733.db2.gz GJLQJILDNUMQFS-OAHLLOKOSA-N 1 0 342.487 2.922 10 10 EFCERO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)[C@@H]1C ZINC000850346817 1250441944 /nfs/dbraw/zinc/44/19/44/1250441944.db2.gz KTJBUSZNVQSZJE-OLMMMNRUSA-N 1 0 346.471 2.841 10 10 EFCERO COc1ccc(N2CC[C@H]([NH2+]Cc3c(O)cccc3OC)C2)cc1 ZINC000850345681 1250442087 /nfs/dbraw/zinc/44/20/87/1250442087.db2.gz HTXBREMMQTYGMF-AWEZNQCLSA-N 1 0 328.412 2.778 10 10 EFCERO COc1ccc(N2CC[C@@H]([NH2+]Cc3cccc(OC)c3O)C2)cc1 ZINC000850345903 1250442578 /nfs/dbraw/zinc/44/25/78/1250442578.db2.gz NJBGUMRGNLBSAV-OAHLLOKOSA-N 1 0 328.412 2.778 10 10 EFCERO COc1ccc(N2CCC([NH2+][C@H]3C[C@H](C)n4ncnc43)CC2)cc1 ZINC000850352622 1250445134 /nfs/dbraw/zinc/44/51/34/1250445134.db2.gz CJXKUJASJKQHIW-GUYCJALGSA-N 1 0 327.432 2.551 10 10 EFCERO C[C@H](COc1c(F)cccc1F)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000850366790 1250449129 /nfs/dbraw/zinc/44/91/29/1250449129.db2.gz LDQUYQFLISCTJC-SNVBAGLBSA-N 1 0 337.322 2.956 10 10 EFCERO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)CS1(=O)=O ZINC000850367647 1250451199 /nfs/dbraw/zinc/45/11/99/1250451199.db2.gz BFOHOKLCZRAKKP-DOTOQJQBSA-N 1 0 336.501 2.732 10 10 EFCERO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@@H]2CCC(=O)N2)cc1 ZINC000850388423 1250461914 /nfs/dbraw/zinc/46/19/14/1250461914.db2.gz CBBQCZUBUPSICY-HNNXBMFYSA-N 1 0 329.469 2.753 10 10 EFCERO CN(C)c1ccc(/C=C/C[NH2+]C2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000850395566 1250464350 /nfs/dbraw/zinc/46/43/50/1250464350.db2.gz ASPICJBNPLPGIO-WUUFJKRQSA-N 1 0 329.488 2.609 10 10 EFCERO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+][C@H]3CCCC34CC4)cc2)C1 ZINC000850426409 1250481538 /nfs/dbraw/zinc/48/15/38/1250481538.db2.gz VFDUIDAIGSQPIG-WMZOPIPTSA-N 1 0 327.472 2.811 10 10 EFCERO FCC1(CF)CC([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000850425279 1250482958 /nfs/dbraw/zinc/48/29/58/1250482958.db2.gz RUCFXZYAYVURHQ-UHFFFAOYSA-N 1 0 328.378 2.840 10 10 EFCERO CO[C@H](C[NH2+][C@@H](C)c1cc(Br)ccc1O)[C@@H]1CCOC1 ZINC000850484641 1250500124 /nfs/dbraw/zinc/50/01/24/1250500124.db2.gz NKKAMWPQWCERTA-FIXISWKDSA-N 1 0 344.249 2.857 10 10 EFCERO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3cc4n(n3)CCC4)C2)cc1 ZINC000850485706 1250502347 /nfs/dbraw/zinc/50/23/47/1250502347.db2.gz AWYIEUNCZSFFKE-HUUCEWRRSA-N 1 0 326.444 2.767 10 10 EFCERO COC[C@H](CC[NH2+][C@H](C)c1cc(Br)ccc1O)OC ZINC000850485826 1250502738 /nfs/dbraw/zinc/50/27/38/1250502738.db2.gz OATOSXGHBWTWPM-PWSUYJOCSA-N 1 0 332.238 2.857 10 10 EFCERO COc1ccc(N2CC[C@H]([NH2+][C@H](C)CC(=O)OC(C)(C)C)C2)cc1 ZINC000850488064 1250503768 /nfs/dbraw/zinc/50/37/68/1250503768.db2.gz KULRSXRZGQYJCS-CABCVRRESA-N 1 0 334.460 2.984 10 10 EFCERO C[C@@H]1C[C@@H]([NH2+]CC[S@@](=O)CC(F)(F)F)c2c1c(F)ccc2O ZINC000850495889 1250508393 /nfs/dbraw/zinc/50/83/93/1250508393.db2.gz KJNDIDOIDLRVFL-SNLDROCSSA-N 1 0 339.354 2.980 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)C2(CO)CC2)c1O ZINC000850516924 1250517041 /nfs/dbraw/zinc/51/70/41/1250517041.db2.gz ZOPLCIYIAHPTQC-UWVGGRQHSA-N 1 0 344.249 2.975 10 10 EFCERO Cc1ccc([C@@H](C)[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c(O)c1 ZINC000850558422 1250536377 /nfs/dbraw/zinc/53/63/77/1250536377.db2.gz WIPUZSAXNIFCRJ-ATZDWAIDSA-N 1 0 330.472 2.995 10 10 EFCERO CCS(=O)(=O)C1(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)CC1 ZINC000850558620 1250536458 /nfs/dbraw/zinc/53/64/58/1250536458.db2.gz SALZFMRWXLRKLU-ZYHUDNBSSA-N 1 0 327.421 2.637 10 10 EFCERO Cc1ccc([C@H](C)[NH2+]CCN2C[C@@H]3CCCCN3C2=O)c(O)c1C ZINC000850561629 1250537959 /nfs/dbraw/zinc/53/79/59/1250537959.db2.gz KECWMSBQGIHMAM-HOTGVXAUSA-N 1 0 331.460 2.950 10 10 EFCERO Cc1nccnc1[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850567751 1250541043 /nfs/dbraw/zinc/54/10/43/1250541043.db2.gz IIRLEDHJOBAOAD-HNNXBMFYSA-N 1 0 326.444 2.597 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2C[C@]2(C)OC)c1O ZINC000850571137 1250541450 /nfs/dbraw/zinc/54/14/50/1250541450.db2.gz NCEJXLWLEJHJTQ-PELMWDNLSA-N 1 0 330.222 2.991 10 10 EFCERO CN(Cc1ccccc1O)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000850760500 1250599564 /nfs/dbraw/zinc/59/95/64/1250599564.db2.gz SSQFBTOEVBTLDP-SFHVURJKSA-N 1 0 341.411 2.717 10 10 EFCERO COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCCCCC[C@H]3[NH3+])C2)cc1 ZINC000851639380 1251162790 /nfs/dbraw/zinc/16/27/90/1251162790.db2.gz DUPCMUKEMJFWAW-KFKAGJAMSA-N 1 0 345.487 2.688 10 10 EFCERO O=C(NCC12CC(C1)C[NH2+]2)N(Cc1ccccc1O)C1CCCCC1 ZINC000851676830 1251201735 /nfs/dbraw/zinc/20/17/35/1251201735.db2.gz IJWXXPPXNBQBFY-UHFFFAOYSA-N 1 0 343.471 2.989 10 10 EFCERO COc1ccc(N2CCC[N@H+](CCO[C@@H]3CC3(F)F)CC2)cc1 ZINC000851733203 1251232989 /nfs/dbraw/zinc/23/29/89/1251232989.db2.gz NBPQPTJBWSKXHF-MRXNPFEDSA-N 1 0 326.387 2.632 10 10 EFCERO CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc3ccccc3c2O)C1 ZINC000186109878 1254351486 /nfs/dbraw/zinc/35/14/86/1254351486.db2.gz QTFVQDSCMDLSSV-DZGCQCFKSA-N 1 0 327.428 3.000 10 10 EFCERO COc1ccc(N2CCN(CC[NH2+][C@H](C)[C@@H]3CC3(C)C)CC2)cc1 ZINC000785435431 1257094447 /nfs/dbraw/zinc/09/44/47/1257094447.db2.gz DEVFBZWZZAOQOP-APWZRJJASA-N 1 0 331.504 2.841 10 10 EFCERO C[C@@H]([NH2+]Cc1c2c(nn1C)CCC2)c1ccc(N2CCOCC2)cc1 ZINC000921590279 1257515808 /nfs/dbraw/zinc/51/58/08/1257515808.db2.gz DEUATHJIEUYGGI-OAHLLOKOSA-N 1 0 340.471 2.596 10 10 EFCERO Cc1cc(Br)c(O)c(CN(C2CC2)[C@H]2CC[NH2+]C2)c1 ZINC000843055013 1258308843 /nfs/dbraw/zinc/30/88/43/1258308843.db2.gz DAYJEVGMXOZIQO-ZDUSSCGKSA-N 1 0 325.250 2.789 10 10 EFCERO OC[C@@H](CCc1ccccc1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000922545201 1266240870 /nfs/dbraw/zinc/24/08/70/1266240870.db2.gz IDCLMPCOHIPNQT-HXUWFJFHSA-N 1 0 340.467 2.607 10 10 EFCERO CCOCc1cc(C[NH2+]C[C@]2(OC)CCSC2)ccc1OC ZINC000922571654 1266275418 /nfs/dbraw/zinc/27/54/18/1266275418.db2.gz MVQVDQPWSIBHGQ-QGZVFWFLSA-N 1 0 325.474 2.843 10 10 EFCERO COc1ccc(O)c(C[NH2+]Cc2csc(-c3ccn(C)n3)n2)c1 ZINC000921740411 1261321736 /nfs/dbraw/zinc/32/17/36/1261321736.db2.gz JWWHFFMCFUWRBA-UHFFFAOYSA-N 1 0 330.413 2.548 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2c(C)ccn2C)cc1C ZINC001485867225 1262441119 /nfs/dbraw/zinc/44/11/19/1262441119.db2.gz CUWGGCIKUFNNEF-INIZCTEOSA-N 1 0 343.471 2.901 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2ccns2)cc1C ZINC001485880866 1262452113 /nfs/dbraw/zinc/45/21/13/1262452113.db2.gz WDIADYVORUTNCB-ZDUSSCGKSA-N 1 0 333.457 2.710 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)COC(C)(C)C)C2)cc1C ZINC001486110077 1262642122 /nfs/dbraw/zinc/64/21/22/1262642122.db2.gz SVOCJDOSBHFZBN-WBVHZDCISA-N 1 0 348.487 2.898 10 10 EFCERO C[C@@H](F)CC[NH2+]C1CC(N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001486484265 1263224830 /nfs/dbraw/zinc/22/48/30/1263224830.db2.gz YCKYBYKCQKNODS-VCANKDNSSA-N 1 0 349.410 2.790 10 10 EFCERO Cc1cc(N2CCC[C@H]([NH2+]Cc3ccc4c(c3)CCCO4)C2)n(C)n1 ZINC000922064730 1264259652 /nfs/dbraw/zinc/25/96/52/1264259652.db2.gz RBDZXWTVBFMLKG-SFHVURJKSA-N 1 0 340.471 2.812 10 10 EFCERO C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)[C@H](O)c1ccc2c(c1)OCO2 ZINC000922071002 1264282596 /nfs/dbraw/zinc/28/25/96/1264282596.db2.gz BNXUMIKDQPAXFM-RBZFPXEDSA-N 1 0 341.407 2.952 10 10 EFCERO COc1ccc(N2CCC[N@H+](CCCCCNC(C)=O)CC2)cc1 ZINC000929316351 1266859287 /nfs/dbraw/zinc/85/92/87/1266859287.db2.gz OYZYQUKZOZEVHL-UHFFFAOYSA-N 1 0 333.476 2.514 10 10 EFCERO Cc1cc(O)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)c(Cl)c1 ZINC000922850013 1267039515 /nfs/dbraw/zinc/03/95/15/1267039515.db2.gz FQQGRYMXKAYADY-YOGCLGLASA-N 1 0 329.849 2.552 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)c3ccns3)CCC2)cc1C ZINC001273091238 1267607833 /nfs/dbraw/zinc/60/78/33/1267607833.db2.gz SGVKNIMDVFQOAF-UHFFFAOYSA-N 1 0 345.468 2.902 10 10 EFCERO COC(=O)c1cc2ccccc2c(C[N@@H+]2CCCO[C@@H](C)C2)c1O ZINC000738161919 1268383816 /nfs/dbraw/zinc/38/38/16/1268383816.db2.gz NVFZOVZMQAMBMQ-ZDUSSCGKSA-N 1 0 329.396 2.943 10 10 EFCERO COc1cc(Cl)cc(C[N@@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)c1O ZINC000825124400 1278420583 /nfs/dbraw/zinc/42/05/83/1278420583.db2.gz PFDJFQHOERBSFD-ISVAXAHUSA-N 1 0 339.741 2.799 10 10 EFCERO CCN(CC)c1ccc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)cc1F ZINC000742392848 1270020191 /nfs/dbraw/zinc/02/01/91/1270020191.db2.gz TUQWQBOSYBBDFQ-DDUZABMNSA-N 1 0 333.451 2.771 10 10 EFCERO O=C1NCCN(Cc2cc3c(cc2O)CCC3)[C@H]1c1cccs1 ZINC000743384554 1270559685 /nfs/dbraw/zinc/55/96/85/1270559685.db2.gz QLQJCUICOUMVBP-KRWDZBQOSA-N 1 0 328.437 2.616 10 10 EFCERO Cn1ncc(Br)c1C[NH2+]CCCSc1nccs1 ZINC000785474354 1271408552 /nfs/dbraw/zinc/40/85/52/1271408552.db2.gz RNWPYYMCHMDWSW-UHFFFAOYSA-N 1 0 347.307 2.911 10 10 EFCERO COc1ccc(O)c(C[NH2+]C[C@H](CO)Cc2ccc(F)c(F)c2)c1 ZINC000792193274 1278633705 /nfs/dbraw/zinc/63/37/05/1278633705.db2.gz SUIMWITVTRPDAX-CYBMUJFWSA-N 1 0 337.366 2.620 10 10 EFCERO CN1CCCc2cc(CNC(=O)[C@@H]3C[C@H]4CCCC[C@H]4[NH2+]3)ccc21 ZINC000844177650 1278782692 /nfs/dbraw/zinc/78/26/92/1278782692.db2.gz PAZNVOFIMRTEJS-NXHRZFHOSA-N 1 0 327.472 2.606 10 10 EFCERO Cc1nc(NC(=O)[C@@H](C)N2CCCc3cc(C[NH3+])ccc32)sc1C ZINC000844218875 1278793857 /nfs/dbraw/zinc/79/38/57/1278793857.db2.gz DCOGJIDVDVMUPY-GFCCVEGCSA-N 1 0 344.484 2.998 10 10 EFCERO CCOc1ccc(O)c(C[NH2+][C@@H](C)[C@H](O)c2ccc3c(c2)OCO3)c1 ZINC000785575359 1275132250 /nfs/dbraw/zinc/13/22/50/1275132250.db2.gz UKIYJINDWFZYLH-BUXKBTBVSA-N 1 0 345.395 2.731 10 10 EFCERO CC[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H]1[C@H](C(=O)OC)C1(F)F ZINC000787769201 1275901763 /nfs/dbraw/zinc/90/17/63/1275901763.db2.gz BOOWMLONDHBCHY-HUUCEWRRSA-N 1 0 326.387 2.629 10 10 EFCERO CC[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H]1[C@@H](C(=O)OC)C1(F)F ZINC000787769199 1275902144 /nfs/dbraw/zinc/90/21/44/1275902144.db2.gz BOOWMLONDHBCHY-CABCVRRESA-N 1 0 326.387 2.629 10 10 EFCERO CCc1cc(C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)c(O)c(C(C)(C)C)c1 ZINC000788382429 1276159092 /nfs/dbraw/zinc/15/90/92/1276159092.db2.gz FSQINSACDIKNTK-FQEVSTJZSA-N 1 0 330.472 2.964 10 10 EFCERO Fc1cc(C[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)ccc1N1CCOCC1 ZINC000922898546 1276277152 /nfs/dbraw/zinc/27/71/52/1276277152.db2.gz SHUVBYXJEMCSQF-PXNSSMCTSA-N 1 0 348.462 2.957 10 10 EFCERO C[C@H](N[C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000817971886 1276413435 /nfs/dbraw/zinc/41/34/35/1276413435.db2.gz QPAVHVGJNXRYLV-SUNYJGFJSA-N 1 0 337.895 2.825 10 10 EFCERO C[C@@H](N[C@@H]1C[NH2+]CCC1(F)F)c1ccc(Br)cc1O ZINC000817980986 1276420756 /nfs/dbraw/zinc/42/07/56/1276420756.db2.gz ORUSBTSSKQNTIH-PRHODGIISA-N 1 0 335.192 2.803 10 10 EFCERO CC[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(F)cc1[O-] ZINC000817984495 1276424824 /nfs/dbraw/zinc/42/48/24/1276424824.db2.gz YWUNTSLVBDJJPR-LEOMRAHMSA-N 1 0 335.467 2.788 10 10 EFCERO CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3ccc(N4CCOCC4)c(F)c3)C[C@H]2C1 ZINC000818330001 1276507134 /nfs/dbraw/zinc/50/71/34/1276507134.db2.gz KQAXNTVXOWAOJA-USTZCAOPSA-N 1 0 348.462 2.956 10 10 EFCERO O[C@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)CC1CCCC1 ZINC000818966724 1276553181 /nfs/dbraw/zinc/55/31/81/1276553181.db2.gz NRZIKINPNIISLS-KRWDZBQOSA-N 1 0 336.451 2.693 10 10 EFCERO O[C@@H](C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)C1CC1 ZINC000819003733 1276569138 /nfs/dbraw/zinc/56/91/38/1276569138.db2.gz YLULSBZSENPRKB-INIZCTEOSA-N 1 0 326.387 2.617 10 10 EFCERO Cc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(N3CC=CC3)cc2)cc1 ZINC000819096200 1276605244 /nfs/dbraw/zinc/60/52/44/1276605244.db2.gz ZDZQDPWBQXUMEC-FQEVSTJZSA-N 1 0 338.451 2.901 10 10 EFCERO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001136379344 1277328096 /nfs/dbraw/zinc/32/80/96/1277328096.db2.gz XOZCFEQMMLHTMD-MGPQQGTHSA-N 1 0 345.447 2.945 10 10 EFCERO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)Cc2ccc(O)c(O)c2)C1 ZINC001136404993 1277417799 /nfs/dbraw/zinc/41/77/99/1277417799.db2.gz KDCAZGJMIYUJBS-ZIAGYGMSSA-N 1 0 334.460 2.513 10 10 EFCERO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)Cc2ccc(O)c(O)c2)C1 ZINC001136404991 1277417956 /nfs/dbraw/zinc/41/79/56/1277417956.db2.gz KDCAZGJMIYUJBS-KBPBESRZSA-N 1 0 334.460 2.513 10 10 EFCERO CCN(CC)c1ccc(C[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)cc1F ZINC000790618889 1277700589 /nfs/dbraw/zinc/70/05/89/1277700589.db2.gz JPCPZGFATXZGHI-QAPCUYQASA-N 1 0 340.483 2.920 10 10 EFCERO CCN(C)c1ccc(C[NH+]2CCC(C3N=NC(=O)N3CC)CC2)cc1 ZINC000815074891 1287300788 /nfs/dbraw/zinc/30/07/88/1287300788.db2.gz IESCKVQULWXQCA-UHFFFAOYSA-N 1 0 343.475 2.839 10 10 EFCERO COc1cccc(C[NH2+]C[C@H](CO)Cc2ccc(F)c(F)c2)c1O ZINC000791003853 1277902507 /nfs/dbraw/zinc/90/25/07/1277902507.db2.gz JJWUBHDUCIMNDI-CYBMUJFWSA-N 1 0 337.366 2.620 10 10 EFCERO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000815093794 1287320418 /nfs/dbraw/zinc/32/04/18/1287320418.db2.gz SXBVTUIORMTTFH-IAGOWNOFSA-N 1 0 334.460 2.604 10 10 EFCERO CN(C)c1ccc(CNC(=O)NC2CC([NH+]3CCCCC3)C2)cc1 ZINC000792794443 1279156462 /nfs/dbraw/zinc/15/64/62/1279156462.db2.gz XCHWINVKBVYWKE-UHFFFAOYSA-N 1 0 330.476 2.569 10 10 EFCERO Oc1cc2c(cc1C[NH+]1CCC3(CC1)C(F)(F)C3(F)F)[C@H](O)CO2 ZINC000844721866 1279200209 /nfs/dbraw/zinc/20/02/09/1279200209.db2.gz UIENKJNTEAUGOA-GFCCVEGCSA-N 1 0 347.308 2.684 10 10 EFCERO CO[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000792931666 1279283248 /nfs/dbraw/zinc/28/32/48/1279283248.db2.gz XALNNKFYLOUVKC-RDJZCZTQSA-N 1 0 336.451 2.834 10 10 EFCERO Cn1c2ccc(C[NH2+]Cc3ccc4c(c3)CCO4)cc2sc1=O ZINC000792951994 1279301649 /nfs/dbraw/zinc/30/16/49/1279301649.db2.gz WKXROBVAHSUOET-UHFFFAOYSA-N 1 0 326.421 2.825 10 10 EFCERO C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000844922939 1279343440 /nfs/dbraw/zinc/34/34/40/1279343440.db2.gz FHWOMPYWFRGOLD-ZDUSSCGKSA-N 1 0 328.412 2.749 10 10 EFCERO CN(C)c1ccc(C[NH2+]CCCn2ccnn2)c(C(F)(F)F)c1 ZINC000793074974 1279359003 /nfs/dbraw/zinc/35/90/03/1279359003.db2.gz VRAXJCNMGKAMOI-UHFFFAOYSA-N 1 0 327.354 2.543 10 10 EFCERO COc1cc(Br)cc(C[NH2+]Cc2cccnc2F)c1O ZINC000793285284 1279496359 /nfs/dbraw/zinc/49/63/59/1279496359.db2.gz SFJLETMLUHIXQP-UHFFFAOYSA-N 1 0 341.180 2.987 10 10 EFCERO CC(C)C[N@H+](C)CCCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000845309157 1279567080 /nfs/dbraw/zinc/56/70/80/1279567080.db2.gz HZMXUSVFTWVCLK-UHFFFAOYSA-N 1 0 334.508 2.872 10 10 EFCERO COc1ccc(C[NH2+]Cc2ccc3c(c2)sc(=O)n3C)c(O)c1 ZINC000793387539 1279613974 /nfs/dbraw/zinc/61/39/74/1279613974.db2.gz GDADZOPLZVWMFR-UHFFFAOYSA-N 1 0 330.409 2.604 10 10 EFCERO CC/C=C(\F)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC001144592839 1279884535 /nfs/dbraw/zinc/88/45/35/1279884535.db2.gz UKSWODKNSQRAEL-WCSRMQSCSA-N 1 0 337.414 2.847 10 10 EFCERO CN(C)c1ccc(C[NH2+]C[C@@]2(CO)CCc3ccccc32)cc1F ZINC000846010352 1279975176 /nfs/dbraw/zinc/97/51/76/1279975176.db2.gz FHOYOERLOMSWBQ-HXUWFJFHSA-N 1 0 328.431 2.858 10 10 EFCERO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@@](C)(O)c1ccccc1 ZINC000846037141 1279995534 /nfs/dbraw/zinc/99/55/34/1279995534.db2.gz IOFYNJUSQPIOGN-LAUBAEHRSA-N 1 0 340.467 2.909 10 10 EFCERO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCc3c2ccc(=O)n3C)c1 ZINC000846122329 1280026622 /nfs/dbraw/zinc/02/66/22/1280026622.db2.gz HTQWISFEBUKLPJ-BLLLJJGKSA-N 1 0 328.412 2.828 10 10 EFCERO COc1cccc([C@H](C)[NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)c1O ZINC000846171392 1280047662 /nfs/dbraw/zinc/04/76/62/1280047662.db2.gz SBNKYYWZDPWSTA-STQMWFEESA-N 1 0 347.436 2.623 10 10 EFCERO COc1cccc([C@@H](C)[NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)c1O ZINC000846171388 1280047904 /nfs/dbraw/zinc/04/79/04/1280047904.db2.gz SBNKYYWZDPWSTA-OLZOCXBDSA-N 1 0 347.436 2.623 10 10 EFCERO C[C@@H]([NH2+]CCC1(CO)CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000846209154 1280056163 /nfs/dbraw/zinc/05/61/63/1280056163.db2.gz BKQFTVHNCGVTPO-OAHLLOKOSA-N 1 0 336.451 2.866 10 10 EFCERO COCC(C)(C)[NH+]1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000822497366 1289015844 /nfs/dbraw/zinc/01/58/44/1289015844.db2.gz AGZQBSSUALLFIM-SREVYHEPSA-N 1 0 331.504 2.808 10 10 EFCERO CCN1C[C@H](C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)OC1=O ZINC000846766298 1280467696 /nfs/dbraw/zinc/46/76/96/1280467696.db2.gz QSVZTKHEOSUMCI-SFHVURJKSA-N 1 0 331.460 2.949 10 10 EFCERO CC(C)Oc1cncc(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000846776677 1280478943 /nfs/dbraw/zinc/47/89/43/1280478943.db2.gz GXCICBDCKIEHQZ-UHFFFAOYSA-N 1 0 341.459 2.628 10 10 EFCERO C[C@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC001175428495 1287425436 /nfs/dbraw/zinc/42/54/36/1287425436.db2.gz WWLBTSJUJXAHRW-QWRGUYRKSA-N 1 0 340.383 2.652 10 10 EFCERO C[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(N(C)C)cc1 ZINC000872119089 1287435270 /nfs/dbraw/zinc/43/52/70/1287435270.db2.gz BFQQFNILCPMOMC-HQNOKGKPSA-N 1 0 336.501 2.759 10 10 EFCERO CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000872251826 1287503300 /nfs/dbraw/zinc/50/33/00/1287503300.db2.gz NYJOSLZKTNHZQB-LBPRGKRZSA-N 1 0 327.812 2.822 10 10 EFCERO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)c1 ZINC000809689951 1282377024 /nfs/dbraw/zinc/37/70/24/1282377024.db2.gz FSIADXIVVJDOPB-ZDUSSCGKSA-N 1 0 344.377 2.981 10 10 EFCERO CCOc1ccc(C[N@@H+]2CCC[C@@H](c3ccnc(N)n3)C2)c(O)c1 ZINC000809662638 1282392629 /nfs/dbraw/zinc/39/26/29/1282392629.db2.gz BJXCJWVUIAVEQV-CYBMUJFWSA-N 1 0 328.416 2.543 10 10 EFCERO COc1cccc(O)c1C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000809772631 1282432607 /nfs/dbraw/zinc/43/26/07/1282432607.db2.gz WVMRYJVBBUSUSJ-JSGCOSHPSA-N 1 0 336.432 2.888 10 10 EFCERO CN1CCCc2cc(CNC(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)ccc21 ZINC000810266600 1283083271 /nfs/dbraw/zinc/08/32/71/1283083271.db2.gz QYKCWOWDXRQEDI-HXUWFJFHSA-N 1 0 347.478 2.898 10 10 EFCERO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCCCSc2nccs2)C1 ZINC000810397825 1283190262 /nfs/dbraw/zinc/19/02/62/1283190262.db2.gz ANHGNCPBOTYWDG-OAHLLOKOSA-N 1 0 345.509 2.954 10 10 EFCERO COc1cc(Br)cc(C[N@@H+]2CC[C@@H](O)C2(C)C)c1O ZINC000812778558 1285409491 /nfs/dbraw/zinc/40/94/91/1285409491.db2.gz IXELBGSMQTYCGR-GFCCVEGCSA-N 1 0 330.222 2.509 10 10 EFCERO CC1(C)[C@H](O)CC[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000812778962 1285412482 /nfs/dbraw/zinc/41/24/82/1285412482.db2.gz RVZBTDXUPOKBAM-QGZVFWFLSA-N 1 0 333.432 2.930 10 10 EFCERO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCO[C@H](CC)C1 ZINC000822511299 1289019860 /nfs/dbraw/zinc/01/98/60/1289019860.db2.gz BKFAANNDRWPHNP-NVXWUHKLSA-N 1 0 335.444 2.963 10 10 EFCERO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCO[C@@H](CC)C1 ZINC000822511300 1289020152 /nfs/dbraw/zinc/02/01/52/1289020152.db2.gz BKFAANNDRWPHNP-RDJZCZTQSA-N 1 0 335.444 2.963 10 10 EFCERO COc1ccc(N(C)CC[N@H+](C)C[C@H]2CCC[C@@]3(CCOC3)O2)cc1 ZINC001171729929 1285746554 /nfs/dbraw/zinc/74/65/54/1285746554.db2.gz PECJZTXWHSKEJQ-UXHICEINSA-N 1 0 348.487 2.791 10 10 EFCERO COc1ccc(N(C)CC[N@H+](C)C[C@@H]2CCC[C@]3(CCOC3)O2)cc1 ZINC001171729930 1285746940 /nfs/dbraw/zinc/74/69/40/1285746940.db2.gz PECJZTXWHSKEJQ-VQTJNVASSA-N 1 0 348.487 2.791 10 10 EFCERO COc1ccc(N2CCN(CCC[NH2+][C@@H]3C[C@H](C)[C@H]3C)CC2)cc1 ZINC000813854525 1286144054 /nfs/dbraw/zinc/14/40/54/1286144054.db2.gz FDLFJBSOAOOLRB-SQGPQFPESA-N 1 0 331.504 2.841 10 10 EFCERO Cc1cc(Br)cc([C@@H](C)[NH2+]C2COCCOC2)c1O ZINC000813878693 1286166490 /nfs/dbraw/zinc/16/64/90/1286166490.db2.gz FFDZBRFGPBSZCN-SNVBAGLBSA-N 1 0 330.222 2.529 10 10 EFCERO C[N@H+]1C[C@H]2[C@@H](CCN2Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000814172994 1286353989 /nfs/dbraw/zinc/35/39/89/1286353989.db2.gz FDCVGIQZIBQANH-LPHOPBHVSA-N 1 0 344.459 2.721 10 10 EFCERO C[C@@H]([NH2+]C(C)(C)CNC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC001136615519 1289082658 /nfs/dbraw/zinc/08/26/58/1289082658.db2.gz KYADHQGWVHEXQR-CQSZACIVSA-N 1 0 342.439 2.886 10 10 EFCERO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@H]2CC3CCC2CC3)cc1 ZINC000814651955 1286852444 /nfs/dbraw/zinc/85/24/44/1286852444.db2.gz PLHIQVAGAHRQBO-KVWWFHCMSA-N 1 0 329.488 2.879 10 10 EFCERO CCN(CC)c1ccc(CN2CCO[C@@H]3CC[N@H+](CC)C[C@@H]32)cc1F ZINC000816638919 1288227778 /nfs/dbraw/zinc/22/77/78/1288227778.db2.gz BKDUKGCPCDFXKO-VQTJNVASSA-N 1 0 349.494 2.967 10 10 EFCERO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H](C)CC[NH+](C)C ZINC001136652008 1289172075 /nfs/dbraw/zinc/17/20/75/1289172075.db2.gz DPSFCEZPUZMMKS-AWEZNQCLSA-N 1 0 341.455 2.977 10 10 EFCERO Cc1c(Cl)c(CN(C)c2ccc(OCC[NH+](C)C)cc2)nn1C ZINC000817411084 1288590573 /nfs/dbraw/zinc/59/05/73/1288590573.db2.gz YZEOUGVSSSIKOO-UHFFFAOYSA-N 1 0 336.867 2.959 10 10 EFCERO CCN(CC)c1ccc(CNC(=O)CC[N@@H+]2CC[C@H](F)C2)cc1F ZINC001136730559 1289323318 /nfs/dbraw/zinc/32/33/18/1289323318.db2.gz UIOAVIQGBKKFJC-HNNXBMFYSA-N 1 0 339.430 2.722 10 10 EFCERO C[C@@H](Cc1ccoc1)[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000824086117 1289536882 /nfs/dbraw/zinc/53/68/82/1289536882.db2.gz SKZIGJIFMOGOOT-MAUKXSAKSA-N 1 0 341.455 2.702 10 10 EFCERO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CC[C@@H]3C)cc2F)CC1 ZINC000805863882 1289628478 /nfs/dbraw/zinc/62/84/78/1289628478.db2.gz BMURKYSUYJRYCF-YOEHRIQHSA-N 1 0 348.466 2.565 10 10 EFCERO COc1cc(C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000824575472 1289705247 /nfs/dbraw/zinc/70/52/47/1289705247.db2.gz GBTXODCWTPAOCN-CHWSQXEVSA-N 1 0 334.460 2.784 10 10 EFCERO COc1cc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000824575473 1289705601 /nfs/dbraw/zinc/70/56/01/1289705601.db2.gz GBTXODCWTPAOCN-OLZOCXBDSA-N 1 0 334.460 2.784 10 10 EFCERO COc1cccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c1O ZINC000824636518 1289734410 /nfs/dbraw/zinc/73/44/10/1289734410.db2.gz RLDJQXVAWRRYFP-LPHOPBHVSA-N 1 0 331.387 2.701 10 10 EFCERO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1CC12CC2 ZINC000817549911 1289957988 /nfs/dbraw/zinc/95/79/88/1289957988.db2.gz PFIFBZOGBMTOKK-LSDHHAIUSA-N 1 0 334.847 2.926 10 10 EFCERO CCOc1cccc(C[NH2+][C@@H](CC(=O)NC)c2ccccc2)c1O ZINC000795605550 1290652187 /nfs/dbraw/zinc/65/21/87/1290652187.db2.gz OBNUWHTXQRIJFZ-INIZCTEOSA-N 1 0 328.412 2.758 10 10 EFCERO Cc1ccc(O)c(C[NH+]2CCN(C(=O)Cc3ccccc3C)CC2)c1 ZINC000092733455 1290899661 /nfs/dbraw/zinc/89/96/61/1290899661.db2.gz OSFMWVYVWLWNBL-UHFFFAOYSA-N 1 0 338.451 2.896 10 10 EFCERO COc1c(O)c(C[NH2+][C@H](CO)c2sccc2C)ccc1[N+](=O)[O-] ZINC000775030822 1290977161 /nfs/dbraw/zinc/97/71/61/1290977161.db2.gz USRXPIVNDMVBFG-LLVKDONJSA-N 1 0 338.385 2.502 10 10 EFCERO Oc1cc2c(cc1C[N@@H+]1CCCN(c3ccccc3F)CC1)OCO2 ZINC000795730246 1291341475 /nfs/dbraw/zinc/34/14/75/1291341475.db2.gz ZKODBWQOHKXNQY-UHFFFAOYSA-N 1 0 344.386 2.972 10 10 EFCERO C[C@@H](NC(=O)CCN(C)c1cc[nH+]cc1)c1ccc(N(C)C)cc1 ZINC000775402629 1292264098 /nfs/dbraw/zinc/26/40/98/1292264098.db2.gz FGIXGAAPQRGKSR-OAHLLOKOSA-N 1 0 326.444 2.851 10 10 EFCERO COC(=O)CC[N@@H+](Cc1cc(Cl)cc(C)c1O)C[C@H]1CCCO1 ZINC000775703741 1294174450 /nfs/dbraw/zinc/17/44/50/1294174450.db2.gz WOOFYSFNQDGIJA-OAHLLOKOSA-N 1 0 341.835 2.898 10 10 EFCERO CCOc1ccc(O)c(C[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)[C@H]3C)O2)c1 ZINC000886341274 1294874412 /nfs/dbraw/zinc/87/44/12/1294874412.db2.gz SIXFZKNXALRGBG-XNWVLMOPSA-N 1 0 335.444 2.853 10 10 EFCERO CCOc1ccc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)[C@H]3C)O2)c(O)c1 ZINC000886340514 1294874584 /nfs/dbraw/zinc/87/45/84/1294874584.db2.gz HXXOYLVPKKJBGU-MCPREKNCSA-N 1 0 335.444 2.853 10 10 EFCERO CCOc1ccc(O)c(C[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)[C@@H]3C)O2)c1 ZINC000886341272 1294875166 /nfs/dbraw/zinc/87/51/66/1294875166.db2.gz SIXFZKNXALRGBG-BDEJMISXSA-N 1 0 335.444 2.853 10 10 EFCERO CCc1ncoc1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001277928535 1313257347 /nfs/dbraw/zinc/25/73/47/1313257347.db2.gz GUYRNQYVFZNCAG-AWEZNQCLSA-N 1 0 345.443 2.804 10 10 EFCERO COc1ccc(N2CC[C@H](C[NH2+][C@H]3[C@@H]4CCC[NH2+][C@@H]4C3(C)C)C2)cc1 ZINC000925708489 1296869316 /nfs/dbraw/zinc/86/93/16/1296869316.db2.gz SSSWVICJTNFQPU-XCLNPWKQSA-N 1 0 343.515 2.888 10 10 EFCERO Cc1ccc(O)c(CNC(=O)N[C@H](CC[NH+](C)C)c2cccnc2)c1 ZINC000925918895 1296886807 /nfs/dbraw/zinc/88/68/07/1296886807.db2.gz UCWCEWDRVKSGIC-QGZVFWFLSA-N 1 0 342.443 2.588 10 10 EFCERO Cc1cc(Cl)cc(C[NH2+]CCC2CCS(=O)(=O)CC2)c1O ZINC000776251965 1297262831 /nfs/dbraw/zinc/26/28/31/1297262831.db2.gz GTHCJNJUYXMHCS-UHFFFAOYSA-N 1 0 331.865 2.659 10 10 EFCERO Oc1ccccc1C[N@H+](CCO[C@H]1CC1(F)F)C[C@@H]1CCCO1 ZINC000851841527 1299429531 /nfs/dbraw/zinc/42/95/31/1299429531.db2.gz VHZFAPANEPWUET-HOCLYGCPSA-N 1 0 327.371 2.797 10 10 EFCERO CC1(C)OC[C@@H](CC[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)O1 ZINC000851841181 1299429642 /nfs/dbraw/zinc/42/96/42/1299429642.db2.gz NSWCLMJKGXDDBT-IAGOWNOFSA-N 1 0 335.444 2.915 10 10 EFCERO CC1CCN(c2ccc(CNC(=O)N(C)CC3C[NH+](C)C3)cc2)CC1 ZINC000852082318 1299540542 /nfs/dbraw/zinc/54/05/42/1299540542.db2.gz XYKBQDCVROXFTM-UHFFFAOYSA-N 1 0 344.503 2.626 10 10 EFCERO CC(=O)c1cc(F)cc(C[NH2+][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)c1O ZINC000852562946 1299757636 /nfs/dbraw/zinc/75/76/36/1299757636.db2.gz NLVSMLXRRYBJQB-RDTXWAMCSA-N 1 0 345.418 2.968 10 10 EFCERO CC(C)(C)c1ccc2c(c1)CCN2C(=O)c1cn[nH]c1[C@@H]1CC[NH2+]C1 ZINC000852800674 1299893628 /nfs/dbraw/zinc/89/36/28/1299893628.db2.gz QZGKTUXJDZXTLW-CQSZACIVSA-N 1 0 338.455 2.987 10 10 EFCERO CCCN(Cc1ccccc1O)C(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000852801105 1299893866 /nfs/dbraw/zinc/89/38/66/1299893866.db2.gz VSMIZCQFFXLKTQ-UHFFFAOYSA-N 1 0 343.427 2.900 10 10 EFCERO C[N@H+](CC(=O)NCCc1cccc2cccnc21)Cc1ccccc1O ZINC000111236442 1300081075 /nfs/dbraw/zinc/08/10/75/1300081075.db2.gz BUDWOJUXCFBJAR-UHFFFAOYSA-N 1 0 349.434 2.731 10 10 EFCERO Cc1cc(CC(=O)N2CC[C@@H](C)[C@@H]([NH3+])C2)c(C)n1-c1ccccc1 ZINC000853304572 1300081669 /nfs/dbraw/zinc/08/16/69/1300081669.db2.gz RYDHGQVQDWUGLJ-KUHUBIRLSA-N 1 0 325.456 2.832 10 10 EFCERO CCN(CC)c1ccc(CNC(=O)N(CC)[C@H]2CC[N@H+](C)C2)cc1 ZINC000853456601 1300121453 /nfs/dbraw/zinc/12/14/53/1300121453.db2.gz MIAFHJVMZDNOBM-SFHVURJKSA-N 1 0 332.492 2.768 10 10 EFCERO COc1cc(O)c(C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)cc1OC ZINC000853622114 1300197968 /nfs/dbraw/zinc/19/79/68/1300197968.db2.gz CHBXFBHXOOBQOC-KDURUIRLSA-N 1 0 333.428 2.802 10 10 EFCERO COc1ccc(N2CC[C@H](Nc3nc(N)[nH+]c4c3CCCC4)C2)cc1 ZINC000853759811 1300262152 /nfs/dbraw/zinc/26/21/52/1300262152.db2.gz APFMBNRPSZVWCT-ZDUSSCGKSA-N 1 0 339.443 2.637 10 10 EFCERO CCN(C(=O)N[C@H](C)c1ccc(N(C)C)cc1)[C@@H]1CC[N@H+](CC)C1 ZINC000854004281 1300384256 /nfs/dbraw/zinc/38/42/56/1300384256.db2.gz PWARCQUBBJHJFJ-CRAIPNDOSA-N 1 0 332.492 2.939 10 10 EFCERO COC(=O)c1cc2ccccc2c(C[N@@H+]2CCO[C@H](C3CC3)C2)c1O ZINC000776768544 1300758030 /nfs/dbraw/zinc/75/80/30/1300758030.db2.gz PDKASJFITBPKKJ-SFHVURJKSA-N 1 0 341.407 2.943 10 10 EFCERO COc1cc(Br)cc(C[NH2+]C2(CCO)CCCC2)c1O ZINC000796453504 1301706621 /nfs/dbraw/zinc/70/66/21/1301706621.db2.gz HZQBRKLKGDCNMK-UHFFFAOYSA-N 1 0 344.249 2.948 10 10 EFCERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000861573388 1302156840 /nfs/dbraw/zinc/15/68/40/1302156840.db2.gz GRGXDDXYVWBYBG-RBUKOAKNSA-N 1 0 344.503 2.863 10 10 EFCERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000861674995 1302188671 /nfs/dbraw/zinc/18/86/71/1302188671.db2.gz BHFVCSDORGNEJO-ZWKOTPCHSA-N 1 0 332.492 2.813 10 10 EFCERO Cc1cccc(C[NH2+]CC2(OCCO)CCC(F)(F)CC2)c1O ZINC000862475533 1302393580 /nfs/dbraw/zinc/39/35/80/1302393580.db2.gz NUZDAJJNMZZTEC-UHFFFAOYSA-N 1 0 329.387 2.747 10 10 EFCERO CCOC(=O)C1=CC[C@H]([NH2+]Cc2ccc(Br)cc2O)C1 ZINC000862489151 1302400484 /nfs/dbraw/zinc/40/04/84/1302400484.db2.gz AYVAVWMGCAACPI-ZDUSSCGKSA-N 1 0 340.217 2.896 10 10 EFCERO COC(=O)c1cc2ccccc2c(C[N@H+](C)CC2(C)COC2)c1O ZINC000863298785 1302579927 /nfs/dbraw/zinc/57/99/27/1302579927.db2.gz NJCNONFEGAHTEH-UHFFFAOYSA-N 1 0 329.396 2.800 10 10 EFCERO C[C@H](N[C@H]1CC[NH2+]C12CCC2)c1ccc(N2CCOCC2)c(F)c1 ZINC000863540501 1302642414 /nfs/dbraw/zinc/64/24/14/1302642414.db2.gz FBVFLRYUQUMHNC-KSSFIOAISA-N 1 0 333.451 2.598 10 10 EFCERO C[C@H](N[C@@H]1CC[NH2+]C12CCC2)c1ccc(N2CCOCC2)c(F)c1 ZINC000863540489 1302643274 /nfs/dbraw/zinc/64/32/74/1302643274.db2.gz FBVFLRYUQUMHNC-KBXCAEBGSA-N 1 0 333.451 2.598 10 10 EFCERO O=c1[nH]ccc2oc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)cc21 ZINC000865427444 1303250976 /nfs/dbraw/zinc/25/09/76/1303250976.db2.gz FYKOXMVZZMXROF-UHFFFAOYSA-N 1 0 339.395 2.660 10 10 EFCERO COc1ccc(N2CC[C@H]([NH2+]C3CCC(CNC(C)=O)CC3)C2)cc1 ZINC000865622171 1303337583 /nfs/dbraw/zinc/33/75/83/1303337583.db2.gz ODAMNGJTKQQPFE-ABHNRTSZSA-N 1 0 345.487 2.558 10 10 EFCERO CC(C)(C)OC(=O)COCC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000865684674 1303365462 /nfs/dbraw/zinc/36/54/62/1303365462.db2.gz ZUKYSJHBLZVSDM-UHFFFAOYSA-N 1 0 333.787 2.633 10 10 EFCERO O=[N+]([O-])c1cc(C[NH2+]CC[C@H](O)C(F)F)ccc1N1CCCCC1 ZINC000865688459 1303367456 /nfs/dbraw/zinc/36/74/56/1303367456.db2.gz CZPCQFXDEGKOAN-HNNXBMFYSA-N 1 0 343.374 2.691 10 10 EFCERO CN(C)c1ccc(/C=C/C[NH2+]C[C@H]2CC3(CO2)CCOCC3)cc1 ZINC000865779861 1303398258 /nfs/dbraw/zinc/39/82/58/1303398258.db2.gz QEFPXDQNMUOMBC-GNAXCBTBSA-N 1 0 330.472 2.941 10 10 EFCERO COc1ccc(C[NH2+]Cc2ccc(CN3CCNC3=O)cc2)cc1C ZINC000865816244 1303415000 /nfs/dbraw/zinc/41/50/00/1303415000.db2.gz CUQOTODDLUSTFV-UHFFFAOYSA-N 1 0 339.439 2.819 10 10 EFCERO C[C@@H]([NH2+][C@@H](C)c1ccnn1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000866614309 1303711531 /nfs/dbraw/zinc/71/15/31/1303711531.db2.gz YGFWQDJHGGDTID-KGLIPLIRSA-N 1 0 332.423 2.808 10 10 EFCERO CC[C@@H]1[C@@H](C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)CC[N@@H+]1C ZINC000868888533 1304520717 /nfs/dbraw/zinc/52/07/17/1304520717.db2.gz CIBLVFBIURBRSA-AYOQOUSVSA-N 1 0 331.504 2.839 10 10 EFCERO O=C(NCc1ccccc1O)NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000869102365 1304610855 /nfs/dbraw/zinc/61/08/55/1304610855.db2.gz XQDRIKWXDIDHEV-QGZVFWFLSA-N 1 0 331.460 2.989 10 10 EFCERO O=C1C[C@H](c2ccccc2)[N@H+](Cc2cc3c(cc2O)CCC3)CCN1 ZINC000748790209 1314129848 /nfs/dbraw/zinc/12/98/48/1314129848.db2.gz OFIVRYPTFYLNQG-LJQANCHMSA-N 1 0 336.435 2.944 10 10 EFCERO CN1CCCc2cc(CNC(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)ccc21 ZINC000900434171 1308160345 /nfs/dbraw/zinc/16/03/45/1308160345.db2.gz XEJNNZQQITVEFI-IEBWSBKVSA-N 1 0 327.472 2.702 10 10 EFCERO O=C(NCCc1ccc(O)c(O)c1)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000901124672 1309535162 /nfs/dbraw/zinc/53/51/62/1309535162.db2.gz XILZUBPCRDQZKK-UHFFFAOYSA-N 1 0 339.395 2.675 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)c3[nH]ccc3C)CC2)cc1C ZINC001277048285 1311530694 /nfs/dbraw/zinc/53/06/94/1311530694.db2.gz IHJLKBMPPZLMSL-UHFFFAOYSA-N 1 0 327.428 2.692 10 10 EFCERO CCc1cc(C(=O)NCC2([NH2+]Cc3ccc(OC)c(C)c3)CC2)no1 ZINC001277223952 1311827299 /nfs/dbraw/zinc/82/72/99/1311827299.db2.gz AWDDOYKHFULXAC-UHFFFAOYSA-N 1 0 343.427 2.606 10 10 EFCERO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)c2nc(C)c[nH]2)cc1C ZINC001277316340 1311968640 /nfs/dbraw/zinc/96/86/40/1311968640.db2.gz XIEYASADEABNSR-AWEZNQCLSA-N 1 0 344.459 2.723 10 10 EFCERO Cc1c(C(=O)NCc2ccc3cccnc3c2O)ccc2c[nH+]cn21 ZINC001162612091 1312135926 /nfs/dbraw/zinc/13/59/26/1312135926.db2.gz BXWHVNUQIPAPJG-UHFFFAOYSA-N 1 0 332.363 2.827 10 10 EFCERO CCCn1cc([C@@H](C)[NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)nn1 ZINC000903046957 1312308851 /nfs/dbraw/zinc/30/88/51/1312308851.db2.gz DOGDHWOIZKVUAT-CABCVRRESA-N 1 0 329.448 2.626 10 10 EFCERO COc1cccc([C@H](C)[NH2+]CC2CCC(S(C)(=O)=O)CC2)c1O ZINC000903149619 1312411785 /nfs/dbraw/zinc/41/17/85/1312411785.db2.gz GSAPHDCOIIPLRM-HSBZDZAISA-N 1 0 341.473 2.655 10 10 EFCERO Cc1ccc(O)c([C@@H](C)[NH2+]CC2CCC(S(C)(=O)=O)CC2)c1 ZINC000903153696 1312414337 /nfs/dbraw/zinc/41/43/37/1312414337.db2.gz HYWQQOXFVNHTRW-WLYUNCDWSA-N 1 0 325.474 2.955 10 10 EFCERO C[C@@H]([NH2+]CC1(S(=O)(=O)NC(C)(C)C)CCC1)c1ccccc1O ZINC000903188991 1312444267 /nfs/dbraw/zinc/44/42/67/1312444267.db2.gz LYNMBHFWEYQXFT-CYBMUJFWSA-N 1 0 340.489 2.683 10 10 EFCERO C[C@H]([NH2+][C@H]1CCN(C)[C@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000903301400 1312551627 /nfs/dbraw/zinc/55/16/27/1312551627.db2.gz QNPHXWJKJYJJPG-DEYYWGMASA-N 1 0 337.895 2.920 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2COC[C@H]2C)c1O ZINC000903393660 1312628150 /nfs/dbraw/zinc/62/81/50/1312628150.db2.gz QZQFRNFJTQDEAW-PTRXPTGYSA-N 1 0 330.222 2.849 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2COC[C@@H]2C)c1O ZINC000903393658 1312628509 /nfs/dbraw/zinc/62/85/09/1312628509.db2.gz QZQFRNFJTQDEAW-AUTRQRHGSA-N 1 0 330.222 2.849 10 10 EFCERO CC[C@H](F)C[NH2+]C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001276711160 1314688172 /nfs/dbraw/zinc/68/81/72/1314688172.db2.gz DZQMTDWVSQAHHR-DZGCQCFKSA-N 1 0 349.410 2.695 10 10 EFCERO Cc1cc(CNC(=O)NCC[NH+](C)C)c(C)n1-c1cccc(C)c1 ZINC001254075117 1315671143 /nfs/dbraw/zinc/67/11/43/1315671143.db2.gz WSNLDYJFSQGIPN-UHFFFAOYSA-N 1 0 328.460 2.763 10 10 EFCERO Cc1cc(O)c(C[N@H+]2CC[C@@H](N(C)C(=O)N(C)C)C2)cc1Cl ZINC000827545162 1315997278 /nfs/dbraw/zinc/99/72/78/1315997278.db2.gz UXSCBBBSTDKPHP-CYBMUJFWSA-N 1 0 325.840 2.542 10 10 EFCERO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(N)cc2)[C@@H]1c1ccc(F)cc1 ZINC001261372228 1316408047 /nfs/dbraw/zinc/40/80/47/1316408047.db2.gz PUTJTBGZPGYNPC-SJORKVTESA-N 1 0 328.391 2.975 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2cncc(C)c2)cc1C ZINC001265762918 1316873198 /nfs/dbraw/zinc/87/31/98/1316873198.db2.gz DRYFUOVNWNGBIV-HNNXBMFYSA-N 1 0 327.428 2.615 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@]23CCC[C@H]2OCC3)cc1C ZINC001265798913 1316879205 /nfs/dbraw/zinc/87/92/05/1316879205.db2.gz NLACWPOWQRRADK-ZTNFWEORSA-N 1 0 346.471 2.557 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2cn(C(C)C)cn2)cc1C ZINC001265804305 1316879937 /nfs/dbraw/zinc/87/99/37/1316879937.db2.gz JWGNNYFVNYMXSA-OAHLLOKOSA-N 1 0 344.459 2.689 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)Cc2csc(C)n2)cc1C ZINC001265861054 1316896222 /nfs/dbraw/zinc/89/62/22/1316896222.db2.gz HADNFSYBVMZDPX-ZDUSSCGKSA-N 1 0 347.484 2.606 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)C[C@H]2CCCO2)cc1C ZINC001266127184 1317073415 /nfs/dbraw/zinc/07/34/15/1317073415.db2.gz AWAMPFSMTHBDPY-DOTOQJQBSA-N 1 0 334.460 2.557 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2ccn(C)c2)cc1C ZINC001266136602 1317086806 /nfs/dbraw/zinc/08/68/06/1317086806.db2.gz FQHWVQFVLZMRSJ-OAHLLOKOSA-N 1 0 329.444 2.640 10 10 EFCERO CCO[C@@H](CC)C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001319056342 1328772112 /nfs/dbraw/zinc/77/21/12/1328772112.db2.gz WGLMTBCLPRKKOX-MSOLQXFVSA-N 1 0 348.487 2.899 10 10 EFCERO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)C[C@H](C)OC)cc1C ZINC001319059082 1328773287 /nfs/dbraw/zinc/77/32/87/1328773287.db2.gz ZZNUSLPAAUDBGO-DOTOQJQBSA-N 1 0 334.460 2.509 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2cc(C)no2)cc1C ZINC001282095545 1318724441 /nfs/dbraw/zinc/72/44/41/1318724441.db2.gz LVPXPPJNIREZIT-KBPBESRZSA-N 1 0 331.416 2.597 10 10 EFCERO CCc1nc[nH]c1C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001282227721 1318786818 /nfs/dbraw/zinc/78/68/18/1318786818.db2.gz JEMZEHJOEJKNRL-KGLIPLIRSA-N 1 0 344.459 2.586 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)Cc2ccc(C)o2)cc1C ZINC001319179444 1328797570 /nfs/dbraw/zinc/79/75/70/1328797570.db2.gz NXIMDKDAPJROLY-AWEZNQCLSA-N 1 0 344.455 2.990 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@H]2CCC2(F)F)cc1C ZINC001319202316 1328806540 /nfs/dbraw/zinc/80/65/40/1328806540.db2.gz OMVQMHYEGQTZDV-SWLSCSKDSA-N 1 0 340.414 2.891 10 10 EFCERO CC[C@@H]1CCO[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001319476022 1328897221 /nfs/dbraw/zinc/89/72/21/1328897221.db2.gz MZOZTYRNGSBFBB-SUMDDJOVSA-N 1 0 348.487 2.755 10 10 EFCERO Cc1cccc(CN(CC[NH+](C)C)C(=O)Cc2ccc(O)c(O)c2)c1 ZINC001292811899 1322126466 /nfs/dbraw/zinc/12/64/66/1322126466.db2.gz PTJNEEOAHMIAPW-UHFFFAOYSA-N 1 0 342.439 2.539 10 10 EFCERO CC(C)[N@@H+]1CCC[C@H](C(=O)NCCCSc2nccs2)C1 ZINC001292997632 1322168373 /nfs/dbraw/zinc/16/83/73/1322168373.db2.gz OOTPGEFPCAOFIW-ZDUSSCGKSA-N 1 0 327.519 2.862 10 10 EFCERO COc1ccc(C[NH2+][C@@H](CNC(=O)C(C)(F)F)C(C)C)cc1C ZINC001319890499 1329029371 /nfs/dbraw/zinc/02/93/71/1329029371.db2.gz NTYMOSOAJYAERN-AWEZNQCLSA-N 1 0 328.403 2.889 10 10 EFCERO COc1ccc(C[NH2+][C@H](CNC(=O)c2coc(C)n2)C(C)C)cc1C ZINC001319908659 1329033591 /nfs/dbraw/zinc/03/35/91/1329033591.db2.gz ZRHZYGPKGZQAGM-MRXNPFEDSA-N 1 0 345.443 2.844 10 10 EFCERO CN1CCN(c2ccc(C[N@@H+]3CCC[C@H]4COCC[C@H]43)cc2F)CC1 ZINC001319962248 1329044761 /nfs/dbraw/zinc/04/47/61/1329044761.db2.gz IADGKKCNDRIWGR-PKOBYXMFSA-N 1 0 347.478 2.578 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2c[nH]nc2C2CC2)cc1C ZINC001491627857 1323759379 /nfs/dbraw/zinc/75/93/79/1323759379.db2.gz PVTKNILZWJHQRD-CYBMUJFWSA-N 1 0 342.443 2.512 10 10 EFCERO CCO[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1)C1CC1 ZINC001491726242 1323840692 /nfs/dbraw/zinc/84/06/92/1323840692.db2.gz NWWABGADENJEOQ-PKOBYXMFSA-N 1 0 346.471 2.509 10 10 EFCERO CC[C@@H](F)C[NH2+][C@H](C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001492133276 1324327995 /nfs/dbraw/zinc/32/79/95/1324327995.db2.gz MYDYWACGQXIHQP-DGCLKSJQSA-N 1 0 337.399 2.695 10 10 EFCERO COC(=O)/C=C/c1ccc(N2CCC[C@@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000749391263 1324656990 /nfs/dbraw/zinc/65/69/90/1324656990.db2.gz CGNYZNDMYKEBEU-HEWZJLJBSA-N 1 0 347.415 2.559 10 10 EFCERO COC(=O)/C=C/c1ccc(N2CCC[C@H]([NH2+]C(C)C)C2)c([N+](=O)[O-])c1 ZINC000749391216 1324657389 /nfs/dbraw/zinc/65/73/89/1324657389.db2.gz BUTSZYFJEQYEDZ-HEWZJLJBSA-N 1 0 347.415 2.748 10 10 EFCERO COc1cc([N+](=O)[O-])c(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1OC ZINC001306993238 1324737830 /nfs/dbraw/zinc/73/78/30/1324737830.db2.gz BWMRLNUWVVTHIJ-CHWSQXEVSA-N 1 0 335.404 2.533 10 10 EFCERO CN1CCN(c2ccc(C[NH2+]C[C@H]3CCC(C)(C)O3)cc2F)CC1 ZINC001320764833 1329183380 /nfs/dbraw/zinc/18/33/80/1329183380.db2.gz LLUJVMBULKNSDZ-MRXNPFEDSA-N 1 0 335.467 2.625 10 10 EFCERO COc1ccc(C[NH2+][C@@H](CNC(=O)[C@@H]2CC2(F)F)C2CC2)cc1C ZINC001317012272 1325481392 /nfs/dbraw/zinc/48/13/92/1325481392.db2.gz IEZYIMSXLMYXIU-GJZGRUSLSA-N 1 0 338.398 2.643 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2ccncc2C)cc1C ZINC001317240714 1327781299 /nfs/dbraw/zinc/78/12/99/1327781299.db2.gz ZJBBVFONSHYWOO-HNNXBMFYSA-N 1 0 327.428 2.615 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2cscn2)cc1C ZINC001317385567 1327942056 /nfs/dbraw/zinc/94/20/56/1327942056.db2.gz BESSPWPPRQVLKU-ZDUSSCGKSA-N 1 0 333.457 2.758 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)C2(C(F)F)CCC2)cc1C ZINC001317619940 1328202416 /nfs/dbraw/zinc/20/24/16/1328202416.db2.gz DATBUOPZEATTIK-UHFFFAOYSA-N 1 0 340.414 2.987 10 10 EFCERO CCc1cccc(C(=O)N[C@@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)n1 ZINC001321875028 1329413980 /nfs/dbraw/zinc/41/39/80/1329413980.db2.gz AXTBBGMPTXJAEF-HNNXBMFYSA-N 1 0 341.455 2.869 10 10 EFCERO Cc1cc(Br)cc([C@@H](C)[NH2+]CCOCCCO)c1O ZINC001322074504 1329426758 /nfs/dbraw/zinc/42/67/58/1329426758.db2.gz ZJDDPNXWBIBKKB-LLVKDONJSA-N 1 0 332.238 2.513 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)c2cc[nH]c2)C2CC2)cc1C ZINC001323008504 1329504459 /nfs/dbraw/zinc/50/44/59/1329504459.db2.gz UWNPITGISSTGIU-QGZVFWFLSA-N 1 0 327.428 2.630 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](NC(=O)c2cc[nH]c2)C2CC2)cc1C ZINC001323008501 1329504581 /nfs/dbraw/zinc/50/45/81/1329504581.db2.gz UWNPITGISSTGIU-KRWDZBQOSA-N 1 0 327.428 2.630 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@H](C)C(F)(F)F)CC2)cc1C ZINC001323516066 1329548804 /nfs/dbraw/zinc/54/88/04/1329548804.db2.gz HPPAUZPGUHQWPC-LBPRGKRZSA-N 1 0 344.377 2.940 10 10 EFCERO COCCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@H]1C ZINC001324043523 1329593632 /nfs/dbraw/zinc/59/36/32/1329593632.db2.gz TVKYWEMCFIQLII-NVXWUHKLSA-N 1 0 334.460 2.509 10 10 EFCERO OCCCOCC[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001327387438 1330470611 /nfs/dbraw/zinc/47/06/11/1330470611.db2.gz LHFQRUZPFXDIIM-UHFFFAOYSA-N 1 0 340.467 2.738 10 10 EFCERO C[NH+](C)CCC[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001327802411 1330517031 /nfs/dbraw/zinc/51/70/31/1330517031.db2.gz DASMUAVWMBSIOH-HXUWFJFHSA-N 1 0 331.504 2.829 10 10 EFCERO CN1CCN(c2ccc(C[NH2+]C[C@H]3CCN3C(C)(C)C)cc2F)CC1 ZINC001328157559 1330564334 /nfs/dbraw/zinc/56/43/34/1330564334.db2.gz BTFFRKHSYUVICB-QGZVFWFLSA-N 1 0 348.510 2.540 10 10 EFCERO CN1CCN(c2ccc(C[NH2+]CC[C@H]3CC3(F)F)cc2F)CC1 ZINC001328571183 1330603151 /nfs/dbraw/zinc/60/31/51/1330603151.db2.gz DEMRKSIEDWYYME-AWEZNQCLSA-N 1 0 327.394 2.712 10 10 EFCERO COCCC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001328588877 1330606402 /nfs/dbraw/zinc/60/64/02/1330606402.db2.gz OGTVDDWDCQTHJL-KRWDZBQOSA-N 1 0 334.460 2.511 10 10 EFCERO COc1ccc(C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)o1 ZINC001329152449 1330673715 /nfs/dbraw/zinc/67/37/15/1330673715.db2.gz RKOJUKBVZGLEJP-ZIAGYGMSSA-N 1 0 346.427 2.902 10 10 EFCERO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H]1CCN(C2CCOCC2)C1=O ZINC001329717545 1330730312 /nfs/dbraw/zinc/73/03/12/1330730312.db2.gz RRAQFJTXMYSWMM-FVQBIDKESA-N 1 0 344.455 2.618 10 10 EFCERO C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)c1ccns1 ZINC001329745478 1330732875 /nfs/dbraw/zinc/73/28/75/1330732875.db2.gz LVJGSXZYFXGJNB-CYBMUJFWSA-N 1 0 334.464 2.885 10 10 EFCERO COc1ccc(C[NH2+][C@H](CCNC(=O)[C@@H]2CCOC2)C(C)C)cc1C ZINC001331188746 1330803295 /nfs/dbraw/zinc/80/32/95/1330803295.db2.gz MTXAFJQSBGXKSP-QZTJIDSGSA-N 1 0 348.487 2.661 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2ncoc2C)cc1C ZINC001331393551 1330831665 /nfs/dbraw/zinc/83/16/65/1330831665.db2.gz RBMHFQKGZPXBBH-CYBMUJFWSA-N 1 0 331.416 2.550 10 10 EFCERO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)COC(C)C)[C@@H]2C)cc1C ZINC001331857847 1330881408 /nfs/dbraw/zinc/88/14/08/1330881408.db2.gz BUROZVLSAFMFHN-NVXWUHKLSA-N 1 0 334.460 2.508 10 10 EFCERO COc1ccc(C[NH2+][C@H]2CCN(C(=O)COC(C)C)[C@@H]2C)cc1C ZINC001331857850 1330881580 /nfs/dbraw/zinc/88/15/80/1330881580.db2.gz BUROZVLSAFMFHN-WBVHZDCISA-N 1 0 334.460 2.508 10 10 EFCERO c1cc(N2CCCC2)ccc1C[NH2+][C@H]1CCCN2CCSC[C@@H]12 ZINC001332319470 1330957376 /nfs/dbraw/zinc/95/73/76/1330957376.db2.gz VAENQLMJZTWSFD-OALUTQOASA-N 1 0 331.529 2.956 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](O)CN(C)C(=O)CC(C)=C(C)C)cc1C ZINC001332549289 1330983949 /nfs/dbraw/zinc/98/39/49/1330983949.db2.gz ADXFMOCFRHVBEY-GOSISDBHSA-N 1 0 348.487 2.659 10 10 EFCERO COC(=O)c1c(C[NH2+]C[C@H]2CCC[C@@H](O)C2)c2cc(F)ccc2n1C ZINC001332706196 1331005816 /nfs/dbraw/zinc/00/58/16/1331005816.db2.gz VWDJOSDGQUTLFV-GXTWGEPZSA-N 1 0 348.418 2.745 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](NC(=O)C(F)F)C(C)(C)C)cc1C ZINC001332754528 1331017032 /nfs/dbraw/zinc/01/70/32/1331017032.db2.gz UKJGBPKPJPTKMO-AWEZNQCLSA-N 1 0 328.403 2.889 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](NC(=O)c2cn[nH]c2)C(C)(C)C)cc1C ZINC001332768153 1331019654 /nfs/dbraw/zinc/01/96/54/1331019654.db2.gz CJYIYUPFQPXMLT-KRWDZBQOSA-N 1 0 344.459 2.661 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)c2cn[nH]c2)C(C)(C)C)cc1C ZINC001332768155 1331020192 /nfs/dbraw/zinc/02/01/92/1331020192.db2.gz CJYIYUPFQPXMLT-QGZVFWFLSA-N 1 0 344.459 2.661 10 10 EFCERO CCc1cc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)no1 ZINC001335858641 1331410670 /nfs/dbraw/zinc/41/06/70/1331410670.db2.gz DLYASRLKNZCXOK-MRXNPFEDSA-N 1 0 345.447 2.727 10 10 EFCERO Cc1cc(O)c(C[N@@H+]2C[C@@H](O)CC3(CCOCC3)C2)cc1Cl ZINC001338309330 1331689908 /nfs/dbraw/zinc/68/99/08/1331689908.db2.gz LIBRQJDPMURHHK-AWEZNQCLSA-N 1 0 325.836 2.717 10 10 EFCERO O=C(NCc1cccc(O)c1O)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC001347232871 1332726588 /nfs/dbraw/zinc/72/65/88/1332726588.db2.gz CJZRHTNMDWUKIA-QGZVFWFLSA-N 1 0 340.423 2.594 10 10 EFCERO COC(=O)N(C)CC[N@H+](C)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC001347238983 1332726766 /nfs/dbraw/zinc/72/67/66/1332726766.db2.gz SWCXBMLUPDYMGT-UHFFFAOYSA-N 1 0 338.448 2.828 10 10 EFCERO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001349507176 1332962447 /nfs/dbraw/zinc/96/24/47/1332962447.db2.gz NZQAUSBAVKEAIL-QXAKKESOSA-N 1 0 344.503 2.624 10 10 EFCERO CC[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@H]1CCCCO1 ZINC000847077476 1333312619 /nfs/dbraw/zinc/31/26/19/1333312619.db2.gz GKNFNVPCZNXEJR-RTBURBONSA-N 1 0 347.503 2.648 10 10 EFCERO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CC2(CCCCC2)O1 ZINC000848504074 1334761428 /nfs/dbraw/zinc/76/14/28/1334761428.db2.gz ATWWZXKXARJZEG-DYVFJYSZSA-N 1 0 333.428 2.742 10 10 EFCERO C[C@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CC2(CCCCC2)O1 ZINC000848504075 1334761585 /nfs/dbraw/zinc/76/15/85/1334761585.db2.gz ATWWZXKXARJZEG-GUYCJALGSA-N 1 0 333.428 2.742 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CCOC2)c1O ZINC000848526535 1334775370 /nfs/dbraw/zinc/77/53/70/1334775370.db2.gz ATKYHNDVHMHOJT-NXEZZACHSA-N 1 0 330.222 2.850 10 10 EFCERO CC[C@@](C)(O)C[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848528299 1334775970 /nfs/dbraw/zinc/77/59/70/1334775970.db2.gz KSQXWQROTCTKAL-LKFCYVNXSA-N 1 0 332.238 2.975 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](O)C(C)C)c1O ZINC000848530785 1334777542 /nfs/dbraw/zinc/77/75/42/1334777542.db2.gz KHRKDEMJFAMACO-JOYOIKCWSA-N 1 0 332.238 2.831 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+]CC2(CO)CC2)c1O ZINC000848531877 1334777547 /nfs/dbraw/zinc/77/75/47/1334777547.db2.gz VJEKWQZYQYIZQZ-SECBINFHSA-N 1 0 330.222 2.586 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)C[C@H](C)O)c1O ZINC000848544788 1334786672 /nfs/dbraw/zinc/78/66/72/1334786672.db2.gz OLSRIKRVCGFROY-GUBZILKMSA-N 1 0 332.238 2.973 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2C[C@H](O)C2(C)C)c1O ZINC000848546556 1334787677 /nfs/dbraw/zinc/78/76/77/1334787677.db2.gz BCBNUHZEAGSXFD-HJIKLVIJSA-N 1 0 344.249 2.973 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CC[C@H](O)C2)c1O ZINC000848548210 1334787792 /nfs/dbraw/zinc/78/77/92/1334787792.db2.gz YEZVXJFAPQMGIG-NHCYSSNCSA-N 1 0 344.249 2.975 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+]CCC2CC(O)C2)c1O ZINC000848547779 1334788767 /nfs/dbraw/zinc/78/87/67/1334788767.db2.gz UHIHDEZBCIZQPB-BMQDGWLCSA-N 1 0 344.249 2.975 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+]CCc2cn[nH]c2)c1O ZINC000848550575 1334790530 /nfs/dbraw/zinc/79/05/30/1334790530.db2.gz QSGGCARLHMGFJK-SECBINFHSA-N 1 0 340.221 2.780 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCC[C@H]2O)c1O ZINC000848551866 1334791315 /nfs/dbraw/zinc/79/13/15/1334791315.db2.gz DOSRSMBCKZCASP-OUJBWJOFSA-N 1 0 344.249 2.975 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CO[C@@H](C)C2)c1O ZINC000848554755 1334792496 /nfs/dbraw/zinc/79/24/96/1334792496.db2.gz BKYBHLWUACQLED-QXEWZRGKSA-N 1 0 330.222 2.991 10 10 EFCERO COc1ccc(N2CC[C@H](C[NH2+]Cc3cc4n(n3)CCCC4)C2)cc1 ZINC000848556281 1334792629 /nfs/dbraw/zinc/79/26/29/1334792629.db2.gz SENUZAIOVLFDPQ-MRXNPFEDSA-N 1 0 340.471 2.844 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CO[C@H](C)C2)c1O ZINC000848554756 1334792818 /nfs/dbraw/zinc/79/28/18/1334792818.db2.gz BKYBHLWUACQLED-WCABBAIRSA-N 1 0 330.222 2.991 10 10 EFCERO CCN(CC)c1ccc(C[NH2+]C[C@H]2CN(C3CC3)C(=O)O2)cc1F ZINC000848577918 1334805057 /nfs/dbraw/zinc/80/50/57/1334805057.db2.gz RSXQYPNARVICGP-HNNXBMFYSA-N 1 0 335.423 2.745 10 10 EFCERO CN(Cc1cc2n(n1)CCCC2)c1ccc(OCC[NH+](C)C)cc1 ZINC000848902301 1334974241 /nfs/dbraw/zinc/97/42/41/1334974241.db2.gz CHFNGQCLEXRAKQ-UHFFFAOYSA-N 1 0 328.460 2.796 10 10 EFCERO CCc1cccc(C[N@H+](C)C2CCN(c3cnccn3)CC2)c1O ZINC000848908147 1334977961 /nfs/dbraw/zinc/97/79/61/1334977961.db2.gz XOOALFMYGFZEMH-UHFFFAOYSA-N 1 0 326.444 2.845 10 10 EFCERO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCSC[C@H]2C(C)(C)C)cc1 ZINC001473750365 1335501409 /nfs/dbraw/zinc/50/14/09/1335501409.db2.gz NGVAOWSOGCIQFQ-KRWDZBQOSA-N 1 0 349.544 2.832 10 10 EFCERO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCc2cc(F)ccc2O)cc1 ZINC000849350107 1335596613 /nfs/dbraw/zinc/59/66/13/1335596613.db2.gz QCDAZBJWYSTRPP-ROUUACIJSA-N 1 0 330.403 2.775 10 10 EFCERO COc1c([O-])c(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)ccc1[N+](=O)[O-] ZINC000849350831 1335596875 /nfs/dbraw/zinc/59/68/75/1335596875.db2.gz XVWCIQKUMDTIMU-AWEZNQCLSA-N 1 0 349.431 2.521 10 10 EFCERO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCc2cc(F)ccc2O)cc1F ZINC000849352282 1335596992 /nfs/dbraw/zinc/59/69/92/1335596992.db2.gz KCPNLTBIPHZPCS-RDJZCZTQSA-N 1 0 348.393 2.914 10 10 EFCERO CC(C)c1nnc(N(C)Cc2ccccc2O)n1C[C@@H](C)[NH+](C)C ZINC001359681623 1335918085 /nfs/dbraw/zinc/91/80/85/1335918085.db2.gz KOWPMZWKOMFVII-CQSZACIVSA-N 1 0 331.464 2.694 10 10 EFCERO CC(C)(CNC(=O)c1ccc(N=NC(N)=O)cc1)[NH+]1CCCCC1 ZINC001440351302 1389556144 /nfs/dbraw/zinc/55/61/44/1389556144.db2.gz HUPLDGYBWPGMLN-UHFFFAOYSA-N 1 0 331.420 2.843 10 10 EFCERO C[NH+](C)[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)c1ccccc1 ZINC001440594730 1389764402 /nfs/dbraw/zinc/76/44/02/1389764402.db2.gz XCWKNGPAPLFXPC-INIZCTEOSA-N 1 0 339.399 2.882 10 10 EFCERO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)[C@H]2CCCOC2)cc1C ZINC001506913794 1406433946 /nfs/dbraw/zinc/43/39/46/1406433946.db2.gz JHVCYGMCSQZGMB-AEFFLSMTSA-N 1 0 348.487 2.805 10 10 EFCERO CC[NH+]1CCN(c2cccc(NC(=O)c3cccc(O)c3F)c2)CC1 ZINC001448052288 1391918426 /nfs/dbraw/zinc/91/84/26/1391918426.db2.gz GOJLURCDVBNEFS-UHFFFAOYSA-N 1 0 343.402 2.926 10 10 EFCERO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC[C@H](C)C[NH+](C)C ZINC001450355047 1392581706 /nfs/dbraw/zinc/58/17/06/1392581706.db2.gz GJSWENRNONHZKA-AWEZNQCLSA-N 1 0 341.455 2.834 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2cncs2)cc1C ZINC001507052904 1406643596 /nfs/dbraw/zinc/64/35/96/1406643596.db2.gz RHILALXGEFUTAQ-ZDUSSCGKSA-N 1 0 333.457 2.710 10 10 EFCERO CCc1nc(C(=O)N(C)C[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)co1 ZINC001507066017 1406658289 /nfs/dbraw/zinc/65/82/89/1406658289.db2.gz MGJAIOJBVQQSCC-AWEZNQCLSA-N 1 0 345.443 2.804 10 10 EFCERO O=C(NCc1cc(O)ccc1O)c1ccc(C[NH+]2CCCC2)cc1 ZINC001455355292 1394593540 /nfs/dbraw/zinc/59/35/40/1394593540.db2.gz SKAGDMBBUBVKFA-UHFFFAOYSA-N 1 0 326.396 2.624 10 10 EFCERO O=C(NCc1cccc(Cl)c1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001457038593 1394935562 /nfs/dbraw/zinc/93/55/62/1394935562.db2.gz XZEBDYCBEKBVAK-UHFFFAOYSA-N 1 0 328.759 2.556 10 10 EFCERO COC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1cc(F)cc(C(C)=O)c1O)C2 ZINC001460720869 1396247737 /nfs/dbraw/zinc/24/77/37/1396247737.db2.gz WQKYNGZLPZKQQI-UGSOOPFHSA-N 1 0 335.375 2.509 10 10 EFCERO C[NH+]1CCN(c2ccc(CNC(=O)c3ccc4c(c3)CCC4)cc2)CC1 ZINC001462465364 1396436204 /nfs/dbraw/zinc/43/62/04/1396436204.db2.gz DDFIXRGUTACESB-UHFFFAOYSA-N 1 0 349.478 2.857 10 10 EFCERO CC(C)[C@H](CNC(=O)Cc1ccc(O)c(O)c1)[NH+]1CCC(C)CC1 ZINC001464138676 1396550252 /nfs/dbraw/zinc/55/02/52/1396550252.db2.gz QJAAFPZSNSJEEV-INIZCTEOSA-N 1 0 334.460 2.513 10 10 EFCERO Cc1cc(CC(=O)NC[C@@H](C)C[NH+](C)C)c(C)n1-c1ccccc1 ZINC001468498406 1396962252 /nfs/dbraw/zinc/96/22/52/1396962252.db2.gz NKMBBVLLJQDACK-OAHLLOKOSA-N 1 0 327.472 2.951 10 10 EFCERO CN(C)c1ccc([C@H](CNC(=O)N[C@H]2CCC[C@@H]3C[C@@H]32)[NH+](C)C)cc1 ZINC001470475236 1397092047 /nfs/dbraw/zinc/09/20/47/1397092047.db2.gz ZYUONKOVNPPBMF-BVBHFADKSA-N 1 0 344.503 2.843 10 10 EFCERO CN(Cc1ccc(N2CCCC2)cc1)C(=O)NC[C@H]1CCCC[N@@H+]1C ZINC001471508797 1397179936 /nfs/dbraw/zinc/17/99/36/1397179936.db2.gz KLTQOCJKEUWJQU-LJQANCHMSA-N 1 0 344.503 2.913 10 10 EFCERO CN(C)c1ccc([C@@H](CNC(=O)NC2(C3CCC3)CC2)[NH+](C)C)cc1 ZINC001471548244 1397183197 /nfs/dbraw/zinc/18/31/97/1397183197.db2.gz SREKUKVMMNRDSW-GOSISDBHSA-N 1 0 344.503 2.987 10 10 EFCERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1O ZINC001473723163 1397325174 /nfs/dbraw/zinc/32/51/74/1397325174.db2.gz ZRXDDPDAWAUILA-NEPJUHHUSA-N 1 0 329.356 2.978 10 10 EFCERO Cn1cncc1C1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001473895099 1397346858 /nfs/dbraw/zinc/34/68/58/1397346858.db2.gz ZXHHGXUPLCCQMF-UHFFFAOYSA-N 1 0 340.471 2.636 10 10 EFCERO C[C@@H]1[C@@H](NC(=O)N(C)Cc2ccc(N3CCCC3)cc2)CC[N@@H+]1C ZINC001479377621 1397708065 /nfs/dbraw/zinc/70/80/65/1397708065.db2.gz WNIFQUPWQQVZMR-QAPCUYQASA-N 1 0 330.476 2.521 10 10 EFCERO COc1ccc(C[NH2+][C@@H](CNC(=O)C[C@H]2CCCO2)C2CC2)cc1C ZINC001480005426 1398084244 /nfs/dbraw/zinc/08/42/44/1398084244.db2.gz RZOXMEUYTYPRKB-MSOLQXFVSA-N 1 0 346.471 2.557 10 10 EFCERO CC(C)CC[NH2+][C@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001480173517 1398142922 /nfs/dbraw/zinc/14/29/22/1398142922.db2.gz BFUBIUBEACNJRC-SHTZXODSSA-N 1 0 331.420 2.746 10 10 EFCERO CCCc1nc(C(=O)NC[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)co1 ZINC001480571543 1398215834 /nfs/dbraw/zinc/21/58/34/1398215834.db2.gz IGJXDNLFUMAYGY-AWEZNQCLSA-N 1 0 345.443 2.852 10 10 EFCERO CC(C)CCC[NH2+][C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001480602460 1398243335 /nfs/dbraw/zinc/24/33/35/1398243335.db2.gz YAKBWNAOLNQIPV-ZDUSSCGKSA-N 1 0 333.436 2.993 10 10 EFCERO COc1ccc(C[NH2+][C@@H]2CCC[C@H](NC(=O)CC(C)(C)O)C2)cc1C ZINC001480693856 1398287677 /nfs/dbraw/zinc/28/76/77/1398287677.db2.gz VQJIUMVUQSICPB-SJORKVTESA-N 1 0 348.487 2.682 10 10 EFCERO CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001507420483 1407034201 /nfs/dbraw/zinc/03/42/01/1407034201.db2.gz ITZPFZNWYJGPPB-DOMZBBRYSA-N 1 0 331.420 2.747 10 10 EFCERO CC[C@H](CNC(=O)c1c(C)noc1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001494938366 1399568285 /nfs/dbraw/zinc/56/82/85/1399568285.db2.gz MXSIKALEUMELED-MRXNPFEDSA-N 1 0 345.443 2.907 10 10 EFCERO CCc1cc(C(=O)NC[C@H](CC)[NH2+]Cc2ccc(OC)c(C)c2)[nH]n1 ZINC001494944014 1399571252 /nfs/dbraw/zinc/57/12/52/1399571252.db2.gz XWWIWYOFHRPJGD-INIZCTEOSA-N 1 0 344.459 2.587 10 10 EFCERO CCO[C@H](C)C(=O)N1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C(C)(C)C1 ZINC001507425064 1407039007 /nfs/dbraw/zinc/03/90/07/1407039007.db2.gz FHHCNFJKRSHZPI-CRAIPNDOSA-N 1 0 348.487 2.755 10 10 EFCERO CC[C@@H](CNC(=O)c1ccn(C)c1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001495055789 1399631557 /nfs/dbraw/zinc/63/15/57/1399631557.db2.gz XJHUTWQZXIPPME-KRWDZBQOSA-N 1 0 343.471 2.949 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)c2cncs2)cc1C ZINC001496016178 1400416574 /nfs/dbraw/zinc/41/65/74/1400416574.db2.gz YXTKYIPZNNYIQH-ZDUSSCGKSA-N 1 0 333.457 2.710 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CC2CCOCC2)cc1C ZINC001496025098 1400422663 /nfs/dbraw/zinc/42/26/63/1400422663.db2.gz JCTPAEJJHKSQIJ-MRXNPFEDSA-N 1 0 348.487 2.757 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C[C@H]2CCCCO2)cc1C ZINC001496043224 1400437019 /nfs/dbraw/zinc/43/70/19/1400437019.db2.gz SBSYBUWGLIUTHA-FUHWJXTLSA-N 1 0 348.487 2.899 10 10 EFCERO CC[C@H](C)C[NH2+]CC[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001497329492 1401306112 /nfs/dbraw/zinc/30/61/12/1401306112.db2.gz NUCRSVBNMIAYFN-STQMWFEESA-N 1 0 333.436 2.993 10 10 EFCERO CC(C)=CC[NH2+]CC[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001497332381 1401307765 /nfs/dbraw/zinc/30/77/65/1401307765.db2.gz ZAJBNSSUWFJHBN-CYBMUJFWSA-N 1 0 331.420 2.913 10 10 EFCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)C[C@@H]1CCCO1 ZINC001497361095 1401326879 /nfs/dbraw/zinc/32/68/79/1401326879.db2.gz YSCAGTPLRYHVQB-KRWDZBQOSA-N 1 0 334.460 2.511 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2cc(Cl)c[nH]2)cc1C ZINC001497788315 1401658161 /nfs/dbraw/zinc/65/81/61/1401658161.db2.gz DXSVFSDQYSGGBM-GFCCVEGCSA-N 1 0 335.835 2.893 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2scnc2C)cc1C ZINC001497791722 1401659625 /nfs/dbraw/zinc/65/96/25/1401659625.db2.gz KXYOGGGWLIEKMA-GFCCVEGCSA-N 1 0 333.457 2.677 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2cccnc2C)cc1C ZINC001497895527 1401724343 /nfs/dbraw/zinc/72/43/43/1401724343.db2.gz ZYBJBVDQQLDYHL-CQSZACIVSA-N 1 0 327.428 2.615 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H](OC)C2CCCC2)cc1C ZINC001497975936 1401786791 /nfs/dbraw/zinc/78/67/91/1401786791.db2.gz ULBXATIRLWZSJW-DNVCBOLYSA-N 1 0 348.487 2.803 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2cc(C)cc(C)n2)cc1C ZINC001498064514 1401839099 /nfs/dbraw/zinc/83/90/99/1401839099.db2.gz WDZUFJNUYAXQRC-INIZCTEOSA-N 1 0 341.455 2.924 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](NC(=O)c2ccco2)C2CC2)cc1C ZINC001498719276 1402249897 /nfs/dbraw/zinc/24/98/97/1402249897.db2.gz ADSPHTAIXNXQJP-INIZCTEOSA-N 1 0 328.412 2.895 10 10 EFCERO CCO[C@H](C)C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001499875220 1402835893 /nfs/dbraw/zinc/83/58/93/1402835893.db2.gz WQWDIAYJKHLOIN-WBVHZDCISA-N 1 0 334.460 2.509 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@H]3CCO[C@@H]3C)CCC2)cc1C ZINC001502012077 1403946979 /nfs/dbraw/zinc/94/69/79/1403946979.db2.gz UXNLPRNFVFKMMO-WBVHZDCISA-N 1 0 346.471 2.557 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2cccnc2)cc1C ZINC001505547089 1404757169 /nfs/dbraw/zinc/75/71/69/1404757169.db2.gz FXRYEDGFUKHIGI-LSDHHAIUSA-N 1 0 327.428 2.695 10 10 EFCERO C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@H](C)[NH2+]C/C=C\Cl ZINC001505764384 1405039036 /nfs/dbraw/zinc/03/90/36/1405039036.db2.gz FMWYAJZXVBELCX-PGSWRRDYSA-N 1 0 337.811 2.698 10 10 EFCERO CC(C)[NH2+]CC(C)(C)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001505849955 1405140348 /nfs/dbraw/zinc/14/03/48/1405140348.db2.gz FKNWPDHQGPUIMB-UHFFFAOYSA-N 1 0 333.436 2.945 10 10 EFCERO C[C@@H](F)CC[N@H+](C)[C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001506067716 1405428662 /nfs/dbraw/zinc/42/86/62/1405428662.db2.gz TWUFRZDSHDOHHL-NEPJUHHUSA-N 1 0 337.399 2.647 10 10 EFCERO COCCC(=O)N1CCCCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001566064657 1415499259 /nfs/dbraw/zinc/49/92/59/1415499259.db2.gz UIYSVAVYLUJPRS-SFHVURJKSA-N 1 0 348.487 2.901 10 10 EFCERO CC[C@@H](C)C[N@H+](C)CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001566521554 1415611134 /nfs/dbraw/zinc/61/11/34/1415611134.db2.gz TXDJBIKORAXMOM-CYBMUJFWSA-N 1 0 333.436 2.947 10 10 EFCERO COc1ccc(C[NH2+][C@@H](CNC(=O)COC(C)(C)C)C2CC2)cc1C ZINC001566707408 1415742131 /nfs/dbraw/zinc/74/21/31/1415742131.db2.gz GUTHFQYBLIZOGL-KRWDZBQOSA-N 1 0 348.487 2.803 10 10 EFCERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2c[nH]cc2C)C2CC2)cc1C ZINC001566733758 1415749650 /nfs/dbraw/zinc/74/96/50/1415749650.db2.gz XGVGOFGWUJZYJB-SFHVURJKSA-N 1 0 341.455 2.938 10 10 EFCERO CCO[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1)C(C)C ZINC001566790761 1415776416 /nfs/dbraw/zinc/77/64/16/1415776416.db2.gz XJDJKXWQMAFTCX-ZHALLVOQSA-N 1 0 348.487 2.802 10 10 EFCERO CCO[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1)C(C)C ZINC001566790760 1415776808 /nfs/dbraw/zinc/77/68/08/1415776808.db2.gz XJDJKXWQMAFTCX-LNLFQRSKSA-N 1 0 348.487 2.802 10 10 EFCERO CC[C@@H](C)[C@H](OC)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001566843736 1415796701 /nfs/dbraw/zinc/79/67/01/1415796701.db2.gz LMBRAAKHPVLKTI-WKCGWZECSA-N 1 0 348.487 2.802 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)CCc2ccoc2)cc1C ZINC001567007889 1415897259 /nfs/dbraw/zinc/89/72/59/1415897259.db2.gz CNGQOWGWCNJWBW-HNNXBMFYSA-N 1 0 330.428 2.824 10 10 EFCERO COCC1(C(=O)NC[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)CCCC1 ZINC001567022003 1415903968 /nfs/dbraw/zinc/90/39/68/1415903968.db2.gz PVSDAFKNKIMYGG-INIZCTEOSA-N 1 0 348.487 2.805 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H](C)C(C)(F)F)cc1C ZINC001567053724 1415917476 /nfs/dbraw/zinc/91/74/76/1415917476.db2.gz CDAKCFUHHTUIPJ-OLZOCXBDSA-N 1 0 328.403 2.889 10 10 EFCERO CCCOCC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001567160259 1415958743 /nfs/dbraw/zinc/95/87/43/1415958743.db2.gz UFGYTXFQJHIDDF-QZTJIDSGSA-N 1 0 348.487 2.947 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)c2ncccc2C)cc1C ZINC001567480296 1416154862 /nfs/dbraw/zinc/15/48/62/1416154862.db2.gz GNRDZIFFKQRHLV-UHFFFAOYSA-N 1 0 327.428 2.569 10 10 EFCERO Cc1ccccc1[C@@H]([C@H](C)NC(=O)Cc1ccc(O)c(O)c1)[NH+](C)C ZINC001567696399 1416251890 /nfs/dbraw/zinc/25/18/90/1416251890.db2.gz KXXINVJNZFGOJI-VBKZILBWSA-N 1 0 342.439 2.756 10 10 EFCERO CC[C@H](CNC(=O)c1ccc(C)n1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567951180 1416341162 /nfs/dbraw/zinc/34/11/62/1416341162.db2.gz NDKRHGOOWKBLEX-QGZVFWFLSA-N 1 0 343.471 2.949 10 10 EFCERO CC[C@H](CNC(=O)c1cc[nH]c1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567954926 1416342222 /nfs/dbraw/zinc/34/22/22/1416342222.db2.gz JUFOEXHZAFMLHT-MRXNPFEDSA-N 1 0 329.444 2.938 10 10 EFCERO CCc1cc(C(=O)NC[C@H](CC)[NH2+]Cc2ccc(OC)c(C)c2)no1 ZINC001567984953 1416350544 /nfs/dbraw/zinc/35/05/44/1416350544.db2.gz XFPXFMOFZKPDTK-HNNXBMFYSA-N 1 0 345.443 2.852 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2c(C)noc2C)cc1C ZINC001568257911 1416457881 /nfs/dbraw/zinc/45/78/81/1416457881.db2.gz RNEPVEBJVCWRCF-CYBMUJFWSA-N 1 0 345.443 2.859 10 10 EFCERO CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2C[C@H]3CCC[C@@H]32)[NH+](C)C)cc1 ZINC001685608905 1416768802 /nfs/dbraw/zinc/76/88/02/1416768802.db2.gz JWEZNBUUHYRJLF-LULLPPNCSA-N 1 0 344.503 2.843 10 10 EFCERO C[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC001685617981 1416768820 /nfs/dbraw/zinc/76/88/20/1416768820.db2.gz ZICUDLQNKYPYGN-OAHLLOKOSA-N 1 0 331.460 2.555 10 10 EFCERO CC[C@H]1C[N@H+](C)CCN1C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001686826267 1416810462 /nfs/dbraw/zinc/81/04/62/1416810462.db2.gz FCXDUJXKIMBDAM-AEFFLSMTSA-N 1 0 346.519 2.728 10 10 EFCERO CCOCCCC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001690219015 1417177182 /nfs/dbraw/zinc/17/71/82/1417177182.db2.gz AUKSPHINTCVKTG-KRWDZBQOSA-N 1 0 334.460 2.511 10 10 EFCERO COC[C@H](C)[C@@H](C)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001690341506 1417193430 /nfs/dbraw/zinc/19/34/30/1417193430.db2.gz QTWRFZGMFGPYMU-CIRFHOKZSA-N 1 0 348.487 2.659 10 10 EFCERO COC[C@H](C)[C@H](C)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001690341508 1417193547 /nfs/dbraw/zinc/19/35/47/1417193547.db2.gz QTWRFZGMFGPYMU-UOVPBQLFSA-N 1 0 348.487 2.659 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)Cc2cc(C)on2)cc1C ZINC001690836056 1417243277 /nfs/dbraw/zinc/24/32/77/1417243277.db2.gz SVENXOZCBVKGPO-AWEZNQCLSA-N 1 0 345.443 2.527 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2C[C@H]2C2CC2)cc1C ZINC001698848024 1417340364 /nfs/dbraw/zinc/34/03/64/1417340364.db2.gz KFMHLIOKBNWGKY-JCGIZDLHSA-N 1 0 330.472 2.986 10 10 EFCERO COc1ccc(C(=O)NCC2([NH2+]Cc3ccc(OC)c(C)c3)CC2)o1 ZINC001699668418 1417444938 /nfs/dbraw/zinc/44/49/38/1417444938.db2.gz YHILCTOGGGYLGK-UHFFFAOYSA-N 1 0 344.411 2.657 10 10 EFCERO CCCC[NH2+]C[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1C ZINC001699971394 1417532138 /nfs/dbraw/zinc/53/21/38/1417532138.db2.gz SYABMMFZKJFGEH-ZFWWWQNUSA-N 1 0 345.447 2.947 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)CCCC(C)=O)C2)cc1C ZINC001700833656 1417662333 /nfs/dbraw/zinc/66/23/33/1417662333.db2.gz VFZYCKFPCNPTFI-YJBOKZPZSA-N 1 0 346.471 2.842 10 10 EFCERO COC(=O)[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000151645985 1418246361 /nfs/dbraw/zinc/24/63/61/1418246361.db2.gz IOUAHCWWDMEXLG-CQSZACIVSA-N 1 0 329.396 2.939 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C[C@@H](C)SC)C2)cc1C ZINC001713157415 1418343772 /nfs/dbraw/zinc/34/37/72/1418343772.db2.gz JANUVNFHEZLIPO-FVQBIDKESA-N 1 0 336.501 2.882 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)Cc2cnccc2C)cc1C ZINC001713316198 1418470166 /nfs/dbraw/zinc/47/01/66/1418470166.db2.gz MLHXYUIEWDPUSI-INIZCTEOSA-N 1 0 341.455 2.544 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2[nH]ccc2C)cc1C ZINC001713406856 1418511730 /nfs/dbraw/zinc/51/17/30/1418511730.db2.gz NMGYLIIIJZLDMJ-OAHLLOKOSA-N 1 0 329.444 2.938 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2cccc(C)n2)cc1C ZINC001714550012 1418607888 /nfs/dbraw/zinc/60/78/88/1418607888.db2.gz SPILELOAJFDAOV-MRXNPFEDSA-N 1 0 341.455 2.957 10 10 EFCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@@H]1CCO[C@H](C)C1 ZINC001716252395 1418740485 /nfs/dbraw/zinc/74/04/85/1418740485.db2.gz KLKHKRKVGWMXHZ-SJLPKXTDSA-N 1 0 348.487 2.757 10 10 EFCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)C[C@@H]1CCCOC1 ZINC001716254693 1418741647 /nfs/dbraw/zinc/74/16/47/1418741647.db2.gz RYXXAISJUNKGPL-SFHVURJKSA-N 1 0 348.487 2.758 10 10 EFCERO CCc1ncsc1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001716439233 1418883430 /nfs/dbraw/zinc/88/34/30/1418883430.db2.gz GTGVOGYPGGNZBY-ZDUSSCGKSA-N 1 0 347.484 2.931 10 10 EFCERO CCc1cccnc1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001716442842 1418884632 /nfs/dbraw/zinc/88/46/32/1418884632.db2.gz PYNXEQOKCLOARP-HNNXBMFYSA-N 1 0 341.455 2.869 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)c2coc(C)n2)C2CC2)cc1C ZINC001716608518 1418923169 /nfs/dbraw/zinc/92/31/69/1418923169.db2.gz CIFBKXXPPBVBJN-MRXNPFEDSA-N 1 0 343.427 2.598 10 10 EFCERO COC[C@H](C)C(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001717074336 1419188960 /nfs/dbraw/zinc/18/89/60/1419188960.db2.gz MZOCCGBIDDLKRJ-DLBZAZTESA-N 1 0 348.487 2.614 10 10 EFCERO CCCCCC(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001717164370 1419244183 /nfs/dbraw/zinc/24/41/83/1419244183.db2.gz CKBAZJNXCAEIDC-SFHVURJKSA-N 1 0 348.487 2.901 10 10 EFCERO CCCCCC(=O)N1CCO[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001717164369 1419244241 /nfs/dbraw/zinc/24/42/41/1419244241.db2.gz CKBAZJNXCAEIDC-GOSISDBHSA-N 1 0 348.487 2.901 10 10 EFCERO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)c2n[nH]cc2C)cc1C ZINC001717668463 1419496220 /nfs/dbraw/zinc/49/62/20/1419496220.db2.gz ZYEJYTLRSRBTIG-HNNXBMFYSA-N 1 0 344.459 2.723 10 10 EFCERO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CCCC(C)=O)[C@@H]2C)cc1C ZINC001717787670 1419541887 /nfs/dbraw/zinc/54/18/87/1419541887.db2.gz KUCUASLZSRPKEM-SJLPKXTDSA-N 1 0 346.471 2.842 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)[C@@H]2CCOC2)C(C)(C)C)cc1C ZINC001717956773 1419628196 /nfs/dbraw/zinc/62/81/96/1419628196.db2.gz YGQKQZMGXOAUIJ-SJLPKXTDSA-N 1 0 348.487 2.661 10 10 EFCERO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H](C)[C@H]2CCCO2)cc1C ZINC001723115358 1424427891 /nfs/dbraw/zinc/42/78/91/1424427891.db2.gz AGDLBNQZZZPJSA-QFBILLFUSA-N 1 0 348.487 2.757 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)c3ccc(C)nc3)CC2)cc1C ZINC001723490418 1424511590 /nfs/dbraw/zinc/51/15/90/1424511590.db2.gz GBOSDCKYLHCVRO-UHFFFAOYSA-N 1 0 339.439 2.759 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)COC3CCCC3)CC2)cc1C ZINC001723500629 1424514212 /nfs/dbraw/zinc/51/42/12/1424514212.db2.gz UFPFTOAPBMTBKN-UHFFFAOYSA-N 1 0 346.471 2.701 10 10 EFCERO CCOCCCC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001724931801 1425141752 /nfs/dbraw/zinc/14/17/52/1425141752.db2.gz NDCBPKNUNHHPLZ-AEFFLSMTSA-N 1 0 348.487 2.757 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CCCOCC2)cc1C ZINC001725487204 1425614540 /nfs/dbraw/zinc/61/45/40/1425614540.db2.gz UVIDDOCHNYTOHJ-FUHWJXTLSA-N 1 0 348.487 2.757 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](OC)C(C)C)cc1C ZINC001725504001 1425624046 /nfs/dbraw/zinc/62/40/46/1425624046.db2.gz IDHGQFQONKEUJY-YJBOKZPZSA-N 1 0 336.476 2.611 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H](OC)C(C)C)cc1C ZINC001725503998 1425624392 /nfs/dbraw/zinc/62/43/92/1425624392.db2.gz IDHGQFQONKEUJY-QAPCUYQASA-N 1 0 336.476 2.611 10 10 EFCERO C[C@H](CN(C)C(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CC1CCC1 ZINC001725523963 1425634952 /nfs/dbraw/zinc/63/49/52/1425634952.db2.gz MZHSEQVYJRBUEY-GFCCVEGCSA-N 1 0 331.420 2.699 10 10 EFCERO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1cc(Br)ccc1O ZINC000804733535 713454741 /nfs/dbraw/zinc/45/47/41/713454741.db2.gz RWYFRPJIIUYMOD-JTQLQIEISA-N 1 0 343.265 2.938 10 10 EFCERO CC(=O)CCC(C)(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891254243 714149036 /nfs/dbraw/zinc/14/90/36/714149036.db2.gz XVIIPLYCEFLXTR-SFHVURJKSA-N 1 0 347.503 2.867 10 10 EFCERO CC[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1cc(Br)ccc1O ZINC000723570967 714663562 /nfs/dbraw/zinc/66/35/62/714663562.db2.gz NSYMFTHJNQHTJV-MFKMUULPSA-N 1 0 341.249 2.674 10 10 EFCERO CC(C)C[C@]1(CO)CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000188040006 715646289 /nfs/dbraw/zinc/64/62/89/715646289.db2.gz QHTZQAJTGRULJG-FQEVSTJZSA-N 1 0 332.488 2.896 10 10 EFCERO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F ZINC000895678365 724249114 /nfs/dbraw/zinc/24/91/14/724249114.db2.gz VCDUZVXOJKSNDH-GFCCVEGCSA-N 1 0 326.309 2.709 10 10 EFCERO Cc1ccc(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)c(O)c1O ZINC000177685908 718165358 /nfs/dbraw/zinc/16/53/58/718165358.db2.gz KAIAMEUMOWZWAT-UHFFFAOYSA-N 1 0 332.375 2.537 10 10 EFCERO CCN(CC)c1ccc(C[N@@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)cc1 ZINC000180235708 718312754 /nfs/dbraw/zinc/31/27/54/718312754.db2.gz DUBOVEZIOJKQGD-FXAWDEMLSA-N 1 0 331.504 2.685 10 10 EFCERO Cc1cc(O)c(C[NH2+]CCS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000840885306 718364226 /nfs/dbraw/zinc/36/42/26/718364226.db2.gz XDZVRQCGNWPHGC-UHFFFAOYSA-N 1 0 339.844 2.918 10 10 EFCERO COc1ccc(O)c(C[N@@H+]2CCC[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC000180530368 719945367 /nfs/dbraw/zinc/94/53/67/719945367.db2.gz UQTGPYMPSUSICV-AWEZNQCLSA-N 1 0 336.432 2.890 10 10 EFCERO COC(=O)c1c(CN2CCC[C@@H](OC)C2)c2cc(F)ccc2n1C ZINC000893960333 720185897 /nfs/dbraw/zinc/18/58/97/720185897.db2.gz STVQJZGRWVVNQY-CYBMUJFWSA-N 1 0 334.391 2.715 10 10 EFCERO C[NH+]1CCC(C)(CNC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000897344718 724662136 /nfs/dbraw/zinc/66/21/36/724662136.db2.gz AELBRLBZTSLQLD-UHFFFAOYSA-N 1 0 334.441 2.774 10 10 EFCERO C[C@H](C[N@H+](C)Cc1ccc(N2CCCCC2)cc1)CS(C)(=O)=O ZINC000162627235 720834659 /nfs/dbraw/zinc/83/46/59/720834659.db2.gz QKUQTHCIDORWGS-MRXNPFEDSA-N 1 0 338.517 2.789 10 10 EFCERO Cc1cc(O)c(CN2CC[NH+](CC3CCOCC3)CC2)c(Cl)c1 ZINC000840914817 720912317 /nfs/dbraw/zinc/91/23/17/720912317.db2.gz GPVSMPOXKOKQRH-UHFFFAOYSA-N 1 0 338.879 2.898 10 10 EFCERO COC(=O)CC[N@@H+](Cc1c(O)cc(C)cc1Cl)C[C@@H]1CCCO1 ZINC000840917155 720957033 /nfs/dbraw/zinc/95/70/33/720957033.db2.gz HIYUVDAVUJFQCF-ZDUSSCGKSA-N 1 0 341.835 2.898 10 10 EFCERO C[C@@H]1CN(c2ccc(C[NH2+][C@H]3COCC3(C)C)cc2F)C[C@H](C)O1 ZINC000894192892 721187833 /nfs/dbraw/zinc/18/78/33/721187833.db2.gz JHNROWJPSJQMIW-IYOUNJFTSA-N 1 0 336.451 2.954 10 10 EFCERO COC(=O)c1c(C[NH2+]C[C@H](O)CC(C)C)c2cc(F)ccc2n1C ZINC000894210656 721246817 /nfs/dbraw/zinc/24/68/17/721246817.db2.gz IIBYBCRAHWBOFU-CYBMUJFWSA-N 1 0 336.407 2.601 10 10 EFCERO COc1cc(C)cc(C[NH2+]Cc2nccn2CC(F)(F)F)c1O ZINC000894221351 721289132 /nfs/dbraw/zinc/28/91/32/721289132.db2.gz OOCSLHSERAPBHY-UHFFFAOYSA-N 1 0 329.322 2.758 10 10 EFCERO COC(=O)c1c(C[NH2+][C@@H](CCO)C(C)C)c2cc(F)ccc2n1C ZINC000894301450 722009791 /nfs/dbraw/zinc/00/97/91/722009791.db2.gz ZEFPVGFYOCFQNB-HNNXBMFYSA-N 1 0 336.407 2.601 10 10 EFCERO COC(=O)c1cnc(C[NH2+]CCCSc2nccs2)s1 ZINC000894303119 722018482 /nfs/dbraw/zinc/01/84/82/722018482.db2.gz GKPMISOPODOYSZ-UHFFFAOYSA-N 1 0 329.472 2.658 10 10 EFCERO COC(=O)c1c(C[NH2+]CCOC2CCC2)c2cc(F)ccc2n1C ZINC000894316629 722079353 /nfs/dbraw/zinc/07/93/53/722079353.db2.gz XGGVBHLYEQWXPR-UHFFFAOYSA-N 1 0 334.391 2.763 10 10 EFCERO COC(=O)c1c(C[NH2+]C[C@@]2(C)CCCO2)c2cc(F)ccc2n1C ZINC000894347228 722154760 /nfs/dbraw/zinc/15/47/60/722154760.db2.gz HUIRBANHOSQJGR-GOSISDBHSA-N 1 0 334.391 2.763 10 10 EFCERO CN(Cc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000894461208 722746017 /nfs/dbraw/zinc/74/60/17/722746017.db2.gz DIPFHVOGMFLAKK-UHFFFAOYSA-N 1 0 340.427 2.845 10 10 EFCERO COc1cc(C)cc(C[NH+]2CCN(c3cc(C4CC4)[nH]n3)CC2)c1O ZINC000894494775 722759264 /nfs/dbraw/zinc/75/92/64/722759264.db2.gz PVWFAMRZBPXBDK-UHFFFAOYSA-N 1 0 342.443 2.632 10 10 EFCERO COc1cc(C)cc(C[NH2+][C@@H]2CCCN(c3cc(C)nn3C)C2)c1O ZINC000894574807 722786260 /nfs/dbraw/zinc/78/62/60/722786260.db2.gz YHDUDPPCEPXFPO-MRXNPFEDSA-N 1 0 344.459 2.510 10 10 EFCERO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894881365 722937548 /nfs/dbraw/zinc/93/75/48/722937548.db2.gz OQGUHXHKTUEPIX-WBMJQRKESA-N 1 0 348.418 2.697 10 10 EFCERO COC(=O)c1c(C[N@H+]2CC[C@@H](OC)[C@@H](C)C2)c2cc(F)ccc2n1C ZINC000894902356 723019729 /nfs/dbraw/zinc/01/97/29/723019729.db2.gz JGYCQVBRPCQUGY-YVEFUNNKSA-N 1 0 348.418 2.961 10 10 EFCERO COC(=O)c1c(C[NH2+]C[C@@H]2CCCC[C@H]2O)c2cc(F)ccc2n1C ZINC000894913648 723027149 /nfs/dbraw/zinc/02/71/49/723027149.db2.gz BXJKCSQWDCPJEY-YVEFUNNKSA-N 1 0 348.418 2.745 10 10 EFCERO CN(C)c1ccc(/C=C\C[N@@H+]2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)cc1 ZINC000895005170 723046812 /nfs/dbraw/zinc/04/68/12/723046812.db2.gz MYSHJSZZPSMXOQ-RJNMZEQYSA-N 1 0 349.478 2.967 10 10 EFCERO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000895942083 723065900 /nfs/dbraw/zinc/06/59/00/723065900.db2.gz DMGJYXLZYTZEEZ-NSHDSACASA-N 1 0 334.441 2.773 10 10 EFCERO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000895970974 723077068 /nfs/dbraw/zinc/07/70/68/723077068.db2.gz HXIYWIUDIINDLI-NSHDSACASA-N 1 0 334.441 2.774 10 10 EFCERO COc1cc(C)cc(C[NH2+][C@@H](C2CCOCC2)C2(CO)CCC2)c1O ZINC000895057331 723105795 /nfs/dbraw/zinc/10/57/95/723105795.db2.gz LDLFKOAKPOHULZ-IBGZPJMESA-N 1 0 349.471 2.757 10 10 EFCERO Cc1cc(N(C)C)ccc1C[N@@H+]1CCc2nc[nH]c2C12CCOCC2 ZINC000895070330 723176066 /nfs/dbraw/zinc/17/60/66/723176066.db2.gz OKDVOXVGJRYLAX-UHFFFAOYSA-N 1 0 340.471 2.848 10 10 EFCERO COC(=O)c1c(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c2cc(F)ccc2n1C ZINC000895076094 723202686 /nfs/dbraw/zinc/20/26/86/723202686.db2.gz QFOVMACNOXMPAM-PXAZEXFGSA-N 1 0 346.402 2.715 10 10 EFCERO COc1ccc(N(C)CC[N@H+](C)Cc2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000895137250 723428104 /nfs/dbraw/zinc/42/81/04/723428104.db2.gz LNIBDXJJEPREGB-UHFFFAOYSA-N 1 0 340.427 2.845 10 10 EFCERO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000896754686 723464684 /nfs/dbraw/zinc/46/46/84/723464684.db2.gz GVZLJOPXCNAUJN-LLVKDONJSA-N 1 0 334.441 2.726 10 10 EFCERO C[C@@H]1C[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C[N@@H+]1C1CC1 ZINC000896899572 723802314 /nfs/dbraw/zinc/80/23/14/723802314.db2.gz UJFBWDAWKAELIB-KOLCDFICSA-N 1 0 332.425 2.668 10 10 EFCERO C[C@H]1C[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C[N@@H+]1C1CC1 ZINC000896899568 723802337 /nfs/dbraw/zinc/80/23/37/723802337.db2.gz UJFBWDAWKAELIB-GXSJLCMTSA-N 1 0 332.425 2.668 10 10 EFCERO O=c1cc[nH]c2cc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)ccc12 ZINC000895201967 723873209 /nfs/dbraw/zinc/87/32/09/723873209.db2.gz KGSCAWPOFNWOKN-UHFFFAOYSA-N 1 0 349.434 2.655 10 10 EFCERO C[C@H]1C[C@H](N(C)C(=O)NCCCSc2nccs2)CC[N@@H+]1C ZINC000154673901 728856604 /nfs/dbraw/zinc/85/66/04/728856604.db2.gz GEKRNSMPNRVOKB-QWHCGFSZSA-N 1 0 342.534 2.749 10 10 EFCERO CC(C)CN(CC[NH+](C)C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897056253 723970962 /nfs/dbraw/zinc/97/09/62/723970962.db2.gz JFLQUQJDMKPGGH-UHFFFAOYSA-N 1 0 336.457 2.972 10 10 EFCERO COCc1ncc2c(n1)CC[N@@H+](C/C=C\c1ccc(N(C)C)cc1)C2 ZINC000895416937 724125084 /nfs/dbraw/zinc/12/50/84/724125084.db2.gz ICMXZKBUYGHRPL-PLNGDYQASA-N 1 0 338.455 2.761 10 10 EFCERO COC(=O)c1c(C[N@@H+]2CC[C@H](C(C)(C)O)C2)c2cc(F)ccc2n1C ZINC000895477336 724154144 /nfs/dbraw/zinc/15/41/44/724154144.db2.gz IHAZUIHWDRRMTA-LBPRGKRZSA-N 1 0 348.418 2.697 10 10 EFCERO COc1cc(C)cc(C[NH2+]C[C@H]2CCC3(CCOCC3)CO2)c1O ZINC000895537459 724186719 /nfs/dbraw/zinc/18/67/19/724186719.db2.gz SDSPFOZNDMHTBV-MRXNPFEDSA-N 1 0 335.444 2.775 10 10 EFCERO COc1cccc(O)c1CN1CC[NH+](CCCOC(C)(C)C)CC1 ZINC000895646141 724241945 /nfs/dbraw/zinc/24/19/45/724241945.db2.gz VLKICOGXSMSJRC-UHFFFAOYSA-N 1 0 336.476 2.724 10 10 EFCERO Oc1cccc(Br)c1C[NH+]1CCC2(CC1)COCCO2 ZINC000895700002 724263338 /nfs/dbraw/zinc/26/33/38/724263338.db2.gz PEHJXPZZGTUHDQ-UHFFFAOYSA-N 1 0 342.233 2.536 10 10 EFCERO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc2cc(O)c(O)cc2s1 ZINC000895756434 724300219 /nfs/dbraw/zinc/30/02/19/724300219.db2.gz XAZWIOQGRQAUOQ-NEPJUHHUSA-N 1 0 332.425 2.669 10 10 EFCERO NC(=O)C1CCN(c2ccc(C[NH2+]C[C@@H]3CC[C@H]4C[C@H]4C3)cc2)CC1 ZINC000895813864 724328492 /nfs/dbraw/zinc/32/84/92/724328492.db2.gz IKIZDSZLIXFEJS-NZSAHSFTSA-N 1 0 341.499 2.914 10 10 EFCERO Cc1cc(C(=O)CN2C[C@H]3C[NH2+]C[C@H]3C2)c(C)n1-c1cccc(C)c1 ZINC000728913399 724884132 /nfs/dbraw/zinc/88/41/32/724884132.db2.gz ADFYJCHCSKKZME-HDICACEKSA-N 1 0 337.467 2.736 10 10 EFCERO COc1ccc(O)c(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC000721861545 725712794 /nfs/dbraw/zinc/71/27/94/725712794.db2.gz MNXXEKOMLYZTKY-IUODEOHRSA-N 1 0 336.432 2.746 10 10 EFCERO C[NH+](C)[C@H](CNC(=O)NCc1c(O)cccc1F)c1cccc(F)c1 ZINC000913890258 725922980 /nfs/dbraw/zinc/92/29/80/725922980.db2.gz PWYLMXBVIMQZLF-MRXNPFEDSA-N 1 0 349.381 2.773 10 10 EFCERO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCc1c(O)cccc1F ZINC000914098855 726039004 /nfs/dbraw/zinc/03/90/04/726039004.db2.gz MELSSFFITGWBMT-CQSZACIVSA-N 1 0 337.439 2.985 10 10 EFCERO CC1CCN(c2ccc(CNC(=O)N[C@@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000731120326 726807547 /nfs/dbraw/zinc/80/75/47/726807547.db2.gz VJTNMMDJNBJTDH-GOSISDBHSA-N 1 0 344.503 2.816 10 10 EFCERO CC[NH+]1CCC(N(C)c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000733186541 727280331 /nfs/dbraw/zinc/28/03/31/727280331.db2.gz ZFIOHYCSOGPCDF-SOFGYWHQSA-N 1 0 347.415 2.702 10 10 EFCERO COc1ccc(N2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCCC3)C2)cc1 ZINC000912292897 727689117 /nfs/dbraw/zinc/68/91/17/727689117.db2.gz PYWDGDDXEFPBFS-INIZCTEOSA-N 1 0 345.487 2.655 10 10 EFCERO CN(C)c1ccc(CNC(=O)C[N@H+](C)CCc2ccc(F)cc2)cc1 ZINC000055023455 727897646 /nfs/dbraw/zinc/89/76/46/727897646.db2.gz FRXXVTKXIQBBNE-UHFFFAOYSA-N 1 0 343.446 2.682 10 10 EFCERO COc1cc(C)cc(C[N@@H+]2CCCN(c3nc(C)ns3)CC2)c1O ZINC000164421833 727947004 /nfs/dbraw/zinc/94/70/04/727947004.db2.gz LEIZBIIKKGFVJG-UHFFFAOYSA-N 1 0 348.472 2.581 10 10 EFCERO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(C)cc2)c1 ZINC000182362978 728102657 /nfs/dbraw/zinc/10/26/57/728102657.db2.gz RZYNZCCAGDTPRL-HUUCEWRRSA-N 1 0 331.412 2.800 10 10 EFCERO CCN(CC)c1ccc(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000171908114 728558592 /nfs/dbraw/zinc/55/85/92/728558592.db2.gz YWCQKASNMAHNRT-MRXNPFEDSA-N 1 0 348.466 2.662 10 10 EFCERO Cc1cc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)c(O)c(C(C)(C)C)c1 ZINC000172959666 728612249 /nfs/dbraw/zinc/61/22/49/728612249.db2.gz RQYNFAMABYAVPZ-KRWDZBQOSA-N 1 0 332.488 2.905 10 10 EFCERO CC(C)(C)n1cc(CN2CC[NH+](Cc3ccccc3O)CC2)cn1 ZINC000179572168 729590345 /nfs/dbraw/zinc/59/03/45/729590345.db2.gz WZWBFIRDULECLF-UHFFFAOYSA-N 1 0 328.460 2.662 10 10 EFCERO Cc1cccc(C[NH+]2CCN(C(=O)NC3CCCCC3)CC2)c1O ZINC000179677469 729607658 /nfs/dbraw/zinc/60/76/58/729607658.db2.gz UARJIDOKXIYHFN-UHFFFAOYSA-N 1 0 331.460 2.861 10 10 EFCERO COc1ccc(C[NH2+]CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C)C2)cc1C ZINC001569994076 1085832168 /nfs/dbraw/zinc/83/21/68/1085832168.db2.gz DDPZDFCPTNYFGQ-QGPMSJSTSA-N 1 0 330.472 2.988 10 10 EFCERO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)c2c[nH]nc2C)cc1C ZINC001571291713 1086701263 /nfs/dbraw/zinc/70/12/63/1086701263.db2.gz FWMXVDVSAFQQNP-CQSZACIVSA-N 1 0 344.459 2.723 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2cnccc2C)cc1C ZINC001571381256 1086773334 /nfs/dbraw/zinc/77/33/34/1086773334.db2.gz FJJVHUKCJYTYKI-MRXNPFEDSA-N 1 0 341.455 2.957 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2ccc(F)cn2)cc1C ZINC001571384941 1086775476 /nfs/dbraw/zinc/77/54/76/1086775476.db2.gz YIPGXEWDLTVZNZ-AWEZNQCLSA-N 1 0 345.418 2.788 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2nccs2)cc1C ZINC001571411111 1086793332 /nfs/dbraw/zinc/79/33/32/1086793332.db2.gz XGUDRQKKDLFSKW-CYBMUJFWSA-N 1 0 333.457 2.710 10 10 EFCERO CCOCCCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H]1C ZINC001571451038 1086813383 /nfs/dbraw/zinc/81/33/83/1086813383.db2.gz NQZZXOXWTJVNBX-FUHWJXTLSA-N 1 0 348.487 2.899 10 10 EFCERO Cc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c(O)c1 ZINC001647081244 1088853685 /nfs/dbraw/zinc/85/36/85/1088853685.db2.gz JPOXCDUDQDFJGU-GOSISDBHSA-N 1 0 341.455 2.799 10 10 EFCERO COC1CCN(c2ccc(C[N@H+]3[C@@H]4CC[C@H]3CCN(C)C4)cc2)CC1 ZINC001648292661 1089972471 /nfs/dbraw/zinc/97/24/71/1089972471.db2.gz CTLCRTVDSSCBHQ-VQTJNVASSA-N 1 0 343.515 2.970 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2cc(C3CC3)no2)cc1C ZINC001266976248 1092225281 /nfs/dbraw/zinc/22/52/81/1092225281.db2.gz UHCYNXULUXBKDB-CYBMUJFWSA-N 1 0 343.427 2.777 10 10 EFCERO COc1nsc(C[NH2+]Cc2ccccc2O)c1Br ZINC000690100150 1093457451 /nfs/dbraw/zinc/45/74/51/1093457451.db2.gz LKCZVTPIQIRDBP-UHFFFAOYSA-N 1 0 329.219 2.910 10 10 EFCERO C[C@@H](NC(=O)[C@H]1CCN(c2cc[nH+]cc2)C1)c1ccc(N(C)C)cc1 ZINC001650952293 1093513239 /nfs/dbraw/zinc/51/32/39/1093513239.db2.gz CDFYPKFDERVPHV-WBVHZDCISA-N 1 0 338.455 2.851 10 10 EFCERO O=C(NCc1cc(O)ccc1O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC001651225804 1093542732 /nfs/dbraw/zinc/54/27/32/1093542732.db2.gz YVLHRGXLRDLRDB-UHFFFAOYSA-N 1 0 325.368 2.632 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)C[C@@H]2CC(C)(C)CO2)cc1C ZINC001267401198 1094473050 /nfs/dbraw/zinc/47/30/50/1094473050.db2.gz HMMGAZMMIURNSW-QGZVFWFLSA-N 1 0 348.487 2.757 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)c2cnoc2C(C)C)cc1C ZINC001267450195 1094547020 /nfs/dbraw/zinc/54/70/20/1094547020.db2.gz NWFCPPASKGTLRB-UHFFFAOYSA-N 1 0 345.443 2.977 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)NCC[C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC001267571253 1095685862 /nfs/dbraw/zinc/68/58/62/1095685862.db2.gz KGWSTFVWQZPZAS-AWEZNQCLSA-N 1 0 343.431 2.701 10 10 EFCERO COCCC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001268180121 1096031297 /nfs/dbraw/zinc/03/12/97/1096031297.db2.gz LTVHKOOCQTYQSF-YJBOKZPZSA-N 1 0 348.487 2.757 10 10 EFCERO COc1ccc(C[NH2+][C@H](CNC(=O)C2CC(OC)C2)C(C)C)cc1C ZINC001268213719 1096113840 /nfs/dbraw/zinc/11/38/40/1096113840.db2.gz RNTVFKJPPGEVHV-DAWZGUTISA-N 1 0 348.487 2.659 10 10 EFCERO COc1ccc(C[NH2+][C@@H](CNC(=O)C2CC(OC)C2)C(C)C)cc1C ZINC001268213718 1096114158 /nfs/dbraw/zinc/11/41/58/1096114158.db2.gz RNTVFKJPPGEVHV-ABHNRTSZSA-N 1 0 348.487 2.659 10 10 EFCERO COc1ccc(C[NH2+][C@@H](CNC(=O)[C@]2(C)CCOC2)C(C)C)cc1C ZINC001268223628 1096126048 /nfs/dbraw/zinc/12/60/48/1096126048.db2.gz XIVZWCYFGJCZIR-FXAWDEMLSA-N 1 0 348.487 2.661 10 10 EFCERO CC[C@H](CNC(=O)c1ccncc1F)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001481796558 1096714127 /nfs/dbraw/zinc/71/41/27/1096714127.db2.gz FIAIEKVXMZFEPF-OAHLLOKOSA-N 1 0 345.418 2.836 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)cc1C ZINC001482091010 1097255585 /nfs/dbraw/zinc/25/55/85/1097255585.db2.gz IHVROPTWTJOPHE-CKNFYHOISA-N 1 0 330.472 2.892 10 10 EFCERO COc1ccc(C(=O)N[C@@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)o1 ZINC001268709296 1097561721 /nfs/dbraw/zinc/56/17/21/1097561721.db2.gz NLDSTJDQPAQKBG-ZDUSSCGKSA-N 1 0 332.400 2.513 10 10 EFCERO COc1ccc(C[NH2+]CCCN(C)C(=O)c2ccn(C)c2)cc1C ZINC001268786184 1097630969 /nfs/dbraw/zinc/63/09/69/1097630969.db2.gz PBNMZSIMEROYBX-UHFFFAOYSA-N 1 0 329.444 2.594 10 10 EFCERO COc1ccc(C[NH2+]CCCN(C)C(=O)C(=O)C(C)(C)C)cc1C ZINC001268784757 1097633707 /nfs/dbraw/zinc/63/37/07/1097633707.db2.gz DAGJMLZWNZKLEX-UHFFFAOYSA-N 1 0 334.460 2.557 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](NC(=O)c2ccccn2)C2CC2)cc1C ZINC001269032202 1097797266 /nfs/dbraw/zinc/79/72/66/1097797266.db2.gz DYKKCUVQSIUWNU-SFHVURJKSA-N 1 0 339.439 2.697 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)c2ccccn2)C2CC2)cc1C ZINC001269032200 1097797577 /nfs/dbraw/zinc/79/75/77/1097797577.db2.gz DYKKCUVQSIUWNU-GOSISDBHSA-N 1 0 339.439 2.697 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C2=COCCC2)cc1C ZINC001482265449 1098699463 /nfs/dbraw/zinc/69/94/63/1098699463.db2.gz OWKFPHYCVXUUAB-OAHLLOKOSA-N 1 0 332.444 2.634 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)/C=C/c2ccc[nH]2)cc1C ZINC001482275113 1098866283 /nfs/dbraw/zinc/86/62/83/1098866283.db2.gz GHEDKHVZGQRIJM-DZZUKKPASA-N 1 0 341.455 2.982 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)/C=C/c2ccc[nH]2)cc1C ZINC001482275118 1098866626 /nfs/dbraw/zinc/86/66/26/1098866626.db2.gz GHEDKHVZGQRIJM-XAVKZTDYSA-N 1 0 341.455 2.982 10 10 EFCERO CCC[C@H](OC)C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267960655 1098919984 /nfs/dbraw/zinc/91/99/84/1098919984.db2.gz LGHPSHYQIWLFFO-MJGOQNOKSA-N 1 0 348.487 2.899 10 10 EFCERO CC[NH+](CC)C[C@@H]1CCN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC001612039833 1099040788 /nfs/dbraw/zinc/04/07/88/1099040788.db2.gz LYILLYAYMQTKJZ-ZDUSSCGKSA-N 1 0 337.420 2.780 10 10 EFCERO COc1cc(N(C)CC[C@@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])cc1OC ZINC001612039974 1099040913 /nfs/dbraw/zinc/04/09/13/1099040913.db2.gz QIRMFWDVYAHKQX-ZDUSSCGKSA-N 1 0 337.420 2.923 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C)n2cccc2)cc1C ZINC001267981754 1099069584 /nfs/dbraw/zinc/06/95/84/1099069584.db2.gz QLDKSVQSRCQLJD-NVXWUHKLSA-N 1 0 343.471 2.908 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@H](C)n2cccc2)cc1C ZINC001267981756 1099070313 /nfs/dbraw/zinc/07/03/13/1099070313.db2.gz QLDKSVQSRCQLJD-RDJZCZTQSA-N 1 0 343.471 2.908 10 10 EFCERO CC[C@@H](Cn1c(C)nnc1N(C)Cc1ccccc1O)[NH+]1CCCC1 ZINC001613614328 1099103463 /nfs/dbraw/zinc/10/34/63/1099103463.db2.gz ZQIQDLCJRNZSOO-KRWDZBQOSA-N 1 0 343.475 2.803 10 10 EFCERO CC1CCN(c2ccc(CNC(=O)CC[N@@H+]3CC[C@H](F)C3)cc2)CC1 ZINC001616695502 1099189563 /nfs/dbraw/zinc/18/95/63/1099189563.db2.gz RDKWDYVVMWMMNY-SFHVURJKSA-N 1 0 347.478 2.973 10 10 EFCERO CCc1n[nH]cc1C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001482303782 1099295891 /nfs/dbraw/zinc/29/58/91/1099295891.db2.gz JQMCHDIDPXEJGH-CQSZACIVSA-N 1 0 344.459 2.539 10 10 EFCERO CCc1cccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC001618641996 1099309308 /nfs/dbraw/zinc/30/93/08/1099309308.db2.gz CYEVMUWCANHGRS-LJQANCHMSA-N 1 0 340.471 2.743 10 10 EFCERO CCc1oncc1C(=O)NC[C@@H](CC)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267820328 1099427204 /nfs/dbraw/zinc/42/72/04/1099427204.db2.gz DRRICXGOWOPXIJ-OAHLLOKOSA-N 1 0 345.443 2.852 10 10 EFCERO CCO[C@H](C)C(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CCCC1 ZINC001270721523 1099491923 /nfs/dbraw/zinc/49/19/23/1099491923.db2.gz YGEZVOSZPWUZBD-MRXNPFEDSA-N 1 0 348.487 2.947 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CC(C)(F)F)cc1C ZINC001482326617 1099579501 /nfs/dbraw/zinc/57/95/01/1099579501.db2.gz FPLPZESASLLNKA-ZDUSSCGKSA-N 1 0 328.403 2.985 10 10 EFCERO CN(C)c1ccc(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC001624401805 1099689166 /nfs/dbraw/zinc/68/91/66/1099689166.db2.gz QSAAVIPEHIBRHN-UXHICEINSA-N 1 0 337.467 2.714 10 10 EFCERO Cc1cc(Br)c(O)c(CN2CC[NH+](C(C)C)CC2)c1 ZINC000781895534 1099694609 /nfs/dbraw/zinc/69/46/09/1099694609.db2.gz BIXZALUKGFIGOW-UHFFFAOYSA-N 1 0 327.266 2.989 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@]2(C)CCCOC2)cc1C ZINC001482346465 1099729554 /nfs/dbraw/zinc/72/95/54/1099729554.db2.gz BISPEICNHISEDH-OXJNMPFZSA-N 1 0 348.487 2.757 10 10 EFCERO C[NH+](C)C1(C(=O)NCc2ccc(N3CCSCC3)cc2)CCCC1 ZINC001624892715 1099744661 /nfs/dbraw/zinc/74/46/61/1099744661.db2.gz OCFJCCVIRYIDGA-UHFFFAOYSA-N 1 0 347.528 2.730 10 10 EFCERO CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000796701637 1099803208 /nfs/dbraw/zinc/80/32/08/1099803208.db2.gz HLVTUGVQCPHHOO-NZSAHSFTSA-N 1 0 329.488 2.913 10 10 EFCERO CC[C@@H](C(=O)N[C@H](C)c1ccc(N(C)C)cc1)N1CCO[C@H](CC)C1 ZINC001625544897 1099823626 /nfs/dbraw/zinc/82/36/26/1099823626.db2.gz ZBNQECGMEGBTQC-LZQZEXGQSA-N 1 0 347.503 2.819 10 10 EFCERO CC1CC[NH+](C[C@@H]2CCCN(C(=O)Cc3ccc(O)c(O)c3)C2)CC1 ZINC001627156885 1099962966 /nfs/dbraw/zinc/96/29/66/1099962966.db2.gz JDJCEEBAMGAYIA-KRWDZBQOSA-N 1 0 346.471 2.611 10 10 EFCERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001627626385 1100017243 /nfs/dbraw/zinc/01/72/43/1100017243.db2.gz CAHGMWGBSJIWGR-OAHLLOKOSA-N 1 0 331.420 2.843 10 10 EFCERO Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c(O)c1O ZINC001628279101 1100084723 /nfs/dbraw/zinc/08/47/23/1100084723.db2.gz YOAFMCAJZHGZCJ-FQEVSTJZSA-N 1 0 340.423 2.801 10 10 EFCERO CC(C)C[NH+]1CCC(C(=O)N2CCOc3cc(N(C)C)ccc32)CC1 ZINC001628727076 1100129661 /nfs/dbraw/zinc/12/96/61/1100129661.db2.gz MHTCUEOFXYBTLM-UHFFFAOYSA-N 1 0 345.487 2.846 10 10 EFCERO CN(C)c1ccc2c(c1)OCCN2C(=O)C1C[NH+](C2CCCCC2)C1 ZINC001629931558 1100260772 /nfs/dbraw/zinc/26/07/72/1100260772.db2.gz MLXQNWGQTWTCLA-UHFFFAOYSA-N 1 0 343.471 2.743 10 10 EFCERO CC(C)C[NH+]1CCC(C(=O)NCc2ccc3cccnc3c2O)CC1 ZINC001630533091 1100315050 /nfs/dbraw/zinc/31/50/50/1100315050.db2.gz VGIIFTDSBHHAOM-UHFFFAOYSA-N 1 0 341.455 2.925 10 10 EFCERO CN(C)c1ccc([C@H](CNC(=O)c2cccc(F)c2N)[NH+](C)C)cc1 ZINC001637004840 1100750418 /nfs/dbraw/zinc/75/04/18/1100750418.db2.gz SOYWYVKJWULDOU-KRWDZBQOSA-N 1 0 344.434 2.507 10 10 EFCERO CN(C)c1ccc([C@H](CNC(=O)N2CCCCCC2)[NH+](C)C)cc1 ZINC001638918197 1100898728 /nfs/dbraw/zinc/89/87/28/1100898728.db2.gz RPYMWWHKZJNJCS-SFHVURJKSA-N 1 0 332.492 2.941 10 10 EFCERO COc1cc([N+](=O)[O-])c(N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1OC ZINC001639489644 1100955574 /nfs/dbraw/zinc/95/55/74/1100955574.db2.gz RWMSHSADSVCOSD-AWEZNQCLSA-N 1 0 349.431 2.924 10 10 EFCERO COC(=O)/C=C\c1ccc(N2CC[N@H+](C)[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC001643074859 1101268592 /nfs/dbraw/zinc/26/85/92/1101268592.db2.gz KGERELIRUMSVJG-BQLWYNFJSA-N 1 0 347.415 2.557 10 10 EFCERO CC1(c2nnc(-c3cccnc3)o2)C[NH+](Cc2cc(F)ccc2O)C1 ZINC000828044557 1101491657 /nfs/dbraw/zinc/49/16/57/1101491657.db2.gz TXUOMYLLADZDAP-UHFFFAOYSA-N 1 0 340.358 2.750 10 10 EFCERO CCN(C#N)CC[N@H+](CC)Cc1cc(Br)ccc1O ZINC001653469402 1101625565 /nfs/dbraw/zinc/62/55/65/1101625565.db2.gz OMDBPJJETSRRFY-UHFFFAOYSA-N 1 0 326.238 2.780 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CC[C@@H](C)OC)C2)cc1C ZINC001266678499 1101855259 /nfs/dbraw/zinc/85/52/59/1101855259.db2.gz FFGGVDCFWQNFOR-OIISXLGYSA-N 1 0 334.460 2.556 10 10 EFCERO COCC(C)(C)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001656144110 1101976149 /nfs/dbraw/zinc/97/61/49/1101976149.db2.gz WDCNXWJBZCIXDQ-CALCHBBNSA-N 1 0 348.487 2.661 10 10 EFCERO O=C(OCc1ccccc1)N1CC([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000397301437 1102127733 /nfs/dbraw/zinc/12/77/33/1102127733.db2.gz GFEIVSCPYVWDFW-UHFFFAOYSA-N 1 0 338.407 2.732 10 10 EFCERO CC[NH2+]CC[C@@H]1CCCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001271615059 1102170491 /nfs/dbraw/zinc/17/04/91/1102170491.db2.gz FLSLEKJGDUTZFD-HNNXBMFYSA-N 1 0 331.420 2.843 10 10 EFCERO CC(C)C[NH+]1CCN(Cc2c(O)cccc2Br)CC1 ZINC000707135496 1102192913 /nfs/dbraw/zinc/19/29/13/1102192913.db2.gz ORODYEFMPGWTHB-UHFFFAOYSA-N 1 0 327.266 2.928 10 10 EFCERO CCC[NH2+]C[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC001271720728 1102313381 /nfs/dbraw/zinc/31/33/81/1102313381.db2.gz FWHUBDXOLYZSIU-OCCSQVGLSA-N 1 0 331.420 2.557 10 10 EFCERO COc1ccc(C[NH2+]C2CC(CNC(=O)C[C@@H]3CCCO3)C2)cc1C ZINC001657173097 1102352428 /nfs/dbraw/zinc/35/24/28/1102352428.db2.gz AOYQHPIGFLNKFU-ABHNRTSZSA-N 1 0 346.471 2.557 10 10 EFCERO CCC[N@H+](CC(=O)N1C[C@H](C)OC(C)(C)C1)Cc1ccccc1O ZINC001657433977 1102382168 /nfs/dbraw/zinc/38/21/68/1102382168.db2.gz CLVFARUMGQCCJJ-HNNXBMFYSA-N 1 0 334.460 2.630 10 10 EFCERO CCOC(=O)CN(CC[NH+]1C[C@H](C)C[C@@H](C)C1)Cc1ccccc1O ZINC001659100848 1102517660 /nfs/dbraw/zinc/51/76/60/1102517660.db2.gz UERBZURFAUVNRM-IAGOWNOFSA-N 1 0 348.487 2.735 10 10 EFCERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1ccccc1O ZINC001659815222 1102568456 /nfs/dbraw/zinc/56/84/56/1102568456.db2.gz BZHKOCJVXABABF-GFCCVEGCSA-N 1 0 329.356 2.898 10 10 EFCERO CC(=O)c1cc(F)cc(C[NH+]2CCC(c3ncccn3)CC2)c1O ZINC001660242286 1102651388 /nfs/dbraw/zinc/65/13/88/1102651388.db2.gz XQCMOIJNWATRSY-UHFFFAOYSA-N 1 0 329.375 2.904 10 10 EFCERO CC(C)[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CC1CC1 ZINC001271942102 1103130749 /nfs/dbraw/zinc/13/07/49/1103130749.db2.gz RQZQTMBZZPRDFD-HNNXBMFYSA-N 1 0 331.420 2.603 10 10 EFCERO C[C@@]1(C2CC[NH+](Cc3cc4c(cc3O)CCC4)CC2)COC(=O)N1 ZINC000905703680 1103512602 /nfs/dbraw/zinc/51/26/02/1103512602.db2.gz DUMABPUIIXSVES-IBGZPJMESA-N 1 0 330.428 2.591 10 10 EFCERO C[C@]1([C@H]2CCC[N@H+](Cc3c(O)ccc4ccncc43)C2)COC(=O)N1 ZINC000905705998 1103518110 /nfs/dbraw/zinc/51/81/10/1103518110.db2.gz DMAIHIMHFMDFSO-IFXJQAMLSA-N 1 0 341.411 2.651 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2cnc(C)s2)cc1C ZINC001662180019 1103614926 /nfs/dbraw/zinc/61/49/26/1103614926.db2.gz NJMWINNBONPCDV-LBPRGKRZSA-N 1 0 333.457 2.677 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H](C)n2cccc2)cc1C ZINC001662195201 1103621433 /nfs/dbraw/zinc/62/14/33/1103621433.db2.gz IQLODWVRBOMRGH-CVEARBPZSA-N 1 0 329.444 2.661 10 10 EFCERO COc1ccc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)cc1C ZINC000078302574 1103657923 /nfs/dbraw/zinc/65/79/23/1103657923.db2.gz YXSZKMXFPNBRJV-FQEVSTJZSA-N 1 0 340.467 2.994 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)cc1C ZINC000078302572 1103658054 /nfs/dbraw/zinc/65/80/54/1103658054.db2.gz YXSZKMXFPNBRJV-HXUWFJFHSA-N 1 0 340.467 2.994 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2ccc(Cl)[nH]2)cc1C ZINC001662328768 1103664991 /nfs/dbraw/zinc/66/49/91/1103664991.db2.gz GMQVDWDNLZVNGU-LBPRGKRZSA-N 1 0 335.835 2.893 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H](OC)C2CCCC2)cc1C ZINC001662400487 1103685129 /nfs/dbraw/zinc/68/51/29/1103685129.db2.gz SCCXROVRLPMLAG-KXBFYZLASA-N 1 0 348.487 2.803 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H](OC)C2CCCC2)cc1C ZINC001662400486 1103685159 /nfs/dbraw/zinc/68/51/59/1103685159.db2.gz SCCXROVRLPMLAG-HNAYVOBHSA-N 1 0 348.487 2.803 10 10 EFCERO CN(C)c1ccc(C[N@H+](C[C@H](O)CCC2(O)CCC2)C2CC2)cc1 ZINC000905913788 1103726969 /nfs/dbraw/zinc/72/69/69/1103726969.db2.gz BTTCJLYMIVLDGG-LJQANCHMSA-N 1 0 332.488 2.773 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)c2scnc2C)cc1C ZINC001493484108 1103935877 /nfs/dbraw/zinc/93/58/77/1103935877.db2.gz AHVCZDJGRAFVSP-UHFFFAOYSA-N 1 0 333.457 2.630 10 10 EFCERO c1ccc(NCCCC[NH2+]Cc2ccc(N3CCOCC3)cc2)nc1 ZINC000078847517 1104012872 /nfs/dbraw/zinc/01/28/72/1104012872.db2.gz SOPDKOKKSDDHDW-UHFFFAOYSA-N 1 0 340.471 2.900 10 10 EFCERO CC[C@H](CNC(=O)c1ccns1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001665799206 1104785205 /nfs/dbraw/zinc/78/52/05/1104785205.db2.gz RJPRBXUOJXCIOF-CQSZACIVSA-N 1 0 333.457 2.758 10 10 EFCERO CCC[NH2+]CC1(NC(=O)c2ccc(N=NC(N)=O)cc2)CCCC1 ZINC001665969210 1104818367 /nfs/dbraw/zinc/81/83/67/1104818367.db2.gz SDGXYVJNOFXRPN-UHFFFAOYSA-N 1 0 331.420 2.891 10 10 EFCERO C[C@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1ccc(Cl)cc1O ZINC000841755574 1104821983 /nfs/dbraw/zinc/82/19/83/1104821983.db2.gz JIQULXQIVCSDKA-WCQYABFASA-N 1 0 346.880 2.510 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)COC(C)(C)C)cc1C ZINC001666886485 1105013456 /nfs/dbraw/zinc/01/34/56/1105013456.db2.gz AUSRQOVXWAIOOY-OAHLLOKOSA-N 1 0 336.476 2.755 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)Cc2ccc[nH]2)cc1C ZINC001667055052 1105043011 /nfs/dbraw/zinc/04/30/11/1105043011.db2.gz XYNNXTGUALJMRW-OAHLLOKOSA-N 1 0 329.444 2.511 10 10 EFCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)c2ocnc2C)cc1C ZINC001482823245 1105054033 /nfs/dbraw/zinc/05/40/33/1105054033.db2.gz YOORRLCPCDOOGF-ZDUSSCGKSA-N 1 0 331.416 2.598 10 10 EFCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)c2[nH]ccc2C)cc1C ZINC001482827835 1105060078 /nfs/dbraw/zinc/06/00/78/1105060078.db2.gz OIBMZDQZWFKWRX-OAHLLOKOSA-N 1 0 329.444 2.938 10 10 EFCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)c2[nH]c(C)nc2C)cc1C ZINC001482875215 1105125076 /nfs/dbraw/zinc/12/50/76/1105125076.db2.gz QACJOXJUFJQVOR-CYBMUJFWSA-N 1 0 344.459 2.642 10 10 EFCERO COc1ccc(C[NH2+][C@H](CNC(=O)[C@@H]2CC2(F)F)C(C)C)cc1C ZINC001667452885 1105149214 /nfs/dbraw/zinc/14/92/14/1105149214.db2.gz OCSNQSMKGOEDMY-LSDHHAIUSA-N 1 0 340.414 2.889 10 10 EFCERO COc1ccc(C[NH2+][C@H](CNC(=O)[C@H]2CC2(F)F)C(C)C)cc1C ZINC001667452884 1105149496 /nfs/dbraw/zinc/14/94/96/1105149496.db2.gz OCSNQSMKGOEDMY-HUUCEWRRSA-N 1 0 340.414 2.889 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)CC(C)(C)O)cc1C ZINC001667722623 1105187921 /nfs/dbraw/zinc/18/79/21/1105187921.db2.gz OHHRRWAJHLXTAM-DLBZAZTESA-N 1 0 348.487 2.539 10 10 EFCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CC2(F)F)cc1C ZINC001668050612 1105227007 /nfs/dbraw/zinc/22/70/07/1105227007.db2.gz XJPQNFZHSWJCRN-GXTWGEPZSA-N 1 0 326.387 2.643 10 10 EFCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)c2cc(Cl)no2)cc1C ZINC001669151906 1105444996 /nfs/dbraw/zinc/44/49/96/1105444996.db2.gz YUPHEYRULURFBY-ONEGZZNKSA-N 1 0 349.818 2.721 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2cncc(C)c2)cc1C ZINC001669528365 1105493349 /nfs/dbraw/zinc/49/33/49/1105493349.db2.gz YDYAJAGONYRHRK-HNNXBMFYSA-N 1 0 327.428 2.615 10 10 EFCERO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000054521257 1105523459 /nfs/dbraw/zinc/52/34/59/1105523459.db2.gz AQNGRZGVXZJBNV-QGZVFWFLSA-N 1 0 328.456 2.619 10 10 EFCERO CC(C)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001672246816 1105785194 /nfs/dbraw/zinc/78/51/94/1105785194.db2.gz OBMXGGCGBWMRJV-DZGCQCFKSA-N 1 0 345.447 2.945 10 10 EFCERO C[C@@H]1CC[C@H](CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001672371710 1105815418 /nfs/dbraw/zinc/81/54/18/1105815418.db2.gz YJWMIDYFDBOYCU-AEFFLSMTSA-N 1 0 344.503 2.674 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)N2CC[C@@H](CC[NH2+]CCCF)C2)cc1 ZINC001672915395 1105937210 /nfs/dbraw/zinc/93/72/10/1105937210.db2.gz HKSUJCNOHLVGNN-CYBMUJFWSA-N 1 0 349.410 2.650 10 10 EFCERO COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000841963760 1106057988 /nfs/dbraw/zinc/05/79/88/1106057988.db2.gz WJQPITQCTXKHCG-STQMWFEESA-N 1 0 343.427 2.981 10 10 EFCERO CC(C)=CC[NH2+][C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC001673933510 1106105642 /nfs/dbraw/zinc/10/56/42/1106105642.db2.gz LGMPXWWZHMKELU-CJNGLKHVSA-N 1 0 343.431 2.865 10 10 EFCERO COC[C@@H](C)C(=O)N1CCC(C)([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001673947120 1106108496 /nfs/dbraw/zinc/10/84/96/1106108496.db2.gz XXGRFFWBOGXOFV-MRXNPFEDSA-N 1 0 348.487 2.757 10 10 EFCERO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cc4cc(O)c(O)cc4s3)C2)C1 ZINC000897851710 1106118906 /nfs/dbraw/zinc/11/89/06/1106118906.db2.gz DMZALXJKQXJTNJ-SFHVURJKSA-N 1 0 346.452 2.870 10 10 EFCERO C[C@@H](NC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1)[C@H](C)[NH3+] ZINC000842008127 1106160155 /nfs/dbraw/zinc/16/01/55/1106160155.db2.gz VUGXNKCUXGMZDG-LSDHHAIUSA-N 1 0 344.459 2.793 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)Cc2cscn2)cc1C ZINC001674735356 1106248007 /nfs/dbraw/zinc/24/80/07/1106248007.db2.gz PKPMETFGOCXNMP-KGLIPLIRSA-N 1 0 347.484 2.686 10 10 EFCERO C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@H](C)[NH2+]CC1CCC1 ZINC001674780346 1106255558 /nfs/dbraw/zinc/25/55/58/1106255558.db2.gz LNNAPSCDOUKHDL-NWDGAFQWSA-N 1 0 331.420 2.746 10 10 EFCERO CCCCC(=O)N1CCO[C@@H]([C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001675568662 1106386945 /nfs/dbraw/zinc/38/69/45/1106386945.db2.gz BNUBAPODNSFNOG-QFBILLFUSA-N 1 0 348.487 2.899 10 10 EFCERO CCCCC(=O)N1CCO[C@H]([C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001675568661 1106387164 /nfs/dbraw/zinc/38/71/64/1106387164.db2.gz BNUBAPODNSFNOG-LPHOPBHVSA-N 1 0 348.487 2.899 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H](C)CSC)cc1C ZINC001676318307 1106514473 /nfs/dbraw/zinc/51/44/73/1106514473.db2.gz KRRAJCSHNWUNCE-CABCVRRESA-N 1 0 338.517 2.939 10 10 EFCERO C[C@@H]([NH2+]Cc1cccc(N(C)C)n1)c1ccc(N2CCOCC2)cc1 ZINC000090850747 1106516066 /nfs/dbraw/zinc/51/60/66/1106516066.db2.gz STXLQEDTQNOZIL-MRXNPFEDSA-N 1 0 340.471 2.835 10 10 EFCERO CCCOCC(=O)N1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@@H]1C ZINC001676710049 1106563397 /nfs/dbraw/zinc/56/33/97/1106563397.db2.gz UAHAYIIPMROCKV-RDJZCZTQSA-N 1 0 334.460 2.509 10 10 EFCERO CCCC[NH2+]C1CC(N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001677448356 1106718480 /nfs/dbraw/zinc/71/84/80/1106718480.db2.gz GCQPZNGNUFHVDG-UHFFFAOYSA-N 1 0 331.420 2.842 10 10 EFCERO C[C@@H](NC(=O)NCC[N@@H+]1CCC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC001680280790 1107834996 /nfs/dbraw/zinc/83/49/96/1107834996.db2.gz QJIUFEQFMABYPI-OAHLLOKOSA-N 1 0 332.492 2.845 10 10 EFCERO CC(C)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001272342359 1107980975 /nfs/dbraw/zinc/98/09/75/1107980975.db2.gz GQGJNDFOMKKALR-HOCLYGCPSA-N 1 0 345.447 2.993 10 10 EFCERO C[C@@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1cc(Br)ccc1O ZINC000926949374 1108235015 /nfs/dbraw/zinc/23/50/15/1108235015.db2.gz PHTIVOONNYMWHY-FCIGDQIPSA-N 1 0 342.233 2.609 10 10 EFCERO C[C@@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1cc(Br)ccc1O ZINC000926949378 1108235697 /nfs/dbraw/zinc/23/56/97/1108235697.db2.gz PHTIVOONNYMWHY-NOBRSGAKSA-N 1 0 342.233 2.609 10 10 EFCERO CCO[C@@H](C[NH2+][C@@H](C)c1ccc(Br)cc1O)CN(C)C ZINC000926957413 1108266456 /nfs/dbraw/zinc/26/64/56/1108266456.db2.gz BHSAHTGCRIDXNY-AAEUAGOBSA-N 1 0 345.281 2.772 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@H]3[C@@H]4CCC[C@@H]43)CC2)cc1C ZINC001483724972 1108341185 /nfs/dbraw/zinc/34/11/85/1108341185.db2.gz MZEBPGRVPQIZRP-VQFNDLOPSA-N 1 0 328.456 2.788 10 10 EFCERO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C(C)(C)CO ZINC000924718651 1108851717 /nfs/dbraw/zinc/85/17/17/1108851717.db2.gz ZQXYQKZKHDZUOO-RBSFLKMASA-N 1 0 338.467 2.936 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2ncoc2C2CC2)cc1C ZINC001483181624 1109965108 /nfs/dbraw/zinc/96/51/08/1109965108.db2.gz CCIRXXLAXSDZTB-CYBMUJFWSA-N 1 0 343.427 2.777 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2nc(C)c(C)s2)cc1C ZINC001483196708 1110001349 /nfs/dbraw/zinc/00/13/49/1110001349.db2.gz OBKHJZTUUFMCNU-GFCCVEGCSA-N 1 0 347.484 2.985 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)C[C@H](C)OC)cc1C ZINC001483923486 1112562431 /nfs/dbraw/zinc/56/24/31/1112562431.db2.gz ZZNUSLPAAUDBGO-RDJZCZTQSA-N 1 0 334.460 2.509 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)C[C@H](C)OC)CCC2)cc1C ZINC001484625952 1113076085 /nfs/dbraw/zinc/07/60/85/1113076085.db2.gz DQJJDWSAZDOYDR-HNNXBMFYSA-N 1 0 334.460 2.557 10 10 EFCERO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H](OC)C(C)C)C2)cc1C ZINC001485695245 1118534158 /nfs/dbraw/zinc/53/41/58/1118534158.db2.gz IGIMWRVITZMFTF-LNLFQRSKSA-N 1 0 348.487 2.659 10 10 EFCERO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)c2cnc(C)[nH]2)cc1C ZINC001485715314 1118537819 /nfs/dbraw/zinc/53/78/19/1118537819.db2.gz XEHMJNGVRIPHNF-AWEZNQCLSA-N 1 0 344.459 2.723 10 10 EFCERO O=C(c1ccco1)N1CCC([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000054174047 214221848 /nfs/dbraw/zinc/22/18/48/214221848.db2.gz GHEBEWFEEPWQTN-UHFFFAOYSA-N 1 0 326.396 2.609 10 10 EFCERO C[C@H]1C[C@H](N(C)C(=O)NCc2ccc(N(C)C)c(F)c2)CC[N@@H+]1C ZINC000174443544 239231594 /nfs/dbraw/zinc/23/15/94/239231594.db2.gz PPGFSECGHMJZKY-DZGCQCFKSA-N 1 0 336.455 2.516 10 10 EFCERO COc1ccc(O)c(C[NH2+]C2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000182124203 239532151 /nfs/dbraw/zinc/53/21/51/239532151.db2.gz NBKCVDJXGPYTNP-UHFFFAOYSA-N 1 0 340.423 2.795 10 10 EFCERO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCN(c3ncccn3)C2)c1 ZINC000192813688 240065500 /nfs/dbraw/zinc/06/55/00/240065500.db2.gz WBOUHHPNBWUHLY-KGLIPLIRSA-N 1 0 328.416 2.510 10 10 EFCERO C[C@@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1ccc(N(C)C)cc1 ZINC000193009956 240078258 /nfs/dbraw/zinc/07/82/58/240078258.db2.gz RQQYYGIWALONNB-NVXWUHKLSA-N 1 0 325.460 2.862 10 10 EFCERO C[C@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1ccc(N(C)C)cc1 ZINC000193009968 240078602 /nfs/dbraw/zinc/07/86/02/240078602.db2.gz RQQYYGIWALONNB-RDJZCZTQSA-N 1 0 325.460 2.862 10 10 EFCERO C[N@@H+]1CC[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1c1ccccc1 ZINC000245767606 240261346 /nfs/dbraw/zinc/26/13/46/240261346.db2.gz WPAOROAGLAPMMS-IQAMCKQTSA-N 1 0 338.407 2.673 10 10 EFCERO COc1cc(Cl)cc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c1O ZINC000248852335 240295998 /nfs/dbraw/zinc/29/59/98/240295998.db2.gz BIYCNVYVYRWWBE-TZMCWYRMSA-N 1 0 329.849 2.761 10 10 EFCERO COCCn1c(C)c(C)c2cc(C(=O)NCCCC[NH+](C)C)ccc21 ZINC000264027554 240396634 /nfs/dbraw/zinc/39/66/34/240396634.db2.gz LOAXICWJRKJIQF-UHFFFAOYSA-N 1 0 345.487 2.976 10 10 EFCERO O=C1[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)CCN1Cc1ccc(F)cc1 ZINC000296270273 241080807 /nfs/dbraw/zinc/08/08/07/241080807.db2.gz CCROCXAULCWWJY-IAGOWNOFSA-N 1 0 340.398 2.909 10 10 EFCERO Cc1cc(N2CCC[C@@H]([NH2+][C@@H]3CCc4cccc(O)c43)C2)n(C)n1 ZINC000296582546 241090310 /nfs/dbraw/zinc/09/03/10/241090310.db2.gz WBTHSLOJXWGHJI-HZPDHXFCSA-N 1 0 326.444 2.680 10 10 EFCERO COCCC[NH+]1CCC([NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000294377569 241043861 /nfs/dbraw/zinc/04/38/61/241043861.db2.gz UQQGINHZYXELDP-UHFFFAOYSA-N 1 0 330.831 2.775 10 10 EFCERO Cc1nsc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC000301944450 241190666 /nfs/dbraw/zinc/19/06/66/241190666.db2.gz YZDDKNAZZZPEBE-UHFFFAOYSA-N 1 0 343.500 2.991 10 10 EFCERO CC[NH+]1CCN(c2ccc(CNC(=O)N3C[C@@H](C)[C@H]3C)cc2F)CC1 ZINC000297545533 241125875 /nfs/dbraw/zinc/12/58/75/241125875.db2.gz FICMASRHHOXDQW-HUUCEWRRSA-N 1 0 348.466 2.517 10 10 EFCERO CN(C)c1ccc2c(c1)OCCN2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000358547808 242123058 /nfs/dbraw/zinc/12/30/58/242123058.db2.gz NMDQKEWYOITOES-UHFFFAOYSA-N 1 0 345.487 2.990 10 10 EFCERO CN(C)c1ccc(CN2CCCC[C@@H]2CCS(C)(=O)=O)cc1F ZINC000366536017 242356776 /nfs/dbraw/zinc/35/67/76/242356776.db2.gz QAALBIDQQNBPEX-OAHLLOKOSA-N 1 0 342.480 2.681 10 10 EFCERO CN(C)c1ccc(CN2CCCC[C@H]2CCS(C)(=O)=O)cc1F ZINC000366536014 242357266 /nfs/dbraw/zinc/35/72/66/242357266.db2.gz QAALBIDQQNBPEX-HNNXBMFYSA-N 1 0 342.480 2.681 10 10 EFCERO C[C@@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000367998577 242397972 /nfs/dbraw/zinc/39/79/72/242397972.db2.gz UJUJOWKPJZPTBA-HIFRSBDPSA-N 1 0 344.434 2.594 10 10 EFCERO C[C@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000367998580 242399061 /nfs/dbraw/zinc/39/90/61/242399061.db2.gz UJUJOWKPJZPTBA-ZFWWWQNUSA-N 1 0 344.434 2.594 10 10 EFCERO O=C1N=C(N2CC[NH2+]CC2)S/C1=C/c1ccc(Cl)cc1Cl ZINC000020413013 212127249 /nfs/dbraw/zinc/12/72/49/212127249.db2.gz GAJQRNQNXCITNC-KPKJPENVSA-N 1 0 342.251 2.869 10 10 EFCERO CC[C@@H]([NH2+]CCN1CCOCC1)c1cc(Br)ccc1O ZINC000019954523 212089787 /nfs/dbraw/zinc/08/97/87/212089787.db2.gz JSVDLRKQSWCJNW-CQSZACIVSA-N 1 0 343.265 2.528 10 10 EFCERO CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000089948979 217894172 /nfs/dbraw/zinc/89/41/72/217894172.db2.gz UJEHGOYVNYSYEJ-CRAIPNDOSA-N 1 0 328.456 2.748 10 10 EFCERO C[NH2+]C[C@H]1CCN(C(=O)c2cc(C)n(-c3cccc(F)c3)c2C)C1 ZINC000299738802 258011217 /nfs/dbraw/zinc/01/12/17/258011217.db2.gz GRAWLHXSRUXGIU-OAHLLOKOSA-N 1 0 329.419 2.915 10 10 EFCERO C[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1ccc(N(C)C)cc1 ZINC000166503524 533541639 /nfs/dbraw/zinc/54/16/39/533541639.db2.gz AIFMUGNWGSRHBB-WBVHZDCISA-N 1 0 327.476 2.806 10 10 EFCERO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]Cc3cccc(F)c3)cc2)C1 ZINC000054178970 132190296 /nfs/dbraw/zinc/19/02/96/132190296.db2.gz IZMFPSYAYKLFDM-KRWDZBQOSA-N 1 0 341.430 2.817 10 10 EFCERO CC(C)n1ncc2c1C[C@H]([NH2+]Cc1cc3c(cc1O)OCO3)CC2 ZINC000365138846 273576832 /nfs/dbraw/zinc/57/68/32/273576832.db2.gz PVLOVZOUNIKBOJ-CQSZACIVSA-N 1 0 329.400 2.545 10 10 EFCERO C[C@@H](Cn1cncn1)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279871022 274233512 /nfs/dbraw/zinc/23/35/12/274233512.db2.gz JOORONXLRCASRG-NSHDSACASA-N 1 0 327.354 2.541 10 10 EFCERO CC[NH+](CC)[C@H](C)CNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000068079945 276117718 /nfs/dbraw/zinc/11/77/18/276117718.db2.gz QIUSEVHMLGQSLJ-OAHLLOKOSA-N 1 0 328.460 2.949 10 10 EFCERO C[C@@H]([NH2+]CC1(C)OCCCO1)c1ccc(Br)cc1O ZINC000190644491 473344383 /nfs/dbraw/zinc/34/43/83/473344383.db2.gz XAZKXMPPHAFTNC-SNVBAGLBSA-N 1 0 330.222 2.958 10 10 EFCERO Cc1ccc([C@H](C)[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)c(O)c1 ZINC000185267899 473381979 /nfs/dbraw/zinc/38/19/79/473381979.db2.gz SJNHOIOIEXHWRA-AWEZNQCLSA-N 1 0 345.418 2.922 10 10 EFCERO CC[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1cc(Br)ccc1O ZINC000084060855 473385504 /nfs/dbraw/zinc/38/55/04/473385504.db2.gz SZOJEDCUXMRFDO-WCQYABFASA-N 1 0 341.249 2.816 10 10 EFCERO COc1ccc(CC[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000005701573 471517077 /nfs/dbraw/zinc/51/70/77/471517077.db2.gz DGBZZOWWHKRWTL-UHFFFAOYSA-N 1 0 326.440 2.864 10 10 EFCERO COc1ccc2ccc(O)c(C[N@H+](C)CC(=O)NC(C)(C)C)c2c1 ZINC000008148080 471666819 /nfs/dbraw/zinc/66/68/19/471666819.db2.gz HSYGBRFUZKEWIH-UHFFFAOYSA-N 1 0 330.428 2.901 10 10 EFCERO COC(=O)c1cc2ccccc2c(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1O ZINC000014185869 471858552 /nfs/dbraw/zinc/85/85/52/471858552.db2.gz BVFMMYDWYOTABL-STQMWFEESA-N 1 0 329.396 2.941 10 10 EFCERO COc1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000085772024 472266385 /nfs/dbraw/zinc/26/63/85/472266385.db2.gz OZELPLGPAQQMTD-UHFFFAOYSA-N 1 0 327.428 2.559 10 10 EFCERO CS[C@H](C)CC(=O)N[C@@H](C)c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000097021857 472410843 /nfs/dbraw/zinc/41/08/43/472410843.db2.gz MJKUIZKJTOBVQP-CABCVRRESA-N 1 0 335.517 2.757 10 10 EFCERO COc1ccc(O)c(C[NH2+][C@@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)c1 ZINC000089726378 472493709 /nfs/dbraw/zinc/49/37/09/472493709.db2.gz FVPSBGJJEZEFQJ-RDTXWAMCSA-N 1 0 340.423 2.680 10 10 EFCERO Fc1cc(C[NH2+]C[C@@H]2CCCn3ccnc32)ccc1N1CCOCC1 ZINC000089768333 472503241 /nfs/dbraw/zinc/50/32/41/472503241.db2.gz UAGNGOJOGCNOGG-INIZCTEOSA-N 1 0 344.434 2.526 10 10 EFCERO Cc1cc(O)c(C[NH+]2CCC(C(=O)Nc3cnccn3)CC2)cc1C ZINC000058168865 472510963 /nfs/dbraw/zinc/51/09/63/472510963.db2.gz GEZJPOTUUMYSFE-UHFFFAOYSA-N 1 0 340.427 2.650 10 10 EFCERO CCOc1cccc(C[NH+]2CCC(Nc3cccnn3)CC2)c1O ZINC000120296808 472663610 /nfs/dbraw/zinc/66/36/10/472663610.db2.gz HPCGKJMABCJFNR-UHFFFAOYSA-N 1 0 328.416 2.657 10 10 EFCERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000120307346 472666030 /nfs/dbraw/zinc/66/60/30/472666030.db2.gz ZIJNMAMUZYJPOA-QAPCUYQASA-N 1 0 332.492 2.624 10 10 EFCERO c1cc(N2CCCCC2)ccc1C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000120966817 472775914 /nfs/dbraw/zinc/77/59/14/472775914.db2.gz ZURBFAUXILUXCZ-HXUWFJFHSA-N 1 0 329.488 2.583 10 10 EFCERO CN(C)c1ccc(CN(C)C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)cc1 ZINC000106427789 472850784 /nfs/dbraw/zinc/85/07/84/472850784.db2.gz LRXCWWAPYYFVCK-HXUWFJFHSA-N 1 0 339.483 2.884 10 10 EFCERO CCCOc1ccc(C[N@@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)c(O)c1 ZINC000092096870 472858425 /nfs/dbraw/zinc/85/84/25/472858425.db2.gz CLEUHROEVKLETG-HHXXYDBFSA-N 1 0 335.444 2.949 10 10 EFCERO CC(C)[N@H+]1C[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)[C@@H](C)C1 ZINC000121503984 472862966 /nfs/dbraw/zinc/86/29/66/472862966.db2.gz CTDMEIYDTVOMDV-LPHOPBHVSA-N 1 0 342.487 2.591 10 10 EFCERO COc1ccc(N2CCC[N@H+](Cc3nc(C)ccc3O)CC2)cc1 ZINC000092380657 472904223 /nfs/dbraw/zinc/90/42/23/472904223.db2.gz BIPFPKXNNBNKOO-UHFFFAOYSA-N 1 0 327.428 2.817 10 10 EFCERO Fc1cc(C[NH2+]Cc2cccc3c2OCO3)ccc1N1CCOCC1 ZINC000048748797 472907040 /nfs/dbraw/zinc/90/70/40/472907040.db2.gz LJDOEYKUHTUYPL-UHFFFAOYSA-N 1 0 344.386 2.681 10 10 EFCERO CCOc1ccc(O)c(C[NH+]2CCC(Cc3nccn3C)CC2)c1 ZINC000121799236 472916769 /nfs/dbraw/zinc/91/67/69/472916769.db2.gz UUVQCYXTOHDGHP-UHFFFAOYSA-N 1 0 329.444 2.979 10 10 EFCERO CC(C)(C)c1n[nH]cc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000065539187 472970939 /nfs/dbraw/zinc/97/09/39/472970939.db2.gz KTCWLBDWOXEJII-UHFFFAOYSA-N 1 0 328.460 2.834 10 10 EFCERO CC1CCN(c2ccc(CNC(=O)N3CC[C@@H]([NH+](C)C)C3)cc2)CC1 ZINC000108583993 473042843 /nfs/dbraw/zinc/04/28/43/473042843.db2.gz FLPBDKHCSOEZTK-LJQANCHMSA-N 1 0 344.503 2.768 10 10 EFCERO Cc1cnn(CC[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000123843085 473191637 /nfs/dbraw/zinc/19/16/37/473191637.db2.gz ZDNOVBGXBQEBEA-HNNXBMFYSA-N 1 0 332.423 2.518 10 10 EFCERO C[C@@H]([NH2+]CCCN1CCOC1=O)c1cc(Br)ccc1O ZINC000185332442 473396343 /nfs/dbraw/zinc/39/63/43/473396343.db2.gz GGBKBHYKEBQVCH-SNVBAGLBSA-N 1 0 343.221 2.648 10 10 EFCERO Cc1noc(CC[NH2+][C@H](C)c2ccc(Br)cc2O)n1 ZINC000185972660 473562333 /nfs/dbraw/zinc/56/23/33/473562333.db2.gz YQKDWQBVPKGNQH-MRVPVSSYSA-N 1 0 326.194 2.739 10 10 EFCERO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2C[C@H](O)CN2Cc2ccccc2)c1 ZINC000186193763 473612959 /nfs/dbraw/zinc/61/29/59/473612959.db2.gz MHVASJVFODTJRV-UHOSZYNNSA-N 1 0 340.467 2.987 10 10 EFCERO Cc1ccc(O)c(C[NH+]2CCN(C[C@@H](O)c3ccccc3)CC2)c1 ZINC000179504804 473691623 /nfs/dbraw/zinc/69/16/23/473691623.db2.gz UUROGDWZZGDOCP-HXUWFJFHSA-N 1 0 326.440 2.552 10 10 EFCERO Cc1ccc(O)c(C[NH+]2CCN(C[C@H](O)c3ccccc3)CC2)c1 ZINC000179504740 473691730 /nfs/dbraw/zinc/69/17/30/473691730.db2.gz UUROGDWZZGDOCP-FQEVSTJZSA-N 1 0 326.440 2.552 10 10 EFCERO CCOc1ccc(O)c(C[NH2+][C@@]2(CO)CCOc3ccccc32)c1 ZINC000281513952 473747915 /nfs/dbraw/zinc/74/79/15/473747915.db2.gz AGQXDPOUOVVLLH-LJQANCHMSA-N 1 0 329.396 2.551 10 10 EFCERO Cc1cc(NC(=O)C2CC[NH+](Cc3cc(F)ccc3O)CC2)no1 ZINC000179896982 473751243 /nfs/dbraw/zinc/75/12/43/473751243.db2.gz WXQWHEJFLMIRQJ-UHFFFAOYSA-N 1 0 333.363 2.678 10 10 EFCERO CCCn1cc(CN2CCC[N@H+](Cc3cc(F)ccc3O)CC2)cn1 ZINC000180112094 473801665 /nfs/dbraw/zinc/80/16/65/473801665.db2.gz CSABDZRAIUUDEL-UHFFFAOYSA-N 1 0 346.450 2.846 10 10 EFCERO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(N2CCCCC2)cc1 ZINC000180592151 473913589 /nfs/dbraw/zinc/91/35/89/473913589.db2.gz FYQLHDFPNGTLTO-NVXWUHKLSA-N 1 0 325.460 2.934 10 10 EFCERO CCCN(CCC)c1ccc(C[N@@H+]2CCc3n[nH]c(=O)cc3C2)cc1 ZINC000274959873 474024129 /nfs/dbraw/zinc/02/41/29/474024129.db2.gz UJCWPFJLHNYAMG-UHFFFAOYSA-N 1 0 340.471 2.955 10 10 EFCERO C[N@@H+]1CC[C@@H](NC(=O)NCc2ccccc2O)[C@@H]1c1ccccc1 ZINC000270254840 474047835 /nfs/dbraw/zinc/04/78/35/474047835.db2.gz BQNMYGCBOMJSPP-AEFFLSMTSA-N 1 0 325.412 2.637 10 10 EFCERO C[N@@H+]1CC[C@H](NC(=O)NCc2ccccc2O)[C@H]1c1ccccc1 ZINC000270254843 474048153 /nfs/dbraw/zinc/04/81/53/474048153.db2.gz BQNMYGCBOMJSPP-FUHWJXTLSA-N 1 0 325.412 2.637 10 10 EFCERO CC[C@H]([NH2+][C@H]1CCCN(c2ccnn2CC)C1=O)c1ccccc1O ZINC000188547370 474125041 /nfs/dbraw/zinc/12/50/41/474125041.db2.gz CPEFQDNVKWSPQQ-HOTGVXAUSA-N 1 0 342.443 2.845 10 10 EFCERO CN(C)c1ccc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)cc1F ZINC000282616326 474131753 /nfs/dbraw/zinc/13/17/53/474131753.db2.gz FDWYMYOCEPBRMJ-QAPCUYQASA-N 1 0 336.451 2.549 10 10 EFCERO COC[C@@](C)(CCO)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000183159317 474340264 /nfs/dbraw/zinc/34/02/64/474340264.db2.gz CNPKXJFKAIARAC-HXUWFJFHSA-N 1 0 345.439 2.848 10 10 EFCERO C[C@H]([NH2+]C[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1ccccc1O ZINC000183631921 474402358 /nfs/dbraw/zinc/40/23/58/474402358.db2.gz AXSHFHJWRGMSMM-SZMVWBNQSA-N 1 0 326.440 2.678 10 10 EFCERO CCOc1ccc(O)c(C[NH+]2CCN(Cc3cccnc3)CC2)c1 ZINC000183666807 474408364 /nfs/dbraw/zinc/40/83/64/474408364.db2.gz ARZMITDEXNIKSN-UHFFFAOYSA-N 1 0 327.428 2.504 10 10 EFCERO Cn1ccnc1C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000266145918 474420285 /nfs/dbraw/zinc/42/02/85/474420285.db2.gz IWFFIOAUVKTMMX-ZDUSSCGKSA-N 1 0 336.386 2.780 10 10 EFCERO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)c1 ZINC000283504585 474422430 /nfs/dbraw/zinc/42/24/30/474422430.db2.gz ZAWGEILAFDTFSH-PMUMKWKESA-N 1 0 335.444 2.619 10 10 EFCERO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1c(F)ccc(O)c1O ZINC000276537694 474565633 /nfs/dbraw/zinc/56/56/33/474565633.db2.gz IOLIKGDFYLXRIV-UHFFFAOYSA-N 1 0 344.386 2.763 10 10 EFCERO Cc1cc(N2CCC[C@H]([NH2+]Cc3ccc(N(C)C)cc3)C2)n(C)n1 ZINC000277706415 474594260 /nfs/dbraw/zinc/59/42/60/474594260.db2.gz MBVPWJBTETXEAB-KRWDZBQOSA-N 1 0 327.476 2.553 10 10 EFCERO CCOc1ccc(O)c(C[NH2+][C@@H]2CCCN(c3cc(C)nn3C)C2)c1 ZINC000277737129 474594376 /nfs/dbraw/zinc/59/43/76/474594376.db2.gz PHPMOOXIXIWEJZ-MRXNPFEDSA-N 1 0 344.459 2.591 10 10 EFCERO CC(=O)N1CCN(Cc2cc(Br)cc(C)c2O)[C@@H](C)C1 ZINC000271827006 474595661 /nfs/dbraw/zinc/59/56/61/474595661.db2.gz OBYNDNABBZQZCH-NSHDSACASA-N 1 0 341.249 2.516 10 10 EFCERO Cc1cc(N2CCC[C@H]([NH2+]Cc3cc(C)c(C)cc3O)C2)n(C)n1 ZINC000277813573 474596872 /nfs/dbraw/zinc/59/68/72/474596872.db2.gz ZCQWHEFUGQXMLX-KRWDZBQOSA-N 1 0 328.460 2.810 10 10 EFCERO Cc1nc(F)ccc1C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000278292952 474606436 /nfs/dbraw/zinc/60/64/36/474606436.db2.gz BNEAEOPVJXVFAB-UHFFFAOYSA-N 1 0 347.409 2.919 10 10 EFCERO Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(O)c1O ZINC000272707545 474623671 /nfs/dbraw/zinc/62/36/71/474623671.db2.gz CTTSYIIDJRZBHV-INIZCTEOSA-N 1 0 340.423 2.753 10 10 EFCERO COc1ccccc1[C@H](O)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273374886 474866551 /nfs/dbraw/zinc/86/65/51/474866551.db2.gz HAWKAINKXPEAMZ-BDJLRTHQSA-N 1 0 332.356 2.693 10 10 EFCERO CC[C@@H]1CCN1C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000292209171 474904031 /nfs/dbraw/zinc/90/40/31/474904031.db2.gz HFSKCLKSHVHZEH-MRXNPFEDSA-N 1 0 348.466 2.662 10 10 EFCERO CCn1nccc1[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000328656730 475052141 /nfs/dbraw/zinc/05/21/41/475052141.db2.gz ZPSLVVOQNMDVNV-QFBILLFUSA-N 1 0 327.428 2.705 10 10 EFCERO CCCN(CCC)c1ccc(C[NH2+]CCN2CCC(O)CC2)cc1 ZINC000294904432 475090124 /nfs/dbraw/zinc/09/01/24/475090124.db2.gz RWNWFBOFLYDUED-UHFFFAOYSA-N 1 0 333.520 2.859 10 10 EFCERO C[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@H]1CCN2CCO[C@H]1C2 ZINC000295172196 475109112 /nfs/dbraw/zinc/10/91/12/475109112.db2.gz UMQRKODYLRPFGT-PMACEKPBSA-N 1 0 329.488 2.582 10 10 EFCERO c1cc([C@@H]2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)ncn1 ZINC000362622665 476330953 /nfs/dbraw/zinc/33/09/53/476330953.db2.gz OMYXVNCPKFJQBZ-GOSISDBHSA-N 1 0 338.455 2.693 10 10 EFCERO COc1cccc(C[NH2+][C@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)c1O ZINC000374266292 476465750 /nfs/dbraw/zinc/46/57/50/476465750.db2.gz VFASSMAORNOJCN-PBHICJAKSA-N 1 0 340.423 2.680 10 10 EFCERO O=C(c1cc(Cl)c[nH]1)N1CCC([NH2+]Cc2ccccc2O)CC1 ZINC000370576425 476880007 /nfs/dbraw/zinc/88/00/07/476880007.db2.gz SDFVELAPNVSOQW-UHFFFAOYSA-N 1 0 333.819 2.768 10 10 EFCERO CCN(CC)c1ccc(C[N@@H+]2CCc3nn(CC)c(=O)cc3C2)cc1 ZINC000371311616 477233267 /nfs/dbraw/zinc/23/32/67/477233267.db2.gz XYLWWFPVTGZHOE-UHFFFAOYSA-N 1 0 340.471 2.668 10 10 EFCERO COc1cc(O)c(C[NH+]2CCC(c3nccc(C)n3)CC2)cc1OC ZINC000371887245 477542730 /nfs/dbraw/zinc/54/27/30/477542730.db2.gz DXHABTLKJPBWSG-UHFFFAOYSA-N 1 0 343.427 2.887 10 10 EFCERO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1cccc(O)c1O ZINC000377046396 477616538 /nfs/dbraw/zinc/61/65/38/477616538.db2.gz LZSAUUSGBCQSLS-HNNXBMFYSA-N 1 0 340.423 2.834 10 10 EFCERO COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CCC[N@H+](C)C3)ccc21 ZINC000590808754 478350613 /nfs/dbraw/zinc/35/06/13/478350613.db2.gz VAXLUKBQSLTEIX-KRWDZBQOSA-N 1 0 343.471 2.729 10 10 EFCERO COCCn1c(C)c(C)c2cc(C(=O)N(C)CCC[NH+](C)C)ccc21 ZINC000539416562 478415456 /nfs/dbraw/zinc/41/54/56/478415456.db2.gz SIWFELXYOUTYPD-UHFFFAOYSA-N 1 0 345.487 2.928 10 10 EFCERO CCOc1ccc(C[NH2+]C[C@H](n2cccn2)C(F)(F)F)c(O)c1 ZINC000527741567 478499773 /nfs/dbraw/zinc/49/97/73/478499773.db2.gz FIJQSOSXLAYZBF-AWEZNQCLSA-N 1 0 329.322 2.881 10 10 EFCERO CCOc1ccc(O)c(C[NH2+]C[C@H](n2cccn2)C(F)(F)F)c1 ZINC000527741858 478499958 /nfs/dbraw/zinc/49/99/58/478499958.db2.gz IRDJQRRGCHZIFT-AWEZNQCLSA-N 1 0 329.322 2.881 10 10 EFCERO COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000528286130 478708075 /nfs/dbraw/zinc/70/80/75/478708075.db2.gz FPUBTWNLOOHMIE-ZFWWWQNUSA-N 1 0 347.459 2.778 10 10 EFCERO COc1cc(Cl)cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1O ZINC000529673863 479243425 /nfs/dbraw/zinc/24/34/25/479243425.db2.gz FOUKYNXJYKPRAK-RRMDADRESA-N 1 0 329.849 2.540 10 10 EFCERO C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(N3CCCC3)cc2)CC[N@@H+]1C ZINC000173993444 533890834 /nfs/dbraw/zinc/89/08/34/533890834.db2.gz VHZHRUGQUSBWFT-VQIMIIECSA-N 1 0 344.503 2.911 10 10 EFCERO C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(N(C)C)c(F)c2)CC[N@@H+]1C ZINC000174443530 533891146 /nfs/dbraw/zinc/89/11/46/533891146.db2.gz PPGFSECGHMJZKY-UKRRQHHQSA-N 1 0 336.455 2.516 10 10 EFCERO C[C@H]1C[C@@H](N(C)C(=O)NCc2ccc3c(c2)CCCN3C)CC[N@@H+]1C ZINC000174447585 534093990 /nfs/dbraw/zinc/09/39/90/534093990.db2.gz CQXNVTDWYSMAFR-YJBOKZPZSA-N 1 0 344.503 2.693 10 10 EFCERO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](Cc3noc(C)n3)C2)c1O ZINC000175622611 527210981 /nfs/dbraw/zinc/21/09/81/527210981.db2.gz DGLLBQJJYUNDAB-CYBMUJFWSA-N 1 0 347.390 2.880 10 10 EFCERO CC(C)(C)OC[C@H](O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000246438581 534984944 /nfs/dbraw/zinc/98/49/44/534984944.db2.gz CZRLFRIHJLDDMN-IAGOWNOFSA-N 1 0 337.460 2.549 10 10 EFCERO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCN(C3CCOCC3)C2=O)cc1 ZINC000367412410 535765365 /nfs/dbraw/zinc/76/53/65/535765365.db2.gz JHXVDIJEPHKAQF-HNAYVOBHSA-N 1 0 345.487 2.573 10 10 EFCERO COc1ccc(-n2c(C)cc(C(=O)N[C@H]3CCC[NH2+][C@H]3C)c2C)cc1 ZINC000193494546 536551991 /nfs/dbraw/zinc/55/19/91/536551991.db2.gz TUJRWAJZELNYCU-LIRRHRJNSA-N 1 0 341.455 2.973 10 10 EFCERO COc1cc(O)c(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1OC ZINC000245542514 536857084 /nfs/dbraw/zinc/85/70/84/536857084.db2.gz PWUVHBSJTWWZNU-CVEARBPZSA-N 1 0 334.460 2.857 10 10 EFCERO COCCn1c(C)c(C)c2cc(C(=O)NC3CC([NH+](C)C)C3)ccc21 ZINC000670401731 547483784 /nfs/dbraw/zinc/48/37/84/547483784.db2.gz UDHCEPFXPHAEOQ-UHFFFAOYSA-N 1 0 343.471 2.727 10 10 EFCERO COc1cc(C)cc(C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c1O ZINC000754724284 575477342 /nfs/dbraw/zinc/47/73/42/575477342.db2.gz UDWCILBHNXRBKQ-UHFFFAOYSA-N 1 0 340.423 2.973 10 10 EFCERO COc1cc(C)cc(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c1O ZINC000754726336 575478434 /nfs/dbraw/zinc/47/84/34/575478434.db2.gz PRYAYDNELCODLD-HNNXBMFYSA-N 1 0 332.444 2.544 10 10 EFCERO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3c(O)ccc4ccncc43)[C@H]2C1 ZINC000754797327 575492338 /nfs/dbraw/zinc/49/23/38/575492338.db2.gz NTIDTXIXDRCFAG-LJHODMEESA-N 1 0 328.412 2.709 10 10 EFCERO CCC[NH+]1CCC(C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2[O-])CC1 ZINC000756534665 575756615 /nfs/dbraw/zinc/75/66/15/575756615.db2.gz MFSPZGUCTZQTCM-AWEZNQCLSA-N 1 0 334.460 2.951 10 10 EFCERO C[C@H](CC[NH2+][C@@H](C)c1ccc(Br)cc1O)[S@@](C)=O ZINC000756760908 575784739 /nfs/dbraw/zinc/78/47/39/575784739.db2.gz KSGXZTOQNCFQLL-AUSHCKSDSA-N 1 0 334.279 2.962 10 10 EFCERO CC(C)(C)[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1O ZINC000757866885 575854922 /nfs/dbraw/zinc/85/49/22/575854922.db2.gz ONLUQWZITHOJTJ-RBUKOAKNSA-N 1 0 332.488 2.752 10 10 EFCERO COc1cc(Br)cc(C[NH2+][C@H]2CCOC[C@H]2C)c1O ZINC000762485985 576306955 /nfs/dbraw/zinc/30/69/55/576306955.db2.gz LREAKGZUBDZVQK-SKDRFNHKSA-N 1 0 330.222 2.678 10 10 EFCERO CN1CCCc2cc(CNC(=O)CC[C@H]3CCCC[N@@H+]3C)ccc21 ZINC000764464781 576461132 /nfs/dbraw/zinc/46/11/32/576461132.db2.gz RGHMXIGGWLGLMA-GOSISDBHSA-N 1 0 329.488 2.950 10 10 EFCERO CCOc1ccc(C[NH2+][C@@H]2CCCN(c3cc(C)nn3C)C2)c(O)c1 ZINC000767738704 577231089 /nfs/dbraw/zinc/23/10/89/577231089.db2.gz FYEYVSDPJGWUML-MRXNPFEDSA-N 1 0 344.459 2.591 10 10 EFCERO COc1cc(C[N@@H+]2CCNC(=O)C[C@@H]2c2ccccc2)c(O)cc1C ZINC000768440074 577273766 /nfs/dbraw/zinc/27/37/66/577273766.db2.gz NLHNBUWLCODNAZ-QGZVFWFLSA-N 1 0 340.423 2.772 10 10 EFCERO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768448318 577274657 /nfs/dbraw/zinc/27/46/57/577274657.db2.gz BTSXAESHNBIJMP-YHBQJITHSA-N 1 0 341.407 2.780 10 10 EFCERO Oc1cc2c(cc1C[N@H+](C[C@H]1CCCO1)C1CCCC1)[C@@H](O)CO2 ZINC000768465811 577276322 /nfs/dbraw/zinc/27/63/22/577276322.db2.gz LYHWDUNZCNUMLX-QAPCUYQASA-N 1 0 333.428 2.742 10 10 EFCERO CS/C=C\C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000769123122 577336995 /nfs/dbraw/zinc/33/69/95/577336995.db2.gz WPVIHPSWDWTQGT-JYRVWZFOSA-N 1 0 345.512 2.712 10 10 EFCERO CCCN(CCC)c1ccc(CN2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000769327929 577352484 /nfs/dbraw/zinc/35/24/84/577352484.db2.gz OHURQPGSAKODJB-SFHVURJKSA-N 1 0 333.520 2.811 10 10 EFCERO CCOc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c(O)c1 ZINC000769403518 577359770 /nfs/dbraw/zinc/35/97/70/577359770.db2.gz DCEATCBQLKZNNK-INIZCTEOSA-N 1 0 332.444 2.625 10 10 EFCERO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(N(C)CC)cc1 ZINC000773853138 581469737 /nfs/dbraw/zinc/46/97/37/581469737.db2.gz YCKJZVBKNGBYDT-ROUUACIJSA-N 1 0 334.460 2.685 10 10 EFCERO CO[C@H](C[NH2+][C@@H](C)c1ccc(Br)cc1O)[C@@H]1CCOC1 ZINC000850485126 1250501852 /nfs/dbraw/zinc/50/18/52/1250501852.db2.gz XVRAZSSBQBIBIS-FIXISWKDSA-N 1 0 344.249 2.857 10 10 EFCERO Cc1cc(Br)c(O)c(CN2CC[NH+](CC3CC3)CC2)c1 ZINC000781898539 1249545571 /nfs/dbraw/zinc/54/55/71/1249545571.db2.gz YWYBCWRGCJBTOH-UHFFFAOYSA-N 1 0 339.277 2.991 10 10 EFCERO COc1cc(C[NH2+]CCCN2CCOC2=O)c(O)c(C(C)(C)C)c1 ZINC000850117515 1250292608 /nfs/dbraw/zinc/29/26/08/1250292608.db2.gz FGKITHRVCNYYGE-UHFFFAOYSA-N 1 0 336.432 2.630 10 10 EFCERO COc1cc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c(O)c(C(C)(C)C)c1 ZINC000850166383 1250329608 /nfs/dbraw/zinc/32/96/08/1250329608.db2.gz ZQAIIFJEOMUTGZ-MRRJBJDNSA-N 1 0 346.471 2.797 10 10 EFCERO COc1cc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c(O)c(C(C)(C)C)c1 ZINC000850166385 1250329766 /nfs/dbraw/zinc/32/97/66/1250329766.db2.gz ZQAIIFJEOMUTGZ-SUYBPPKGSA-N 1 0 346.471 2.797 10 10 EFCERO COc1cc(C[NH2+]C[C@@]2(CCO)CCOC2)c(O)c(C(C)(C)C)c1 ZINC000850191032 1250345385 /nfs/dbraw/zinc/34/53/85/1250345385.db2.gz PQXKXBBVDSMDHS-LJQANCHMSA-N 1 0 337.460 2.577 10 10 EFCERO COc1cc(C[NH2+]CC[C@@H](C)[S@@](C)=O)c(O)c(C(C)(C)C)c1 ZINC000850193626 1250345620 /nfs/dbraw/zinc/34/56/20/1250345620.db2.gz VPMOXXOLUQFXJY-VERVWZFWSA-N 1 0 327.490 2.945 10 10 EFCERO COCC(=O)N1CCC[C@H](C)[C@@H]1CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001691286423 1248600414 /nfs/dbraw/zinc/60/04/14/1248600414.db2.gz VVZHUUMFVWULLM-YJBOKZPZSA-N 1 0 348.487 2.757 10 10 EFCERO CO[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)[C@@H]1CCOC1 ZINC000850342889 1250440185 /nfs/dbraw/zinc/44/01/85/1250440185.db2.gz OEKXWRQGFQVNLW-CJNGLKHVSA-N 1 0 346.393 2.913 10 10 EFCERO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccc4c(c3)ncn4C)C2)cc1 ZINC000850346807 1250440338 /nfs/dbraw/zinc/44/03/38/1250440338.db2.gz KLVGSWDCVQLLLX-MRXNPFEDSA-N 1 0 336.439 2.950 10 10 EFCERO COc1cc(C[NH2+]C[C@H](OC)[C@H]2CCOC2)c(O)c(C(C)(C)C)c1 ZINC000850341752 1250441061 /nfs/dbraw/zinc/44/10/61/1250441061.db2.gz DYQBCTBFDRNRCU-GUYCJALGSA-N 1 0 337.460 2.839 10 10 EFCERO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)[C@@H]1C ZINC000850346814 1250442399 /nfs/dbraw/zinc/44/23/99/1250442399.db2.gz KTJBUSZNVQSZJE-DRMAHVMPSA-N 1 0 346.471 2.841 10 10 EFCERO COc1ccc(N2CC[C@H]([NH2+]Cc3cccc4c3OCO4)C2)cc1 ZINC000850345781 1250442492 /nfs/dbraw/zinc/44/24/92/1250442492.db2.gz KHCAZWSZDPTNLC-HNNXBMFYSA-N 1 0 326.396 2.792 10 10 EFCERO COc1ccc(N2CC[C@H]([NH2+]Cc3c[nH]nc3-c3cccnc3)C2)cc1 ZINC000850345655 1250442561 /nfs/dbraw/zinc/44/25/61/1250442561.db2.gz HDYVLKMJWLIHKA-KRWDZBQOSA-N 1 0 349.438 2.849 10 10 EFCERO CCN(CC)c1ccc(C[NH2+]CC[S@](=O)CC(F)(F)F)cc1 ZINC000850349201 1250443426 /nfs/dbraw/zinc/44/34/26/1250443426.db2.gz AEMZRAHBFCIJHC-QFIPXVFZSA-N 1 0 336.423 2.933 10 10 EFCERO CN(C)c1ccc(/C=C/C[NH2+][C@H]2Cc3ccccc3N(C)C2=O)cc1 ZINC000850353045 1250445981 /nfs/dbraw/zinc/44/59/81/1250445981.db2.gz QVWAQBOKSQHUHM-GHOSXJJBSA-N 1 0 335.451 2.943 10 10 EFCERO O[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c2ccccc21 ZINC000850372496 1250453309 /nfs/dbraw/zinc/45/33/09/1250453309.db2.gz VKKDRQRZJTTZNV-QUCCMNQESA-N 1 0 342.414 2.930 10 10 EFCERO CCOc1ccc(O)c(C[NH2+]CC2(S(C)(=O)=O)CCCCC2)c1 ZINC000850376089 1250453698 /nfs/dbraw/zinc/45/36/98/1250453698.db2.gz AFNICFLBFJCGCK-UHFFFAOYSA-N 1 0 341.473 2.628 10 10 EFCERO COc1cc(Br)cc(C[NH2+][C@H]2C[C@@H](O)C23CCC3)c1O ZINC000850387862 1250458951 /nfs/dbraw/zinc/45/89/51/1250458951.db2.gz BQPZFKGAIUERDB-QWHCGFSZSA-N 1 0 342.233 2.556 10 10 EFCERO Cc1cc(Br)c([O-])c(C[NH2+]CCc2cncc(C)n2)c1 ZINC000850390748 1250461547 /nfs/dbraw/zinc/46/15/47/1250461547.db2.gz QYQCCBBBZOOZTH-UHFFFAOYSA-N 1 0 336.233 2.894 10 10 EFCERO CCN(CC)c1ccc(C[NH2+]CC2(S(=O)(=O)CC)CC2)cc1F ZINC000850398011 1250462918 /nfs/dbraw/zinc/46/29/18/1250462918.db2.gz OFNWJCCQNLMOPY-UHFFFAOYSA-N 1 0 342.480 2.729 10 10 EFCERO CN(C)c1ccc(/C=C/C[NH2+]CC(C)(C)[C@@]2(O)CCCOC2)cc1 ZINC000850400866 1250466979 /nfs/dbraw/zinc/46/69/79/1250466979.db2.gz PKPNVJJFJAPJNZ-ZEZYUPADSA-N 1 0 332.488 2.923 10 10 EFCERO COc1cc(Br)cc(C[NH2+][C@H](C)c2nccn2C)c1O ZINC000850410634 1250471523 /nfs/dbraw/zinc/47/15/23/1250471523.db2.gz YPANEDWSYFOAQU-SECBINFHSA-N 1 0 340.221 2.748 10 10 EFCERO C[C@H](O)[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000850419867 1250478751 /nfs/dbraw/zinc/47/87/51/1250478751.db2.gz IEMLAEPAGWXBIR-YWZLYKJASA-N 1 0 344.430 2.874 10 10 EFCERO CO[C@H](C[NH2+][C@H](C)c1ccc(Br)cc1O)[C@@H]1CCOC1 ZINC000850485128 1250502308 /nfs/dbraw/zinc/50/23/08/1250502308.db2.gz XVRAZSSBQBIBIS-UEKVPHQBSA-N 1 0 344.249 2.857 10 10 EFCERO C[C@@H]1C[C@@H]([NH2+]CCC2(CS(C)(=O)=O)CC2)c2c1c(F)ccc2O ZINC000850485898 1250503109 /nfs/dbraw/zinc/50/31/09/1250503109.db2.gz OUDQXPQUBKCNFD-DGCLKSJQSA-N 1 0 341.448 2.884 10 10 EFCERO COC[C@@H](CC[NH2+][C@@H](C)c1ccc(Br)cc1O)OC ZINC000850487206 1250503909 /nfs/dbraw/zinc/50/39/09/1250503909.db2.gz YFCSBZLRCZYATE-CMPLNLGQSA-N 1 0 332.238 2.857 10 10 EFCERO C[C@@H]([NH2+]CCO[C@H]1CC1(F)F)c1ccc(N2CCOCC2)cc1 ZINC000850519776 1250523530 /nfs/dbraw/zinc/52/35/30/1250523530.db2.gz QBXQQEIWGCRUEH-CJNGLKHVSA-N 1 0 326.387 2.598 10 10 EFCERO C[C@@H]([NH2+]CCO[C@@H]1CC1(F)F)c1ccc(N2CCOCC2)cc1 ZINC000850519777 1250524294 /nfs/dbraw/zinc/52/42/94/1250524294.db2.gz QBXQQEIWGCRUEH-CZUORRHYSA-N 1 0 326.387 2.598 10 10 EFCERO Cc1cncc(CC[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)n1 ZINC000850549603 1250531087 /nfs/dbraw/zinc/53/10/87/1250531087.db2.gz HMUCEIXVLPGRFC-OAHLLOKOSA-N 1 0 344.434 2.654 10 10 EFCERO Cc1cc(C)c([C@@H](C)[NH2+]CCN2C[C@H]3CCCCN3C2=O)c(O)c1 ZINC000850563189 1250535080 /nfs/dbraw/zinc/53/50/80/1250535080.db2.gz UKWXBEMXMIASTB-HZPDHXFCSA-N 1 0 331.460 2.950 10 10 EFCERO C[C@@H]1C[C@@H]([NH2+]CCN2C[C@H]3CCCCN3C2=O)c2c1c(F)ccc2O ZINC000850561652 1250537623 /nfs/dbraw/zinc/53/76/23/1250537623.db2.gz KOSYJFIWFOCSCH-UMVBOHGHSA-N 1 0 347.434 2.959 10 10 EFCERO Cc1ccc([C@@H](C)[NH2+]CCN2C[C@H]3CCCCN3C2=O)c(O)c1C ZINC000850561630 1250537984 /nfs/dbraw/zinc/53/79/84/1250537984.db2.gz KECWMSBQGIHMAM-HZPDHXFCSA-N 1 0 331.460 2.950 10 10 EFCERO OC1CCN(c2ccc(C[NH2+][C@H]3CCCc4n[nH]cc43)cc2)CC1 ZINC000850568502 1250540904 /nfs/dbraw/zinc/54/09/04/1250540904.db2.gz ZGUJYXAZLUENOS-SFHVURJKSA-N 1 0 326.444 2.538 10 10 EFCERO COc1ccc(C[NH2+]CCN(CCO)C(=O)/C=C/C(C)(C)C)cc1C ZINC001484478688 1252703810 /nfs/dbraw/zinc/70/38/10/1252703810.db2.gz YLBOFXZLFJKLHD-CMDGGOBGSA-N 1 0 348.487 2.516 10 10 EFCERO COc1ccc(N2CCN(CC[NH2+][C@@H](C)[C@H]3CC3(C)C)CC2)cc1 ZINC000785435436 1257095279 /nfs/dbraw/zinc/09/52/79/1257095279.db2.gz DEVFBZWZZAOQOP-QFBILLFUSA-N 1 0 331.504 2.841 10 10 EFCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2C[C@@H]2C(F)F)cc1C ZINC001272757200 1257423316 /nfs/dbraw/zinc/42/33/16/1257423316.db2.gz QVIPNEZJHFTDCW-QEJZJMRPSA-N 1 0 340.414 2.889 10 10 EFCERO COc1cc(C[NH2+]CC[C@H]2CC(=O)N(C)C2)c(O)c(C(C)(C)C)c1 ZINC000922484180 1266119112 /nfs/dbraw/zinc/11/91/12/1266119112.db2.gz GCZYFCSUNCNQRU-ZDUSSCGKSA-N 1 0 334.460 2.656 10 10 EFCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)c1n[nH]c(C)c1C ZINC001273305889 1266161333 /nfs/dbraw/zinc/16/13/33/1266161333.db2.gz YDPPOUBHIOTLDE-UHFFFAOYSA-N 1 0 344.459 2.595 10 10 EFCERO CN(C)c1ccc(C[NH2+]C2CC(CC(N)=O)C2)c(C(F)(F)F)c1 ZINC000922515196 1266182805 /nfs/dbraw/zinc/18/28/05/1266182805.db2.gz ZJKAVRFCBBNYCO-UHFFFAOYSA-N 1 0 329.366 2.515 10 10 EFCERO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CCCN3CCSC[C@@H]23)cc1 ZINC000922527631 1266204451 /nfs/dbraw/zinc/20/44/51/1266204451.db2.gz YBMBUFGQTQDGNC-QLGSUFQJSA-N 1 0 331.529 2.935 10 10 EFCERO C[C@@H]1[C@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCN1C ZINC000922559828 1266243298 /nfs/dbraw/zinc/24/32/98/1266243298.db2.gz OXSDDOBZNLBBLS-GDBMZVCRSA-N 1 0 332.448 2.767 10 10 EFCERO C[N@@H+]1CC[C@@H](NC(=O)NCc2c(O)cccc2F)[C@@H]1c1ccccc1 ZINC000921677609 1260276273 /nfs/dbraw/zinc/27/62/73/1260276273.db2.gz FQUYFIQOPGTNPV-AEFFLSMTSA-N 1 0 343.402 2.776 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2cccnc2)cc1C ZINC001485841517 1262444510 /nfs/dbraw/zinc/44/45/10/1262444510.db2.gz CINKGLSTRRUYNT-HNNXBMFYSA-N 1 0 327.428 2.649 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2[nH]ccc2C)cc1C ZINC001485874150 1262458229 /nfs/dbraw/zinc/45/82/29/1262458229.db2.gz UVRHXCSELGMKQF-OAHLLOKOSA-N 1 0 329.444 2.890 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2cc(F)c[nH]2)cc1C ZINC001485901560 1262481748 /nfs/dbraw/zinc/48/17/48/1262481748.db2.gz LNAOBHXJFYKZCI-CYBMUJFWSA-N 1 0 333.407 2.721 10 10 EFCERO CC[C@@H](F)C[NH2+][C@@H](C)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001485963776 1262547378 /nfs/dbraw/zinc/54/73/78/1262547378.db2.gz SYAWGFYQMDZHGH-WCQYABFASA-N 1 0 337.399 2.647 10 10 EFCERO CC[C@@H](F)C[NH2+][C@H](C)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001485963775 1262547651 /nfs/dbraw/zinc/54/76/51/1262547651.db2.gz SYAWGFYQMDZHGH-DGCLKSJQSA-N 1 0 337.399 2.647 10 10 EFCERO CC[C@@H](C)C[NH2+][C@@H](C)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001485961482 1262561344 /nfs/dbraw/zinc/56/13/44/1262561344.db2.gz GGSQNDAVYIRJJE-OLZOCXBDSA-N 1 0 333.436 2.945 10 10 EFCERO NC(=O)[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)Cc1ccc(F)cc1 ZINC000921948472 1263708828 /nfs/dbraw/zinc/70/88/28/1263708828.db2.gz OKOGQANPJZRYRG-QGZVFWFLSA-N 1 0 342.414 2.585 10 10 EFCERO COc1cc(Br)cc(C[NH2+][C@H]2CCOC2(C)C)c1O ZINC000824625079 1278227716 /nfs/dbraw/zinc/22/77/16/1278227716.db2.gz DYJWYBXEOXTEFR-LBPRGKRZSA-N 1 0 330.222 2.820 10 10 EFCERO COc1cc(O)c(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1OC ZINC000824696951 1278229652 /nfs/dbraw/zinc/22/96/52/1278229652.db2.gz VQJNQNHYYZCWIB-OAGGEKHMSA-N 1 0 335.444 2.925 10 10 EFCERO COc1cc(Br)cc(C[NH2+]C2(CF)CCOCC2)c1O ZINC000824690814 1278247998 /nfs/dbraw/zinc/24/79/98/1278247998.db2.gz MNQZPFLEVNPMOU-UHFFFAOYSA-N 1 0 348.212 2.772 10 10 EFCERO Cc1ncc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cn1 ZINC000733334671 1265174379 /nfs/dbraw/zinc/17/43/79/1265174379.db2.gz OZFHIKSDDQJCIN-QGZVFWFLSA-N 1 0 346.862 2.898 10 10 EFCERO C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000734846296 1267129906 /nfs/dbraw/zinc/12/99/06/1267129906.db2.gz PZQRFKXTAKGFME-LAUBAEHRSA-N 1 0 340.467 2.777 10 10 EFCERO CC[C@H]1COCC[N@@H+]1Cc1c(O)c(C(=O)OC)cc2ccccc21 ZINC000738085474 1268321651 /nfs/dbraw/zinc/32/16/51/1268321651.db2.gz UHYGJRQNFMACCD-AWEZNQCLSA-N 1 0 329.396 2.943 10 10 EFCERO [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000825124754 1278419464 /nfs/dbraw/zinc/41/94/64/1278419464.db2.gz XJYJZLMNMPKLLG-JMCQJSRRSA-N 1 0 327.705 2.930 10 10 EFCERO OCC1CCN(c2ccc(C[NH2+][C@@H]3CO[C@H](C4CC4)C3)cc2)CC1 ZINC000825137947 1278425441 /nfs/dbraw/zinc/42/54/41/1278425441.db2.gz GBUGQEVWHHDKHO-ICSRJNTNSA-N 1 0 330.472 2.552 10 10 EFCERO O=C1NCCN(Cc2cc3c(cc2O)CCC3)[C@@H]1c1cccs1 ZINC000743384555 1270559520 /nfs/dbraw/zinc/55/95/20/1270559520.db2.gz QLQJCUICOUMVBP-QGZVFWFLSA-N 1 0 328.437 2.616 10 10 EFCERO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000745722697 1271588017 /nfs/dbraw/zinc/58/80/17/1271588017.db2.gz YMMSNNDUYSVLPZ-KRWDZBQOSA-N 1 0 332.492 2.767 10 10 EFCERO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000745722699 1271588258 /nfs/dbraw/zinc/58/82/58/1271588258.db2.gz YMMSNNDUYSVLPZ-QGZVFWFLSA-N 1 0 332.492 2.767 10 10 EFCERO Cc1cc(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)c(C)n1-c1ccccn1 ZINC000844197084 1278801587 /nfs/dbraw/zinc/80/15/87/1278801587.db2.gz QEHRZSOWXBAOJF-FQEVSTJZSA-N 1 0 338.455 2.705 10 10 EFCERO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844279552 1278853804 /nfs/dbraw/zinc/85/38/04/1278853804.db2.gz TXYIOSMDYSZXMR-SFHVURJKSA-N 1 0 331.460 2.946 10 10 EFCERO CNC(=O)[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1O)C(C)C ZINC000787323109 1275756646 /nfs/dbraw/zinc/75/66/46/1275756646.db2.gz NCSKHUXCUPQXAH-IBGZPJMESA-N 1 0 342.439 2.831 10 10 EFCERO O=[N+]([O-])c1cc(CN2CCC3(CC[NH2+]3)CC2)ccc1N1CCCCC1 ZINC000817865536 1276351433 /nfs/dbraw/zinc/35/14/33/1276351433.db2.gz KPFZLDFLLXQEBA-UHFFFAOYSA-N 1 0 344.459 2.913 10 10 EFCERO CN(C)c1ccc([C@H](N)C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000817941895 1276386940 /nfs/dbraw/zinc/38/69/40/1276386940.db2.gz LPGIXJZDFHHPBY-SOAMZJECSA-N 1 0 331.504 2.937 10 10 EFCERO C[C@H](N[C@@H]1CCCC[NH2+]C1)c1ccc(N2CCOCC2)cc1Cl ZINC000817984609 1276422678 /nfs/dbraw/zinc/42/26/78/1276422678.db2.gz VMCOAQLTSWYEMX-LSDHHAIUSA-N 1 0 337.895 2.969 10 10 EFCERO CCCN(CCC)c1ccc(C[NH2+][C@H]2CCC(=O)N(C)C2=O)cc1 ZINC000818233715 1276495977 /nfs/dbraw/zinc/49/59/77/1276495977.db2.gz NFAJIUQLTXHMLQ-KRWDZBQOSA-N 1 0 331.460 2.550 10 10 EFCERO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CN(C4CC4)C[C@H]3C)C2)cc1 ZINC000818341555 1276509916 /nfs/dbraw/zinc/50/99/16/1276509916.db2.gz ANUBKXUUUYZAMF-JXXFODFXSA-N 1 0 329.488 2.594 10 10 EFCERO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCCc4n[nH]cc43)C2)cc1 ZINC000818342183 1276510356 /nfs/dbraw/zinc/51/03/56/1276510356.db2.gz MYHZTDQNWROPPN-RDTXWAMCSA-N 1 0 326.444 2.912 10 10 EFCERO Cc1ccc(OC[C@@H](O)C[NH2+]CCCSc2nccs2)cc1 ZINC000819062720 1276612527 /nfs/dbraw/zinc/61/25/27/1276612527.db2.gz IILYNZOIBROFKR-AWEZNQCLSA-N 1 0 338.498 2.963 10 10 EFCERO CC[NH+]1CCN(c2ccc(CNC(=O)C(F)=C3CCC3)cc2F)CC1 ZINC000819251537 1276684217 /nfs/dbraw/zinc/68/42/17/1276684217.db2.gz RNXYCLVMBOGQKU-UHFFFAOYSA-N 1 0 349.425 2.991 10 10 EFCERO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C[C@@H](O)c1ccc(F)cn1 ZINC000819377553 1276762290 /nfs/dbraw/zinc/76/22/90/1276762290.db2.gz SUAXDQCECXFSEA-IFXJQAMLSA-N 1 0 331.435 2.849 10 10 EFCERO Oc1cc(OCc2ccccc2)ccc1C[NH2+]C[C@H](O)C(F)(F)F ZINC000789600420 1276875308 /nfs/dbraw/zinc/87/53/08/1276875308.db2.gz UQJYQJMBIAPION-INIZCTEOSA-N 1 0 341.329 2.984 10 10 EFCERO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001136259105 1276896177 /nfs/dbraw/zinc/89/61/77/1276896177.db2.gz OQCCXPNVJHYORX-ZIAGYGMSSA-N 1 0 345.447 2.947 10 10 EFCERO CCOc1ccc(C[NH2+]C/C=C\CNC(=O)OC(C)(C)C)c(O)c1 ZINC000789866468 1277062406 /nfs/dbraw/zinc/06/24/06/1277062406.db2.gz PTEONLJVPWGVRO-SREVYHEPSA-N 1 0 336.432 2.961 10 10 EFCERO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001136379343 1277327260 /nfs/dbraw/zinc/32/72/60/1277327260.db2.gz XOZCFEQMMLHTMD-MCIONIFRSA-N 1 0 345.447 2.945 10 10 EFCERO Cc1cccc(OC[C@@H](O)CN2CCCc3cc(C[NH3+])ccc32)c1 ZINC000923285413 1277489192 /nfs/dbraw/zinc/48/91/92/1277489192.db2.gz BKEXIQWTHBSQFF-SFHVURJKSA-N 1 0 326.440 2.646 10 10 EFCERO Cc1cccc(OC[C@H](O)CN2CCCc3cc(C[NH3+])ccc32)c1 ZINC000923285412 1277489830 /nfs/dbraw/zinc/48/98/30/1277489830.db2.gz BKEXIQWTHBSQFF-GOSISDBHSA-N 1 0 326.440 2.646 10 10 EFCERO Oc1cc2c(cc1C[NH+]1CCC3(CC1)C(F)(F)C3(F)F)[C@@H](O)CO2 ZINC000844721867 1279200668 /nfs/dbraw/zinc/20/06/68/1279200668.db2.gz UIENKJNTEAUGOA-LBPRGKRZSA-N 1 0 347.308 2.684 10 10 EFCERO Fc1cc(C[NH2+][C@H]2CNc3ccccc3C2)ccc1N1CCOCC1 ZINC000844904636 1279325207 /nfs/dbraw/zinc/32/52/07/1279325207.db2.gz ALAIWGIDSMZENI-QGZVFWFLSA-N 1 0 341.430 2.789 10 10 EFCERO C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000844922936 1279344125 /nfs/dbraw/zinc/34/41/25/1279344125.db2.gz FHWOMPYWFRGOLD-CYBMUJFWSA-N 1 0 328.412 2.749 10 10 EFCERO OCC[C@@H]1CCCCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000793607861 1279769920 /nfs/dbraw/zinc/76/99/20/1279769920.db2.gz DLMSJGJTCLZFDB-KRWDZBQOSA-N 1 0 336.451 2.789 10 10 EFCERO COC(=O)CC1([NH2+]Cc2cc(Br)cc(C)c2O)CC1 ZINC000846027184 1279989796 /nfs/dbraw/zinc/98/97/96/1279989796.db2.gz LOZGUXFCGXPWCC-UHFFFAOYSA-N 1 0 328.206 2.648 10 10 EFCERO COc1cc(O)c(C[NH2+][C@@H](C)[C@](C)(O)c2ccccc2)cc1OC ZINC000846037344 1279995637 /nfs/dbraw/zinc/99/56/37/1279995637.db2.gz MQYHKDOEGKSUDE-DJJJIMSYSA-N 1 0 331.412 2.795 10 10 EFCERO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@@](C)(O)c1ccccc1 ZINC000846037138 1279996203 /nfs/dbraw/zinc/99/62/03/1279996203.db2.gz IOFYNJUSQPIOGN-DYESRHJHSA-N 1 0 340.467 2.909 10 10 EFCERO CN(C)c1ccc(/C=C/C[NH+]2CCC(Cn3cnnc3)CC2)cc1 ZINC000846054532 1280003312 /nfs/dbraw/zinc/00/33/12/1280003312.db2.gz AKLXGZQGXYSMQF-ONEGZZNKSA-N 1 0 325.460 2.770 10 10 EFCERO Fc1cc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)ccc1N1CCOCC1 ZINC000846116809 1280024461 /nfs/dbraw/zinc/02/44/61/1280024461.db2.gz KBEPVSVMYHWVJX-MRXNPFEDSA-N 1 0 326.362 2.893 10 10 EFCERO CCOc1ccc(C[NH2+][C@H]2CCCc3c2ccc(=O)n3C)c(O)c1 ZINC000846105999 1280036100 /nfs/dbraw/zinc/03/61/00/1280036100.db2.gz ADDVUDDNBFUVBD-INIZCTEOSA-N 1 0 328.412 2.657 10 10 EFCERO COc1cccc([C@@H](C)[NH2+]CCCNC(=O)c2cccs2)c1O ZINC000846151056 1280038170 /nfs/dbraw/zinc/03/81/70/1280038170.db2.gz UIZKYAREOSIHPG-GFCCVEGCSA-N 1 0 334.441 2.933 10 10 EFCERO CC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCCOC1 ZINC000872025852 1287405285 /nfs/dbraw/zinc/40/52/85/1287405285.db2.gz UVLYYUFPNQFRJA-SJLPKXTDSA-N 1 0 336.451 2.957 10 10 EFCERO Cc1cc(C(=O)N2CC3CCC2(C[NH3+])CC3)c(C)n1-c1ccccn1 ZINC000846679686 1280403428 /nfs/dbraw/zinc/40/34/28/1280403428.db2.gz LNDADKZHHIGBNS-UHFFFAOYSA-N 1 0 338.455 2.833 10 10 EFCERO COc1ccc(N2CCC([NH2+]CCC[C@@H]3CCOC3=O)CC2)cc1 ZINC000872117865 1287434616 /nfs/dbraw/zinc/43/46/16/1287434616.db2.gz SDXVYUGWBZKFSI-OAHLLOKOSA-N 1 0 332.444 2.597 10 10 EFCERO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H](C3CC3)C2)cc1 ZINC000808776255 1281895221 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10 10 EFCERO CN(C)c1cc(F)c(C[NH2+]C[C@H]2CC3(CO2)CCOCC3)cc1F ZINC000864053073 1302764267 /nfs/dbraw/zinc/76/42/67/1302764267.db2.gz GMXISXJHUKRXRF-CQSZACIVSA-N 1 0 340.414 2.706 10 10 EFCERO Cc1cc(CC(=O)NCC[N@@H+](C)C2CC2)c(C)n1-c1ccccc1 ZINC000823608968 1289383854 /nfs/dbraw/zinc/38/38/54/1289383854.db2.gz XPVAEPZWVLOFCP-UHFFFAOYSA-N 1 0 325.456 2.847 10 10 EFCERO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)c1 ZINC000824517500 1289678146 /nfs/dbraw/zinc/67/81/46/1289678146.db2.gz XABQKMKHQGFWHS-QWHCGFSZSA-N 1 0 347.436 2.623 10 10 EFCERO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)c1 ZINC000824517501 1289678279 /nfs/dbraw/zinc/67/82/79/1289678279.db2.gz XABQKMKHQGFWHS-STQMWFEESA-N 1 0 347.436 2.623 10 10 EFCERO O=S1(=O)C[C@H](C[NH2+]Cc2cc(Cl)ccc2O)c2ccccc21 ZINC000824514670 1289678680 /nfs/dbraw/zinc/67/86/80/1289678680.db2.gz BBAJUIXKRDOMLF-LBPRGKRZSA-N 1 0 337.828 2.706 10 10 EFCERO COc1cc(Br)cc(C[NH2+][C@@H]2CCn3ccnc32)c1O ZINC000824521740 1289681173 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2.848 10 10 EFCERO COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC000775350435 1291998877 /nfs/dbraw/zinc/99/88/77/1291998877.db2.gz LVYHYFGJKHSCPW-UKRRQHHQSA-N 1 0 337.439 2.848 10 10 EFCERO Cc1cc(CC[NH2+][C@@H]2CCCS(=O)(=O)C2)c(C)n1-c1ccccc1 ZINC000775363722 1292039438 /nfs/dbraw/zinc/03/94/38/1292039438.db2.gz LPOFTRNYUUKDNM-GOSISDBHSA-N 1 0 346.496 2.803 10 10 EFCERO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2nc3c(s2)CCC3)c1 ZINC000775368762 1292052552 /nfs/dbraw/zinc/05/25/52/1292052552.db2.gz FBHJOONNQMNMGN-JTQLQIEISA-N 1 0 347.440 2.635 10 10 EFCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@H](C)[C@@H]1CCCO1 ZINC001273596465 1292053480 /nfs/dbraw/zinc/05/34/80/1292053480.db2.gz IORLQXKHBWNJEO-APWZRJJASA-N 1 0 348.487 2.757 10 10 EFCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)c1ccn(C)c1C ZINC001273595981 1292056539 /nfs/dbraw/zinc/05/65/39/1292056539.db2.gz CBMYYXYUIYXCQR-UHFFFAOYSA-N 1 0 343.471 2.902 10 10 EFCERO CCN(C)c1ccc(C[N@H+](CCO)CCOCC(F)(F)F)cc1 ZINC001190944244 1292381502 /nfs/dbraw/zinc/38/15/02/1292381502.db2.gz IYLOYTQEKBEPJH-UHFFFAOYSA-N 1 0 334.382 2.516 10 10 EFCERO CN1C[C@H]([NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)CCC1=O ZINC000796310565 1292860190 /nfs/dbraw/zinc/86/01/90/1292860190.db2.gz PUJJUDFXAWVSII-HXUWFJFHSA-N 1 0 349.478 2.960 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2cc[nH]c2C)cc1C ZINC001277792702 1312964562 /nfs/dbraw/zinc/96/45/62/1312964562.db2.gz KOKZSWUARCXGDB-CQSZACIVSA-N 1 0 329.444 2.890 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2cc[nH]c2C)cc1C ZINC001277792696 1312964659 /nfs/dbraw/zinc/96/46/59/1312964659.db2.gz KOKZSWUARCXGDB-AWEZNQCLSA-N 1 0 329.444 2.890 10 10 EFCERO COc1cccc(C[NH2+]CC[C@@H]2CCC3(CCOCC3)CO2)c1O ZINC000886300926 1294832568 /nfs/dbraw/zinc/83/25/68/1294832568.db2.gz RZCLAYKNLKPZRR-INIZCTEOSA-N 1 0 335.444 2.856 10 10 EFCERO COC[C@@H]([NH2+]Cc1cc(Br)ccc1O)[C@H]1CCCOC1 ZINC000886359416 1294887433 /nfs/dbraw/zinc/88/74/33/1294887433.db2.gz BRJBFBRIENFLTK-SMDDNHRTSA-N 1 0 344.249 2.686 10 10 EFCERO COC[C@H]([NH2+]Cc1cc(Br)ccc1O)[C@H]1CCCOC1 ZINC000886359414 1294888199 /nfs/dbraw/zinc/88/81/99/1294888199.db2.gz BRJBFBRIENFLTK-FZMZJTMJSA-N 1 0 344.249 2.686 10 10 EFCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCC[C@@H]2OC)cc1C ZINC001274141514 1295502579 /nfs/dbraw/zinc/50/25/79/1295502579.db2.gz IMBYYACZCVMODF-NIAAJLDISA-N 1 0 346.471 2.581 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)COC2CCCC2)cc1C ZINC001274685497 1296137914 /nfs/dbraw/zinc/13/79/14/1296137914.db2.gz BJHNQKQBZWYVSM-OAHLLOKOSA-N 1 0 334.460 2.557 10 10 EFCERO CCOCC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001275747399 1296387554 /nfs/dbraw/zinc/38/75/54/1296387554.db2.gz PJVGZUNYFPSQFY-MSOLQXFVSA-N 1 0 348.487 2.805 10 10 EFCERO COc1ccc(C[NH2+]CCCN(C)C(=O)c2c(C)noc2C)cc1C ZINC001275862253 1296439907 /nfs/dbraw/zinc/43/99/07/1296439907.db2.gz WHIBRHOJYWGLFY-UHFFFAOYSA-N 1 0 345.443 2.860 10 10 EFCERO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3[C@@H]4CCC[NH2+][C@@H]4C3(C)C)C2)cc1 ZINC000925708486 1296871312 /nfs/dbraw/zinc/87/13/12/1296871312.db2.gz SSSWVICJTNFQPU-GEALJGNFSA-N 1 0 343.515 2.888 10 10 EFCERO C[C@@H](NC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1)c1ccccc1O ZINC000925917965 1296887317 /nfs/dbraw/zinc/88/73/17/1296887317.db2.gz AMAQHHRJARWKLI-PBHICJAKSA-N 1 0 342.443 2.840 10 10 EFCERO O=C(CC[N@@H+]1CCc2ccccc2C1)NCc1c(O)cccc1F ZINC000928708549 1297125916 /nfs/dbraw/zinc/12/59/16/1297125916.db2.gz OPPCAHLHFGJGDL-UHFFFAOYSA-N 1 0 328.387 2.596 10 10 EFCERO C[NH+](C)Cc1ccnc(NC(=O)NCc2cccc(Cl)c2O)c1 ZINC000932168704 1297404722 /nfs/dbraw/zinc/40/47/22/1297404722.db2.gz HUQJBFWTCNWPCN-UHFFFAOYSA-N 1 0 334.807 2.824 10 10 EFCERO CC(=O)c1cc(F)cc(C[NH+]2CCC(C(=O)N3CCCC3)CC2)c1O ZINC000079396574 1298373297 /nfs/dbraw/zinc/37/32/97/1298373297.db2.gz KDGKILLIKIFZFD-UHFFFAOYSA-N 1 0 348.418 2.568 10 10 EFCERO COc1cc(Cl)cc(CN2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)c1O ZINC000903983759 1313535798 /nfs/dbraw/zinc/53/57/98/1313535798.db2.gz LJLMDBIMEYMEJQ-WDEREUQCSA-N 1 0 338.757 2.766 10 10 EFCERO COc1cc(Cl)cc(CN2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1O ZINC000903983756 1313535894 /nfs/dbraw/zinc/53/58/94/1313535894.db2.gz LJLMDBIMEYMEJQ-GHMZBOCLSA-N 1 0 338.757 2.766 10 10 EFCERO CC1(C)OC[C@@H](CC[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)O1 ZINC000851841178 1299429086 /nfs/dbraw/zinc/42/90/86/1299429086.db2.gz NSWCLMJKGXDDBT-DLBZAZTESA-N 1 0 335.444 2.915 10 10 EFCERO CC1(C)OC[C@H](CC[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)O1 ZINC000851841185 1299429693 /nfs/dbraw/zinc/42/96/93/1299429693.db2.gz NSWCLMJKGXDDBT-SJORKVTESA-N 1 0 335.444 2.915 10 10 EFCERO Oc1ccccc1C[N@H+](CCO[C@@H]1CC1(F)F)C[C@H]1CCCO1 ZINC000851841525 1299429808 /nfs/dbraw/zinc/42/98/08/1299429808.db2.gz VHZFAPANEPWUET-GDBMZVCRSA-N 1 0 327.371 2.797 10 10 EFCERO COC1CCN(c2ccc(C[N@@H+]3C[C@@H]4COC[C@@]4(C)C3)cc2)CC1 ZINC000852534520 1299744191 /nfs/dbraw/zinc/74/41/91/1299744191.db2.gz CGYKXLJNFGKAIN-YLJYHZDGSA-N 1 0 330.472 2.770 10 10 EFCERO CC(C)(C)c1ccc2c(c1)CCN2C(=O)c1cn[nH]c1[C@H]1CC[NH2+]C1 ZINC000852800673 1299894495 /nfs/dbraw/zinc/89/44/95/1299894495.db2.gz QZGKTUXJDZXTLW-AWEZNQCLSA-N 1 0 338.455 2.987 10 10 EFCERO Cc1cc(CC(=O)N2CCC[C@@H](C[NH3+])C2)c(C)n1-c1ccccc1 ZINC000853303207 1300080822 /nfs/dbraw/zinc/08/08/22/1300080822.db2.gz QDTYIUZBAUDCAG-KRWDZBQOSA-N 1 0 325.456 2.834 10 10 EFCERO CCN(C(=O)NCc1ccc(N2CCCC2)cc1)[C@@H]1CC[N@H+](CC)C1 ZINC000853412064 1300108432 /nfs/dbraw/zinc/10/84/32/1300108432.db2.gz SGIRVCDCUQEFDV-LJQANCHMSA-N 1 0 344.503 2.913 10 10 EFCERO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000853583081 1300177304 /nfs/dbraw/zinc/17/73/04/1300177304.db2.gz OQLWVXHKSJVKDD-OAHLLOKOSA-N 1 0 349.475 2.583 10 10 EFCERO CN(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000853583607 1300177413 /nfs/dbraw/zinc/17/74/13/1300177413.db2.gz UOFIPRPKUACKFF-HNNXBMFYSA-N 1 0 327.428 2.733 10 10 EFCERO CN(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000853583078 1300177763 /nfs/dbraw/zinc/17/77/63/1300177763.db2.gz OQLWVXHKSJVKDD-HNNXBMFYSA-N 1 0 349.475 2.583 10 10 EFCERO CC[N@@H+]1CCCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000853686463 1300229049 /nfs/dbraw/zinc/22/90/49/1300229049.db2.gz IJEYLYJBDKTVGE-KGXGESDWSA-N 1 0 347.415 2.702 10 10 EFCERO CC[N@@H+]1CCCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000853686465 1300229087 /nfs/dbraw/zinc/22/90/87/1300229087.db2.gz IJEYLYJBDKTVGE-RCQQVGEISA-N 1 0 347.415 2.702 10 10 EFCERO CCN(C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[C@H]1CC[N@H+](CC)C1 ZINC000854004290 1300384402 /nfs/dbraw/zinc/38/44/02/1300384402.db2.gz PWARCQUBBJHJFJ-YJBOKZPZSA-N 1 0 332.492 2.939 10 10 EFCERO CCN(C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)[C@@H]1CC[N@H+](C)C1 ZINC000854176197 1300461473 /nfs/dbraw/zinc/46/14/73/1300461473.db2.gz BZOIDEWWQQVKAW-QFBILLFUSA-N 1 0 346.519 2.728 10 10 EFCERO COc1ccc(N2CC[C@H](NC(=O)C3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000855227305 1300849448 /nfs/dbraw/zinc/84/94/48/1300849448.db2.gz XEPFSBUNVCZJFO-KRWDZBQOSA-N 1 0 345.487 2.511 10 10 EFCERO CC[C@@H](C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)[NH+](CC)CC ZINC000855229543 1300851526 /nfs/dbraw/zinc/85/15/26/1300851526.db2.gz AFUBSKLPSKWCGM-QAPCUYQASA-N 1 0 333.476 2.511 10 10 EFCERO Cc1cc(C[N@@H+]2CC3(CCOCC3)CC[C@H]2CO)ccc1N(C)C ZINC000859521452 1301482139 /nfs/dbraw/zinc/48/21/39/1301482139.db2.gz IFENOJUSRDFLCR-SFHVURJKSA-N 1 0 332.488 2.815 10 10 EFCERO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000861663108 1302186511 /nfs/dbraw/zinc/18/65/11/1302186511.db2.gz RCGKBRDHXAWILV-KRWDZBQOSA-N 1 0 330.476 2.569 10 10 EFCERO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000861687103 1302190001 /nfs/dbraw/zinc/19/00/01/1302190001.db2.gz XDISWMCWQKWPBA-DOTOQJQBSA-N 1 0 332.492 2.813 10 10 EFCERO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000861687104 1302190510 /nfs/dbraw/zinc/19/05/10/1302190510.db2.gz XDISWMCWQKWPBA-NVXWUHKLSA-N 1 0 332.492 2.813 10 10 EFCERO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@@H](c3ccnc(N)n3)C2)cc1F ZINC000862357747 1302345974 /nfs/dbraw/zinc/34/59/74/1302345974.db2.gz FRMLXAJLHLWEMG-GFCCVEGCSA-N 1 0 347.413 2.783 10 10 EFCERO CCOC(=O)c1cccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)n1 ZINC000862368239 1302352671 /nfs/dbraw/zinc/35/26/71/1302352671.db2.gz FPKMHUAGOCXTQB-LBPRGKRZSA-N 1 0 330.384 2.823 10 10 EFCERO CC(C)[N@@H+](Cc1c(O)cccc1Br)C[C@@H]1CCC(=O)N1 ZINC000862395288 1302367327 /nfs/dbraw/zinc/36/73/27/1302367327.db2.gz ZCRCRHNZEUKCAK-NSHDSACASA-N 1 0 341.249 2.644 10 10 EFCERO CN(C)c1ccc(/C=C\C[NH2+][C@@](C)(CO)c2cccc(O)c2)cc1 ZINC000862432882 1302383740 /nfs/dbraw/zinc/38/37/40/1302383740.db2.gz QFIURTULNZQMPR-PRPIBZDOSA-N 1 0 326.440 2.969 10 10 EFCERO COC(=O)[C@@]1(OC)CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000862474626 1302393672 /nfs/dbraw/zinc/39/36/72/1302393672.db2.gz WRTFKIIIMUMVQW-HXUWFJFHSA-N 1 0 341.407 2.823 10 10 EFCERO OC[C@]12CCC[C@H]1C[N@H+](Cc1ccc(Br)cc1O)C2 ZINC000862528577 1302406025 /nfs/dbraw/zinc/40/60/25/1302406025.db2.gz APSUGSXIVGWALI-SWLSCSKDSA-N 1 0 326.234 2.749 10 10 EFCERO COC[C@]1(C)C[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)CCO1 ZINC000862552001 1302412480 /nfs/dbraw/zinc/41/24/80/1302412480.db2.gz REVNFNFRXFWMGG-IBGZPJMESA-N 1 0 337.460 2.936 10 10 EFCERO C[C@@H](N[C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(N2CCOCC2)cc1Cl ZINC000863545408 1302644666 /nfs/dbraw/zinc/64/46/66/1302644666.db2.gz RBLXLGHPSVUCGZ-KFWWJZLASA-N 1 0 337.895 2.968 10 10 EFCERO COC(=O)[C@]12C[N@H+](Cc3cc(C(C)C)c(C)cc3O)C[C@H]1COCC2 ZINC000794681918 1302922843 /nfs/dbraw/zinc/92/28/43/1302922843.db2.gz YPZZRZOLTXBQSI-OXJNMPFZSA-N 1 0 347.455 2.836 10 10 EFCERO CC[C@@H]1C[N@H+](Cc2c(O)ccc3ccncc32)C[C@@]2(CCOC2)O1 ZINC000794694672 1302983829 /nfs/dbraw/zinc/98/38/29/1302983829.db2.gz PENOFECJDDOGQV-DNVCBOLYSA-N 1 0 328.412 2.710 10 10 EFCERO C[C@H]([NH2+]Cc1cn(C2CC2)cn1)c1ccc(N2CCOCC2)cc1 ZINC000865431254 1303252972 /nfs/dbraw/zinc/25/29/72/1303252972.db2.gz AJVZOJXPZIZTED-HNNXBMFYSA-N 1 0 326.444 2.905 10 10 EFCERO CC(=O)NCC1CCC([NH2+]Cc2ccc3c(c2)CCCN3C)CC1 ZINC000865437890 1303256582 /nfs/dbraw/zinc/25/65/82/1303256582.db2.gz WCOOHZAWMOGJNA-UHFFFAOYSA-N 1 0 329.488 2.854 10 10 EFCERO c1ncn(-c2cc(C[NH2+]Cc3ccc(N4CCCCC4)cc3)ccn2)n1 ZINC000865681445 1303363526 /nfs/dbraw/zinc/36/35/26/1303363526.db2.gz PSGOSRYXOIZJHF-UHFFFAOYSA-N 1 0 348.454 2.942 10 10 EFCERO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1 ZINC000865761811 1303389951 /nfs/dbraw/zinc/38/99/51/1303389951.db2.gz REPVDLSYDXDTLM-QUCCMNQESA-N 1 0 330.472 2.818 10 10 EFCERO O=C1NCCN1Cc1ccc(C[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000865815948 1303414780 /nfs/dbraw/zinc/41/47/80/1303414780.db2.gz SQLRZTSDMSMCLN-UHFFFAOYSA-N 1 0 345.830 2.861 10 10 EFCERO C[C@@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)c1cc2c(cc1O)CCCC2 ZINC000866412153 1303627405 /nfs/dbraw/zinc/62/74/05/1303627405.db2.gz FFUXORLAVJWFSF-PBHICJAKSA-N 1 0 332.488 2.767 10 10 EFCERO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCN(CC(C)(C)O)C2)c1O ZINC000866413492 1303629211 /nfs/dbraw/zinc/62/92/11/1303629211.db2.gz RXQAABUZIYSDBB-OCCSQVGLSA-N 1 0 326.868 2.850 10 10 EFCERO Cc1ccc([C@H](C)[NH2+]Cc2nnc(C3CCOCC3)[nH]2)c(O)c1C ZINC000866441903 1303641860 /nfs/dbraw/zinc/64/18/60/1303641860.db2.gz ZHPWOLSOMFKRLP-ZDUSSCGKSA-N 1 0 330.432 2.872 10 10 EFCERO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2nc3c(c(=O)[nH]2)COCC3)c1O ZINC000866630730 1303720857 /nfs/dbraw/zinc/72/08/57/1303720857.db2.gz VKKWTDVVXNRLFC-JTQLQIEISA-N 1 0 349.818 2.773 10 10 EFCERO C[C@H](NC(=O)NCC[N@H+](C)Cc1ccccc1)c1ccccc1O ZINC000868131062 1304144423 /nfs/dbraw/zinc/14/44/23/1304144423.db2.gz XSGGVGIEDQJUJO-HNNXBMFYSA-N 1 0 327.428 2.884 10 10 EFCERO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)CC[N@@H+]1C ZINC000868888534 1304520630 /nfs/dbraw/zinc/52/06/30/1304520630.db2.gz CIBLVFBIURBRSA-ZYSHUDEJSA-N 1 0 331.504 2.839 10 10 EFCERO CCC1([NH+]2CCCC2)CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000870271187 1305234453 /nfs/dbraw/zinc/23/44/53/1305234453.db2.gz RWGKHALHCXOYID-SOFGYWHQSA-N 1 0 344.455 2.978 10 10 EFCERO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2nc(C(C)(C)C)cs2)cc1 ZINC000870933862 1305695350 /nfs/dbraw/zinc/69/53/50/1305695350.db2.gz ZECYTPVWOQNNDN-CQSZACIVSA-N 1 0 346.500 2.936 10 10 EFCERO C[C@]12C[C@H]1CCC[C@H]2[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000800479323 1307930366 /nfs/dbraw/zinc/93/03/66/1307930366.db2.gz ZAUGUUDOJCNJNH-QRQLOZEOSA-N 1 0 348.512 2.590 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)COC(C)C)C2)cc1C ZINC001278357896 1314257146 /nfs/dbraw/zinc/25/71/46/1314257146.db2.gz WCPFBMASOFVNRY-WBVHZDCISA-N 1 0 334.460 2.508 10 10 EFCERO COCC(C)(C)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001277013916 1311469900 /nfs/dbraw/zinc/46/99/00/1311469900.db2.gz FSEPKZUSLWEFIF-QAQDUYKDSA-N 1 0 348.487 2.661 10 10 EFCERO CCOCCC(=O)N1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C(C)(C)C1 ZINC001284278369 1320300099 /nfs/dbraw/zinc/30/00/99/1320300099.db2.gz YQFDFZIZGKAMMW-GOSISDBHSA-N 1 0 348.487 2.757 10 10 EFCERO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)c2[nH]cnc2C)cc1C ZINC001277371355 1312069874 /nfs/dbraw/zinc/06/98/74/1312069874.db2.gz BAOXWXXUSHXZRC-AWEZNQCLSA-N 1 0 344.459 2.723 10 10 EFCERO CCCn1cc([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)nn1 ZINC000903046959 1312308710 /nfs/dbraw/zinc/30/87/10/1312308710.db2.gz DOGDHWOIZKVUAT-HUUCEWRRSA-N 1 0 329.448 2.626 10 10 EFCERO C[C@@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)c1ccc(Br)cc1O ZINC000903216272 1312470488 /nfs/dbraw/zinc/47/04/88/1312470488.db2.gz XVGLKAWBRMWCNF-MNOVXSKESA-N 1 0 341.249 2.674 10 10 EFCERO C[C@@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)c1cc(Br)ccc1O ZINC000903215821 1312470692 /nfs/dbraw/zinc/47/06/92/1312470692.db2.gz PDZJTJSGNZVSRT-GHMZBOCLSA-N 1 0 341.249 2.674 10 10 EFCERO CCOc1cc(NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)ncn1 ZINC001164317689 1312491064 /nfs/dbraw/zinc/49/10/64/1312491064.db2.gz GGLSWZFLSMQZIM-INIZCTEOSA-N 1 0 329.448 2.656 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCN(C)[C@H]2C)c1O ZINC000903300144 1312550478 /nfs/dbraw/zinc/55/04/78/1312550478.db2.gz HDKYLPKSMGTRCT-KWBADKCTSA-N 1 0 343.265 2.907 10 10 EFCERO COc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000179742165 1314714393 /nfs/dbraw/zinc/71/43/93/1314714393.db2.gz YSXRLXCBUQIOLQ-ZDUSSCGKSA-N 1 0 336.432 2.747 10 10 EFCERO COc1ccc(C[N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c(O)c1 ZINC000193334224 1315405199 /nfs/dbraw/zinc/40/51/99/1315405199.db2.gz MWCIXRNGZZBXPU-GASCZTMLSA-N 1 0 348.443 2.700 10 10 EFCERO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(O)cc2O)CCN1C(=O)OC(C)(C)C ZINC000382721440 1316556374 /nfs/dbraw/zinc/55/63/74/1316556374.db2.gz OQTMELMYPJRFTL-OCCSQVGLSA-N 1 0 336.432 2.975 10 10 EFCERO CCOCC(=O)NC1(C[NH2+]Cc2ccc(OC)c(C)c2)CCCC1 ZINC001318614032 1328653270 /nfs/dbraw/zinc/65/32/70/1328653270.db2.gz QDCQZJJNDRWLHI-UHFFFAOYSA-N 1 0 334.460 2.559 10 10 EFCERO CC[C@H](CNC(=O)Cc1ccc[nH]1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001318604017 1328650835 /nfs/dbraw/zinc/65/08/35/1328650835.db2.gz RAGJPEYIAWVMDS-MRXNPFEDSA-N 1 0 329.444 2.559 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2occ3c2CCC3)cc1C ZINC001265804300 1316880194 /nfs/dbraw/zinc/88/01/94/1316880194.db2.gz JVSBKNGUIWSXTR-AWEZNQCLSA-N 1 0 342.439 2.993 10 10 EFCERO CCCSCC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001265892726 1316905160 /nfs/dbraw/zinc/90/51/60/1316905160.db2.gz MVNGQUZZGAVCRS-INIZCTEOSA-N 1 0 336.501 2.837 10 10 EFCERO CC(C)CC[NH2+][C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001265949232 1316925150 /nfs/dbraw/zinc/92/51/50/1316925150.db2.gz FGKRUDMDBQXXPL-HNNXBMFYSA-N 1 0 331.420 2.699 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@H]3CC34CC4)CCC2)cc1C ZINC001280507492 1317594028 /nfs/dbraw/zinc/59/40/28/1317594028.db2.gz AGAWYPXNVBQQBI-MRXNPFEDSA-N 1 0 328.456 2.932 10 10 EFCERO CCC[C@@H](C)C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001280568122 1317618347 /nfs/dbraw/zinc/61/83/47/1317618347.db2.gz ULBNADCGHRRHPM-CRAIPNDOSA-N 1 0 348.487 2.757 10 10 EFCERO CCCCC(=O)NC1(C[NH2+]Cc2ccc(OC)c(C)c2)CCOCC1 ZINC001281211060 1318106144 /nfs/dbraw/zinc/10/61/44/1318106144.db2.gz CHRYAUVRNGPUDH-UHFFFAOYSA-N 1 0 348.487 2.949 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC2(OC)CCC2)cc1C ZINC001282120999 1318739219 /nfs/dbraw/zinc/73/92/19/1318739219.db2.gz ADYHSCQYZBKDHE-JKSUJKDBSA-N 1 0 348.487 2.946 10 10 EFCERO C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[N@H+](C)CC1CCC1 ZINC001282503650 1318974416 /nfs/dbraw/zinc/97/44/16/1318974416.db2.gz CPABWULPZOAQCM-LBPRGKRZSA-N 1 0 331.420 2.699 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CC(F)(F)F)cc1C ZINC001319431031 1328883758 /nfs/dbraw/zinc/88/37/58/1328883758.db2.gz ROUCRPGBFPKSMP-GFCCVEGCSA-N 1 0 332.366 2.893 10 10 EFCERO COC[C@H](C)C(=O)N1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C(C)(C)C1 ZINC001284275697 1320299068 /nfs/dbraw/zinc/29/90/68/1320299068.db2.gz KISSUJODAOQFNH-MAUKXSAKSA-N 1 0 348.487 2.613 10 10 EFCERO COC[C@@H](C)C(=O)N1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C(C)(C)C1 ZINC001284275696 1320299302 /nfs/dbraw/zinc/29/93/02/1320299302.db2.gz KISSUJODAOQFNH-CRAIPNDOSA-N 1 0 348.487 2.613 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)c2ccc(F)nc2)cc1C ZINC001319436662 1328884420 /nfs/dbraw/zinc/88/44/20/1328884420.db2.gz KONRDUUAILFOSD-AWEZNQCLSA-N 1 0 345.418 2.788 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CC2(OC)CCC2)cc1C ZINC001319447729 1328888172 /nfs/dbraw/zinc/88/81/72/1328888172.db2.gz DQVFHIXKSURHAP-MRXNPFEDSA-N 1 0 348.487 2.899 10 10 EFCERO CC(C)[N@H+](C)CCn1c(C2CC2)nnc1N(C)Cc1ccccc1O ZINC001287922222 1321548767 /nfs/dbraw/zinc/54/87/67/1321548767.db2.gz ZESOXTQXBLLPDZ-UHFFFAOYSA-N 1 0 343.475 2.838 10 10 EFCERO CCc1ccc([C@@H](CNC(=O)Cc2ccc(O)c(O)c2)[NH+](C)C)cc1 ZINC001290311274 1321897648 /nfs/dbraw/zinc/89/76/48/1321897648.db2.gz VITVCVDRDFDJIB-QGZVFWFLSA-N 1 0 342.439 2.622 10 10 EFCERO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCCC[C@H]2O)ccc1N1CCCCC1 ZINC000734844610 1321899870 /nfs/dbraw/zinc/89/98/70/1321899870.db2.gz RCUOLTLFHBCPNZ-MAUKXSAKSA-N 1 0 333.432 2.978 10 10 EFCERO CC(C)CC[N@H+](C)CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001320090802 1329073028 /nfs/dbraw/zinc/07/30/28/1329073028.db2.gz PSCYNFPJCNPXFS-UHFFFAOYSA-N 1 0 333.436 2.899 10 10 EFCERO Cc1cc(C(=O)N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)c(C)n1-c1ccccn1 ZINC001299822376 1323708595 /nfs/dbraw/zinc/70/85/95/1323708595.db2.gz PRWFVWAWUJJSKJ-DLBZAZTESA-N 1 0 340.471 2.948 10 10 EFCERO CCCn1cc(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)cn1 ZINC001491595844 1323735662 /nfs/dbraw/zinc/73/56/62/1323735662.db2.gz QDSYSEZTRZZKFN-OAHLLOKOSA-N 1 0 344.459 2.518 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2c[nH]nc2C2CC2)cc1C ZINC001491627858 1323759642 /nfs/dbraw/zinc/75/96/42/1323759642.db2.gz PVTKNILZWJHQRD-ZDUSSCGKSA-N 1 0 342.443 2.512 10 10 EFCERO CC[N@@H+]1CCN(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)[C@@H](C)C1 ZINC001312885045 1324998027 /nfs/dbraw/zinc/99/80/27/1324998027.db2.gz OAJINIVQNGVOIT-SJORKVTESA-N 1 0 346.519 2.728 10 10 EFCERO COc1ccc(C[NH2+][C@H](CNC(=O)C2=COCCC2)C2CC2)cc1C ZINC001317009175 1325478943 /nfs/dbraw/zinc/47/89/43/1325478943.db2.gz BKBBXGAYOVYGKS-GOSISDBHSA-N 1 0 344.455 2.682 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CC[C@H]3CCCO3)C2)cc1C ZINC001317103196 1325571327 /nfs/dbraw/zinc/57/13/27/1325571327.db2.gz WVNOFODMNSQRRQ-FGTMMUONSA-N 1 0 346.471 2.700 10 10 EFCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)c1conc1C ZINC001320830361 1329307729 /nfs/dbraw/zinc/30/77/29/1329307729.db2.gz NCHOCZVUTBEPTP-UHFFFAOYSA-N 1 0 331.416 2.552 10 10 EFCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)c2cncc(F)c2)cc1C ZINC001321023946 1329332692 /nfs/dbraw/zinc/33/26/92/1329332692.db2.gz KCRKFIWUSYGGMV-ONEGZZNKSA-N 1 0 343.402 2.614 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)C2C=CC=CC=C2)cc1C ZINC001317245100 1327786205 /nfs/dbraw/zinc/78/62/05/1327786205.db2.gz OSSQUGWWYZYJAT-MRXNPFEDSA-N 1 0 326.440 2.896 10 10 EFCERO CCc1nc(C(=O)NC[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)c(C)o1 ZINC001317275355 1327812043 /nfs/dbraw/zinc/81/20/43/1327812043.db2.gz IWHXWMHRKMAKLZ-ZDUSSCGKSA-N 1 0 345.443 2.771 10 10 EFCERO CC[C@H](F)C[NH2+]C[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001317352732 1327884766 /nfs/dbraw/zinc/88/47/66/1327884766.db2.gz DFTLOXDIBBZHPG-OCCSQVGLSA-N 1 0 349.410 2.649 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)N2CC[C@H](C[NH2+]C/C=C\Cl)C2)cc1 ZINC001317353983 1327886438 /nfs/dbraw/zinc/88/64/38/1327886438.db2.gz IEURTUFRFPMYMI-XJGZDTAESA-N 1 0 349.822 2.653 10 10 EFCERO CC[C@@H](F)C[N@H+](CC)CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001317492071 1328070499 /nfs/dbraw/zinc/07/04/99/1328070499.db2.gz HRMLQNSUMUKYTN-CYBMUJFWSA-N 1 0 337.399 2.649 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)c2ccco2)cc1C ZINC001321645466 1329401125 /nfs/dbraw/zinc/40/11/25/1329401125.db2.gz KZRSJDLOMYNECZ-CABCVRRESA-N 1 0 330.428 2.995 10 10 EFCERO CC1(NC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CC1 ZINC001323303966 1329533121 /nfs/dbraw/zinc/53/31/21/1329533121.db2.gz OYQIYWXZVZPTLP-UHFFFAOYSA-N 1 0 342.487 2.570 10 10 EFCERO COCCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@@H]1C ZINC001324043522 1329593570 /nfs/dbraw/zinc/59/35/70/1329593570.db2.gz TVKYWEMCFIQLII-DOTOQJQBSA-N 1 0 334.460 2.509 10 10 EFCERO CN1CCN(c2ccc(C[NH2+]C[C@@H]3C(C)(C)C3(F)F)cc2F)CC1 ZINC001327590593 1330498988 /nfs/dbraw/zinc/49/89/88/1330498988.db2.gz KKEFDDHJZIQUDY-MRXNPFEDSA-N 1 0 341.421 2.958 10 10 EFCERO CC[C@@H](F)C[NH2+][C@@H](C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001328459145 1330592691 /nfs/dbraw/zinc/59/26/91/1330592691.db2.gz MYDYWACGQXIHQP-WCQYABFASA-N 1 0 337.399 2.695 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2cncs2)cc1C ZINC001328994568 1330653798 /nfs/dbraw/zinc/65/37/98/1330653798.db2.gz FYBOTCZJQSMVIA-QWHCGFSZSA-N 1 0 333.457 2.757 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2c(C)ccn2C)cc1C ZINC001329026204 1330659017 /nfs/dbraw/zinc/65/90/17/1330659017.db2.gz FGQMVPBLJHIMKW-JKSUJKDBSA-N 1 0 343.471 2.947 10 10 EFCERO CCc1oncc1C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001329135524 1330672283 /nfs/dbraw/zinc/67/22/83/1330672283.db2.gz YMCMCGWRJOKHJJ-KGLIPLIRSA-N 1 0 345.443 2.851 10 10 EFCERO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccc([S@@](C)=O)cc3)C2)cc1 ZINC001329547841 1330718090 /nfs/dbraw/zinc/71/80/90/1330718090.db2.gz HBIHTTVAMDJNTN-VOIUYBSRSA-N 1 0 344.480 2.801 10 10 EFCERO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@H]1CCN(C2CCOCC2)C1=O ZINC001329717552 1330730008 /nfs/dbraw/zinc/73/00/08/1330730008.db2.gz RRAQFJTXMYSWMM-VNQPRFMTSA-N 1 0 344.455 2.618 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CC2(F)F)cc1C ZINC001331444141 1330838087 /nfs/dbraw/zinc/83/80/87/1330838087.db2.gz WTTJNHKRYJOORP-OCCSQVGLSA-N 1 0 326.387 2.595 10 10 EFCERO COC(=O)c1c(C[NH2+][C@H]2CCC[C@@H]2CCO)c2cc(F)ccc2n1C ZINC001331566419 1330854547 /nfs/dbraw/zinc/85/45/47/1330854547.db2.gz PNMVHUKAKWQTLN-WBMJQRKESA-N 1 0 348.418 2.745 10 10 EFCERO CCCCOCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@H]1C ZINC001331869779 1330883687 /nfs/dbraw/zinc/88/36/87/1330883687.db2.gz MCNGQBYPSYVDFO-SJLPKXTDSA-N 1 0 348.487 2.899 10 10 EFCERO CNC(=O)C[C@@H]([NH2+]Cc1cc(C)cc(OC)c1O)c1ccccc1 ZINC001332004803 1330903198 /nfs/dbraw/zinc/90/31/98/1330903198.db2.gz OJKSOPZUMHHWIB-MRXNPFEDSA-N 1 0 328.412 2.676 10 10 EFCERO CN(C)c1ccc(/C=C/C[NH2+]C2CC[NH+](CCCC(=O)[O-])CC2)cc1 ZINC001332029557 1330907055 /nfs/dbraw/zinc/90/70/55/1330907055.db2.gz KCAFCLOICFFXOM-HWKANZROSA-N 1 0 345.487 2.685 10 10 EFCERO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)CCS1 ZINC001333519044 1331158843 /nfs/dbraw/zinc/15/88/43/1331158843.db2.gz JRNXWGNBOJDXBE-GDBMZVCRSA-N 1 0 337.508 2.951 10 10 EFCERO CC(C)[N@@H+]1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC001338326068 1331692222 /nfs/dbraw/zinc/69/22/22/1331692222.db2.gz FAFATGUACYDEHI-UHFFFAOYSA-N 1 0 334.441 2.869 10 10 EFCERO CC[N@H+](Cc1ccc(N2CCN(C)CC2)c(F)c1)[C@H]1CCCOC1 ZINC001346206242 1332611387 /nfs/dbraw/zinc/61/13/87/1332611387.db2.gz QOXIIIVSUQNLBW-KRWDZBQOSA-N 1 0 335.467 2.578 10 10 EFCERO O=C(NC[C@@]12CC[N@H+](C1)CCC2)c1cc2cc(O)c(O)cc2s1 ZINC001347291248 1332732419 /nfs/dbraw/zinc/73/24/19/1332732419.db2.gz MZTYWLLYBILTRL-QGZVFWFLSA-N 1 0 332.425 2.528 10 10 EFCERO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)cc1 ZINC001347935716 1332786131 /nfs/dbraw/zinc/78/61/31/1332786131.db2.gz OTWAMOMBHURMGO-NJELEJDNSA-N 1 0 327.472 2.756 10 10 EFCERO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)cc1 ZINC001347935718 1332786449 /nfs/dbraw/zinc/78/64/49/1332786449.db2.gz OTWAMOMBHURMGO-RCFWFJCLSA-N 1 0 327.472 2.756 10 10 EFCERO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001349507172 1332962479 /nfs/dbraw/zinc/96/24/79/1332962479.db2.gz NZQAUSBAVKEAIL-NZSAHSFTSA-N 1 0 344.503 2.624 10 10 EFCERO CCN(C(=O)NCc1ccc(N(C)C)c(F)c1)[C@@H]1CC[N@H+](CC)C1 ZINC001350480625 1333087850 /nfs/dbraw/zinc/08/78/50/1333087850.db2.gz XRUGVLKWXQHQJT-OAHLLOKOSA-N 1 0 336.455 2.517 10 10 EFCERO c1cc(N2CCCC2)ccc1C[NH2+]C[C@@H]1CCN1C1CCOCC1 ZINC001350903356 1333149592 /nfs/dbraw/zinc/14/95/92/1333149592.db2.gz NRZHSWCZDLBVJB-FQEVSTJZSA-N 1 0 329.488 2.630 10 10 EFCERO COc1ccc(C[NH2+][C@H]2CCN(C(=O)COC(C)(C)C)C2)cc1C ZINC001480108281 1333340017 /nfs/dbraw/zinc/34/00/17/1333340017.db2.gz GGCGJLMVHBOODM-INIZCTEOSA-N 1 0 334.460 2.509 10 10 EFCERO C[C@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CC2(CCCCC2)O1 ZINC000848504076 1334761686 /nfs/dbraw/zinc/76/16/86/1334761686.db2.gz ATWWZXKXARJZEG-SUMWQHHRSA-N 1 0 333.428 2.742 10 10 EFCERO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CS1 ZINC000848521303 1334771099 /nfs/dbraw/zinc/77/10/99/1334771099.db2.gz MPMFQAGXIMSEBM-DJIMGWMZSA-N 1 0 347.528 2.762 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCCN(C)C2)c1O ZINC000848523973 1334772064 /nfs/dbraw/zinc/77/20/64/1334772064.db2.gz PAHZNVXVAJARRR-PWSUYJOCSA-N 1 0 343.265 2.908 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+]C[C@@](C)(O)C2CC2)c1O ZINC000848527445 1334774979 /nfs/dbraw/zinc/77/49/79/1334774979.db2.gz AXCHLZJVOQRTQF-BJOHPYRUSA-N 1 0 344.249 2.975 10 10 EFCERO CCC[C@@H](O)C[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848530712 1334777526 /nfs/dbraw/zinc/77/75/26/1334777526.db2.gz JRRBEKKWTHTZDJ-GXSJLCMTSA-N 1 0 332.238 2.975 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+]CC2(C)OCCO2)c1O ZINC000848535975 1334781266 /nfs/dbraw/zinc/78/12/66/1334781266.db2.gz IOXIKSVSRKTIFW-SECBINFHSA-N 1 0 346.221 2.577 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2C[C@@H](O)C2(C)C)c1O ZINC000848546554 1334787861 /nfs/dbraw/zinc/78/78/61/1334787861.db2.gz BCBNUHZEAGSXFD-AQUOVQTQSA-N 1 0 344.249 2.973 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CC[C@H](O)C2)c1O ZINC000848548212 1334787925 /nfs/dbraw/zinc/78/79/25/1334787925.db2.gz YEZVXJFAPQMGIG-UMNHJUIQSA-N 1 0 344.249 2.975 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+]CC2(CCO)CC2)c1O ZINC000848547260 1334788095 /nfs/dbraw/zinc/78/80/95/1334788095.db2.gz LVMBOZSOBTWGFY-JTQLQIEISA-N 1 0 344.249 2.977 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+]CC2(CCO)CC2)c1O ZINC000848547261 1334788118 /nfs/dbraw/zinc/78/81/18/1334788118.db2.gz LVMBOZSOBTWGFY-SNVBAGLBSA-N 1 0 344.249 2.977 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2C[C@@](C)(O)C2)c1O ZINC000848553074 1334791200 /nfs/dbraw/zinc/79/12/00/1334791200.db2.gz HZWCDLPBIFJZML-QEVYDEPDSA-N 1 0 330.222 2.727 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2C[C@@](C)(O)C2)c1O ZINC000848553073 1334791424 /nfs/dbraw/zinc/79/14/24/1334791424.db2.gz HZWCDLPBIFJZML-PWZJLYFZSA-N 1 0 330.222 2.727 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CO[C@H](C)C2)c1O ZINC000848554757 1334792673 /nfs/dbraw/zinc/79/26/73/1334792673.db2.gz BKYBHLWUACQLED-YWVKMMECSA-N 1 0 330.222 2.991 10 10 EFCERO CCN(CC)c1ccc(CN(C)C(=O)N[C@H](C[NH3+])C(F)(F)F)cc1 ZINC000848596473 1334808928 /nfs/dbraw/zinc/80/89/28/1334808928.db2.gz XNQHSWIBQHEUKK-CQSZACIVSA-N 1 0 346.397 2.564 10 10 EFCERO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000848595001 1334809244 /nfs/dbraw/zinc/80/92/44/1334809244.db2.gz IVHHDDMRRIUVKA-CQSZACIVSA-N 1 0 346.397 2.562 10 10 EFCERO CCc1cccc(CN2CCOC[C@H]2c2c(C)nn(C)c2C)c1O ZINC000848911360 1334980067 /nfs/dbraw/zinc/98/00/67/1334980067.db2.gz UXOHIMWNVWGDBQ-KRWDZBQOSA-N 1 0 329.444 2.878 10 10 EFCERO CCc1cccc(C[N@@H+]2CCCC[C@H]2CCS(C)(=O)=O)c1O ZINC000848913134 1334981926 /nfs/dbraw/zinc/98/19/26/1334981926.db2.gz PAENMDXYTQPARM-INIZCTEOSA-N 1 0 325.474 2.744 10 10 EFCERO CC1CCN(C(=[NH2+])NCc2cc(Br)ccc2O)CC1 ZINC000849049195 1335057189 /nfs/dbraw/zinc/05/71/89/1335057189.db2.gz FIWQYVUVQAOIID-UHFFFAOYSA-N 1 0 326.238 2.911 10 10 EFCERO CC(C)c1nnc(N(C)Cc2ccccc2O)n1C[C@H](C)[NH+](C)C ZINC001359681622 1335918039 /nfs/dbraw/zinc/91/80/39/1335918039.db2.gz KOWPMZWKOMFVII-AWEZNQCLSA-N 1 0 331.464 2.694 10 10 EFCERO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]2CCCOC2)cc1C ZINC001506913796 1406433459 /nfs/dbraw/zinc/43/34/59/1406433459.db2.gz JHVCYGMCSQZGMB-SJLPKXTDSA-N 1 0 348.487 2.805 10 10 EFCERO Cc1cc(Br)cc(CN2CC[N@@H+]3CCC[C@H]3C2)c1O ZINC000245648912 1419446779 /nfs/dbraw/zinc/44/67/79/1419446779.db2.gz GSANZZNJEKAKOW-AWEZNQCLSA-N 1 0 325.250 2.743 10 10 EFCERO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3ccc(C)c(O)c3O)C2)cc1 ZINC001455017584 1394516335 /nfs/dbraw/zinc/51/63/35/1394516335.db2.gz YFMWQQNFVOBFJQ-INIZCTEOSA-N 1 0 340.423 2.719 10 10 EFCERO CCOc1cc(NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)nc(C)n1 ZINC001458683910 1395548882 /nfs/dbraw/zinc/54/88/82/1395548882.db2.gz SBPWILHMGBDAKW-KRWDZBQOSA-N 1 0 343.475 2.965 10 10 EFCERO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001464349668 1396567190 /nfs/dbraw/zinc/56/71/90/1396567190.db2.gz YLTGHVRWJDEMQW-KRWDZBQOSA-N 1 0 335.467 2.924 10 10 EFCERO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001464349672 1396567260 /nfs/dbraw/zinc/56/72/60/1396567260.db2.gz YLTGHVRWJDEMQW-QGZVFWFLSA-N 1 0 335.467 2.924 10 10 EFCERO C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C[NH+]1CCCCC1 ZINC001464354692 1396568010 /nfs/dbraw/zinc/56/80/10/1396568010.db2.gz LKJUQUJKBLBLIQ-ZDUSSCGKSA-N 1 0 331.420 2.701 10 10 EFCERO CCCC[N@H+](Cc1ccccc1O)[C@H](C)c1nc(-c2nc[nH]n2)no1 ZINC001473423606 1397301318 /nfs/dbraw/zinc/30/13/18/1397301318.db2.gz AQVMFHCJMUDHQA-GFCCVEGCSA-N 1 0 342.403 2.924 10 10 EFCERO CN(C)c1ccc(CNC(=O)C[N@@H+]2C[C@H]3[C@H]4CC[C@H](C4)[C@@]3(C)C2)cc1 ZINC001473843032 1397338799 /nfs/dbraw/zinc/33/87/99/1397338799.db2.gz MDSSPFIAVCJZSC-ZDWTUXFCSA-N 1 0 341.499 2.737 10 10 EFCERO Cc1cc(CNC(=O)NC[C@H](C)[NH+](C)C)c(C)n1-c1ccccc1 ZINC001478651482 1397586592 /nfs/dbraw/zinc/58/65/92/1397586592.db2.gz SRWQMZIRJZREEZ-HNNXBMFYSA-N 1 0 328.460 2.843 10 10 EFCERO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC001478840375 1397591518 /nfs/dbraw/zinc/59/15/18/1397591518.db2.gz BANNNVMLZSCCEY-NVXWUHKLSA-N 1 0 346.519 2.633 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C[C@@H](C)SC)C2)cc1C ZINC001480200450 1398164177 /nfs/dbraw/zinc/16/41/77/1398164177.db2.gz JANUVNFHEZLIPO-BMFZPTHFSA-N 1 0 336.501 2.882 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2ccn(C(C)C)n2)cc1C ZINC001480546464 1398200521 /nfs/dbraw/zinc/20/05/21/1398200521.db2.gz OREBAZRHZUZLSI-HNNXBMFYSA-N 1 0 344.459 2.689 10 10 EFCERO CCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C(C)(C)C1 ZINC001507425067 1407038844 /nfs/dbraw/zinc/03/88/44/1407038844.db2.gz FHHCNFJKRSHZPI-MAUKXSAKSA-N 1 0 348.487 2.755 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CC2CCOCC2)cc1C ZINC001496025097 1400422439 /nfs/dbraw/zinc/42/24/39/1400422439.db2.gz JCTPAEJJHKSQIJ-INIZCTEOSA-N 1 0 348.487 2.757 10 10 EFCERO C[C@@H](C[NH2+]C/C=C\Cl)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001496243933 1400566428 /nfs/dbraw/zinc/56/64/28/1400566428.db2.gz NFWPJQOGWOCWMN-AMYZHARFSA-N 1 0 337.811 2.652 10 10 EFCERO COc1ccc(C[NH2+][C@@H](CNC(=O)[C@@H](C)SC)C(C)C)cc1C ZINC001496531861 1400800514 /nfs/dbraw/zinc/80/05/14/1400800514.db2.gz GIHBJQPSSKZZTC-ZBFHGGJFSA-N 1 0 338.517 2.986 10 10 EFCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@@]1(C)CCCOC1 ZINC001497474258 1401402835 /nfs/dbraw/zinc/40/28/35/1401402835.db2.gz UODFVLSYXYZLTE-FQEVSTJZSA-N 1 0 348.487 2.758 10 10 EFCERO COc1ccc(C[NH2+]CCCN(C)C(=O)c2ccc(C)n2C)cc1C ZINC001498514650 1402155102 /nfs/dbraw/zinc/15/51/02/1402155102.db2.gz VUFQVSMRVQXNNY-UHFFFAOYSA-N 1 0 343.471 2.902 10 10 EFCERO CCO[C@@H](C)C(=O)N(C)C1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001508097364 1407295902 /nfs/dbraw/zinc/29/59/02/1407295902.db2.gz MOFLEDORANYZPJ-OOHWJJMZSA-N 1 0 334.460 2.508 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)CC(C)C)CCOCC2)cc1C ZINC001500556461 1403219741 /nfs/dbraw/zinc/21/97/41/1403219741.db2.gz CPGDKKIOXWMUOB-UHFFFAOYSA-N 1 0 348.487 2.805 10 10 EFCERO CCC[N@H+](CC)CCn1c(C)nnc1N(C)Cc1ccccc1O ZINC001500775867 1403319521 /nfs/dbraw/zinc/31/95/21/1403319521.db2.gz QQKCSKFLKCDPSW-UHFFFAOYSA-N 1 0 331.464 2.660 10 10 EFCERO COc1ccc(C[NH2+][C@@H]2CN(C(=O)CCOC(C)C)C[C@@H]2C)cc1C ZINC001502703751 1404300182 /nfs/dbraw/zinc/30/01/82/1404300182.db2.gz QNVVMDJOQQJLPR-FUHWJXTLSA-N 1 0 348.487 2.755 10 10 EFCERO CC1([NH2+]CCCF)CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001502811005 1404357005 /nfs/dbraw/zinc/35/70/05/1404357005.db2.gz LLVKCUOQRXENAA-UHFFFAOYSA-N 1 0 349.410 2.793 10 10 EFCERO C[C@H](F)CC[NH2+]CC1CC(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001505539505 1404749779 /nfs/dbraw/zinc/74/97/79/1404749779.db2.gz LKWIQRORIFWDKP-BZUNDVKYSA-N 1 0 349.410 2.695 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2ccncc2)cc1C ZINC001505546944 1404756277 /nfs/dbraw/zinc/75/62/77/1404756277.db2.gz DKZSCUUXPUFSGC-HUUCEWRRSA-N 1 0 327.428 2.695 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C(=O)C(C)(C)C)cc1C ZINC001505579696 1404806480 /nfs/dbraw/zinc/80/64/80/1404806480.db2.gz ZVBRUTCYCAPRMX-KBPBESRZSA-N 1 0 334.460 2.602 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)Cc2cncs2)cc1C ZINC001505628875 1404872073 /nfs/dbraw/zinc/87/20/73/1404872073.db2.gz LCBXQMVIIKSIIH-ZIAGYGMSSA-N 1 0 347.484 2.686 10 10 EFCERO COCC1(C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)CCC1 ZINC001505655830 1404902311 /nfs/dbraw/zinc/90/23/11/1404902311.db2.gz FDQJJXQHRUCQET-HZPDHXFCSA-N 1 0 348.487 2.803 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C2(C)CCOCC2)cc1C ZINC001505709792 1404967623 /nfs/dbraw/zinc/96/76/23/1404967623.db2.gz JIHRKJDPPPGJME-HOTGVXAUSA-N 1 0 348.487 2.803 10 10 EFCERO CCCN(CCC[NH+](C)C)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC001559169770 1415228001 /nfs/dbraw/zinc/22/80/01/1415228001.db2.gz RLHQLJDZNQSPIK-CSKARUKUSA-N 1 0 349.431 2.949 10 10 EFCERO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1ccccc1O ZINC001560074903 1415262394 /nfs/dbraw/zinc/26/23/94/1415262394.db2.gz KXXAGWJTZYJOLY-NSHDSACASA-N 1 0 345.355 2.598 10 10 EFCERO CN(C)c1ccc([C@@H](CNC(=O)NCC2=CCCC2)[NH+](C)C)cc1 ZINC001565100875 1415389633 /nfs/dbraw/zinc/38/96/33/1415389633.db2.gz OPSLIMRPBVVAMY-GOSISDBHSA-N 1 0 330.476 2.765 10 10 EFCERO CCC[N@@H+]1CC[C@H](NC(=O)N(C)Cc2ccc(N3CCCC3)cc2)C1 ZINC001565128581 1415389984 /nfs/dbraw/zinc/38/99/84/1415389984.db2.gz IQKPUULDIDCEIU-SFHVURJKSA-N 1 0 344.503 2.913 10 10 EFCERO CN(C)c1ccc([C@H](CNC(=O)NC23CCC(CC2)C3)[NH+](C)C)cc1 ZINC001565452931 1415396007 /nfs/dbraw/zinc/39/60/07/1415396007.db2.gz OFYJNJXDBXQNJV-VDUSKEEQSA-N 1 0 344.503 2.987 10 10 EFCERO C[C@H](F)CC[NH2+][C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001566731130 1415748919 /nfs/dbraw/zinc/74/89/19/1415748919.db2.gz AMHBCEZZTBXZMI-NHYWBVRUSA-N 1 0 349.410 2.695 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H](C)OCC3CC3)C2)cc1C ZINC001566783760 1415773891 /nfs/dbraw/zinc/77/38/91/1415773891.db2.gz PODTYIGQSVCNFA-WBAXXEDZSA-N 1 0 346.471 2.556 10 10 EFCERO CCc1cccc(C(=O)NC[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)n1 ZINC001567023331 1415904941 /nfs/dbraw/zinc/90/49/41/1415904941.db2.gz TZUCNEAOMPNFAP-HNNXBMFYSA-N 1 0 341.455 2.869 10 10 EFCERO CC/C=C\CC[NH2+][C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001567083755 1415929000 /nfs/dbraw/zinc/92/90/00/1415929000.db2.gz SGRXPIHDRJQKKD-KPMCZTIKSA-N 1 0 331.420 2.913 10 10 EFCERO CC(C)C[N@H+](CCNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001567455402 1416145786 /nfs/dbraw/zinc/14/57/86/1416145786.db2.gz AEYSYVRFYOZSFB-UHFFFAOYSA-N 1 0 331.420 2.699 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)CCC(C)(F)F)cc1C ZINC001567518563 1416170927 /nfs/dbraw/zinc/17/09/27/1416170927.db2.gz GSGUOVXWSGQWRG-UHFFFAOYSA-N 1 0 328.403 2.987 10 10 EFCERO CCOCC(=O)N1CCC([C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001567619879 1416213076 /nfs/dbraw/zinc/21/30/76/1416213076.db2.gz HMNOAMCEDHWKFR-INIZCTEOSA-N 1 0 348.487 2.757 10 10 EFCERO CC[C@@H](CNC(=O)c1ccc(C)n1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567951179 1416341002 /nfs/dbraw/zinc/34/10/02/1416341002.db2.gz NDKRHGOOWKBLEX-KRWDZBQOSA-N 1 0 343.471 2.949 10 10 EFCERO CC[C@@H](CNC(=O)C1=COCCC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567953239 1416342254 /nfs/dbraw/zinc/34/22/54/1416342254.db2.gz SGSGDQANYIUGJD-KRWDZBQOSA-N 1 0 332.444 2.682 10 10 EFCERO COc1ccc(C[NH2+]CC2(NC(=O)[C@@H]3CCCO3)CCCC2)cc1C ZINC001567993196 1416352867 /nfs/dbraw/zinc/35/28/67/1416352867.db2.gz PBKLGAFNYKAWQX-SFHVURJKSA-N 1 0 346.471 2.701 10 10 EFCERO CC[C@H](F)C[NH2+]C[C@H](C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001568322599 1416476541 /nfs/dbraw/zinc/47/65/41/1416476541.db2.gz OXUPUXZBYDIGHG-AAEUAGOBSA-N 1 0 337.399 2.647 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](CC(C)C)NC(=O)c2cocn2)cc1C ZINC001568325777 1416477842 /nfs/dbraw/zinc/47/78/42/1416477842.db2.gz PRSQGVGVNQZVAL-INIZCTEOSA-N 1 0 345.443 2.926 10 10 EFCERO COc1ccc2c(c1)C[C@@H](C(C)C)CN2C[C@H](O)C[N@H+](C)C1CC1 ZINC001646305981 1416644628 /nfs/dbraw/zinc/64/46/28/1416644628.db2.gz GLTXUYMJWJBWOA-SJLPKXTDSA-N 1 0 332.488 2.785 10 10 EFCERO C[C@@H]1CCCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC001685608588 1416768761 /nfs/dbraw/zinc/76/87/61/1416768761.db2.gz DRTUDYHVSUUDPI-QAPCUYQASA-N 1 0 332.492 2.797 10 10 EFCERO CN(C)c1ccc([C@@H](CNC(=O)NOC2CCCCC2)[NH+](C)C)cc1 ZINC001686184305 1416791518 /nfs/dbraw/zinc/79/15/18/1416791518.db2.gz FZVZYTBDTMBJGP-GOSISDBHSA-N 1 0 348.491 2.919 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)c3ccn[nH]3)CCCC2)cc1C ZINC001698794868 1417334346 /nfs/dbraw/zinc/33/43/46/1417334346.db2.gz OGOXGWUTTKPCFR-UHFFFAOYSA-N 1 0 342.443 2.559 10 10 EFCERO COC[C@H](C)C(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CCCC1 ZINC001698796378 1417335971 /nfs/dbraw/zinc/33/59/71/1417335971.db2.gz VSRFIJBSTOVWTH-INIZCTEOSA-N 1 0 348.487 2.805 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)COC(C)C)cc1C ZINC001699019007 1417371272 /nfs/dbraw/zinc/37/12/72/1417371272.db2.gz YLJWBOSCSKHXBW-ROUUACIJSA-N 1 0 348.487 2.803 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)C2CCCCCC2)cc1C ZINC001699041755 1417379897 /nfs/dbraw/zinc/37/98/97/1417379897.db2.gz PJNCAPOIUOAQKC-SFHVURJKSA-N 1 0 348.487 2.541 10 10 EFCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)Cc2ccco2)cc1C ZINC001699144184 1417402689 /nfs/dbraw/zinc/40/26/89/1417402689.db2.gz VJNQPEPAJUHYOS-OAHLLOKOSA-N 1 0 330.428 2.824 10 10 EFCERO C[C@@]1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CCC[N@H+](CCF)C1 ZINC001699879861 1417495958 /nfs/dbraw/zinc/49/59/58/1417495958.db2.gz ZOQCXZVHPZVAKC-KRWDZBQOSA-N 1 0 349.410 2.650 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2ccccc2O)cc1C ZINC001700736326 1417635210 /nfs/dbraw/zinc/63/52/10/1417635210.db2.gz BUTFJERUWXOJGQ-OAHLLOKOSA-N 1 0 342.439 2.960 10 10 EFCERO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)CCCC(C)=O)C2)cc1C ZINC001700833650 1417662236 /nfs/dbraw/zinc/66/22/36/1417662236.db2.gz VFZYCKFPCNPTFI-MAUKXSAKSA-N 1 0 346.471 2.842 10 10 EFCERO CCOCCC(=O)N1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@@H]1C ZINC001700834437 1417662758 /nfs/dbraw/zinc/66/27/58/1417662758.db2.gz LLPCHFRLZSGPFX-DOTOQJQBSA-N 1 0 334.460 2.509 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C[C@H](C)SC)C2)cc1C ZINC001713157414 1418343109 /nfs/dbraw/zinc/34/31/09/1418343109.db2.gz JANUVNFHEZLIPO-BPUTZDHNSA-N 1 0 336.501 2.882 10 10 EFCERO COCC1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)CCC1 ZINC001713164557 1418347250 /nfs/dbraw/zinc/34/72/50/1418347250.db2.gz OBRTWOVRYZBAIX-QAQDUYKDSA-N 1 0 346.471 2.557 10 10 EFCERO CCCc1cc(C(=O)NC[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)[nH]n1 ZINC001713329392 1418476244 /nfs/dbraw/zinc/47/62/44/1418476244.db2.gz JNUJXETULADIGN-AWEZNQCLSA-N 1 0 344.459 2.587 10 10 EFCERO COCCC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001713366930 1418494872 /nfs/dbraw/zinc/49/48/72/1418494872.db2.gz IFNASVQEEPZRHP-SJORKVTESA-N 1 0 334.460 2.557 10 10 EFCERO COCCC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001713366928 1418494993 /nfs/dbraw/zinc/49/49/93/1418494993.db2.gz IFNASVQEEPZRHP-IAGOWNOFSA-N 1 0 334.460 2.557 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)c2ccc(Cl)[nH]2)cc1C ZINC001714757712 1418627679 /nfs/dbraw/zinc/62/76/79/1418627679.db2.gz UFVCGGSVMLSIRB-UHFFFAOYSA-N 1 0 335.835 2.847 10 10 EFCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)c2nccs2)cc1C ZINC001716184485 1418715708 /nfs/dbraw/zinc/71/57/08/1418715708.db2.gz ZAANEMKMGGXOGE-ZDUSSCGKSA-N 1 0 333.457 2.758 10 10 EFCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)Cc1ccoc1 ZINC001716213830 1418725150 /nfs/dbraw/zinc/72/51/50/1418725150.db2.gz ISTPRIBSFHOKIS-UHFFFAOYSA-N 1 0 330.428 2.777 10 10 EFCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)c2ccc(C)n2C)cc1C ZINC001716267870 1418749530 /nfs/dbraw/zinc/74/95/30/1418749530.db2.gz HLTPDNNASOQEBU-AATRIKPKSA-N 1 0 341.455 2.726 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)CCc2ccoc2)cc1C ZINC001716392115 1418869931 /nfs/dbraw/zinc/86/99/31/1418869931.db2.gz UIBHRKQNZKDGJB-OAHLLOKOSA-N 1 0 330.428 2.824 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](NC(=O)Cc2ccc[nH]2)C2CC2)cc1C ZINC001716630688 1418929938 /nfs/dbraw/zinc/92/99/38/1418929938.db2.gz CRPFCWCHSLNSPD-SFHVURJKSA-N 1 0 341.455 2.559 10 10 EFCERO CC(C)C[NH2+]C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001716630739 1418929943 /nfs/dbraw/zinc/92/99/43/1418929943.db2.gz DTTJEMJFZCSCPS-HNNXBMFYSA-N 1 0 331.420 2.603 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3CCC3(F)F)CC2)cc1C ZINC001716684628 1418957495 /nfs/dbraw/zinc/95/74/95/1418957495.db2.gz WLVNWNMOSFQAKZ-AWEZNQCLSA-N 1 0 338.398 2.787 10 10 EFCERO CC(C)[NH2+]C[C@]1(C)CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001716881072 1419072260 /nfs/dbraw/zinc/07/22/60/1419072260.db2.gz AEYRKFROHXLUQG-KRWDZBQOSA-N 1 0 331.420 2.699 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)c3cc(C)no3)CCC2)cc1C ZINC001717147118 1419237440 /nfs/dbraw/zinc/23/74/40/1419237440.db2.gz HDGMKBYYXVYKTI-UHFFFAOYSA-N 1 0 343.427 2.742 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)c3conc3C)CCC2)cc1C ZINC001717158181 1419242452 /nfs/dbraw/zinc/24/24/52/1419242452.db2.gz NSIXRXGQWXDZNL-UHFFFAOYSA-N 1 0 343.427 2.742 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)Cc3ccc[nH]3)CCC2)cc1C ZINC001717163483 1419244181 /nfs/dbraw/zinc/24/41/81/1419244181.db2.gz ZVUZNCDTHXJRPJ-UHFFFAOYSA-N 1 0 341.455 2.703 10 10 EFCERO CC/C=C(/C)C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001717165629 1419244811 /nfs/dbraw/zinc/24/48/11/1419244811.db2.gz BHIGMHACWNZHNM-HMMSMWIJSA-N 1 0 346.471 2.677 10 10 EFCERO CCOCC(=O)N(C)C1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001717443959 1419395785 /nfs/dbraw/zinc/39/57/85/1419395785.db2.gz AOCVLVFBKVSZJP-UHFFFAOYSA-N 1 0 348.487 2.899 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2c[nH]cc2C)cc1C ZINC001717753382 1419535854 /nfs/dbraw/zinc/53/58/54/1419535854.db2.gz CTXCIFGLZRYEDC-OAHLLOKOSA-N 1 0 329.444 2.890 10 10 EFCERO CN(CCC[NH2+]C/C=C\Cl)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001723204942 1424451586 /nfs/dbraw/zinc/45/15/86/1424451586.db2.gz KUJSTZBQYAOCMB-SZDWEJORSA-N 1 0 337.811 2.653 10 10 EFCERO CC1CC(C[NH2+]C2(CNC(=O)c3ccc(N=NC(N)=O)cc3)CC2)C1 ZINC001723594871 1424527779 /nfs/dbraw/zinc/52/77/79/1424527779.db2.gz JCBMKRZJDXJDHW-UHFFFAOYSA-N 1 0 343.431 2.747 10 10 EFCERO C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1C[NH2+]CCCF ZINC001724610567 1424830476 /nfs/dbraw/zinc/83/04/76/1424830476.db2.gz VFFYTXCXUGWOJV-OCCSQVGLSA-N 1 0 349.410 2.506 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)c3ccn(C)c3)CCC2)cc1C ZINC001724785326 1425013474 /nfs/dbraw/zinc/01/34/74/1425013474.db2.gz YEFCXVXXAHRQIH-UHFFFAOYSA-N 1 0 341.455 2.784 10 10 EFCERO CCCCC(=O)N1CCO[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001724807637 1425025488 /nfs/dbraw/zinc/02/54/88/1425025488.db2.gz PNAOTLHKNZLPCK-QGZVFWFLSA-N 1 0 334.460 2.511 10 10 EFCERO CCOCCC(=O)N1CCC(C)([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001724952226 1425160620 /nfs/dbraw/zinc/16/06/20/1425160620.db2.gz HULFAFZLDDOOGX-UHFFFAOYSA-N 1 0 348.487 2.901 10 10 EFCERO CC[NH2+][C@H](CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1)C(C)C ZINC001725212070 1425381511 /nfs/dbraw/zinc/38/15/11/1425381511.db2.gz GKAZCVUZQTYVQS-OAHLLOKOSA-N 1 0 333.436 2.945 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CCCOCC2)cc1C ZINC001725487205 1425614269 /nfs/dbraw/zinc/61/42/69/1425614269.db2.gz UVIDDOCHNYTOHJ-SJLPKXTDSA-N 1 0 348.487 2.757 10 10 EFCERO C[C@@H]1C[C@@H]([NH2+]C/C=C\Cl)CN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001725580873 1425665034 /nfs/dbraw/zinc/66/50/34/1425665034.db2.gz ADKSOIOVYHVDBR-DHJOAMNBSA-N 1 0 349.822 2.794 10 10 EFCERO CCc1nnc(N(C)Cc2ccccc2O)n1C[C@H](C1CC1)[NH+](C)C ZINC001727507757 1426301759 /nfs/dbraw/zinc/30/17/59/1426301759.db2.gz UOSVMNLNUFCKEM-MRXNPFEDSA-N 1 0 343.475 2.523 10 10 EFCERO COCc1ccccc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000079721052 713877661 /nfs/dbraw/zinc/87/76/61/713877661.db2.gz YIGJQEYFPKBTQY-UHFFFAOYSA-N 1 0 326.440 2.959 10 10 EFCERO CC[C@@H]1C[N@H+](Cc2cc(OC)c(OC)cc2O)CCN1CC(F)F ZINC000160523691 714258905 /nfs/dbraw/zinc/25/89/05/714258905.db2.gz QVAGEKUKXRAGBB-CYBMUJFWSA-N 1 0 344.402 2.571 10 10 EFCERO Cc1cc(C[NH2+][C@H]2c3ccccc3OC[C@H]2CO)ccc1N(C)C ZINC000934212228 715259798 /nfs/dbraw/zinc/25/97/98/715259798.db2.gz QCJCFWFDSJIDBW-OXQOHEQNSA-N 1 0 326.440 2.893 10 10 EFCERO CCC[C@H](C(=O)NC1CCN(c2ccc(OC)cc2)CC1)[NH+](C)C ZINC000161940910 716430798 /nfs/dbraw/zinc/43/07/98/716430798.db2.gz UGGKJLOMFWOCCS-GOSISDBHSA-N 1 0 333.476 2.511 10 10 EFCERO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000027762760 716911724 /nfs/dbraw/zinc/91/17/24/716911724.db2.gz GAODCZORWYJNBQ-CQSZACIVSA-N 1 0 340.427 2.855 10 10 EFCERO COc1ccc(N2CCC[N@H+](CCNC(=O)OC(C)(C)C)CC2)cc1 ZINC000176955951 717322422 /nfs/dbraw/zinc/32/24/22/717322422.db2.gz TWJKZBHXGSKMSB-UHFFFAOYSA-N 1 0 349.475 2.732 10 10 EFCERO C[N@H+](Cc1cc(Br)ccc1O)[C@H]1CN2CCC1CC2 ZINC000311399101 718671792 /nfs/dbraw/zinc/67/17/92/718671792.db2.gz FHQVTWUFEOFSQR-AWEZNQCLSA-N 1 0 325.250 2.681 10 10 EFCERO Cc1ccnc(N)c1C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000893879024 720138721 /nfs/dbraw/zinc/13/87/21/720138721.db2.gz BYIWJPAKYNOYPT-MRXNPFEDSA-N 1 0 327.428 2.859 10 10 EFCERO COC(=O)c1c(C[NH+]2CCC([C@@H](C)O)CC2)c2cc(F)ccc2n1C ZINC000893993672 720200499 /nfs/dbraw/zinc/20/04/99/720200499.db2.gz DWAKBRKFMNPXHN-GFCCVEGCSA-N 1 0 348.418 2.697 10 10 EFCERO CCOC[C@H]1CC[N@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)OC)C1 ZINC000894084006 720264399 /nfs/dbraw/zinc/26/43/99/720264399.db2.gz NEWLODDNGZYFNG-ZDUSSCGKSA-N 1 0 348.418 2.962 10 10 EFCERO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3COCC3(C)C)cc2F)C[C@H](C)O1 ZINC000894192894 721187626 /nfs/dbraw/zinc/18/76/26/721187626.db2.gz JHNROWJPSJQMIW-QWQRMKEZSA-N 1 0 336.451 2.954 10 10 EFCERO COC(=O)c1c(C[NH2+]C[C@H]2CCCCO2)c2cc(F)ccc2n1C ZINC000894204213 721198761 /nfs/dbraw/zinc/19/87/61/721198761.db2.gz JRRDJWLWQJBLPE-CYBMUJFWSA-N 1 0 334.391 2.763 10 10 EFCERO CC[C@H](C)[C@@H](O)C[NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894250446 721740572 /nfs/dbraw/zinc/74/05/72/721740572.db2.gz JRSPLLQLVYFROB-ZBEGNZNMSA-N 1 0 336.407 2.601 10 10 EFCERO COC(=O)c1c(C[NH2+]C[C@@H]2CCOC[C@@H]2C)c2cc(F)ccc2n1C ZINC000894749186 722833687 /nfs/dbraw/zinc/83/36/87/722833687.db2.gz DMGLMEOMMRMMJO-STQMWFEESA-N 1 0 348.418 2.866 10 10 EFCERO COCC(C)(C)C[NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894842018 722888249 /nfs/dbraw/zinc/88/82/49/722888249.db2.gz OPDQRVWWJPSPGT-UHFFFAOYSA-N 1 0 336.407 2.866 10 10 EFCERO [O-]c1c(F)cc(F)cc1C[N@@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000894881450 722937343 /nfs/dbraw/zinc/93/73/43/722937343.db2.gz PHPDZLXOOVMZQF-MAUKXSAKSA-N 1 0 337.341 2.970 10 10 EFCERO CCC1(C[NH2+]Cc2c3cc(F)ccc3n(C)c2C(=O)OC)COC1 ZINC000894918001 723028021 /nfs/dbraw/zinc/02/80/21/723028021.db2.gz ROYFNAHRROWTNM-UHFFFAOYSA-N 1 0 334.391 2.620 10 10 EFCERO [NH3+][C@H]1CC[C@H](N(Cc2cc3c(cc2O)OCO3)c2ccccn2)CC1 ZINC000895112849 723325789 /nfs/dbraw/zinc/32/57/89/723325789.db2.gz YLQITLJRCXIKQL-SHTZXODSSA-N 1 0 341.411 2.792 10 10 EFCERO C[C@H]1C[C@H](N(C)C(=O)c2cc3cc(O)c(O)cc3s2)CC[N@@H+]1C ZINC000896624221 723406005 /nfs/dbraw/zinc/40/60/05/723406005.db2.gz UFSAIAMEKXWARB-CMPLNLGQSA-N 1 0 334.441 2.867 10 10 EFCERO COc1cc(C)cc(C[NH2+]C[C@]2(CO)CCc3ccccc32)c1O ZINC000895133263 723416542 /nfs/dbraw/zinc/41/65/42/723416542.db2.gz HTCZASGVAIOFEG-FQEVSTJZSA-N 1 0 327.424 2.675 10 10 EFCERO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000896749119 723461904 /nfs/dbraw/zinc/46/19/04/723461904.db2.gz PIQKRWJREHTHGT-LBPRGKRZSA-N 1 0 334.441 2.869 10 10 EFCERO COc1cc(C)cc(C[NH2+][C@@H]2CCCc3c2ccc(=O)n3C)c1O ZINC000895152206 723473017 /nfs/dbraw/zinc/47/30/17/723473017.db2.gz YSMKTJHPMBRAPG-OAHLLOKOSA-N 1 0 328.412 2.575 10 10 EFCERO COc1ccc(N2CCN(CCC[NH2+]Cc3ccccc3)CC2)cc1 ZINC000237272763 723558320 /nfs/dbraw/zinc/55/83/20/723558320.db2.gz GECPBXMZKDPWKN-UHFFFAOYSA-N 1 0 339.483 2.997 10 10 EFCERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCSc1nccs1 ZINC000154647077 728839715 /nfs/dbraw/zinc/83/97/15/728839715.db2.gz UTYLMJHXEDJAEZ-QWHCGFSZSA-N 1 0 340.518 2.503 10 10 EFCERO Cc1cc(O)c(C[NH2+]CCN2C[C@H]3CCCCN3C2=O)c(Cl)c1 ZINC000895345902 724054292 /nfs/dbraw/zinc/05/42/92/724054292.db2.gz PURMNJIQYLPLOP-CYBMUJFWSA-N 1 0 337.851 2.734 10 10 EFCERO COc1cc(C)cc(C[NH2+]C[C@@H]2c3ccccc3C(=O)N2C)c1O ZINC000895401792 724113023 /nfs/dbraw/zinc/11/30/23/724113023.db2.gz CAYZJSRCVBXZQF-MRXNPFEDSA-N 1 0 326.396 2.626 10 10 EFCERO COc1cc(C)cc(CNc2cnn(C3CC[NH+](C)CC3)c2)c1O ZINC000895440132 724134776 /nfs/dbraw/zinc/13/47/76/724134776.db2.gz OPWNWPNVNSXZSJ-UHFFFAOYSA-N 1 0 330.432 2.785 10 10 EFCERO CO[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000895576531 724201900 /nfs/dbraw/zinc/20/19/00/724201900.db2.gz PTBQBMQGLKNLNA-MRXNPFEDSA-N 1 0 344.377 2.676 10 10 EFCERO COc1cccc2c1CC[C@]2(CO)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000895633864 724227923 /nfs/dbraw/zinc/22/79/23/724227923.db2.gz HCTWJMNYFGPSOM-HXUWFJFHSA-N 1 0 343.423 2.641 10 10 EFCERO COc1cccc2c1CC[C@@]2(CO)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000895635878 724236143 /nfs/dbraw/zinc/23/61/43/724236143.db2.gz ZCNDQDDAEZNCCX-NRFANRHFSA-N 1 0 340.467 2.993 10 10 EFCERO Oc1ccc(Br)cc1C[NH+]1CCC2(CC1)COCCO2 ZINC000895695772 724267231 /nfs/dbraw/zinc/26/72/31/724267231.db2.gz GENMFEZVRKMDRK-UHFFFAOYSA-N 1 0 342.233 2.536 10 10 EFCERO CC[NH+]1CCC(CNC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000895857984 724355193 /nfs/dbraw/zinc/35/51/93/724355193.db2.gz JDFITXYJABWEBV-UHFFFAOYSA-N 1 0 334.441 2.774 10 10 EFCERO C[NH+](C)[C@H](CNC(=O)NCc1c(O)cccc1F)Cc1ccccc1 ZINC000913888721 725921567 /nfs/dbraw/zinc/92/15/67/725921567.db2.gz KQDNNJMUZISYEF-HNNXBMFYSA-N 1 0 345.418 2.503 10 10 EFCERO CN(CC1([NH+](C)C)CCC1)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897505819 726351502 /nfs/dbraw/zinc/35/15/02/726351502.db2.gz YPDAOFBTLQKXLW-UHFFFAOYSA-N 1 0 334.441 2.869 10 10 EFCERO O=C([C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCC3)C1)N1CCCC1 ZINC000732189654 727002631 /nfs/dbraw/zinc/00/26/31/727002631.db2.gz FXYHEBRESREOPV-QGZVFWFLSA-N 1 0 328.456 2.715 10 10 EFCERO O=C1CCCCN1[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000732798866 727234369 /nfs/dbraw/zinc/23/43/69/727234369.db2.gz PFXBMEKBDNYRGM-SFHVURJKSA-N 1 0 328.456 2.858 10 10 EFCERO COc1ccc(N2CCN(C[C@H]3COc4ccccc4O3)CC2)cc1 ZINC000916144105 727660577 /nfs/dbraw/zinc/66/05/77/727660577.db2.gz AGZSKEJTZCHMDW-SFHVURJKSA-N 1 0 340.423 2.657 10 10 EFCERO COc1ccc(N2CCN(C[C@@H]3COc4ccccc4O3)CC2)cc1 ZINC000916144104 727660637 /nfs/dbraw/zinc/66/06/37/727660637.db2.gz AGZSKEJTZCHMDW-GOSISDBHSA-N 1 0 340.423 2.657 10 10 EFCERO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCCCC[C@@H]1CC)cc2=O ZINC000150737148 727717313 /nfs/dbraw/zinc/71/73/13/727717313.db2.gz BDWQFJDBSYYWHP-AWEZNQCLSA-N 1 0 346.431 2.766 10 10 EFCERO COc1cc(C[N@@H+]2CCC[C@H](NC(C)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000164139456 727915906 /nfs/dbraw/zinc/91/59/06/727915906.db2.gz QJEINWQLBLMUMM-HNNXBMFYSA-N 1 0 334.460 2.799 10 10 EFCERO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000164232143 727922221 /nfs/dbraw/zinc/92/22/21/727922221.db2.gz VBXSNNUQTPANIG-HNNXBMFYSA-N 1 0 334.460 2.838 10 10 EFCERO Cc1cc(C)n(C[C@H]2C[N@H+](Cc3cc(C)cc(C)c3O)CCO2)n1 ZINC000164386436 727937478 /nfs/dbraw/zinc/93/74/78/727937478.db2.gz NWICOKRNYBMLLH-GOSISDBHSA-N 1 0 329.444 2.723 10 10 EFCERO Cc1noc([C@H](C)N2CC[NH+](Cc3cc(C)cc(C)c3O)CC2)n1 ZINC000164379946 727937971 /nfs/dbraw/zinc/93/79/71/727937971.db2.gz YAMFNVCYCYUMQD-AWEZNQCLSA-N 1 0 330.432 2.579 10 10 EFCERO COc1cc(C)cc(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)c1O ZINC000164469379 727948796 /nfs/dbraw/zinc/94/87/96/727948796.db2.gz NWIWSSBIIRSEPA-QGZVFWFLSA-N 1 0 335.444 2.869 10 10 EFCERO C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(N3CC=CC3)cc2)CC[N@@H+]1C ZINC000175227456 729487180 /nfs/dbraw/zinc/48/71/80/729487180.db2.gz AXIABHOAUQEEBO-APWZRJJASA-N 1 0 342.487 2.687 10 10 EFCERO C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(N3CC=CC3)cc2)CC[N@@H+]1C ZINC000175227420 729487236 /nfs/dbraw/zinc/48/72/36/729487236.db2.gz AXIABHOAUQEEBO-VQIMIIECSA-N 1 0 342.487 2.687 10 10 EFCERO CCN(CC)C(=O)[C@@H]1CCCN1Cc1cc(F)cc(C(C)=O)c1O ZINC000175670928 729516859 /nfs/dbraw/zinc/51/68/59/729516859.db2.gz YRCPFDMXQGKCRS-INIZCTEOSA-N 1 0 336.407 2.567 10 10 EFCERO C[NH+](C)C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1 ZINC000180894099 729772062 /nfs/dbraw/zinc/77/20/62/729772062.db2.gz VPEPOLUWYVOGLR-SOGBHIHOSA-N 1 0 326.396 2.530 10 10 EFCERO CC[NH2+]C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1CCCC1 ZINC001569613671 1085439176 /nfs/dbraw/zinc/43/91/76/1085439176.db2.gz IAIMMJYDZPBODI-OAHLLOKOSA-N 1 0 331.420 2.747 10 10 EFCERO CCC[NH2+]CC[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001570024186 1085871767 /nfs/dbraw/zinc/87/17/67/1085871767.db2.gz LTURQEFSBMOHSS-ZDUSSCGKSA-N 1 0 331.420 2.701 10 10 EFCERO CC/C(C)=C/C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001570138807 1085973948 /nfs/dbraw/zinc/97/39/48/1085973948.db2.gz COMCUDPQWNPXOU-KAPURRDVSA-N 1 0 346.471 2.677 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)Cc2ccco2)cc1C ZINC001570471192 1086262380 /nfs/dbraw/zinc/26/23/80/1086262380.db2.gz OZENXMLDZWFIMR-HNNXBMFYSA-N 1 0 330.428 2.824 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2ccns2)cc1C ZINC001570608845 1086404876 /nfs/dbraw/zinc/40/48/76/1086404876.db2.gz UBJCXPPQDXXEMN-CHWSQXEVSA-N 1 0 333.457 2.757 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2nc(C)oc2C)cc1C ZINC001570641007 1086428709 /nfs/dbraw/zinc/42/87/09/1086428709.db2.gz IATZKCCSMQTFSY-STQMWFEESA-N 1 0 345.443 2.905 10 10 EFCERO COc1ccc(C[NH2+]CC2(NC(=O)[C@H](C)OC)CCCCC2)cc1C ZINC001570793345 1086521792 /nfs/dbraw/zinc/52/17/92/1086521792.db2.gz MNJBNENBQHKFMH-INIZCTEOSA-N 1 0 348.487 2.947 10 10 EFCERO C[C@H](F)CC[NH2+]C[C@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001571203560 1086675919 /nfs/dbraw/zinc/67/59/19/1086675919.db2.gz LKWIQRORIFWDKP-HUBLWGQQSA-N 1 0 349.410 2.695 10 10 EFCERO CCOCCCC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@H]1C ZINC001571451037 1086813011 /nfs/dbraw/zinc/81/30/11/1086813011.db2.gz NQZZXOXWTJVNBX-AEFFLSMTSA-N 1 0 348.487 2.899 10 10 EFCERO COCCCCC(=O)N1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@H]1C ZINC001571473502 1086852287 /nfs/dbraw/zinc/85/22/87/1086852287.db2.gz RJGBZMZYEZNZFP-AEFFLSMTSA-N 1 0 348.487 2.899 10 10 EFCERO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001648054515 1089936949 /nfs/dbraw/zinc/93/69/49/1089936949.db2.gz XXHZRTSEVSAWSU-NWDGAFQWSA-N 1 0 329.356 2.978 10 10 EFCERO COc1ccc(N2CC[NH+](C[C@H](O)CC3CCCC3)CC2)c(OC)c1 ZINC001648084602 1089940320 /nfs/dbraw/zinc/94/03/20/1089940320.db2.gz WUJLWTQEZRGFOL-QGZVFWFLSA-N 1 0 348.487 2.767 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2cc(C3CC3)no2)cc1C ZINC001266976250 1092226530 /nfs/dbraw/zinc/22/65/30/1092226530.db2.gz UHCYNXULUXBKDB-ZDUSSCGKSA-N 1 0 343.427 2.777 10 10 EFCERO CCC1(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)CCOCC1 ZINC001266982090 1092245513 /nfs/dbraw/zinc/24/55/13/1092245513.db2.gz XFOIBOXBVHJIOM-MRXNPFEDSA-N 1 0 348.487 2.805 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)Cc2cscn2)cc1C ZINC001649439665 1092464117 /nfs/dbraw/zinc/46/41/17/1092464117.db2.gz BCAQQDDLLRYXMR-AWEZNQCLSA-N 1 0 347.484 2.687 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2cncc(F)c2)cc1C ZINC001267125032 1092833810 /nfs/dbraw/zinc/83/38/10/1092833810.db2.gz CZKRCYFWCGBIGG-CQSZACIVSA-N 1 0 345.418 2.836 10 10 EFCERO CCc1ncoc1C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267144908 1092903397 /nfs/dbraw/zinc/90/33/97/1092903397.db2.gz JETJAYMUADPWCF-CQSZACIVSA-N 1 0 345.443 2.852 10 10 EFCERO C[C@H](Cc1cccs1)[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC001167609574 1093085775 /nfs/dbraw/zinc/08/57/75/1093085775.db2.gz WRHWZOKXVJUGME-OAHLLOKOSA-N 1 0 345.512 2.993 10 10 EFCERO CCN(CCC[NH+](C)C)c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000588557572 1093180231 /nfs/dbraw/zinc/18/02/31/1093180231.db2.gz RQTBQGONKRJLCW-NTMALXAHSA-N 1 0 335.404 2.559 10 10 EFCERO O=C(NCc1cc(O)ccc1O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001593872902 1094412133 /nfs/dbraw/zinc/41/21/33/1094412133.db2.gz FZZBINYPGZRSQJ-GOSISDBHSA-N 1 0 340.423 2.769 10 10 EFCERO Cc1cc(Br)cc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c1O ZINC000690797455 1094461681 /nfs/dbraw/zinc/46/16/81/1094461681.db2.gz AKWDPLQITPZEGZ-AAEUAGOBSA-N 1 0 326.234 2.931 10 10 EFCERO CC(C)C[N@@H+]1CC[C@@H](CCNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001267605151 1094471387 /nfs/dbraw/zinc/47/13/87/1094471387.db2.gz MVDDHUFZLINJEY-CQSZACIVSA-N 1 0 345.447 2.947 10 10 EFCERO C[N@H+](CCNC(=O)c1ccc(N=NC(N)=O)cc1)CC1CCCC1 ZINC001480954602 1094946342 /nfs/dbraw/zinc/94/63/42/1094946342.db2.gz FIAZFWPDXCONOR-UHFFFAOYSA-N 1 0 331.420 2.701 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)c2ccncc2)cc1C ZINC001268051878 1095002387 /nfs/dbraw/zinc/00/23/87/1095002387.db2.gz UEVFBVMAXUBJDS-HNNXBMFYSA-N 1 0 327.428 2.649 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](OC)C2CCC2)cc1C ZINC001268075967 1095183931 /nfs/dbraw/zinc/18/39/31/1095183931.db2.gz OWJCLEDLCHVQBQ-KXBFYZLASA-N 1 0 348.487 2.755 10 10 EFCERO CCCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001481696965 1096321571 /nfs/dbraw/zinc/32/15/71/1096321571.db2.gz OBYVYZMMRCNCOP-HNNXBMFYSA-N 1 0 331.420 2.843 10 10 EFCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)c2cccnc2)cc1C ZINC001268340386 1096358162 /nfs/dbraw/zinc/35/81/62/1096358162.db2.gz RLTJHCZKIQWDQR-HNNXBMFYSA-N 1 0 327.428 2.697 10 10 EFCERO C[C@@H](CC[NH2+]CC1CC(C)C1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001268427176 1096582705 /nfs/dbraw/zinc/58/27/05/1096582705.db2.gz DBJHOIKEJAIKCT-MOKVOYLWSA-N 1 0 345.447 2.993 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)cc1C ZINC001482091023 1097256052 /nfs/dbraw/zinc/25/60/52/1097256052.db2.gz IHVROPTWTJOPHE-WKCGWZECSA-N 1 0 330.472 2.892 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)COC2CCCC2)cc1C ZINC001268678165 1097535183 /nfs/dbraw/zinc/53/51/83/1097535183.db2.gz BJHNQKQBZWYVSM-HNNXBMFYSA-N 1 0 334.460 2.557 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2[nH]c(C)cc2C)cc1C ZINC001268692630 1097545169 /nfs/dbraw/zinc/54/51/69/1097545169.db2.gz KGNZNBURXBNCKG-HNNXBMFYSA-N 1 0 329.444 2.857 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H](C)C(F)(F)F)cc1C ZINC001268700775 1097551882 /nfs/dbraw/zinc/55/18/82/1097551882.db2.gz TZOOXZLFNFUFEO-RYUDHWBXSA-N 1 0 332.366 2.796 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCCC[C@@H]2C[NH2+]CCF)cc1 ZINC001268771859 1097616374 /nfs/dbraw/zinc/61/63/74/1097616374.db2.gz UYVUAWGKHONUGM-HIFRSBDPSA-N 1 0 349.410 2.697 10 10 EFCERO C[C@H](F)CC[NH2+]CCCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001268964015 1097749594 /nfs/dbraw/zinc/74/95/94/1097749594.db2.gz DAEFFWDJHYAQAF-LBPRGKRZSA-N 1 0 337.399 2.649 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)C(C)(F)F)C2CC2)cc1C ZINC001269033587 1097797177 /nfs/dbraw/zinc/79/71/77/1097797177.db2.gz VKLQCRCIUOJUHJ-CQSZACIVSA-N 1 0 326.387 2.643 10 10 EFCERO CC[C@@H]1CCO[C@@H]1C(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001269428510 1098131737 /nfs/dbraw/zinc/13/17/37/1098131737.db2.gz ONXXQWNHNOLAHX-AEFFLSMTSA-N 1 0 346.471 2.557 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)c3ccsn3)CC2)cc1C ZINC001269432645 1098133045 /nfs/dbraw/zinc/13/30/45/1098133045.db2.gz KDSOZVUSOBWQRQ-UHFFFAOYSA-N 1 0 331.441 2.512 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)C3(C4CC4)CC3)CC2)cc1C ZINC001269432290 1098133122 /nfs/dbraw/zinc/13/31/22/1098133122.db2.gz AYEAHTWIWDLBJQ-UHFFFAOYSA-N 1 0 328.456 2.932 10 10 EFCERO CCOCC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@@H]1C ZINC001269907818 1098514042 /nfs/dbraw/zinc/51/40/42/1098514042.db2.gz TYHVMBJQOXLNJX-RDJZCZTQSA-N 1 0 334.460 2.509 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2C[C@@H]2C(F)F)cc1C ZINC001482280456 1098975508 /nfs/dbraw/zinc/97/55/08/1098975508.db2.gz RQGUFAJVCOWZBX-QEJZJMRPSA-N 1 0 340.414 2.841 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)CC2CCOCC2)cc1C ZINC001267982528 1099067854 /nfs/dbraw/zinc/06/78/54/1099067854.db2.gz VYTVZXWNWFINIY-HNNXBMFYSA-N 1 0 348.487 2.662 10 10 EFCERO CN(C)c1ccc([C@H](CNc2ncnc3c2CCC3)[NH+](C)C)cc1 ZINC001613042150 1099089663 /nfs/dbraw/zinc/08/96/63/1099089663.db2.gz CKLYVDCDPVVCEG-SFHVURJKSA-N 1 0 325.460 2.746 10 10 EFCERO CN(C)c1ccc(C[N@H+](CC[S@](=O)C(F)(F)F)C2CC2)cc1 ZINC001615219863 1099155590 /nfs/dbraw/zinc/15/55/90/1099155590.db2.gz SBJLIYZGBAOYDM-QFIPXVFZSA-N 1 0 334.407 2.986 10 10 EFCERO CC[C@@H]1C[C@H](C(=O)N(C)CC[NH2+]Cc2ccc(OC)c(C)c2)CCO1 ZINC001481302718 1099158095 /nfs/dbraw/zinc/15/80/95/1099158095.db2.gz RCZBPVNFAZEOLG-QZTJIDSGSA-N 1 0 348.487 2.757 10 10 EFCERO CC[C@H]1C[C@@H](C(=O)N(C)CC[NH2+]Cc2ccc(OC)c(C)c2)CCO1 ZINC001481302719 1099158750 /nfs/dbraw/zinc/15/87/50/1099158750.db2.gz RCZBPVNFAZEOLG-ROUUACIJSA-N 1 0 348.487 2.757 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)c2cc(Cl)no2)cc1C ZINC001481306433 1099196613 /nfs/dbraw/zinc/19/66/13/1099196613.db2.gz REJLPCCCYXLSDT-UHFFFAOYSA-N 1 0 337.807 2.507 10 10 EFCERO CC[C@H](CNC(=O)c1ccccn1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267793287 1099262070 /nfs/dbraw/zinc/26/20/70/1099262070.db2.gz MDWXPLNUDROHOK-MRXNPFEDSA-N 1 0 327.428 2.697 10 10 EFCERO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001618830331 1099321484 /nfs/dbraw/zinc/32/14/84/1099321484.db2.gz LTWKCNXEPIRBMW-CYBMUJFWSA-N 1 0 331.420 2.843 10 10 EFCERO Cc1cc(C[N@H+](CCN2CCOCC2)CC2CC2)ccc1N(C)C ZINC001620447242 1099353283 /nfs/dbraw/zinc/35/32/83/1099353283.db2.gz VPQUCKUOQJBTOU-UHFFFAOYSA-N 1 0 331.504 2.605 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CCc2ccon2)cc1C ZINC001482309071 1099368829 /nfs/dbraw/zinc/36/88/29/1099368829.db2.gz RZDDICSGVJXVKN-OAHLLOKOSA-N 1 0 345.443 2.561 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C2(C)CCOCC2)cc1C ZINC001482342260 1099697539 /nfs/dbraw/zinc/69/75/39/1099697539.db2.gz JYOSRUWFIUHWGC-MRXNPFEDSA-N 1 0 348.487 2.757 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)c2nccs2)cc1C ZINC001482344755 1099717829 /nfs/dbraw/zinc/71/78/29/1099717829.db2.gz PHUMNGVJLWGEBO-ZDUSSCGKSA-N 1 0 333.457 2.710 10 10 EFCERO O=C(Cc1ccc(O)c(O)c1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001628497821 1100108100 /nfs/dbraw/zinc/10/81/00/1100108100.db2.gz CUHVYYBANGLPID-HNNXBMFYSA-N 1 0 344.411 2.577 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2ccc(C)n2C)cc1C ZINC001270897164 1100148797 /nfs/dbraw/zinc/14/87/97/1100148797.db2.gz ZACLLAILRARLBM-MRXNPFEDSA-N 1 0 343.471 2.901 10 10 EFCERO COc1ccc(N(C)CCN(C)C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC001632048679 1100450016 /nfs/dbraw/zinc/45/00/16/1100450016.db2.gz FHPKQQABGQZYNO-WMZOPIPTSA-N 1 0 347.503 2.710 10 10 EFCERO COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC001632048678 1100450154 /nfs/dbraw/zinc/45/01/54/1100450154.db2.gz FHPKQQABGQZYNO-SJLPKXTDSA-N 1 0 347.503 2.710 10 10 EFCERO C[NH+](C)Cc1ccc(C(=O)NCCCSc2nccs2)cn1 ZINC001632807189 1100501917 /nfs/dbraw/zinc/50/19/17/1100501917.db2.gz PWWQLZKTMQKQLW-UHFFFAOYSA-N 1 0 336.486 2.512 10 10 EFCERO O=C(NCc1c(O)cccc1O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001635846827 1100683773 /nfs/dbraw/zinc/68/37/73/1100683773.db2.gz BSGSPROZUVCMPS-QGZVFWFLSA-N 1 0 340.423 2.769 10 10 EFCERO CC(C)[C@@H]1C[C@H]1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001635992352 1100691986 /nfs/dbraw/zinc/69/19/86/1100691986.db2.gz FJIVYMJAIACXEE-RCCFBDPRSA-N 1 0 332.492 2.699 10 10 EFCERO CN(C)c1ccc([C@H](CNC(=O)c2cc(F)ccc2O)[NH+](C)C)cc1 ZINC001637004473 1100750434 /nfs/dbraw/zinc/75/04/34/1100750434.db2.gz BYKKNLDNPOKSJA-KRWDZBQOSA-N 1 0 345.418 2.630 10 10 EFCERO Cc1cc(CNC(=O)NC[C@H]2CCC[N@H+]2C)c(C)n1-c1ccccc1 ZINC001637021738 1100752259 /nfs/dbraw/zinc/75/22/59/1100752259.db2.gz WRKZKBWOKOPCFR-LJQANCHMSA-N 1 0 340.471 2.988 10 10 EFCERO CN(Cc1ccc(N2CCCC2)cc1)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC001637380927 1100777695 /nfs/dbraw/zinc/77/76/95/1100777695.db2.gz ZBGLAISSBVNQGS-SFHVURJKSA-N 1 0 330.476 2.522 10 10 EFCERO Cc1cc(C(=O)NOCC[NH+](C)C)c(C)n1-c1cc(C)cc(C)c1 ZINC001637993056 1100824273 /nfs/dbraw/zinc/82/42/73/1100824273.db2.gz OWKRFPBUIMKNBJ-UHFFFAOYSA-N 1 0 329.444 2.934 10 10 EFCERO CC[NH+]1CCN(c2cccc(NC(=O)c3cc(F)ccc3N)c2)CC1 ZINC001639084823 1100911475 /nfs/dbraw/zinc/91/14/75/1100911475.db2.gz JZLORSPGJKNLCI-UHFFFAOYSA-N 1 0 342.418 2.802 10 10 EFCERO C[NH+](C)Cc1c2ccccc2oc1C(=O)NCc1ccc(O)cc1O ZINC001639444747 1100949325 /nfs/dbraw/zinc/94/93/25/1100949325.db2.gz YDIBQZWFJGCSKZ-UHFFFAOYSA-N 1 0 340.379 2.836 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)NC2CC[NH+](C3CCC3)CC2)cc1 ZINC001640820893 1101081262 /nfs/dbraw/zinc/08/12/62/1101081262.db2.gz DNYUTJJOCLIJSX-UHFFFAOYSA-N 1 0 329.404 2.596 10 10 EFCERO C[NH+](C)Cc1ccnc(NC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001641348576 1101127458 /nfs/dbraw/zinc/12/74/58/1101127458.db2.gz FYAMOAJBFOJCCF-UHFFFAOYSA-N 1 0 326.360 2.558 10 10 EFCERO C[C@H]([NH2+]CCF)[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001482481028 1101261144 /nfs/dbraw/zinc/26/11/44/1101261144.db2.gz IJLRPRYCLHVWGZ-GXTWGEPZSA-N 1 0 349.410 2.649 10 10 EFCERO COC(=O)/C=C/c1ccc(N2CC[N@H+](C)[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC001643074860 1101268926 /nfs/dbraw/zinc/26/89/26/1101268926.db2.gz KGERELIRUMSVJG-DBWMJRBXSA-N 1 0 347.415 2.557 10 10 EFCERO COC(=O)/C=C/c1ccc(N(C)CC(C)(C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC001651495193 1101338419 /nfs/dbraw/zinc/33/84/19/1101338419.db2.gz OYZFIDXDLLFLLA-CSKARUKUSA-N 1 0 349.431 2.805 10 10 EFCERO c1ccc2c(c1)C[C@H](C[NH2+]Cc1ccc(N3CCOCC3)cc1)CO2 ZINC000066236307 1101385298 /nfs/dbraw/zinc/38/52/98/1101385298.db2.gz ZYIVHZFTSREVLS-GOSISDBHSA-N 1 0 338.451 2.864 10 10 EFCERO COc1ccc(N2CC[NH+](C[C@H](O)c3cccc(C)c3)CC2)cc1F ZINC001652873758 1101560248 /nfs/dbraw/zinc/56/02/48/1101560248.db2.gz LGQDHYQBINOEAG-IBGZPJMESA-N 1 0 344.430 2.998 10 10 EFCERO COC(=O)[C@H]1C[C@@H](C(F)(F)F)C[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC001654223075 1101696553 /nfs/dbraw/zinc/69/65/53/1101696553.db2.gz QDCOCLKPXBUHOU-UONOGXRCSA-N 1 0 344.377 2.926 10 10 EFCERO COc1ccc(N(C)CC[N@H+](C)C[C@H]2COc3ccccc3O2)cc1 ZINC001654947323 1101772309 /nfs/dbraw/zinc/77/23/09/1101772309.db2.gz JDAVOPXIJQVBPY-SFHVURJKSA-N 1 0 342.439 2.903 10 10 EFCERO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]2Cc2ccnn2C)c1O ZINC001655142320 1101787355 /nfs/dbraw/zinc/78/73/55/1101787355.db2.gz WLEVQHLAHDZYSA-INIZCTEOSA-N 1 0 331.391 2.675 10 10 EFCERO COc1ccc(C[NH2+][C@@H](CNC(=O)[C@H](F)C(C)C)C2CC2)cc1C ZINC001266427029 1102005256 /nfs/dbraw/zinc/00/52/56/1102005256.db2.gz SXJJVOYVKAPKKQ-FUHWJXTLSA-N 1 0 336.451 2.982 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)NC[C@H]2C[C@H]([NH2+]C/C=C/Cl)C2)cc1 ZINC001656240849 1102014533 /nfs/dbraw/zinc/01/45/33/1102014533.db2.gz HVEYEKHXIGWOAB-WBRZBCJNSA-N 1 0 349.822 2.700 10 10 EFCERO COC1CCN(c2ccc(C[N@@H+]3CCN4C[C@@H](F)C[C@H]4C3)cc2)CC1 ZINC001656384111 1102044717 /nfs/dbraw/zinc/04/47/17/1102044717.db2.gz GDUYNDHHVYOSPT-HKUYNNGSSA-N 1 0 347.478 2.530 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)c2[nH]c(C)cc2C)cc1C ZINC001266744469 1102081482 /nfs/dbraw/zinc/08/14/82/1102081482.db2.gz RTZHZZVOZKWBTE-UHFFFAOYSA-N 1 0 329.444 2.810 10 10 EFCERO C[N@H+](CCF)C[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001266475521 1102223043 /nfs/dbraw/zinc/22/30/43/1102223043.db2.gz HCNCYMNZWNFDLG-ZDUSSCGKSA-N 1 0 349.410 2.603 10 10 EFCERO CCC[N@H+](CC(=O)N1C[C@@H](C)OC(C)(C)C1)Cc1ccccc1O ZINC001657433979 1102382307 /nfs/dbraw/zinc/38/23/07/1102382307.db2.gz CLVFARUMGQCCJJ-OAHLLOKOSA-N 1 0 334.460 2.630 10 10 EFCERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2cc(C)no2)C(C)C)cc1C ZINC001482515282 1102505852 /nfs/dbraw/zinc/50/58/52/1102505852.db2.gz QFXAJDUBLKIOHN-INIZCTEOSA-N 1 0 345.443 2.844 10 10 EFCERO CN(C)c1ccc(C[N@@H+]2C[C@H]3COC[C@@]3(C(=O)OC(C)(C)C)C2)cc1 ZINC001659363831 1102535167 /nfs/dbraw/zinc/53/51/67/1102535167.db2.gz KRKKFEWRMJLRDJ-JXFKEZNVSA-N 1 0 346.471 2.543 10 10 EFCERO CC(C)[N@@H+](Cc1cc(Br)ccc1O)C[C@@H]1CCC(=O)N1 ZINC000840975096 1102639491 /nfs/dbraw/zinc/63/94/91/1102639491.db2.gz DBQUNGYEEOITSL-ZDUSSCGKSA-N 1 0 341.249 2.644 10 10 EFCERO CC(C)(C)OC(=O)NC1(C[NH2+]Cc2ccccc2O)CCOCC1 ZINC000697059107 1103020359 /nfs/dbraw/zinc/02/03/59/1103020359.db2.gz XNARMHVUXMVVOF-UHFFFAOYSA-N 1 0 336.432 2.556 10 10 EFCERO COc1ccc(C[NH2+][C@H](CNC(=O)[C@@H]2CCCCO2)C2CC2)cc1C ZINC001661122875 1103140001 /nfs/dbraw/zinc/14/00/01/1103140001.db2.gz YDRRCMVPDVEHCM-MJGOQNOKSA-N 1 0 346.471 2.557 10 10 EFCERO c1ccc([C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)N2CCOCC2)cc1 ZINC000077325687 1103200863 /nfs/dbraw/zinc/20/08/63/1103200863.db2.gz MULCNPOMJNAAEM-HXUWFJFHSA-N 1 0 338.451 2.785 10 10 EFCERO Oc1cc2c(cc1C[N@@H+]1CC[C@@]3(CC(F)(F)C3(F)F)C1)[C@@H](O)CO2 ZINC000905678818 1103492325 /nfs/dbraw/zinc/49/23/25/1103492325.db2.gz RBCQQAXFYYNYQW-GXTWGEPZSA-N 1 0 347.308 2.684 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2ncccc2C)cc1C ZINC001662189807 1103619560 /nfs/dbraw/zinc/61/95/60/1103619560.db2.gz LYABPZMWGFMYKQ-OAHLLOKOSA-N 1 0 327.428 2.615 10 10 EFCERO CC(C)[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CCC1CC1 ZINC001482571793 1103708035 /nfs/dbraw/zinc/70/80/35/1103708035.db2.gz OTUGQWQJQFHXPG-INIZCTEOSA-N 1 0 345.447 2.993 10 10 EFCERO COc1ccc(C[NH2+]CCCN(C)C(=O)c2cncs2)cc1C ZINC001483453666 1103746133 /nfs/dbraw/zinc/74/61/33/1103746133.db2.gz DDJSHVKWDLCQAR-UHFFFAOYSA-N 1 0 333.457 2.712 10 10 EFCERO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@H]2C[C@@H]2C(F)F)cc1C ZINC001483463581 1103760234 /nfs/dbraw/zinc/76/02/34/1103760234.db2.gz MOAPMUVJBRYMSB-GJZGRUSLSA-N 1 0 340.414 2.843 10 10 EFCERO COc1ccc(C[NH2+]CCCN(C)C(=O)c2nccs2)cc1C ZINC001483499601 1103839805 /nfs/dbraw/zinc/83/98/05/1103839805.db2.gz SFKSJHDDHJQFII-UHFFFAOYSA-N 1 0 333.457 2.712 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2ccsn2)cc1C ZINC001662935967 1103902287 /nfs/dbraw/zinc/90/22/87/1103902287.db2.gz ZXQOXQPHGCAYSP-CYBMUJFWSA-N 1 0 333.457 2.758 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)[C@H](C)SC)C2CC2)cc1C ZINC001483545263 1103919071 /nfs/dbraw/zinc/91/90/71/1103919071.db2.gz NLFORNHITKNXQX-XJKSGUPXSA-N 1 0 336.501 2.740 10 10 EFCERO CC/C=C/CC[NH2+]CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001664402829 1104381541 /nfs/dbraw/zinc/38/15/41/1104381541.db2.gz KJMHBOPZYRKPAS-WZPULVRGSA-N 1 0 331.420 2.867 10 10 EFCERO COc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)C[C@@H](C)OC)CC2)cc1C ZINC001666274908 1104916758 /nfs/dbraw/zinc/91/67/58/1104916758.db2.gz LJFYDZDIWBBFAW-KBAYOESNSA-N 1 0 348.487 2.946 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2ccns2)cc1C ZINC001666559055 1104962639 /nfs/dbraw/zinc/96/26/39/1104962639.db2.gz XFMKVRJBPRIPOZ-GFCCVEGCSA-N 1 0 333.457 2.616 10 10 EFCERO CCOCC(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CCCC1 ZINC001666737545 1104989873 /nfs/dbraw/zinc/98/98/73/1104989873.db2.gz AHMFFKSOTLLLOT-UHFFFAOYSA-N 1 0 334.460 2.559 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](CC(C)C)NC(=O)c2cnco2)cc1C ZINC001667095279 1105051346 /nfs/dbraw/zinc/05/13/46/1105051346.db2.gz DIXLZZJESNSYHW-INIZCTEOSA-N 1 0 345.443 2.926 10 10 EFCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)c2ccn(C)c2)cc1C ZINC001482823532 1105054758 /nfs/dbraw/zinc/05/47/58/1105054758.db2.gz JYECGNLBWDCXCF-HNNXBMFYSA-N 1 0 329.444 2.640 10 10 EFCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@]2(C)CCCOC2)cc1C ZINC001482884075 1105131725 /nfs/dbraw/zinc/13/17/25/1105131725.db2.gz UNUVBVXSZVPSOI-OXQOHEQNSA-N 1 0 348.487 2.805 10 10 EFCERO C[C@@H](F)CC[NH2+]CC[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001482903516 1105162628 /nfs/dbraw/zinc/16/26/28/1105162628.db2.gz PWOHVIMRPZRLSM-NEPJUHHUSA-N 1 0 337.399 2.695 10 10 EFCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)CC2CCOCC2)cc1C ZINC001668004007 1105218767 /nfs/dbraw/zinc/21/87/67/1105218767.db2.gz BELLUFPMQNULLD-MRXNPFEDSA-N 1 0 348.487 2.805 10 10 EFCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)c1cc(F)c[nH]1 ZINC001668497899 1105308354 /nfs/dbraw/zinc/30/83/54/1105308354.db2.gz OQXMMYYMVIEUOS-UHFFFAOYSA-N 1 0 333.407 2.723 10 10 EFCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCC2(F)F)cc1C ZINC001668877923 1105391004 /nfs/dbraw/zinc/39/10/04/1105391004.db2.gz SBHGHFLXZZILCZ-JZIMQPMSSA-N 1 0 338.398 2.811 10 10 EFCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)c2cocc2C)cc1C ZINC001668979541 1105410122 /nfs/dbraw/zinc/41/01/22/1105410122.db2.gz VPVJGVGTWYMORD-PLNGDYQASA-N 1 0 328.412 2.981 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)/C=C/c2ccc[nH]2)cc1C ZINC001669275518 1105468066 /nfs/dbraw/zinc/46/80/66/1105468066.db2.gz BWPBNBHGOIZSGP-LOWQCSRCSA-N 1 0 327.428 2.639 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2cn(C(C)C)cn2)cc1C ZINC001669360761 1105475646 /nfs/dbraw/zinc/47/56/46/1105475646.db2.gz CJVIHMUMHYLRHS-OAHLLOKOSA-N 1 0 344.459 2.689 10 10 EFCERO COc1cccc(C(=O)N[C@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)c1 ZINC001669454708 1105485137 /nfs/dbraw/zinc/48/51/37/1105485137.db2.gz WTBCZQGHYDPUME-OAHLLOKOSA-N 1 0 342.439 2.920 10 10 EFCERO CC[C@@H]1CC[C@H](C(=O)NC/C=C/C[NH2+]Cc2ccc(OC)c(C)c2)O1 ZINC001483015175 1105555998 /nfs/dbraw/zinc/55/59/98/1105555998.db2.gz FYMRXZAKUNOOLL-IBMJZYDUSA-N 1 0 346.471 2.723 10 10 EFCERO C[C@H]1CC[C@@H](CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001672371712 1105815177 /nfs/dbraw/zinc/81/51/77/1105815177.db2.gz YJWMIDYFDBOYCU-FUHWJXTLSA-N 1 0 344.503 2.674 10 10 EFCERO CC(C)C[NH2+]CC[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001672917684 1105938165 /nfs/dbraw/zinc/93/81/65/1105938165.db2.gz YJNPRSBGAPDXGW-CQSZACIVSA-N 1 0 345.447 2.947 10 10 EFCERO CCC[N@H+](CC)C[C@@H](C)NC(=O)NCc1cccc(Cl)c1O ZINC001673240132 1105988401 /nfs/dbraw/zinc/98/84/01/1105988401.db2.gz ZLJDPAOJUBFIIE-GFCCVEGCSA-N 1 0 327.856 2.965 10 10 EFCERO COCC(C)(C)C(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001673885087 1106097156 /nfs/dbraw/zinc/09/71/56/1106097156.db2.gz MLTBNFSLTZJTNT-WBVHZDCISA-N 1 0 348.487 2.613 10 10 EFCERO COC[C@H](C)C(=O)N1CCC(C)([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001673947119 1106108166 /nfs/dbraw/zinc/10/81/66/1106108166.db2.gz XXGRFFWBOGXOFV-INIZCTEOSA-N 1 0 348.487 2.757 10 10 EFCERO CCCCN(Cc1ccccc1O)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000842005933 1106166416 /nfs/dbraw/zinc/16/64/16/1106166416.db2.gz TVRGEICMKLHNKB-HNNXBMFYSA-N 1 0 341.402 2.701 10 10 EFCERO COc1ccc(C[NH2+]CC2CC(NC(=O)[C@@H](C)SC)C2)cc1C ZINC001674521205 1106212066 /nfs/dbraw/zinc/21/20/66/1106212066.db2.gz ZPQQFRVZESIYSP-IUDNXUCKSA-N 1 0 336.501 2.740 10 10 EFCERO CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC000925320951 1106382793 /nfs/dbraw/zinc/38/27/93/1106382793.db2.gz NJTMKDSYFBVJBE-QAPCUYQASA-N 1 0 332.492 2.767 10 10 EFCERO CCCCC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001675568663 1106386728 /nfs/dbraw/zinc/38/67/28/1106386728.db2.gz BNUBAPODNSFNOG-VQIMIIECSA-N 1 0 348.487 2.899 10 10 EFCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)c2cc(C)co2)cc1C ZINC001483048409 1106454591 /nfs/dbraw/zinc/45/45/91/1106454591.db2.gz RWFZGTQRKORERL-PLNGDYQASA-N 1 0 328.412 2.981 10 10 EFCERO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)c2oncc2C)cc1C ZINC001676002639 1106466815 /nfs/dbraw/zinc/46/68/15/1106466815.db2.gz WSZKKPIRYJYPFD-OAHLLOKOSA-N 1 0 345.443 2.988 10 10 EFCERO CCCOCC(=O)N1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@@H]1C ZINC001676710047 1106563102 /nfs/dbraw/zinc/56/31/02/1106563102.db2.gz UAHAYIIPMROCKV-DOTOQJQBSA-N 1 0 334.460 2.509 10 10 EFCERO CC[C@@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000926955218 1108258529 /nfs/dbraw/zinc/25/85/29/1108258529.db2.gz ZLOTVKIQFBVYGS-MRXNPFEDSA-N 1 0 326.506 2.864 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)c3cc[nH]c3C)CC2)cc1C ZINC001483724766 1108347248 /nfs/dbraw/zinc/34/72/48/1108347248.db2.gz CNPVURNQHPDTFO-UHFFFAOYSA-N 1 0 327.428 2.692 10 10 EFCERO C[NH+](C)[C@H](CNC(=O)NCc1c(O)cccc1F)c1cccs1 ZINC000905150155 1108460783 /nfs/dbraw/zinc/46/07/83/1108460783.db2.gz YLBIVFJFBYHTQB-CYBMUJFWSA-N 1 0 337.420 2.695 10 10 EFCERO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(Cl)cc1[O-] ZINC000927040820 1108707810 /nfs/dbraw/zinc/70/78/10/1108707810.db2.gz YPKXMXTYDMYYJL-SMHCIBLRSA-N 1 0 329.849 2.804 10 10 EFCERO CCc1c(C(=O)N[C@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)ccn1C ZINC001483166545 1109912580 /nfs/dbraw/zinc/91/25/80/1109912580.db2.gz JMWXXVSHMMWZFT-OAHLLOKOSA-N 1 0 343.471 2.813 10 10 EFCERO CCCOCC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@@H]1C ZINC001483899095 1112540933 /nfs/dbraw/zinc/54/09/33/1112540933.db2.gz OITKZABZWUXPMC-WMZOPIPTSA-N 1 0 348.487 2.899 10 10 EFCERO COCCCC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@@H]1C ZINC001483899595 1112541942 /nfs/dbraw/zinc/54/19/42/1112541942.db2.gz RNOLDARLYUDZCT-WMZOPIPTSA-N 1 0 348.487 2.899 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)C[C@@H](C)OC)cc1C ZINC001483923487 1112562922 /nfs/dbraw/zinc/56/29/22/1112562922.db2.gz ZZNUSLPAAUDBGO-WBVHZDCISA-N 1 0 334.460 2.509 10 10 EFCERO CCC[NH2+]C[C@@]1(C)CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001484127768 1112802054 /nfs/dbraw/zinc/80/20/54/1112802054.db2.gz GBSUHOCVJYNYNS-QGZVFWFLSA-N 1 0 331.420 2.701 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@H]3CCCOC3)CCC2)cc1C ZINC001484627122 1113076897 /nfs/dbraw/zinc/07/68/97/1113076897.db2.gz WKMLWUMTAREHML-KRWDZBQOSA-N 1 0 346.471 2.559 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)COC(C)(C)C)cc1C ZINC001485140976 1118093363 /nfs/dbraw/zinc/09/33/63/1118093363.db2.gz XXWKOZUIUXDNBZ-HUUCEWRRSA-N 1 0 336.476 2.802 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2ccn(C)c2C)cc1C ZINC001485190469 1118130821 /nfs/dbraw/zinc/13/08/21/1118130821.db2.gz POCNKYLJKXZGSO-LSDHHAIUSA-N 1 0 343.471 2.947 10 10 EFCERO COc1ccc(C[NH2+]CC(C)(C)CN(C)C(=O)c2ncc[nH]2)cc1C ZINC001485250730 1118167067 /nfs/dbraw/zinc/16/70/67/1118167067.db2.gz QABIQAPTWDSJLN-UHFFFAOYSA-N 1 0 344.459 2.615 10 10 EFCERO COc1cc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)c(O)c(C(C)(C)C)c1 ZINC000184274007 1118982432 /nfs/dbraw/zinc/98/24/32/1118982432.db2.gz RIKPZLGWMLBKSF-IBGZPJMESA-N 1 0 335.444 2.690 10 10 EFCERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)CC)cc1)CC2 ZINC000180629967 529751012 /nfs/dbraw/zinc/75/10/12/529751012.db2.gz UNXFUGRMYNQHAO-HOCLYGCPSA-N 1 0 327.476 2.962 10 10 EFCERO CC(C)C[N@H+](Cc1cc2c(cc1O)CCC2)[C@H]1CCS(=O)(=O)C1 ZINC000032888223 202239724 /nfs/dbraw/zinc/23/97/24/202239724.db2.gz QTWDCEXJKPRUMA-KRWDZBQOSA-N 1 0 337.485 2.526 10 10 EFCERO Cc1cc2n(n1)C[C@H](C[NH2+]Cc1ccc(N3CCCC3)cc1)CN2 ZINC000058314803 201141387 /nfs/dbraw/zinc/14/13/87/201141387.db2.gz MHBURQYEQKZGLP-QGZVFWFLSA-N 1 0 325.460 2.623 10 10 EFCERO Oc1ccc(Br)cc1CN1CCC[N@@H+](C2CC2)CC1 ZINC000179727680 239477247 /nfs/dbraw/zinc/47/72/47/239477247.db2.gz FYUALMZEIDABRI-UHFFFAOYSA-N 1 0 325.250 2.825 10 10 EFCERO CN1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)CC1=O ZINC000191665676 240001489 /nfs/dbraw/zinc/00/14/89/240001489.db2.gz NOXOJAVCIAJYFS-UHFFFAOYSA-N 1 0 340.423 2.635 10 10 EFCERO c1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc2c1OCO2 ZINC000022770189 212322968 /nfs/dbraw/zinc/32/29/68/212322968.db2.gz MRWRRAJGEDLCJA-UHFFFAOYSA-N 1 0 326.396 2.542 10 10 EFCERO O=C1[C@H]([NH2+]Cc2cc(F)ccc2O)CCN1Cc1ccc(F)cc1 ZINC000191807050 240009462 /nfs/dbraw/zinc/00/94/62/240009462.db2.gz DCUINHIIXIRFFC-MRXNPFEDSA-N 1 0 332.350 2.561 10 10 EFCERO C[C@@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1ccc(N(C)C)cc1 ZINC000193009978 240078541 /nfs/dbraw/zinc/07/85/41/240078541.db2.gz RQQYYGIWALONNB-WBVHZDCISA-N 1 0 325.460 2.862 10 10 EFCERO COc1cc(Br)cc(C[NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)c1O ZINC000249985692 240304058 /nfs/dbraw/zinc/30/40/58/240304058.db2.gz ZCWVSUBGXXASBS-YNEHKIRRSA-N 1 0 342.233 2.820 10 10 EFCERO C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@H]12)c1ccc(N2CCC(O)CC2)cc1 ZINC000252010564 240306098 /nfs/dbraw/zinc/30/60/98/240306098.db2.gz XNURKWRZPHVSMA-PSAKCFHXSA-N 1 0 330.472 2.866 10 10 EFCERO CN(Cc1ccccc1O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000247920087 240285472 /nfs/dbraw/zinc/28/54/72/240285472.db2.gz BREGTARULVIIMM-IEBWSBKVSA-N 1 0 339.439 2.979 10 10 EFCERO O=C1[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)CCN1Cc1ccc(F)cc1 ZINC000296270283 241080337 /nfs/dbraw/zinc/08/03/37/241080337.db2.gz CCROCXAULCWWJY-SJORKVTESA-N 1 0 340.398 2.909 10 10 EFCERO O=C([C@@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1)N1CCCCC1 ZINC000366661632 242360108 /nfs/dbraw/zinc/36/01/08/242360108.db2.gz DMZCHATYFIBPPW-MSOLQXFVSA-N 1 0 328.456 2.892 10 10 EFCERO CCN(CC)c1ccc(CNC(=O)N2CC[NH+]3CCC2CC3)cc1 ZINC000367415050 242379980 /nfs/dbraw/zinc/37/99/80/242379980.db2.gz JSHRNQXESCEFNW-UHFFFAOYSA-N 1 0 330.476 2.522 10 10 EFCERO CCOc1cccc(C[N@@H+]2CCCC[C@H]2CCS(C)(=O)=O)c1O ZINC000367834855 242393492 /nfs/dbraw/zinc/39/34/92/242393492.db2.gz WWKLCMBIIGZIOD-HNNXBMFYSA-N 1 0 341.473 2.580 10 10 EFCERO C[C@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000367998573 242398985 /nfs/dbraw/zinc/39/89/85/242398985.db2.gz UJUJOWKPJZPTBA-DZGCQCFKSA-N 1 0 344.434 2.594 10 10 EFCERO C[C@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1cc(F)ccc1O ZINC000185272318 473382838 /nfs/dbraw/zinc/38/28/38/473382838.db2.gz TYUNUTOIQZMULS-LBPRGKRZSA-N 1 0 349.381 2.753 10 10 EFCERO O[C@]1(c2ccc(F)cc2)CN2CCCSC2=[N+]1Cc1ccccc1 ZINC000003259128 471438457 /nfs/dbraw/zinc/43/84/57/471438457.db2.gz INRRFHYQVISBNN-IBGZPJMESA-N 1 0 343.447 2.992 10 10 EFCERO COc1ccc(C[C@H]2c3cc(O)c(O)cc3CC[N@H+]2C)cc1OC ZINC000005209054 471492689 /nfs/dbraw/zinc/49/26/89/471492689.db2.gz ZZYIFMUYXDOBLG-HNNXBMFYSA-N 1 0 329.396 2.887 10 10 EFCERO COc1cccc(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)c1O ZINC000006647560 471555837 /nfs/dbraw/zinc/55/58/37/471555837.db2.gz JAVKQHBPTMSNCB-UHFFFAOYSA-N 1 0 332.444 2.625 10 10 EFCERO Cc1nn(C)c(C)c1[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000076042662 472248922 /nfs/dbraw/zinc/24/89/22/472248922.db2.gz OWWKDEYEYPANDL-YLJYHZDGSA-N 1 0 341.455 2.839 10 10 EFCERO CCC[N@H+](CC(=O)N1CCO[C@H]2CCCC[C@@H]21)Cc1ccccc1O ZINC000068973622 472274653 /nfs/dbraw/zinc/27/46/53/472274653.db2.gz OFKGTMGHACXOSU-HKUYNNGSSA-N 1 0 346.471 2.774 10 10 EFCERO Cc1cnc(CC[N@@H+](C)Cc2cc(=O)oc3cc(O)c(O)cc23)s1 ZINC000097135220 472457792 /nfs/dbraw/zinc/45/77/92/472457792.db2.gz FCLUIPOJTKOZFD-UHFFFAOYSA-N 1 0 346.408 2.644 10 10 EFCERO C[C@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1ccc(N(C)C)cc1 ZINC000089732809 472495446 /nfs/dbraw/zinc/49/54/46/472495446.db2.gz FTQLNZSOBLYKCU-DOTOQJQBSA-N 1 0 325.460 2.862 10 10 EFCERO Cc1cc(O)c(C[N@@H+]2CCC[C@H](C(=O)Nc3nncs3)C2)cc1C ZINC000058416010 472566889 /nfs/dbraw/zinc/56/68/89/472566889.db2.gz GMJFXXJYLWKHAW-ZDUSSCGKSA-N 1 0 346.456 2.711 10 10 EFCERO CCOc1cccc(C[NH2+]CCN2CCc3ccccc3C2)c1O ZINC000058440397 472570225 /nfs/dbraw/zinc/57/02/25/472570225.db2.gz UIWDWYKXTNCQKJ-UHFFFAOYSA-N 1 0 326.440 2.939 10 10 EFCERO Cc1cc(C[C@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)[nH]n1 ZINC000090533739 472632251 /nfs/dbraw/zinc/63/22/51/472632251.db2.gz QHODLADBHXQLNY-DZGCQCFKSA-N 1 0 346.450 2.976 10 10 EFCERO CC[N@H+](C)C[C@H]1CCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000078583783 472738261 /nfs/dbraw/zinc/73/82/61/472738261.db2.gz QATWMYCEZLIPAU-PMGBHYCQSA-N 1 0 347.415 2.559 10 10 EFCERO CC[N@H+](C)C[C@@H]1CCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000078583779 472738289 /nfs/dbraw/zinc/73/82/89/472738289.db2.gz QATWMYCEZLIPAU-VFADXPBXSA-N 1 0 347.415 2.559 10 10 EFCERO CC(C)(C)OC[C@@H](O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000121053301 472790263 /nfs/dbraw/zinc/79/02/63/472790263.db2.gz CZRLFRIHJLDDMN-IRXDYDNUSA-N 1 0 337.460 2.549 10 10 EFCERO CN(C)c1ccc(CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)cc1F ZINC000106460906 472854632 /nfs/dbraw/zinc/85/46/32/472854632.db2.gz QLALDGLHFWCAHQ-IBGZPJMESA-N 1 0 343.446 2.681 10 10 EFCERO c1nn(-c2ccccc2)cc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000048710739 472902497 /nfs/dbraw/zinc/90/24/97/472902497.db2.gz FTWNUYMCRGCMOC-UHFFFAOYSA-N 1 0 348.450 2.999 10 10 EFCERO CCOc1cccc(C[N@@H+]2CCC[C@H](Cn3nc(C)nc3C)C2)c1O ZINC000121950792 472952321 /nfs/dbraw/zinc/95/23/21/472952321.db2.gz CHMYNFOOLQPZCK-INIZCTEOSA-N 1 0 344.459 2.911 10 10 EFCERO Cn1nccc1C1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000092810381 472988624 /nfs/dbraw/zinc/98/86/24/472988624.db2.gz JYLZJLYRGKTDLI-UHFFFAOYSA-N 1 0 340.471 2.636 10 10 EFCERO CCOc1cccc(C[N@@H+]2CCC[C@H](Cc3noc(C)n3)C2)c1O ZINC000092813954 472990239 /nfs/dbraw/zinc/99/02/39/472990239.db2.gz JWRIGFOVOKYPBT-CQSZACIVSA-N 1 0 331.416 2.937 10 10 EFCERO CCOc1ccc(O)c(C[NH+]2CCN(c3cc(OC)ccn3)CC2)c1 ZINC000093079247 473039621 /nfs/dbraw/zinc/03/96/21/473039621.db2.gz CNANQHQVEPDIOC-UHFFFAOYSA-N 1 0 343.427 2.517 10 10 EFCERO CCOc1ccc(O)c(C[NH+]2CCC(N(C)c3cccnn3)CC2)c1 ZINC000093272711 473072422 /nfs/dbraw/zinc/07/24/22/473072422.db2.gz SNTHCXJLGCAMGO-UHFFFAOYSA-N 1 0 342.443 2.682 10 10 EFCERO CN(C)c1ccc(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1F ZINC000075315194 473166180 /nfs/dbraw/zinc/16/61/80/473166180.db2.gz JKRPKYVKCOVKMU-MQVJKMGUSA-N 1 0 348.466 2.706 10 10 EFCERO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCN3C)C12CCOCC2 ZINC000185658081 473480815 /nfs/dbraw/zinc/48/08/15/473480815.db2.gz GGTSYCVLLOONDK-MOPGFXCFSA-N 1 0 330.472 2.743 10 10 EFCERO CCOc1cccc(C[NH2+][C@@H]2C[C@@H](OCC)C23CCOCC3)c1O ZINC000185671164 473485183 /nfs/dbraw/zinc/48/51/83/473485183.db2.gz RWOCLIGVWMFXQH-IAGOWNOFSA-N 1 0 335.444 2.855 10 10 EFCERO COc1ccc(N2CCCN(Cc3cn(C(C)(C)C)nn3)CC2)cc1 ZINC000191266773 473522413 /nfs/dbraw/zinc/52/24/13/473522413.db2.gz QSOZTQANLMTPBI-UHFFFAOYSA-N 1 0 343.475 2.754 10 10 EFCERO CCn1cc(C2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)cn1 ZINC000152182212 473533569 /nfs/dbraw/zinc/53/35/69/473533569.db2.gz OKOGXNWEPASDEQ-UHFFFAOYSA-N 1 0 329.400 2.717 10 10 EFCERO CC(C)Oc1ccc(N(C)C[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000191596761 473559129 /nfs/dbraw/zinc/55/91/29/473559129.db2.gz QYVJWJMQAGJPNE-HNNXBMFYSA-N 1 0 340.489 2.582 10 10 EFCERO Cc1noc(CC[NH2+][C@H](C)c2cc(Br)ccc2O)n1 ZINC000185971850 473562028 /nfs/dbraw/zinc/56/20/28/473562028.db2.gz GFTTWCJZMLINKG-MRVPVSSYSA-N 1 0 326.194 2.739 10 10 EFCERO CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2cc(F)ccc2O)ncn1 ZINC000185992802 473566719 /nfs/dbraw/zinc/56/67/19/473566719.db2.gz CHAABBZZFHZYMI-OCCSQVGLSA-N 1 0 345.422 2.683 10 10 EFCERO Cc1noc([C@H](C)N2CC[NH+](Cc3cc(C)c(C)cc3O)CC2)n1 ZINC000152633035 473584075 /nfs/dbraw/zinc/58/40/75/473584075.db2.gz HMJXIVWVZDBRTJ-AWEZNQCLSA-N 1 0 330.432 2.579 10 10 EFCERO CCNC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc3c(cc2O)CCCC3)C1 ZINC000186110062 473593399 /nfs/dbraw/zinc/59/33/99/473593399.db2.gz GUEPHLZWTXWGPB-CJNGLKHVSA-N 1 0 331.460 2.725 10 10 EFCERO C[C@H]([NH2+]C[C@H]1C[C@H](O)CN1Cc1ccccc1)c1cc(F)ccc1O ZINC000186194214 473612481 /nfs/dbraw/zinc/61/24/81/473612481.db2.gz XMOOGNAOKSDDGE-QGTPRVQTSA-N 1 0 344.430 2.817 10 10 EFCERO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCc3nnc(C(C)C)n3C2)c1 ZINC000186293436 473639818 /nfs/dbraw/zinc/63/98/18/473639818.db2.gz FWKDEFFAZYCYEM-OLZOCXBDSA-N 1 0 330.432 2.781 10 10 EFCERO COc1ccc(O)c(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)c1 ZINC000179590648 473697060 /nfs/dbraw/zinc/69/70/60/473697060.db2.gz JRFMUSUOYMAEMP-UHFFFAOYSA-N 1 0 332.444 2.625 10 10 EFCERO Cc1cc(Cl)cc(C[N@@H+](C)C[C@@H](O)COCCOC(C)C)c1O ZINC000179847068 473741373 /nfs/dbraw/zinc/74/13/73/473741373.db2.gz PCBSTWRJFWFEPU-MRXNPFEDSA-N 1 0 345.867 2.588 10 10 EFCERO C[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@@H]1N1CCOCC1 ZINC000180225295 473831982 /nfs/dbraw/zinc/83/19/82/473831982.db2.gz SJZXBWLPYVIPPW-NQIIRXRSSA-N 1 0 343.515 2.829 10 10 EFCERO O=C(c1ccccc1)N1CCC([NH2+]Cc2cc(F)ccc2O)CC1 ZINC000180411501 473871094 /nfs/dbraw/zinc/87/10/94/473871094.db2.gz QKLZNXPSJIKIQM-UHFFFAOYSA-N 1 0 328.387 2.926 10 10 EFCERO C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(N2CCCCC2)cc1 ZINC000180592128 473913328 /nfs/dbraw/zinc/91/33/28/473913328.db2.gz FYQLHDFPNGTLTO-DOTOQJQBSA-N 1 0 325.460 2.934 10 10 EFCERO CCN(CC)c1ccc(C[NH2+][C@@H](Cn2cncn2)C2CC2)cc1F ZINC000225408204 474210481 /nfs/dbraw/zinc/21/04/81/474210481.db2.gz STGLARLDCOSZAY-KRWDZBQOSA-N 1 0 331.439 2.832 10 10 EFCERO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccccc1O ZINC000189050515 474276686 /nfs/dbraw/zinc/27/66/86/474276686.db2.gz NFDZWFQFNQNICP-DYVFJYSZSA-N 1 0 328.387 2.983 10 10 EFCERO Cc1cc(Cl)cc(C[N@@H+]2CCOCC3(CCOCC3)C2)c1O ZINC000183268022 474363222 /nfs/dbraw/zinc/36/32/22/474363222.db2.gz SJKAOQSVYRQGEK-UHFFFAOYSA-N 1 0 325.836 2.983 10 10 EFCERO CCc1nnc([C@@H]2CN(Cc3cc(Cl)cc(C)c3O)CCO2)[nH]1 ZINC000183416433 474377945 /nfs/dbraw/zinc/37/79/45/474377945.db2.gz ITJFYCOBDAEOOJ-ZDUSSCGKSA-N 1 0 336.823 2.608 10 10 EFCERO COc1ccc(N2CCN(CC[NH2+][C@@H](C)c3ccncc3)CC2)cc1 ZINC000271062515 474392854 /nfs/dbraw/zinc/39/28/54/474392854.db2.gz HKCDJLYEAISZHK-KRWDZBQOSA-N 1 0 340.471 2.563 10 10 EFCERO COc1cc(O)c(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)cc1OC ZINC000271116651 474402483 /nfs/dbraw/zinc/40/24/83/474402483.db2.gz WIEBRZVHYMLFMJ-GFCCVEGCSA-N 1 0 337.416 2.573 10 10 EFCERO C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1ccc(N(C)C)cc1 ZINC000283457512 474408785 /nfs/dbraw/zinc/40/87/85/474408785.db2.gz VDNMBGBLHUMQQE-VDZJLULYSA-N 1 0 332.488 2.971 10 10 EFCERO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)c1 ZINC000283504582 474421785 /nfs/dbraw/zinc/42/17/85/474421785.db2.gz ZAWGEILAFDTFSH-IYOUNJFTSA-N 1 0 335.444 2.619 10 10 EFCERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(N2CCOCC2)cc1 ZINC000184054543 474466701 /nfs/dbraw/zinc/46/67/01/474466701.db2.gz FVGHXKLKLOFSPL-UYAOXDASSA-N 1 0 329.488 2.582 10 10 EFCERO COc1ccc(N2CC[NH+](CC3CCC4(CC3)OCCO4)CC2)cc1 ZINC000190170780 474559447 /nfs/dbraw/zinc/55/94/47/474559447.db2.gz CWDWRKNGAVTTQP-UHFFFAOYSA-N 1 0 346.471 2.751 10 10 EFCERO COc1cc(Br)cc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)c1O ZINC000190331406 474578724 /nfs/dbraw/zinc/57/87/24/474578724.db2.gz ZCWVSUBGXXASBS-UPJWGTAASA-N 1 0 342.233 2.820 10 10 EFCERO Cc1cc(N2CCC[C@@H]([NH2+]Cc3ccc(N(C)C)cc3)C2)n(C)n1 ZINC000277706420 474594400 /nfs/dbraw/zinc/59/44/00/474594400.db2.gz MBVPWJBTETXEAB-QGZVFWFLSA-N 1 0 327.476 2.553 10 10 EFCERO Cc1cc(Cl)cc(C[NH2+][C@H](CO)C[C@@H](O)c2ccccc2)c1O ZINC000271858940 474596185 /nfs/dbraw/zinc/59/61/85/474596185.db2.gz VMCVSBGRZDPGEQ-DLBZAZTESA-N 1 0 335.831 2.928 10 10 EFCERO Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3cc(F)ccc3O)C2)n(C)n1 ZINC000278172501 474602162 /nfs/dbraw/zinc/60/21/62/474602162.db2.gz BBSQMZFBQSNWQS-DZGCQCFKSA-N 1 0 332.423 2.893 10 10 EFCERO Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3cc(F)ccc3O)C2)n(C)n1 ZINC000278172510 474602192 /nfs/dbraw/zinc/60/21/92/474602192.db2.gz BBSQMZFBQSNWQS-UKRRQHHQSA-N 1 0 332.423 2.893 10 10 EFCERO Cc1cc(Cl)cc(CN2CCC(CS(C)(=O)=O)CC2)c1O ZINC000292840927 474668925 /nfs/dbraw/zinc/66/89/25/474668925.db2.gz SCWYBIJBSGGIPN-UHFFFAOYSA-N 1 0 331.865 2.611 10 10 EFCERO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)c1ccccc1 ZINC000278566669 474709148 /nfs/dbraw/zinc/70/91/48/474709148.db2.gz BYVRYBVNJNQXEA-CQSZACIVSA-N 1 0 332.356 2.786 10 10 EFCERO Cc1cc(C(=O)N2CCC[C@@H]2C[NH+](C)C)c(C)n1-c1ccccn1 ZINC000268101509 474798271 /nfs/dbraw/zinc/79/82/71/474798271.db2.gz HZKCDZWZZWZTIQ-MRXNPFEDSA-N 1 0 326.444 2.655 10 10 EFCERO CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000293520429 475020173 /nfs/dbraw/zinc/02/01/73/475020173.db2.gz CXFVMKNRUCISPM-UHFFFAOYSA-N 1 0 330.831 2.510 10 10 EFCERO COc1c(O)c(CN2CCCC[C@@H]2c2ccnn2C)ccc1[N+](=O)[O-] ZINC000281296154 475158806 /nfs/dbraw/zinc/15/88/06/475158806.db2.gz PJBNPBDHOCXROO-CQSZACIVSA-N 1 0 346.387 2.770 10 10 EFCERO OCC1([NH2+]Cc2cc(Br)ccc2O)Cc2ccccc2C1 ZINC000369377281 476412150 /nfs/dbraw/zinc/41/21/50/476412150.db2.gz IYTWWXZEDMJSKT-UHFFFAOYSA-N 1 0 348.240 2.774 10 10 EFCERO Cn1ccnc1[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000369684557 476476809 /nfs/dbraw/zinc/47/68/09/476476809.db2.gz VUAQKSOZJWBOSP-GOSISDBHSA-N 1 0 340.471 2.636 10 10 EFCERO c1cc(N2CCOCC2)ccc1C[NH+]1CCC2(CCOCC2)CC1 ZINC000375319506 476775629 /nfs/dbraw/zinc/77/56/29/476775629.db2.gz KQNVNWWBAYPNCF-UHFFFAOYSA-N 1 0 330.472 2.916 10 10 EFCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@H](F)C2)C1 ZINC000452354254 476930075 /nfs/dbraw/zinc/93/00/75/476930075.db2.gz LHBNEEIIKGWJFX-HNNXBMFYSA-N 1 0 343.446 2.978 10 10 EFCERO COc1cc([N+](=O)[O-])c(N2CCC(n3cncc3C)CC2)cc1OC ZINC000376743226 477483829 /nfs/dbraw/zinc/48/38/29/477483829.db2.gz UAXGQKCXCOSFRY-UHFFFAOYSA-N 1 0 346.387 2.958 10 10 EFCERO c1n[nH]cc1C1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000372433631 477797196 /nfs/dbraw/zinc/79/71/96/477797196.db2.gz MISDHIFYVLQQFJ-UHFFFAOYSA-N 1 0 326.444 2.626 10 10 EFCERO Cc1noc(C)c1CO[C@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000368358293 477799717 /nfs/dbraw/zinc/79/97/17/477799717.db2.gz SRSBHHXZOSFSOO-AWEZNQCLSA-N 1 0 346.383 2.517 10 10 EFCERO Cc1noc(C)c1CO[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000368358294 477800128 /nfs/dbraw/zinc/80/01/28/477800128.db2.gz SRSBHHXZOSFSOO-CQSZACIVSA-N 1 0 346.383 2.517 10 10 EFCERO CC1(N2CCOCC2)CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000530103926 477877149 /nfs/dbraw/zinc/87/71/49/477877149.db2.gz JDZXWBAFPXSEHJ-UHFFFAOYSA-N 1 0 344.499 2.958 10 10 EFCERO CCOc1ccc(C[NH2+]C[C@@H](n2cccn2)C(F)(F)F)c(O)c1 ZINC000527741568 478500060 /nfs/dbraw/zinc/50/00/60/478500060.db2.gz FIJQSOSXLAYZBF-CQSZACIVSA-N 1 0 329.322 2.881 10 10 EFCERO CCn1ncc(C[NH2+][C@H](C)c2cc(Br)cc(F)c2[O-])n1 ZINC000527922313 478573585 /nfs/dbraw/zinc/57/35/85/478573585.db2.gz FLUWNBXETLVSKK-MRVPVSSYSA-N 1 0 343.200 2.756 10 10 EFCERO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000528286128 478708103 /nfs/dbraw/zinc/70/81/03/478708103.db2.gz FPUBTWNLOOHMIE-UKRRQHHQSA-N 1 0 347.459 2.778 10 10 EFCERO C[C@@H]1CN(Cc2cccc3c2CC[NH2+]C3)c2ccccc2N(C)C1=O ZINC000662258501 481672299 /nfs/dbraw/zinc/67/22/99/481672299.db2.gz XXEKVUCKTWBVOY-OAHLLOKOSA-N 1 0 335.451 2.951 10 10 EFCERO CCN(CC)c1ccc(CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000171903027 528303180 /nfs/dbraw/zinc/30/31/80/528303180.db2.gz XNJNYPNOZJEWMU-SFHVURJKSA-N 1 0 330.476 2.522 10 10 EFCERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000177541193 529066360 /nfs/dbraw/zinc/06/63/60/529066360.db2.gz XIXALJAQLOMYLC-LJQANCHMSA-N 1 0 342.487 2.689 10 10 EFCERO CC(C)[N@H+]1C[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)[C@@H](C)C1 ZINC000176485921 529102900 /nfs/dbraw/zinc/10/29/00/529102900.db2.gz PIRCURPVGXYYHS-LPHOPBHVSA-N 1 0 344.503 2.815 10 10 EFCERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000173331257 529304165 /nfs/dbraw/zinc/30/41/65/529304165.db2.gz WTOSTSVETOOSPD-FUHWJXTLSA-N 1 0 330.476 2.521 10 10 EFCERO CN(C)c1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)cc1 ZINC000193443645 536148258 /nfs/dbraw/zinc/14/82/58/536148258.db2.gz VUUROBRIGAZLED-APWZRJJASA-N 1 0 327.472 2.728 10 10 EFCERO COc1ccc(-n2c(C)cc(C(=O)N[C@H]3CCC[C@@H]3C[NH3+])c2C)cc1 ZINC000237507568 536551654 /nfs/dbraw/zinc/55/16/54/536551654.db2.gz ZFBNACRVUNMWLO-BEFAXECRSA-N 1 0 341.455 2.960 10 10 EFCERO COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3CCC[NH2+][C@H]3C)c2C)cc1 ZINC000193494533 536551671 /nfs/dbraw/zinc/55/16/71/536551671.db2.gz TUJRWAJZELNYCU-IFXJQAMLSA-N 1 0 341.455 2.973 10 10 EFCERO COc1cc(O)c(C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)cc1OC ZINC000245548938 536855906 /nfs/dbraw/zinc/85/59/06/536855906.db2.gz YKMGAMGEDFMODZ-DZGCQCFKSA-N 1 0 331.416 2.689 10 10 EFCERO CC(C)C1CC([NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000754090260 575388422 /nfs/dbraw/zinc/38/84/22/575388422.db2.gz SQMVLYWIARUTDS-WWDZGPRUSA-N 1 0 329.488 2.913 10 10 EFCERO Cc1ccc(/C=C\C(=O)N2C[C@@H](C[NH+](C)C)Oc3ccccc32)cn1 ZINC000754359787 575424860 /nfs/dbraw/zinc/42/48/60/575424860.db2.gz ZTMIIVIALHWMEM-QXPKXGMISA-N 1 0 337.423 2.759 10 10 EFCERO C[C@@H]1CN(C)C[C@@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000756113524 575686372 /nfs/dbraw/zinc/68/63/72/575686372.db2.gz JUTXAMBIQBBXPB-DYVFJYSZSA-N 1 0 339.430 2.797 10 10 EFCERO C[C@H](CC[NH2+][C@@H](C)c1cc(Br)ccc1O)[S@](C)=O ZINC000756762637 575784672 /nfs/dbraw/zinc/78/46/72/575784672.db2.gz PMMIKSTUKQJZMZ-JJQCHNSYSA-N 1 0 334.279 2.962 10 10 EFCERO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000757801925 575853466 /nfs/dbraw/zinc/85/34/66/575853466.db2.gz YLWIYCIVGFPRRR-ICSRJNTNSA-N 1 0 346.471 2.735 10 10 EFCERO C[C@@H]([NH2+][C@@H]1CCCN(C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000765281842 577026869 /nfs/dbraw/zinc/02/68/69/577026869.db2.gz SVDLCIMFBABDAQ-HUUCEWRRSA-N 1 0 337.895 2.921 10 10 EFCERO COc1cccc(N2C[C@@H]([NH2+]Cc3ccc4c(c3)CCO4)CC2=O)c1 ZINC000725853039 577251114 /nfs/dbraw/zinc/25/11/14/577251114.db2.gz NBXVBNOQTRXHPT-INIZCTEOSA-N 1 0 338.407 2.525 10 10 EFCERO C[C@]1(c2ccccc2)CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768464035 577276030 /nfs/dbraw/zinc/27/60/30/577276030.db2.gz MTBCDYWWTMNZLM-ICSRJNTNSA-N 1 0 325.408 2.982 10 10 EFCERO CCOc1ccc(C[NH+]2CCC(C(=O)N(CC)CC)CC2)c(O)c1 ZINC000769147462 577339121 /nfs/dbraw/zinc/33/91/21/577339121.db2.gz VCSVEYBEOFEGMG-UHFFFAOYSA-N 1 0 334.460 2.871 10 10 EFCERO CCc1cnc(N2CC[NH+](Cc3c(O)cccc3OC)CC2)s1 ZINC000769404735 577359892 /nfs/dbraw/zinc/35/98/92/577359892.db2.gz PKIYKYMAXGUVDP-UHFFFAOYSA-N 1 0 333.457 2.742 10 10 EFCERO CN(C)c1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)cc1F ZINC000769405391 577360166 /nfs/dbraw/zinc/36/01/66/577360166.db2.gz UYHOEAFXSNFFMI-INIZCTEOSA-N 1 0 333.451 2.726 10 10 EFCERO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)OC[C@@H](C)CO)C1 ZINC000769662657 577377412 /nfs/dbraw/zinc/37/74/12/577377412.db2.gz FMEDEQOZGNMVHF-HNNXBMFYSA-N 1 0 344.455 2.579 10 10 EFCERO O=C(Cc1cccc(Cl)c1)N1CC[NH+](Cc2ccccc2O)CC1 ZINC000770506199 577422060 /nfs/dbraw/zinc/42/20/60/577422060.db2.gz YPORXQFOJORLJZ-UHFFFAOYSA-N 1 0 344.842 2.933 10 10 EFCERO Cn1nnnc1CC[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000771875467 581253638 /nfs/dbraw/zinc/25/36/38/581253638.db2.gz GWDDZWDAEXHWQO-UHFFFAOYSA-N 1 0 345.491 2.843 10 10 EFCERO C[C@@H]([NH2+]CC1(CCO)CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000773069327 581393418 /nfs/dbraw/zinc/39/34/18/581393418.db2.gz OBMCIBMMFCVRNU-OAHLLOKOSA-N 1 0 336.451 2.866 10 10 EFCERO COc1ccc(N2CCC([NH2+][C@H]3CCO[C@@]4(CCOC4)C3)CC2)cc1 ZINC000773154456 581401370 /nfs/dbraw/zinc/40/13/70/581401370.db2.gz YQUUKEHKYBGNFI-PXNSSMCTSA-N 1 0 346.471 2.592 10 10 EFCERO CC[C@@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1ccc(C)cc1O ZINC000850485601 1250501870 /nfs/dbraw/zinc/50/18/70/1250501870.db2.gz LXVKDKKFZFWZTF-OAHLLOKOSA-N 1 0 325.474 2.956 10 10 EFCERO COc1cc(C[NH2+][C@H]2CCC[C@@H](C(N)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000850150419 1250316027 /nfs/dbraw/zinc/31/60/27/1250316027.db2.gz IXXDOTQQIRWNMP-OCCSQVGLSA-N 1 0 334.460 2.832 10 10 EFCERO COCC(=O)N1CCC[C@@H](C)[C@H]1CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001691286420 1248599476 /nfs/dbraw/zinc/59/94/76/1248599476.db2.gz VVZHUUMFVWULLM-CRAIPNDOSA-N 1 0 348.487 2.757 10 10 EFCERO COc1ccc(N2CC[C@H]([NH2+]Cc3ncc(CN(C)C)s3)C2)cc1 ZINC000850346544 1250440199 /nfs/dbraw/zinc/44/01/99/1250440199.db2.gz GVHDZUCPGRDPFL-AWEZNQCLSA-N 1 0 346.500 2.582 10 10 EFCERO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000850346382 1250440381 /nfs/dbraw/zinc/44/03/81/1250440381.db2.gz TUSYMLIRFLHCBF-OAHLLOKOSA-N 1 0 327.384 2.972 10 10 EFCERO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000850345707 1250442710 /nfs/dbraw/zinc/44/27/10/1250442710.db2.gz IJQCELYXEVULFQ-OAHLLOKOSA-N 1 0 327.384 2.972 10 10 EFCERO CN(C)c1ccc(/C=C/C[NH2+]CC[S@@](=O)CC(F)(F)F)cc1 ZINC000850348965 1250444292 /nfs/dbraw/zinc/44/42/92/1250444292.db2.gz BOESKEALEIXPRW-LFTXJPJQSA-N 1 0 334.407 2.666 10 10 EFCERO CN(C)c1ccc(/C=C\C[NH2+][C@H]2Cc3ccccc3N(C)C2=O)cc1 ZINC000850353048 1250446284 /nfs/dbraw/zinc/44/62/84/1250446284.db2.gz QVWAQBOKSQHUHM-RURPWVQCSA-N 1 0 335.451 2.943 10 10 EFCERO COc1ccc(N2CCC([NH2+]CCc3cncc(C)n3)CC2)cc1 ZINC000850390817 1250463180 /nfs/dbraw/zinc/46/31/80/1250463180.db2.gz UEHBNODQEZBTKU-UHFFFAOYSA-N 1 0 326.444 2.595 10 10 EFCERO CN(C)c1ccc(C[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)cc1F ZINC000850396001 1250465011 /nfs/dbraw/zinc/46/50/11/1250465011.db2.gz NKGUZSUUVUWLHZ-RTBURBONSA-N 1 0 347.478 2.625 10 10 EFCERO Cc1cc(O)c(C[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)cc1C ZINC000850395964 1250465397 /nfs/dbraw/zinc/46/53/97/1250465397.db2.gz MELSTUYIMSZKRX-RTBURBONSA-N 1 0 330.472 2.742 10 10 EFCERO C[C@H](O)[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000850419669 1250477636 /nfs/dbraw/zinc/47/76/36/1250477636.db2.gz GQCWSXCHJIDGFO-JXFKEZNVSA-N 1 0 326.440 2.735 10 10 EFCERO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+][C@@H]3CCCC34CC4)cc2)C1 ZINC000850426406 1250481002 /nfs/dbraw/zinc/48/10/02/1250481002.db2.gz VFDUIDAIGSQPIG-FUHWJXTLSA-N 1 0 327.472 2.811 10 10 EFCERO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@@H]3CCCSCC3)cc2)C1 ZINC000850424852 1250481205 /nfs/dbraw/zinc/48/12/05/1250481205.db2.gz HXYLKVAFTJQRBA-IAGOWNOFSA-N 1 0 347.528 2.764 10 10 EFCERO COc1ccc(N2CCN(CC[NH2+][C@@H]3CCCC34CC4)CC2)cc1 ZINC000850429899 1250483192 /nfs/dbraw/zinc/48/31/92/1250483192.db2.gz UIJFHXYNCBOEQW-LJQANCHMSA-N 1 0 329.488 2.740 10 10 EFCERO CO[C@H](C[NH2+][C@H](C)c1cc(Br)ccc1O)[C@H]1CCOC1 ZINC000850484642 1250499768 /nfs/dbraw/zinc/49/97/68/1250499768.db2.gz NKKAMWPQWCERTA-JRPNMDOOSA-N 1 0 344.249 2.857 10 10 EFCERO COc1ccc(N2CC[C@@H]([NH2+][C@@H](c3nccn3C)C3CC3)C2)cc1 ZINC000850486193 1250502915 /nfs/dbraw/zinc/50/29/15/1250502915.db2.gz AOSUCTNAIZYFJR-CRAIPNDOSA-N 1 0 326.444 2.748 10 10 EFCERO COC[C@@H](CC[NH2+][C@H](C)c1ccc(Br)cc1O)OC ZINC000850487213 1250503702 /nfs/dbraw/zinc/50/37/02/1250503702.db2.gz YFCSBZLRCZYATE-ZYHUDNBSSA-N 1 0 332.238 2.857 10 10 EFCERO CCOC(=O)C1CCC([NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000850487406 1250504097 /nfs/dbraw/zinc/50/40/97/1250504097.db2.gz GWJZTIFEPKWDSG-OFLPRAFFSA-N 1 0 346.471 2.985 10 10 EFCERO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)CC(=O)OC(C)(C)C)C2)cc1 ZINC000850488067 1250504275 /nfs/dbraw/zinc/50/42/75/1250504275.db2.gz KULRSXRZGQYJCS-HUUCEWRRSA-N 1 0 334.460 2.984 10 10 EFCERO C[C@H]([NH2+][C@H](CO)C1CCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000850486984 1250504502 /nfs/dbraw/zinc/50/45/02/1250504502.db2.gz DZZRPRGOZCIMFL-SCLBCKFNSA-N 1 0 338.879 2.988 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+][C@@H](CO)C2CCC2)c1O ZINC000850487198 1250504645 /nfs/dbraw/zinc/50/46/45/1250504645.db2.gz GGRQILUMCWVUEC-ZANVPECISA-N 1 0 344.249 2.975 10 10 EFCERO C[C@@H]1C[C@@H]([NH2+]CC[S@](=O)CC(F)(F)F)c2c1c(F)ccc2O ZINC000850495888 1250508474 /nfs/dbraw/zinc/50/84/74/1250508474.db2.gz KJNDIDOIDLRVFL-PYTJKZLFSA-N 1 0 339.354 2.980 10 10 EFCERO CC[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1ccc(F)cc1[O-] ZINC000850500525 1250510607 /nfs/dbraw/zinc/51/06/07/1250510607.db2.gz HNZMXNBANLROQO-WMLDXEAASA-N 1 0 325.472 2.844 10 10 EFCERO CC[C@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1ccc(F)cc1[O-] ZINC000850500529 1250510718 /nfs/dbraw/zinc/51/07/18/1250510718.db2.gz HNZMXNBANLROQO-YOEHRIQHSA-N 1 0 325.472 2.844 10 10 EFCERO C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(F)cc1[O-] ZINC000850509709 1250514821 /nfs/dbraw/zinc/51/48/21/1250514821.db2.gz RCJXAQHWMMNKTR-RDTXWAMCSA-N 1 0 344.430 2.949 10 10 EFCERO C[C@H]([NH2+][C@H]1C[C@@H](O)C12CCC2)c1ccc(N2CCOCC2)c(F)c1 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CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CCCN3CCSC[C@H]23)cc1 ZINC000922527618 1266204154 /nfs/dbraw/zinc/20/41/54/1266204154.db2.gz YBMBUFGQTQDGNC-BWTKPXILSA-N 1 0 331.529 2.935 10 10 EFCERO Oc1ccc(Br)cc1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000715637318 1261224648 /nfs/dbraw/zinc/22/46/48/1261224648.db2.gz DDJAPYQZAINTJX-UHFFFAOYSA-N 1 0 342.233 2.930 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2cccnc2)cc1C ZINC001485841518 1262443982 /nfs/dbraw/zinc/44/39/82/1262443982.db2.gz CINKGLSTRRUYNT-OAHLLOKOSA-N 1 0 327.428 2.649 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2ccns2)cc1C ZINC001485880865 1262451904 /nfs/dbraw/zinc/45/19/04/1262451904.db2.gz WDIADYVORUTNCB-CYBMUJFWSA-N 1 0 333.457 2.710 10 10 EFCERO C[C@@H]1[C@@H]([NH2+]C/C=C/Cl)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001486095625 1262618152 /nfs/dbraw/zinc/61/81/52/1262618152.db2.gz LQCZZWOLXJRQBN-PNWJRTDOSA-N 1 0 349.822 2.794 10 10 EFCERO COc1ccc(C[NH2+][C@H]2CN(C(=O)COC(C)C)CC2(C)C)cc1C ZINC001486226529 1262794418 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[O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000825124742 1278419617 /nfs/dbraw/zinc/41/96/17/1278419617.db2.gz XCOKPFCJYLCUAX-MADCSZMMSA-N 1 0 327.705 2.930 10 10 EFCERO [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000825124741 1278420003 /nfs/dbraw/zinc/42/00/03/1278420003.db2.gz XCOKPFCJYLCUAX-KRTXAFLBSA-N 1 0 327.705 2.930 10 10 EFCERO C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000825130402 1278423902 /nfs/dbraw/zinc/42/39/02/1278423902.db2.gz XJOYTEHXFQERTC-MLGOLLRUSA-N 1 0 346.393 2.743 10 10 EFCERO OCC1CCN(c2ccc(C[NH2+][C@@H]3CO[C@@H](C4CC4)C3)cc2)CC1 ZINC000825137944 1278425244 /nfs/dbraw/zinc/42/52/44/1278425244.db2.gz GBUGQEVWHHDKHO-AZUAARDMSA-N 1 0 330.472 2.552 10 10 EFCERO Oc1cc(Br)ccc1C[NH2+]CC1(O)Cc2ccccc2C1 ZINC000825297707 1278497256 /nfs/dbraw/zinc/49/72/56/1278497256.db2.gz LIIPUGJUZRAQIY-UHFFFAOYSA-N 1 0 348.240 2.774 10 10 EFCERO CCOc1ccc(O)c(C[NH+]2CCN(c3ccc(OC)cn3)CC2)c1 ZINC000825305458 1278499955 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2.971 10 10 EFCERO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@H](O)c1ccc2c(c1)OCO2 ZINC000785582934 1275118240 /nfs/dbraw/zinc/11/82/40/1275118240.db2.gz JOJCCVZHOBVPQU-BUXKBTBVSA-N 1 0 346.402 2.832 10 10 EFCERO CO[C@H](CC[NH2+]Cc1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC000786824347 1275554569 /nfs/dbraw/zinc/55/45/69/1275554569.db2.gz VXSGLCVNVDADQU-OAHLLOKOSA-N 1 0 332.366 2.580 10 10 EFCERO CC[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H]1[C@@H](C(=O)OC)C1(F)F ZINC000787769200 1275902101 /nfs/dbraw/zinc/90/21/01/1275902101.db2.gz BOOWMLONDHBCHY-GJZGRUSLSA-N 1 0 326.387 2.629 10 10 EFCERO OCC1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CC2(CCC2)C1 ZINC000788528617 1276221623 /nfs/dbraw/zinc/22/16/23/1276221623.db2.gz FHBAPVSXWIPOKL-UHFFFAOYSA-N 1 0 330.472 2.556 10 10 EFCERO OCC1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC2(CCC2)C1 ZINC000788528405 1276221761 /nfs/dbraw/zinc/22/17/61/1276221761.db2.gz BXPOJYZBWNCBSE-UHFFFAOYSA-N 1 0 348.462 2.695 10 10 EFCERO C[C@H](N[C@H]1C[NH2+]CC[C@@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000817967748 1276409744 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10 10 EFCERO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000818361516 1276519583 /nfs/dbraw/zinc/51/95/83/1276519583.db2.gz KDPYXZYYNVJABV-CZUORRHYSA-N 1 0 347.434 2.614 10 10 EFCERO C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1ccc(N2CCCCCC2)cc1 ZINC000818362599 1276520148 /nfs/dbraw/zinc/52/01/48/1276520148.db2.gz YBAKHDBKQZUGFI-YJBOKZPZSA-N 1 0 343.471 2.865 10 10 EFCERO CC[C@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1ccc(C(F)(F)F)cc1O ZINC000818362643 1276520316 /nfs/dbraw/zinc/52/03/16/1276520316.db2.gz ZHSWXCCNQSQWJO-RYUDHWBXSA-N 1 0 344.333 2.599 10 10 EFCERO Cc1ccc(OC[C@H](O)C[NH2+]Cc2ccc3c(c2)CCCN3C)cc1 ZINC000818985209 1276563609 /nfs/dbraw/zinc/56/36/09/1276563609.db2.gz OIIJFLXTSVNVIJ-LJQANCHMSA-N 1 0 340.467 2.907 10 10 EFCERO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000789516913 1276814527 /nfs/dbraw/zinc/81/45/27/1276814527.db2.gz VIKDYCYOZJLEKY-HNNXBMFYSA-N 1 0 327.428 2.821 10 10 EFCERO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000789516919 1276815589 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331.420 2.699 10 10 EFCERO Cc1cc(CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)ccc1N(C)C ZINC000815041906 1287283903 /nfs/dbraw/zinc/28/39/03/1287283903.db2.gz FQJWWEKFZOSXIN-FQEVSTJZSA-N 1 0 344.547 2.663 10 10 EFCERO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000815093793 1287321038 /nfs/dbraw/zinc/32/10/38/1287321038.db2.gz SXBVTUIORMTTFH-DLBZAZTESA-N 1 0 334.460 2.604 10 10 EFCERO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C1=CC(=O)CS1 ZINC000792671623 1279101451 /nfs/dbraw/zinc/10/14/51/1279101451.db2.gz VAOJYKFKRKTHRM-UHFFFAOYSA-N 1 0 348.390 2.989 10 10 EFCERO CO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC000792929473 1279281856 /nfs/dbraw/zinc/28/18/56/1279281856.db2.gz CTCBXTFIYYYMRT-QUCCMNQESA-N 1 0 332.488 2.943 10 10 EFCERO Cc1cc(N(C)C)ccc1CNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000793023098 1279348017 /nfs/dbraw/zinc/34/80/17/1279348017.db2.gz CEHWYMNPIREFEZ-UHFFFAOYSA-N 1 0 344.503 2.877 10 10 EFCERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)[C@@H]1n1cccn1 ZINC000815167233 1287362274 /nfs/dbraw/zinc/36/22/74/1287362274.db2.gz VNJQEMDRGVBIKF-JQHSSLGASA-N 1 0 332.423 2.597 10 10 EFCERO Fc1cc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)ccc1N1CCOCC1 ZINC000793620412 1279779802 /nfs/dbraw/zinc/77/98/02/1279779802.db2.gz OVMDPVJKUMOOGP-LJQANCHMSA-N 1 0 334.435 2.665 10 10 EFCERO Cc1cc(CC[NH2+]C[C@H](O)CC(C)(C)O)c(C)n1-c1ccccc1 ZINC000871969650 1287379030 /nfs/dbraw/zinc/37/90/30/1287379030.db2.gz XMHNOXVHEZNTJV-LJQANCHMSA-N 1 0 330.472 2.748 10 10 EFCERO COCC(C)(C)[NH+]1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000822497367 1289015378 /nfs/dbraw/zinc/01/53/78/1289015378.db2.gz AGZQBSSUALLFIM-VOTSOKGWSA-N 1 0 331.504 2.808 10 10 EFCERO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@]2(CO)CCc3ccccc32)c1 ZINC000846012354 1279976646 /nfs/dbraw/zinc/97/66/46/1279976646.db2.gz YPYXBTSUONFFLM-JLTOFOAXSA-N 1 0 327.424 2.928 10 10 EFCERO CCOc1ccc(O)c(C[NH2+][C@H]2CCCc3c2ccc(=O)n3C)c1 ZINC000846109649 1280020638 /nfs/dbraw/zinc/02/06/38/1280020638.db2.gz UHLTXSRXNWCWDS-INIZCTEOSA-N 1 0 328.412 2.657 10 10 EFCERO COc1cccc([C@H](C)[NH2+][C@H]2CCCN(c3ncccn3)C2)c1O ZINC000846140565 1280049385 /nfs/dbraw/zinc/04/93/85/1280049385.db2.gz AQGPYIBTQMIVOP-KBPBESRZSA-N 1 0 328.416 2.510 10 10 EFCERO Cc1cc(Br)cc([C@H](C)[NH2+]CC[C@]2(O)CCOC2)c1O ZINC000846194044 1280066597 /nfs/dbraw/zinc/06/65/97/1280066597.db2.gz QWGSJAXCZGIFRP-NHYWBVRUSA-N 1 0 344.249 2.655 10 10 EFCERO CC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCCOC1 ZINC000872025851 1287404604 /nfs/dbraw/zinc/40/46/04/1287404604.db2.gz UVLYYUFPNQFRJA-FUHWJXTLSA-N 1 0 336.451 2.957 10 10 EFCERO COc1ccc(N(C)CCN(C)C(=O)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000846658628 1280373688 /nfs/dbraw/zinc/37/36/88/1280373688.db2.gz KKSDSRCKWRFLGJ-KRWDZBQOSA-N 1 0 347.503 2.854 10 10 EFCERO CCN(CC)c1ccc(CNC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)cc1F ZINC000846672255 1280392329 /nfs/dbraw/zinc/39/23/29/1280392329.db2.gz FBISZTWIWUOOCQ-IAGOWNOFSA-N 1 0 333.451 2.819 10 10 EFCERO C/C(=C\c1cccnc1)C(=O)N1C[C@H](C[NH+](C)C)Oc2ccccc21 ZINC000846923432 1280620384 /nfs/dbraw/zinc/62/03/84/1280620384.db2.gz RDPZXKSTDHFDQQ-JMPLCFMRSA-N 1 0 337.423 2.841 10 10 EFCERO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CC[C@H]3C)cc2F)CC1 ZINC000805863880 1280822630 /nfs/dbraw/zinc/82/26/30/1280822630.db2.gz BMURKYSUYJRYCF-RHSMWYFYSA-N 1 0 348.466 2.565 10 10 EFCERO Cc1cc(CCNC(=O)N[C@@H](C)C[NH+](C)C)c(C)n1-c1ccccc1 ZINC000806344927 1281044681 /nfs/dbraw/zinc/04/46/81/1281044681.db2.gz SBZVMCXLYNMJKG-HNNXBMFYSA-N 1 0 342.487 2.886 10 10 EFCERO CC(C)[N@@H+]1CCC[C@H](C(=O)N2CCOc3cc(N(C)C)ccc32)C1 ZINC001147887920 1281323015 /nfs/dbraw/zinc/32/30/15/1281323015.db2.gz GYUGRPHSZRWFMV-HNNXBMFYSA-N 1 0 331.460 2.598 10 10 EFCERO CCOc1ccc(O)c(CN(CC[NH+](C)C)Cc2ccccn2)c1 ZINC000809740644 1282440068 /nfs/dbraw/zinc/44/00/68/1282440068.db2.gz HGEBLKDWHXYGHQ-UHFFFAOYSA-N 1 0 329.444 2.750 10 10 EFCERO COc1ccc(N2CCC([NH2+]CC[C@@H](O)C(F)(F)F)CC2)cc1 ZINC000809743646 1282443421 /nfs/dbraw/zinc/44/34/21/1282443421.db2.gz YHPRTYPTROGOBQ-OAHLLOKOSA-N 1 0 332.366 2.567 10 10 EFCERO COc1cc(Br)cc(C[NH2+][C@](C)(CO)C(C)C)c1O ZINC000810172960 1282965194 /nfs/dbraw/zinc/96/51/94/1282965194.db2.gz SEJQHMDFNXCJIS-CQSZACIVSA-N 1 0 332.238 2.660 10 10 EFCERO COCC[C@@H](COC)[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000810256735 1283107106 /nfs/dbraw/zinc/10/71/06/1283107106.db2.gz FLXRGIZXMYNUDC-PWSUYJOCSA-N 1 0 332.238 2.857 10 10 EFCERO CCOc1ccc(O)c(C[N@H+](C)C2CN(C(=O)OC(C)(C)C)C2)c1 ZINC000811514702 1284391396 /nfs/dbraw/zinc/39/13/96/1284391396.db2.gz DBAOKNFTZWXLCY-UHFFFAOYSA-N 1 0 336.432 2.842 10 10 EFCERO Cc1cc(NCCc2ccc(O)c(O)c2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000811810841 1284642371 /nfs/dbraw/zinc/64/23/71/1284642371.db2.gz FKKYGVKUIGTEMI-UHFFFAOYSA-N 1 0 339.351 2.939 10 10 EFCERO Cc1cc(Br)c(O)c(CN2CC[C@H]3C[N@@H+](C)C[C@H]32)c1 ZINC000814173043 1286354945 /nfs/dbraw/zinc/35/49/45/1286354945.db2.gz FJXDAVRHAHVHQU-SMDDNHRTSA-N 1 0 325.250 2.599 10 10 EFCERO CN(C)c1ccc(CNC(=O)c2cccc(CC[NH+](C)C)c2)cc1 ZINC001135642651 1288223023 /nfs/dbraw/zinc/22/30/23/1288223023.db2.gz KRWHIQUVAQCBHM-UHFFFAOYSA-N 1 0 325.456 2.787 10 10 EFCERO Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000816955332 1288339797 /nfs/dbraw/zinc/33/97/97/1288339797.db2.gz ZKXRJGRCFZQXLK-GDBMZVCRSA-N 1 0 329.469 2.932 10 10 EFCERO Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000816955335 1288340527 /nfs/dbraw/zinc/34/05/27/1288340527.db2.gz ZKXRJGRCFZQXLK-ZBFHGGJFSA-N 1 0 329.469 2.932 10 10 EFCERO c1c(C[NH2+]Cc2ccc(N3CCOCC3)cc2)[nH]nc1-c1ccccn1 ZINC001177483465 1288444703 /nfs/dbraw/zinc/44/47/03/1288444703.db2.gz SSNLNXVJWGGQGA-UHFFFAOYSA-N 1 0 349.438 2.598 10 10 EFCERO CNC(=O)[C@@H]1CC[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000817370501 1288563495 /nfs/dbraw/zinc/56/34/95/1288563495.db2.gz PUTKFLLKBAWWDK-GFCCVEGCSA-N 1 0 328.412 2.585 10 10 EFCERO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000817414168 1288591710 /nfs/dbraw/zinc/59/17/10/1288591710.db2.gz GUMBMXCQGPVPCN-GDBMZVCRSA-N 1 0 333.432 2.930 10 10 EFCERO COc1ccc(N2CCN(CCC[NH2+][C@H]3CC[C@@H]3SC)CC2)cc1 ZINC000822451546 1288993210 /nfs/dbraw/zinc/99/32/10/1288993210.db2.gz LPWZEYPZDYCLBD-OALUTQOASA-N 1 0 349.544 2.691 10 10 EFCERO COc1ccc(N2CCN(CCC[NH2+][C@@H]3CC[C@@H]3SC)CC2)cc1 ZINC000822451545 1288993314 /nfs/dbraw/zinc/99/33/14/1288993314.db2.gz LPWZEYPZDYCLBD-MOPGFXCFSA-N 1 0 349.544 2.691 10 10 EFCERO Cc1ccc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C(C)C)c(O)c1O ZINC001180534977 1289552793 /nfs/dbraw/zinc/55/27/93/1289552793.db2.gz VKNWWKLMQJAIFE-GDBMZVCRSA-N 1 0 332.444 2.741 10 10 EFCERO O=C1OCCN1C[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000824450966 1289656058 /nfs/dbraw/zinc/65/60/58/1289656058.db2.gz FKUDWVZKAWZPRL-SFHVURJKSA-N 1 0 343.471 2.951 10 10 EFCERO O=S1(=O)C[C@@H](C[NH2+]Cc2cc(Cl)ccc2O)c2ccccc21 ZINC000824514669 1289678236 /nfs/dbraw/zinc/67/82/36/1289678236.db2.gz BBAJUIXKRDOMLF-GFCCVEGCSA-N 1 0 337.828 2.706 10 10 EFCERO COC[C@@](C)(O)CC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000824559702 1289698351 /nfs/dbraw/zinc/69/83/51/1289698351.db2.gz XRFPEDZLKNYIJL-HNNXBMFYSA-N 1 0 334.382 2.649 10 10 EFCERO COc1ccc(N2CCC[N@H+](Cc3cnn4c3CCC4)CC2)cc1 ZINC000824606400 1289724443 /nfs/dbraw/zinc/72/44/43/1289724443.db2.gz RSRXSXWJRNMXLB-UHFFFAOYSA-N 1 0 326.444 2.550 10 10 EFCERO CNC(=O)C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccccc1 ZINC000795604885 1290646756 /nfs/dbraw/zinc/64/67/56/1290646756.db2.gz LYIBOEAAZJHPIO-KRWDZBQOSA-N 1 0 329.419 2.859 10 10 EFCERO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000795693924 1291212348 /nfs/dbraw/zinc/21/23/48/1291212348.db2.gz RIHWXUCSLPZAPL-MRXNPFEDSA-N 1 0 343.345 2.808 10 10 EFCERO COc1cc(C[N@H+](C)[C@@H]2CCN3CCO[C@H]2C3)c(O)c(C(C)(C)C)c1 ZINC000826029918 1291547764 /nfs/dbraw/zinc/54/77/64/1291547764.db2.gz MYIRXMXQAPPVAR-MSOLQXFVSA-N 1 0 348.487 2.603 10 10 EFCERO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2nc3c(s2)CCC3)c1 ZINC000775368763 1292051629 /nfs/dbraw/zinc/05/16/29/1292051629.db2.gz FBHJOONNQMNMGN-SNVBAGLBSA-N 1 0 347.440 2.635 10 10 EFCERO Oc1ccc(Cl)cc1C[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000775366703 1292065583 /nfs/dbraw/zinc/06/55/83/1292065583.db2.gz SMTKXHXJXYCROO-UHFFFAOYSA-N 1 0 333.819 2.567 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2CCCCO2)cc1C ZINC001277792924 1312960215 /nfs/dbraw/zinc/96/02/15/1312960215.db2.gz MARIQMKUUGIVDD-CRAIPNDOSA-N 1 0 334.460 2.509 10 10 EFCERO CC1CC(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC001233587427 1312961551 /nfs/dbraw/zinc/96/15/51/1312961551.db2.gz YLEWFIRYNFKAGB-JMLCCBQJSA-N 1 0 332.492 2.701 10 10 EFCERO CC[C@H]([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1ccccc1O ZINC000775538967 1292936478 /nfs/dbraw/zinc/93/64/78/1292936478.db2.gz BKRHBNIYBLAAEB-IRXDYDNUSA-N 1 0 335.492 2.525 10 10 EFCERO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H]3C(C)(C)C)cc2)CC1 ZINC000881854915 1293032189 /nfs/dbraw/zinc/03/21/89/1293032189.db2.gz LGPMQVOTIWTOIG-QZTJIDSGSA-N 1 0 329.488 2.737 10 10 EFCERO C[NH+]1CCN(c2ccc(CNC(=O)c3coc(C(F)F)c3)cc2)CC1 ZINC000881855426 1293032264 /nfs/dbraw/zinc/03/22/64/1293032264.db2.gz WEZICPJXQNQETA-UHFFFAOYSA-N 1 0 349.381 2.899 10 10 EFCERO c1cc(N2CCOCC2)ccc1C[NH2+]C[C@H]1CCC2(CCC2)CO1 ZINC000886319332 1294850005 /nfs/dbraw/zinc/85/00/05/1294850005.db2.gz BJUKDJQFDPLHGC-LJQANCHMSA-N 1 0 330.472 2.962 10 10 EFCERO CC(C)[C@H]1CN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC[N@@H+]1C ZINC001234556193 1313156092 /nfs/dbraw/zinc/15/60/92/1313156092.db2.gz QCMRVUAJVCKEDJ-CRAIPNDOSA-N 1 0 332.492 2.795 10 10 EFCERO COc1ccc(C[NH2+]C2(C)CCN(C(=O)COC(C)C)CC2)cc1C ZINC001274320092 1296062088 /nfs/dbraw/zinc/06/20/88/1296062088.db2.gz JJCAQXCVEKLRMA-UHFFFAOYSA-N 1 0 348.487 2.899 10 10 EFCERO COc1ccc(C[NH2+]CCCN(C)C(=O)c2cscn2)cc1C ZINC001275907808 1296445971 /nfs/dbraw/zinc/44/59/71/1296445971.db2.gz JXQJWCLRYCEESH-UHFFFAOYSA-N 1 0 333.457 2.712 10 10 EFCERO COc1ccc(N2CC[C@@H](C[NH2+][C@@H]3[C@@H]4CCC[NH2+][C@@H]4C3(C)C)C2)cc1 ZINC000925708487 1296870020 /nfs/dbraw/zinc/87/00/20/1296870020.db2.gz SSSWVICJTNFQPU-JOCLIGHLSA-N 1 0 343.515 2.888 10 10 EFCERO C[NH+](C)CC[C@@H](NC(=O)N1Cc2cccc(O)c2C1)c1cccnc1 ZINC000925918350 1296886867 /nfs/dbraw/zinc/88/68/67/1296886867.db2.gz DBZZVYYHBSSEKH-QGZVFWFLSA-N 1 0 340.427 2.505 10 10 EFCERO C[C@H]([NH2+]CC[C@H]1CNC(=O)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000926989497 1296978733 /nfs/dbraw/zinc/97/87/33/1296978733.db2.gz XBTRCSUDRUYRNM-LSDHHAIUSA-N 1 0 333.451 2.993 10 10 EFCERO CC[N@H+](CCO[C@H]1CCOC1)Cc1cc(Br)ccc1O ZINC000929756190 1297205101 /nfs/dbraw/zinc/20/51/01/1297205101.db2.gz WVIFKWVRLUJOPT-AWEZNQCLSA-N 1 0 344.249 2.782 10 10 EFCERO CC(C)Oc1ccc(N(C)Cc2cnnn2[C@@H]2CCC[NH2+]C2)cc1 ZINC000903915258 1313407301 /nfs/dbraw/zinc/40/73/01/1313407301.db2.gz OHDQNOJBAOVNRJ-MRXNPFEDSA-N 1 0 329.448 2.626 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)Cc3ccco3)C2)cc1C ZINC001488780350 1297745406 /nfs/dbraw/zinc/74/54/06/1297745406.db2.gz GVVJOKWWMFQEJI-CALCHBBNSA-N 1 0 342.439 2.824 10 10 EFCERO CN(C)c1ccc(/C=C\CN2CCc3sc(C[NH3+])nc3C2)cc1 ZINC000903943938 1313459892 /nfs/dbraw/zinc/45/98/92/1313459892.db2.gz DIYRQRRGQPPOLI-ARJAWSKDSA-N 1 0 328.485 2.739 10 10 EFCERO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CC[C@@H](C)OC)C2)cc1C ZINC001489984499 1298485863 /nfs/dbraw/zinc/48/58/63/1298485863.db2.gz QUTPQIRQOWTEFU-NVXWUHKLSA-N 1 0 334.460 2.509 10 10 EFCERO CN(C)c1ccc(/C=C\CN[C@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000903970521 1313515708 /nfs/dbraw/zinc/51/57/08/1313515708.db2.gz YMJQCEZVBVZYLQ-DDKKJVIOSA-N 1 0 329.488 2.514 10 10 EFCERO CCN(CC)c1ccc(CN[C@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000903973791 1313521371 /nfs/dbraw/zinc/52/13/71/1313521371.db2.gz IAFGDSSMEXBEJD-GOSISDBHSA-N 1 0 331.504 2.781 10 10 EFCERO Cc1cc(Br)c([O-])c(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000903976863 1313525478 /nfs/dbraw/zinc/52/54/78/1313525478.db2.gz FNPVVYKUXUKGKW-VXGBXAGGSA-N 1 0 327.266 2.880 10 10 EFCERO COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000852413192 1299694610 /nfs/dbraw/zinc/69/46/10/1299694610.db2.gz PZVKGTDFVVLBRP-STQMWFEESA-N 1 0 335.448 2.634 10 10 EFCERO CN(C)c1ccc(CN(C)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000852412277 1299694881 /nfs/dbraw/zinc/69/48/81/1299694881.db2.gz PCMCPQBOAKSWNA-KRWDZBQOSA-N 1 0 332.492 2.767 10 10 EFCERO COC1CCN(c2ccc(C[N@@H+]3C[C@H]4COC[C@]4(C)C3)cc2)CC1 ZINC000852534518 1299744803 /nfs/dbraw/zinc/74/48/03/1299744803.db2.gz CGYKXLJNFGKAIN-PXNSSMCTSA-N 1 0 330.472 2.770 10 10 EFCERO COC(=O)[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000852696780 1299817986 /nfs/dbraw/zinc/81/79/86/1299817986.db2.gz RBKSHSDPYZJZKO-MAEOIBBWSA-N 1 0 346.471 2.685 10 10 EFCERO CC1CCN(c2ccc(CNC(=O)C=C3CC[NH2+]CC3)cc2)CC1 ZINC000852867245 1299921228 /nfs/dbraw/zinc/92/12/28/1299921228.db2.gz SGMYESZNTXVUBF-UHFFFAOYSA-N 1 0 327.472 2.849 10 10 EFCERO CCN(C(=O)NCc1ccc(N2CCCC2)cc1)[C@H]1CC[N@H+](C)C1 ZINC000853411871 1300108334 /nfs/dbraw/zinc/10/83/34/1300108334.db2.gz OQRSDOCIJWNCSR-SFHVURJKSA-N 1 0 330.476 2.522 10 10 EFCERO C[C@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@H](CC(F)(F)F)O1 ZINC000853612582 1300192407 /nfs/dbraw/zinc/19/24/07/1300192407.db2.gz AXGLIBLGQPLOKB-ONGXEEELSA-N 1 0 333.306 2.663 10 10 EFCERO COc1cc(O)c(CN2CCO[C@H](CC(F)(F)F)C2)cc1OC ZINC000853612825 1300192929 /nfs/dbraw/zinc/19/29/29/1300192929.db2.gz LHASUIHDZAKIQX-LLVKDONJSA-N 1 0 335.322 2.563 10 10 EFCERO CCN(C(=O)NCc1ccc(N2CC=CC2)cc1)[C@H]1CC[N@H+](CC)C1 ZINC000853776753 1300272719 /nfs/dbraw/zinc/27/27/19/1300272719.db2.gz VFYAILYINHXIOC-IBGZPJMESA-N 1 0 342.487 2.689 10 10 EFCERO Cc1cc(CC(=O)NCC[NH+]2CCCC2)c(C)n1-c1ccccc1 ZINC000854298383 1300504567 /nfs/dbraw/zinc/50/45/67/1300504567.db2.gz CAHMYICWBNAMOH-UHFFFAOYSA-N 1 0 325.456 2.849 10 10 EFCERO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1cccc(O)c1O ZINC000854513567 1300603491 /nfs/dbraw/zinc/60/34/91/1300603491.db2.gz OXGKRJYHTHEIIP-NVXWUHKLSA-N 1 0 338.407 2.854 10 10 EFCERO COc1ccc(N2CC[C@@H](NC(=O)C3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000855227307 1300849477 /nfs/dbraw/zinc/84/94/77/1300849477.db2.gz XEPFSBUNVCZJFO-QGZVFWFLSA-N 1 0 345.487 2.511 10 10 EFCERO CCN(C)c1ccc(C[N@@H+]2CC3(CCOCC3)CC[C@@H]2CO)cc1 ZINC000859522970 1301482978 /nfs/dbraw/zinc/48/29/78/1301482978.db2.gz RFMSUGYEIJIZJT-LJQANCHMSA-N 1 0 332.488 2.896 10 10 EFCERO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000861663109 1302187277 /nfs/dbraw/zinc/18/72/77/1302187277.db2.gz RCGKBRDHXAWILV-QGZVFWFLSA-N 1 0 330.476 2.569 10 10 EFCERO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000861687105 1302189722 /nfs/dbraw/zinc/18/97/22/1302189722.db2.gz XDISWMCWQKWPBA-RDJZCZTQSA-N 1 0 332.492 2.813 10 10 EFCERO C[C@@H]1CC[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2[O-])C[NH2+]1 ZINC000861690357 1302189925 /nfs/dbraw/zinc/18/99/25/1302189925.db2.gz NTLHAKARVBUZLC-KCJUWKMLSA-N 1 0 332.231 2.639 10 10 EFCERO Cc1ncc(CNCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)o1 ZINC000862291529 1302327864 /nfs/dbraw/zinc/32/78/64/1302327864.db2.gz QTHGMMCSQBNOIO-UHFFFAOYSA-N 1 0 340.471 2.805 10 10 EFCERO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1c(O)cccc1Br ZINC000862385525 1302359449 /nfs/dbraw/zinc/35/94/49/1302359449.db2.gz NFPPCVVHMBXLAH-MFKMUULPSA-N 1 0 342.233 2.976 10 10 EFCERO CC(C)NC(=O)[C@H]1CCC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862417934 1302374347 /nfs/dbraw/zinc/37/43/47/1302374347.db2.gz ISULTHRWHZOQDJ-ZDUSSCGKSA-N 1 0 339.430 2.767 10 10 EFCERO CCN(CC)c1ccc(C[NH2+][C@H]2CCN(CC(C)(C)O)C2)cc1F ZINC000865659579 1303356201 /nfs/dbraw/zinc/35/62/01/1303356201.db2.gz QESYTVYRNJACAM-INIZCTEOSA-N 1 0 337.483 2.607 10 10 EFCERO c1cc(N2CCOCC2)ccc1C[NH2+]C[C@@H]1CCC12CCOCC2 ZINC000865779656 1303398294 /nfs/dbraw/zinc/39/82/94/1303398294.db2.gz ZQCJUPQMNJDYKW-SFHVURJKSA-N 1 0 330.472 2.820 10 10 EFCERO C[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)C1(S(C)(=O)=O)CC1 ZINC000796492517 1303566950 /nfs/dbraw/zinc/56/69/50/1303566950.db2.gz TVTYFXBWJOFMMA-HNNXBMFYSA-N 1 0 336.501 2.732 10 10 EFCERO C[C@H]1C[C@@H]([NH2+]Cc2ccnc(-n3cncn3)c2)c2c1c(F)ccc2O ZINC000866432896 1303637570 /nfs/dbraw/zinc/63/75/70/1303637570.db2.gz FGFXILKDFGCOGE-SMDDNHRTSA-N 1 0 339.374 2.845 10 10 EFCERO C[C@@H]([NH2+]CC[C@H](O)C(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000866442199 1303641746 /nfs/dbraw/zinc/64/17/46/1303641746.db2.gz GTQNMPMCDICEAF-ABAIWWIYSA-N 1 0 348.821 2.843 10 10 EFCERO CC[C@@H]([NH2+]Cc1nc2c(c(=O)[nH]1)COCC2)c1ccc(C)cc1O ZINC000866627935 1303718111 /nfs/dbraw/zinc/71/81/11/1303718111.db2.gz DUDGOVPBPGIWQO-CQSZACIVSA-N 1 0 329.400 2.510 10 10 EFCERO C[C@H](NC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)c1ccc(N(C)C)cc1 ZINC000868515383 1304334555 /nfs/dbraw/zinc/33/45/55/1304334555.db2.gz LJPCYPZWQMZGJS-YXJHDRRASA-N 1 0 330.476 2.549 10 10 EFCERO Cc1c[nH+]ccc1N1CCC(C(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000871202465 1305889220 /nfs/dbraw/zinc/88/92/20/1305889220.db2.gz IBZROXCBOUFBQF-UHFFFAOYSA-N 1 0 337.423 2.854 10 10 EFCERO O=C1C[C@@H](c2ccccc2)[N@H+](Cc2cc3c(cc2O)CCC3)CCN1 ZINC000748790208 1314129740 /nfs/dbraw/zinc/12/97/40/1314129740.db2.gz OFIVRYPTFYLNQG-IBGZPJMESA-N 1 0 336.435 2.944 10 10 EFCERO COc1ccc(N2CCN(CC[NH2+][C@@H]3CCC[C@H]4C[C@]43C)CC2)cc1 ZINC000800474949 1307922532 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BDYJEVZARQYIAJ-BCDXTJNWSA-N 1 0 348.512 2.590 10 10 EFCERO COc1ccc(N2CC[C@@H]([NH2+][C@@H]3CC[C@@H]4[C@H]5OCC[C@H]5[C@@H]43)C2)cc1 ZINC000903046799 1312307725 /nfs/dbraw/zinc/30/77/25/1312307725.db2.gz AWNRDJIOFSORHD-KMHZDYFNSA-N 1 0 328.456 2.677 10 10 EFCERO COc1cccc([C@@H](C)[NH2+]Cc2cn(C)nc2Br)c1O ZINC000903188503 1312444067 /nfs/dbraw/zinc/44/40/67/1312444067.db2.gz RZZQLJQXWWCINX-SECBINFHSA-N 1 0 340.221 2.748 10 10 EFCERO C[C@@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)c1cc(Br)ccc1O ZINC000903215822 1312470754 /nfs/dbraw/zinc/47/07/54/1312470754.db2.gz PDZJTJSGNZVSRT-MNOVXSKESA-N 1 0 341.249 2.674 10 10 EFCERO C[C@H]1C[C@@H]([NH2+]CC2(C3(O)CCOCC3)CC2)c2c1c(F)ccc2O ZINC000903346458 1312585712 /nfs/dbraw/zinc/58/57/12/1312585712.db2.gz HJQDFWODRZEHAU-GXTWGEPZSA-N 1 0 335.419 2.991 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)CC(C)(C)O)C2)cc1C ZINC001278559173 1315192000 /nfs/dbraw/zinc/19/20/00/1315192000.db2.gz ODPYCJCYWKAYPB-SJORKVTESA-N 1 0 348.487 2.539 10 10 EFCERO C[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)C1(C)CC1 ZINC001251400365 1315346113 /nfs/dbraw/zinc/34/61/13/1315346113.db2.gz HUIAOSUQXQDXCM-YOEHRIQHSA-N 1 0 332.492 2.843 10 10 EFCERO COc1cc(O)c(C[NH2+]Cc2c(C3CCC3)cnn2C)cc1OC ZINC000827401551 1315979705 /nfs/dbraw/zinc/97/97/05/1315979705.db2.gz ZYAAVOWCIUGRRX-UHFFFAOYSA-N 1 0 331.416 2.700 10 10 EFCERO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000827544551 1315997650 /nfs/dbraw/zinc/99/76/50/1315997650.db2.gz FFNKVZILZCSYRU-MRXNPFEDSA-N 1 0 327.428 2.733 10 10 EFCERO O=[N+]([O-])c1cc(C[N@@H+]2CCC3(COC3)C2)ccc1N1CCCCC1 ZINC000827649750 1316009863 /nfs/dbraw/zinc/00/98/63/1316009863.db2.gz KMXXOOUVDBNNER-UHFFFAOYSA-N 1 0 331.416 2.807 10 10 EFCERO CN1CCN(c2ccc(C[NH2+]C3(CCO)CCCCC3)cc2F)CC1 ZINC001261892443 1316436537 /nfs/dbraw/zinc/43/65/37/1316436537.db2.gz KWPFIBIXLOQSMC-UHFFFAOYSA-N 1 0 349.494 2.752 10 10 EFCERO CCCSCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001265467205 1316809787 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344.459 2.518 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@@H](C)CO3)CCC2)cc1C ZINC001280493420 1317587558 /nfs/dbraw/zinc/58/75/58/1317587558.db2.gz KYMJQCQXKUWQAE-KDOFPFPSSA-N 1 0 346.471 2.557 10 10 EFCERO CC[C@H](C)C(=O)NC1(C[NH2+]Cc2ccc(OC)c(C)c2)CCOCC1 ZINC001281211369 1318106020 /nfs/dbraw/zinc/10/60/20/1318106020.db2.gz DZSWBZHFGKLVSN-HNNXBMFYSA-N 1 0 348.487 2.805 10 10 EFCERO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)C[C@@H](C)OC)cc1C ZINC001319059083 1328772428 /nfs/dbraw/zinc/77/24/28/1328772428.db2.gz ZZNUSLPAAUDBGO-NVXWUHKLSA-N 1 0 334.460 2.509 10 10 EFCERO C[C@H](F)CC[NH2+][C@@H](C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001281768573 1318574560 /nfs/dbraw/zinc/57/45/60/1318574560.db2.gz PKHWGSDPUGSZDO-RYUDHWBXSA-N 1 0 337.399 2.695 10 10 EFCERO C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@H](C)[NH2+]CCC1CC1 ZINC001282241187 1318800603 /nfs/dbraw/zinc/80/06/03/1318800603.db2.gz IOLGPADCGUFDEO-RYUDHWBXSA-N 1 0 331.420 2.746 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2ncccc2C)cc1C ZINC001283593518 1319864180 /nfs/dbraw/zinc/86/41/80/1319864180.db2.gz CFVUUZOSHPWFJC-INIZCTEOSA-N 1 0 341.455 2.957 10 10 EFCERO CCOC1CC(C(=O)N(C)[C@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001319452183 1328890586 /nfs/dbraw/zinc/89/05/86/1328890586.db2.gz KTXUKUTTXNZNPQ-FAEJEUNOSA-N 1 0 348.487 2.755 10 10 EFCERO COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@H](OC)C3CC3)C2)cc1C ZINC001284762403 1320516337 /nfs/dbraw/zinc/51/63/37/1320516337.db2.gz TYRVKQJIZPYTGR-FAFZWHIHSA-N 1 0 346.471 2.508 10 10 EFCERO COCCCC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@H](C)C1 ZINC001319673704 1328946950 /nfs/dbraw/zinc/94/69/50/1328946950.db2.gz LZCNREKOATXTFS-AEFFLSMTSA-N 1 0 348.487 2.757 10 10 EFCERO Cc1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1F ZINC001288331269 1321642640 /nfs/dbraw/zinc/64/26/40/1321642640.db2.gz YMDBDLDSGPPZBT-UHFFFAOYSA-N 1 0 341.430 2.816 10 10 EFCERO CCc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001292841096 1322133394 /nfs/dbraw/zinc/13/33/94/1322133394.db2.gz NMGQLGPCWKVGQN-OAHLLOKOSA-N 1 0 343.475 2.524 10 10 EFCERO CN1CCN(c2ccc(C[N@@H+]3CCC[C@@H]4COCC[C@H]43)cc2F)CC1 ZINC001319962015 1329045202 /nfs/dbraw/zinc/04/52/02/1329045202.db2.gz IADGKKCNDRIWGR-IEBWSBKVSA-N 1 0 347.478 2.578 10 10 EFCERO CC[N@@H+]1CCCC[C@H]1Cn1c(C)nnc1N(C)Cc1ccccc1O ZINC001296081192 1322850245 /nfs/dbraw/zinc/85/02/45/1322850245.db2.gz QNDNZFAGBLYPBP-KRWDZBQOSA-N 1 0 343.475 2.803 10 10 EFCERO C[C@H](CCNC(=O)c1ccc(N=NC(N)=O)cc1)[NH+]1CCCCC1 ZINC001296275506 1322877609 /nfs/dbraw/zinc/87/76/09/1322877609.db2.gz XIEHKVKUWJCQPA-CYBMUJFWSA-N 1 0 331.420 2.843 10 10 EFCERO Cc1cc(C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)c(C)n1-c1ccccn1 ZINC001299822377 1323708445 /nfs/dbraw/zinc/70/84/45/1323708445.db2.gz PRWFVWAWUJJSKJ-IAGOWNOFSA-N 1 0 340.471 2.948 10 10 EFCERO COCCC[C@H](C)C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001491761994 1323870892 /nfs/dbraw/zinc/87/08/92/1323870892.db2.gz TZXZVJWXWWDVAL-YJBOKZPZSA-N 1 0 348.487 2.757 10 10 EFCERO COCCCC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001491868931 1323969099 /nfs/dbraw/zinc/96/90/99/1323969099.db2.gz KRDPMTIOZVNPEL-ZWKOTPCHSA-N 1 0 348.487 2.947 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2ccc(F)cn2)cc1C ZINC001492009300 1324127503 /nfs/dbraw/zinc/12/75/03/1324127503.db2.gz WMPMOJODFDMCBC-CQSZACIVSA-N 1 0 345.418 2.836 10 10 EFCERO CCc1nc[nH]c1C(=O)NCC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001492120506 1324226794 /nfs/dbraw/zinc/22/67/94/1324226794.db2.gz VHNAHNWGAPCPBE-AWEZNQCLSA-N 1 0 344.459 2.587 10 10 EFCERO CC[C@H](F)C[NH2+][C@H](C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001492133278 1324328254 /nfs/dbraw/zinc/32/82/54/1324328254.db2.gz MYDYWACGQXIHQP-YPMHNXCESA-N 1 0 337.399 2.695 10 10 EFCERO COc1cc([N+](=O)[O-])c(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1OC ZINC001306993242 1324737804 /nfs/dbraw/zinc/73/78/04/1324737804.db2.gz BWMRLNUWVVTHIJ-STQMWFEESA-N 1 0 335.404 2.533 10 10 EFCERO CC[C@@](O)(C[N@H+](C)CCN(C)c1ccc(OC)cc1)C(F)(F)F ZINC001307901806 1324785263 /nfs/dbraw/zinc/78/52/63/1324785263.db2.gz OPMAJUSRDIJJOL-OAHLLOKOSA-N 1 0 334.382 2.767 10 10 EFCERO CC(C)=CC[NH2+][C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001317031493 1325495922 /nfs/dbraw/zinc/49/59/22/1325495922.db2.gz JHVZWYJGFZKWSB-MRXNPFEDSA-N 1 0 343.431 2.913 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CC[C@H]3CCCO3)C2)cc1C ZINC001317071202 1325540595 /nfs/dbraw/zinc/54/05/95/1325540595.db2.gz WVNOFODMNSQRRQ-KZNAEPCWSA-N 1 0 346.471 2.700 10 10 EFCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)c2cc[nH]c2C)cc1C ZINC001321013848 1329331850 /nfs/dbraw/zinc/33/18/50/1329331850.db2.gz PCZKOGZKROQEIR-SNAWJCMRSA-N 1 0 327.428 2.716 10 10 EFCERO CC[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001317128496 1327609429 /nfs/dbraw/zinc/60/94/29/1327609429.db2.gz QAVPZLWIFBIRKW-TUKIKUTGSA-N 1 0 331.420 2.746 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2cc(C)[nH]c2C)cc1C ZINC001317273183 1327808217 /nfs/dbraw/zinc/80/82/17/1327808217.db2.gz URHONQMDBGEAPB-CQSZACIVSA-N 1 0 329.444 2.857 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2cc(C)[nH]c2C)cc1C ZINC001317273177 1327808591 /nfs/dbraw/zinc/80/85/91/1327808591.db2.gz URHONQMDBGEAPB-AWEZNQCLSA-N 1 0 329.444 2.857 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)N2CC[C@H](C[NH2+]C/C=C/Cl)C2)cc1 ZINC001317353980 1327885977 /nfs/dbraw/zinc/88/59/77/1327885977.db2.gz IEURTUFRFPMYMI-MOHVTFCOSA-N 1 0 349.822 2.653 10 10 EFCERO CC(C)CCC[NH2+]C[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001321760553 1329407219 /nfs/dbraw/zinc/40/72/19/1329407219.db2.gz RESYIEYPJXVCJR-CYBMUJFWSA-N 1 0 333.436 2.993 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)Cc2ccsc2)cc1C ZINC001321778162 1329408142 /nfs/dbraw/zinc/40/81/42/1329408142.db2.gz DQVANKNVHGNJLC-AWEZNQCLSA-N 1 0 332.469 2.902 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2cc(C3CC3)n[nH]2)cc1C ZINC001321991439 1329421408 /nfs/dbraw/zinc/42/14/08/1329421408.db2.gz KWFJEHUYDJZWSK-ZDUSSCGKSA-N 1 0 342.443 2.512 10 10 EFCERO CC(C)CCC[NH+]1CC(CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001318179078 1328514152 /nfs/dbraw/zinc/51/41/52/1328514152.db2.gz FJTMDEJSJXMYJM-UHFFFAOYSA-N 1 0 345.447 2.947 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2cc(Cl)no2)cc1C ZINC001322054644 1329425393 /nfs/dbraw/zinc/42/53/93/1329425393.db2.gz QMBIIHUDRWWYSV-NSHDSACASA-N 1 0 337.807 2.553 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)C3(CF)CCC3)CC2)cc1C ZINC001323541475 1329550330 /nfs/dbraw/zinc/55/03/30/1329550330.db2.gz IRSKZQAYIDXDRT-UHFFFAOYSA-N 1 0 334.435 2.882 10 10 EFCERO CC(C)C[NH2+]C[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC001325597567 1329699679 /nfs/dbraw/zinc/69/96/79/1329699679.db2.gz FGYKSKVSORTSTC-HIFRSBDPSA-N 1 0 345.447 2.803 10 10 EFCERO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001327580770 1330498695 /nfs/dbraw/zinc/49/86/95/1330498695.db2.gz AUKWARKATWCKCN-DFQSSKMNSA-N 1 0 332.488 2.943 10 10 EFCERO CCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC001328373372 1330588723 /nfs/dbraw/zinc/58/87/23/1330588723.db2.gz JVESYRPLQVCAEQ-APWZRJJASA-N 1 0 345.487 2.655 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2ccc(F)nc2)cc1C ZINC001329007614 1330656440 /nfs/dbraw/zinc/65/64/40/1330656440.db2.gz KAIOTGCAPZMBGV-KBPBESRZSA-N 1 0 345.418 2.834 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2c[nH]cc2C)cc1C ZINC001329198471 1330679703 /nfs/dbraw/zinc/67/97/03/1330679703.db2.gz XEKSWKVBLHRJPX-CABCVRRESA-N 1 0 329.444 2.937 10 10 EFCERO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2C[C@@H]3CCCC[C@@]32C)cc1 ZINC001329361705 1330698822 /nfs/dbraw/zinc/69/88/22/1330698822.db2.gz PCPGCIBQTAQGBA-PXNSSMCTSA-N 1 0 329.488 2.976 10 10 EFCERO C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[N@H+](C)CCC1CC1 ZINC001329627117 1330724198 /nfs/dbraw/zinc/72/41/98/1330724198.db2.gz DRFINTZEOVLNHF-LBPRGKRZSA-N 1 0 331.420 2.699 10 10 EFCERO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CCN(C2CCOCC2)C1=O ZINC001329717542 1330730233 /nfs/dbraw/zinc/73/02/33/1330730233.db2.gz RRAQFJTXMYSWMM-BMFZPTHFSA-N 1 0 344.455 2.618 10 10 EFCERO COc1ccc(C[NH2+][C@H](CCNC(=O)[C@H]2CCOC2)C(C)C)cc1C ZINC001331188747 1330803541 /nfs/dbraw/zinc/80/35/41/1330803541.db2.gz MTXAFJQSBGXKSP-ZWKOTPCHSA-N 1 0 348.487 2.661 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2ncoc2C)cc1C ZINC001331393553 1330831773 /nfs/dbraw/zinc/83/17/73/1330831773.db2.gz RBMHFQKGZPXBBH-ZDUSSCGKSA-N 1 0 331.416 2.550 10 10 EFCERO COC(=O)c1c(C[NH2+][C@@H]2CCC[C@H]2CCO)c2cc(F)ccc2n1C ZINC001331566413 1330854235 /nfs/dbraw/zinc/85/42/35/1330854235.db2.gz PNMVHUKAKWQTLN-BLLLJJGKSA-N 1 0 348.418 2.745 10 10 EFCERO CCCC[C@@](C)(CO)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001332341325 1330960152 /nfs/dbraw/zinc/96/01/52/1330960152.db2.gz UMPXFWBSLREDGB-IBGZPJMESA-N 1 0 337.483 2.608 10 10 EFCERO COc1c(O)c(C[NH2+]Cc2ccc(C)nc2Cl)ccc1[N+](=O)[O-] ZINC001333718493 1331200842 /nfs/dbraw/zinc/20/08/42/1331200842.db2.gz IDBJFQVXGNVEAP-UHFFFAOYSA-N 1 0 337.763 2.956 10 10 EFCERO CCc1cc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)no1 ZINC001335858639 1331410604 /nfs/dbraw/zinc/41/06/04/1331410604.db2.gz DLYASRLKNZCXOK-INIZCTEOSA-N 1 0 345.447 2.727 10 10 EFCERO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001346792967 1332689685 /nfs/dbraw/zinc/68/96/85/1332689685.db2.gz URUXSORFJTVLRN-USXIJHARSA-N 1 0 331.460 2.654 10 10 EFCERO C[C@@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC001349837911 1333003681 /nfs/dbraw/zinc/00/36/81/1333003681.db2.gz DTBVLGAEIJPUPA-OKZBNKHCSA-N 1 0 331.504 2.874 10 10 EFCERO Cc1cc(O)c(C[N@@H+]2C[C@H](O)CC3(CCOCC3)C2)c(Cl)c1 ZINC001350337781 1333066043 /nfs/dbraw/zinc/06/60/43/1333066043.db2.gz FMPXOFAVEZRUQJ-CYBMUJFWSA-N 1 0 325.836 2.717 10 10 EFCERO C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1 ZINC000847474255 1333768953 /nfs/dbraw/zinc/76/89/53/1333768953.db2.gz IINYXOXGNPCWOM-QGZVFWFLSA-N 1 0 329.488 2.881 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+]CCn2ccnc2)c1O ZINC000848514223 1334768435 /nfs/dbraw/zinc/76/84/35/1334768435.db2.gz LKQNXEWCKWWYAI-JTQLQIEISA-N 1 0 340.221 2.711 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+]CCN2CCCC2)c1O ZINC000848513501 1334768519 /nfs/dbraw/zinc/76/85/19/1334768519.db2.gz FNEJDRMHXCQDOI-NSHDSACASA-N 1 0 343.265 2.910 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](C)N(C)C)c1O ZINC000848524336 1334773144 /nfs/dbraw/zinc/77/31/44/1334773144.db2.gz HWYKGUZPHUNJKL-VHSXEESVSA-N 1 0 331.254 2.764 10 10 EFCERO COc1ccc(N2CCN(CC[NH2+][C@H]3CC[C@H](C)SC3)CC2)cc1 ZINC000848525589 1334774929 /nfs/dbraw/zinc/77/49/29/1334774929.db2.gz OBPOJKVKILDEFT-IRXDYDNUSA-N 1 0 349.544 2.691 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)CCCO)c1O ZINC000848532646 1334779991 /nfs/dbraw/zinc/77/99/91/1334779991.db2.gz KISQZCCFUOAZHB-UWVGGRQHSA-N 1 0 332.238 2.975 10 10 EFCERO COc1ccc(N2CCC([NH2+]Cc3cc4n(n3)CCCC4)CC2)cc1 ZINC000848535452 1334780770 /nfs/dbraw/zinc/78/07/70/1334780770.db2.gz ZWIOTPMPYQMJDV-UHFFFAOYSA-N 1 0 340.471 2.987 10 10 EFCERO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cnc(Cl)n3C)C2)cc1 ZINC000848556349 1334792583 /nfs/dbraw/zinc/79/25/83/1334792583.db2.gz VDEOKPYMNJOREP-ZDUSSCGKSA-N 1 0 334.851 2.698 10 10 EFCERO C[NH+](C)C1CC(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000848558440 1334793194 /nfs/dbraw/zinc/79/31/94/1334793194.db2.gz RBUDUUQMGOATHF-UHFFFAOYSA-N 1 0 332.448 2.767 10 10 EFCERO C[C@@H](C[NH2+]C/C=C/c1ccc(N(C)C)cc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848561605 1334796047 /nfs/dbraw/zinc/79/60/47/1334796047.db2.gz AFHCZGAEKKZBRO-NJBHELBTSA-N 1 0 331.504 2.853 10 10 EFCERO CCCCN(Cc1ccccc1O)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000848598172 1334809611 /nfs/dbraw/zinc/80/96/11/1334809611.db2.gz HVQWTVNGZWHQRT-ZDUSSCGKSA-N 1 0 333.354 2.594 10 10 EFCERO [NH3+]C[C@@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000848714387 1334856495 /nfs/dbraw/zinc/85/64/95/1334856495.db2.gz OKEHYEUNGFAZCF-CQSZACIVSA-N 1 0 346.353 2.564 10 10 EFCERO COc1ccc(N2CCCN(Cc3cnc(Cl)n3C)CC2)cc1 ZINC000848883691 1334959453 /nfs/dbraw/zinc/95/94/53/1334959453.db2.gz QVJZJVYXMQETMZ-UHFFFAOYSA-N 1 0 334.851 2.794 10 10 EFCERO CCOC(=O)C1(COC)CC[NH+](Cc2cccc(CC)c2O)CC1 ZINC000848908379 1334977520 /nfs/dbraw/zinc/97/75/20/1334977520.db2.gz SGUYAWFDXLXWQU-UHFFFAOYSA-N 1 0 335.444 2.746 10 10 EFCERO CCc1cccc(C[NH+]2CCC(C(=O)Nc3nncs3)CC2)c1O ZINC000848909758 1334978661 /nfs/dbraw/zinc/97/86/61/1334978661.db2.gz AVINTSFLTCBAJS-UHFFFAOYSA-N 1 0 346.456 2.657 10 10 EFCERO COCC[N@@H+](Cc1cc(Cl)cc(C)c1O)C[C@H](O)C(F)(F)F ZINC000848921410 1334987699 /nfs/dbraw/zinc/98/76/99/1334987699.db2.gz AODWXTIEEMFPGH-LBPRGKRZSA-N 1 0 341.757 2.726 10 10 EFCERO COc1cc(Cl)cc(C[NH2+]C[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000848923123 1334989596 /nfs/dbraw/zinc/98/95/96/1334989596.db2.gz GQPBOLKRJSMIPW-UPJWGTAASA-N 1 0 342.867 2.642 10 10 EFCERO C[C@@H]1CCCN(C(=[NH2+])NCc2cc(Br)ccc2O)C1 ZINC000849051880 1335058020 /nfs/dbraw/zinc/05/80/20/1335058020.db2.gz JYKGDSJSUAIDGZ-SNVBAGLBSA-N 1 0 326.238 2.911 10 10 EFCERO CC1(C)CC(NC(=O)c2ccc(N=NC(N)=O)cc2)CC(C)(C)[NH2+]1 ZINC001440865482 1389965943 /nfs/dbraw/zinc/96/59/43/1389965943.db2.gz DBOCPLGFMGGRKA-UHFFFAOYSA-N 1 0 331.420 2.888 10 10 EFCERO C[C@H](CC[NH+](C)C)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001450711791 1392710247 /nfs/dbraw/zinc/71/02/47/1392710247.db2.gz VLJDUAHZXKUKQW-CQSZACIVSA-N 1 0 337.427 2.923 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C[C@H]2CCCOC2)cc1C ZINC001507161869 1406791677 /nfs/dbraw/zinc/79/16/77/1406791677.db2.gz HGIIUGXCXAPIBJ-FUHWJXTLSA-N 1 0 348.487 2.757 10 10 EFCERO CCC[N@H+](Cc1ccccc1O)[C@@H](C)c1nc(-c2nc[nH]n2)no1 ZINC001459558151 1395932614 /nfs/dbraw/zinc/93/26/14/1395932614.db2.gz UXJFOHKYGWNERX-NSHDSACASA-N 1 0 328.376 2.534 10 10 EFCERO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)Cc2ccc(O)c(O)c2)C1 ZINC001464212403 1396556171 /nfs/dbraw/zinc/55/61/71/1396556171.db2.gz CXUXXJSNQSLNAG-GJZGRUSLSA-N 1 0 334.460 2.515 10 10 EFCERO CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2CCC2(C)C)[NH+](C)C)cc1 ZINC001470116130 1397074558 /nfs/dbraw/zinc/07/45/58/1397074558.db2.gz QPHDLLGUPHMVQL-IAGOWNOFSA-N 1 0 332.492 2.843 10 10 EFCERO CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)[NH+](C)C)cc1 ZINC001470475237 1397091987 /nfs/dbraw/zinc/09/19/87/1397091987.db2.gz ZYUONKOVNPPBMF-LULLPPNCSA-N 1 0 344.503 2.843 10 10 EFCERO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@@]3(C)CC3(C)C)cc2)CC1 ZINC001471190177 1397149030 /nfs/dbraw/zinc/14/90/30/1397149030.db2.gz FPFLKOLGGRAMCD-HXUWFJFHSA-N 1 0 344.503 2.674 10 10 EFCERO CN(C)c1ccc([C@H](CNC(=O)NCC2(C3CC3)CC2)[NH+](C)C)cc1 ZINC001478268164 1397572636 /nfs/dbraw/zinc/57/26/36/1397572636.db2.gz IFUCIJRUAJHCRP-SFHVURJKSA-N 1 0 344.503 2.845 10 10 EFCERO C[NH+]1CCN(c2ccc(CNC(=O)NCC(C)(C)C3CC3)cc2)CC1 ZINC001479185759 1397617946 /nfs/dbraw/zinc/61/79/46/1397617946.db2.gz TWZSAHIPLOBJRM-UHFFFAOYSA-N 1 0 344.503 2.674 10 10 EFCERO CCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001507338286 1406907716 /nfs/dbraw/zinc/90/77/16/1406907716.db2.gz IVYVITQYJIWOPN-SWLSCSKDSA-N 1 0 331.420 2.842 10 10 EFCERO C[C@H]1CCC[N@@H+]1CCNC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001479477856 1397733652 /nfs/dbraw/zinc/73/36/52/1397733652.db2.gz WFKXNECAULUOEF-KRWDZBQOSA-N 1 0 344.503 2.913 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H](C)C(F)(F)F)C2)cc1C ZINC001480152633 1398129082 /nfs/dbraw/zinc/12/90/82/1398129082.db2.gz VCBIJZSWDNBMEV-UBHSHLNASA-N 1 0 344.377 2.939 10 10 EFCERO CC[C@H]1CC[C@@H](C(=O)N(C)CC[NH2+]Cc2ccc(OC)c(C)c2)O1 ZINC001493566892 1398755977 /nfs/dbraw/zinc/75/59/77/1398755977.db2.gz ILPFYSUZUAYVCG-WMZOPIPTSA-N 1 0 334.460 2.509 10 10 EFCERO CCC[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001507420487 1407034827 /nfs/dbraw/zinc/03/48/27/1407034827.db2.gz ITZPFZNWYJGPPB-WFASDCNBSA-N 1 0 331.420 2.747 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2scnc2C)cc1C ZINC001495623527 1400126260 /nfs/dbraw/zinc/12/62/60/1400126260.db2.gz SEKFQMKEZASXKV-GFCCVEGCSA-N 1 0 347.484 2.924 10 10 EFCERO C[C@H](C[NH2+]C/C=C\Cl)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001496243942 1400566278 /nfs/dbraw/zinc/56/62/78/1400566278.db2.gz NFWPJQOGWOCWMN-YKIPQYDZSA-N 1 0 337.811 2.652 10 10 EFCERO C[C@@H](C[NH2+]C/C=C/Cl)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001496243937 1400566490 /nfs/dbraw/zinc/56/64/90/1400566490.db2.gz NFWPJQOGWOCWMN-GQTOHGCDSA-N 1 0 337.811 2.652 10 10 EFCERO COc1ccc(C[NH2+][C@@H](CNC(=O)[C@H](C)SC)C(C)C)cc1C ZINC001496531860 1400800770 /nfs/dbraw/zinc/80/07/70/1400800770.db2.gz GIHBJQPSSKZZTC-HOCLYGCPSA-N 1 0 338.517 2.986 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)Cc2ccsc2)cc1C ZINC001497782444 1401653813 /nfs/dbraw/zinc/65/38/13/1401653813.db2.gz DQVANKNVHGNJLC-CQSZACIVSA-N 1 0 332.469 2.902 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2ccn(C)c2C)cc1C ZINC001497901558 1401728300 /nfs/dbraw/zinc/72/83/00/1401728300.db2.gz BWGSNAVPBBAAHL-CQSZACIVSA-N 1 0 329.444 2.559 10 10 EFCERO C[C@H](C[NH2+]CC1CCCC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001497994090 1401800011 /nfs/dbraw/zinc/80/00/11/1401800011.db2.gz DBTJYFXEXNUBNH-GFCCVEGCSA-N 1 0 331.420 2.747 10 10 EFCERO COc1ccc(C[NH2+]CCCN(C)C(=O)Cc2cncs2)cc1C ZINC001498562404 1402176661 /nfs/dbraw/zinc/17/66/61/1402176661.db2.gz VQKNWKQEARZKCR-UHFFFAOYSA-N 1 0 347.484 2.641 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](NC(=O)[C@@H]2CC2(F)F)C2CC2)cc1C ZINC001498759234 1402271746 /nfs/dbraw/zinc/27/17/46/1402271746.db2.gz MITSYOJVATTXCK-GJZGRUSLSA-N 1 0 338.398 2.643 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)N2CCC[C@H]2C[NH2+]C/C=C/Cl)cc1 ZINC001499954893 1402868851 /nfs/dbraw/zinc/86/88/51/1402868851.db2.gz JLXUDVDPRDIYCZ-LDJQATITSA-N 1 0 349.822 2.796 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)C[C@@H]3CCCO3)CCC2)cc1C ZINC001501916778 1403876153 /nfs/dbraw/zinc/87/61/53/1403876153.db2.gz KPVXBFNFDADIGR-KRWDZBQOSA-N 1 0 346.471 2.701 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2ncoc2C)cc1C ZINC001505570261 1404792244 /nfs/dbraw/zinc/79/22/44/1404792244.db2.gz KCBRGNFGGUUFSR-QWHCGFSZSA-N 1 0 331.416 2.597 10 10 EFCERO CCc1ncoc1C(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001505690751 1404943981 /nfs/dbraw/zinc/94/39/81/1404943981.db2.gz SFXODPZLYJVTGZ-UONOGXRCSA-N 1 0 345.443 2.851 10 10 EFCERO CCc1ncoc1C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001505690752 1404944261 /nfs/dbraw/zinc/94/42/61/1404944261.db2.gz SFXODPZLYJVTGZ-ZIAGYGMSSA-N 1 0 345.443 2.851 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C2(C)CCOCC2)cc1C ZINC001505709794 1404967946 /nfs/dbraw/zinc/96/79/46/1404967946.db2.gz JIHRKJDPPPGJME-JKSUJKDBSA-N 1 0 348.487 2.803 10 10 EFCERO C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@H](C)[NH2+]C/C=C/Cl ZINC001505764385 1405039857 /nfs/dbraw/zinc/03/98/57/1405039857.db2.gz FMWYAJZXVBELCX-XREIBPPMSA-N 1 0 337.811 2.698 10 10 EFCERO Cc1nnc(N(C)Cc2ccccc2O)n1C[C@H](CC(C)C)[NH+](C)C ZINC001511775130 1413130932 /nfs/dbraw/zinc/13/09/32/1413130932.db2.gz HXVFMRHHHSMHNE-KRWDZBQOSA-N 1 0 345.491 2.905 10 10 EFCERO CC[C@@H]1CCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)[C@H]1C ZINC001565273351 1415392307 /nfs/dbraw/zinc/39/23/07/1415392307.db2.gz VTRNLGVQZCBYFA-FUHWJXTLSA-N 1 0 344.503 2.768 10 10 EFCERO CC[C@@H]1CCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H]1C ZINC001565273352 1415392498 /nfs/dbraw/zinc/39/24/98/1415392498.db2.gz VTRNLGVQZCBYFA-SJLPKXTDSA-N 1 0 344.503 2.768 10 10 EFCERO C[C@@H]1CC[C@H](NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC001565355436 1415394025 /nfs/dbraw/zinc/39/40/25/1415394025.db2.gz KZJSTZMQHVBASR-UWWQBHOKSA-N 1 0 332.492 2.843 10 10 EFCERO CC[C@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001565857426 1415435239 /nfs/dbraw/zinc/43/52/39/1415435239.db2.gz GHLMBQNFTNHFHN-HEHGZKQESA-N 1 0 345.447 2.993 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)COC3CCCC3)C2)cc1C ZINC001566784079 1415774042 /nfs/dbraw/zinc/77/40/42/1415774042.db2.gz ZOGJIMZVUYCMEF-QAQDUYKDSA-N 1 0 346.471 2.700 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)CCc2ccoc2)cc1C ZINC001567007890 1415896904 /nfs/dbraw/zinc/89/69/04/1415896904.db2.gz CNGQOWGWCNJWBW-OAHLLOKOSA-N 1 0 330.428 2.824 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H](C)C(C)(F)F)cc1C ZINC001567053725 1415917499 /nfs/dbraw/zinc/91/74/99/1415917499.db2.gz CDAKCFUHHTUIPJ-QWHCGFSZSA-N 1 0 328.403 2.889 10 10 EFCERO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)CCCC(C)=O)C2)cc1C ZINC001567112793 1415937149 /nfs/dbraw/zinc/93/71/49/1415937149.db2.gz IHOVRCIQHYLUML-GOSISDBHSA-N 1 0 346.471 2.701 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@H]2C[C@@H]2C(F)F)cc1C ZINC001567213896 1415998423 /nfs/dbraw/zinc/99/84/23/1415998423.db2.gz GGCZPNPCQJJNNJ-SNPRPXQTSA-N 1 0 340.414 2.889 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)Cc2ccc(F)cc2)cc1C ZINC001567598078 1416204067 /nfs/dbraw/zinc/20/40/67/1416204067.db2.gz SXJBFWBYVQFZEX-UHFFFAOYSA-N 1 0 344.430 2.933 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2ccncc2F)cc1C ZINC001568163511 1416430285 /nfs/dbraw/zinc/43/02/85/1416430285.db2.gz CMBHHXPCTIVQBM-ZDUSSCGKSA-N 1 0 345.418 2.693 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2cccnc2)cc1C ZINC001568255270 1416456832 /nfs/dbraw/zinc/45/68/32/1416456832.db2.gz QVKFKJWKQFLVQS-OAHLLOKOSA-N 1 0 327.428 2.649 10 10 EFCERO CCC1(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCC1 ZINC001685608774 1416769122 /nfs/dbraw/zinc/76/91/22/1416769122.db2.gz GSXDGEOKNMVRFK-KRWDZBQOSA-N 1 0 332.492 2.987 10 10 EFCERO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC001686826515 1416810896 /nfs/dbraw/zinc/81/08/96/1416810896.db2.gz KDRBAAWSXPVBGG-YESZJQIVSA-N 1 0 346.519 2.726 10 10 EFCERO CC[C@@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)C1CC1 ZINC001687080875 1416841184 /nfs/dbraw/zinc/84/11/84/1416841184.db2.gz LPSMFWDVUUBNSG-MSOLQXFVSA-N 1 0 332.492 2.843 10 10 EFCERO COC[C@@H](C)CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001690747684 1417237085 /nfs/dbraw/zinc/23/70/85/1417237085.db2.gz GLWYVWQOGLJGOT-YJBOKZPZSA-N 1 0 348.487 2.614 10 10 EFCERO COC[C@H](C)C(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001713228095 1418400206 /nfs/dbraw/zinc/40/02/06/1418400206.db2.gz KZLPWIWRMQMKES-WMZOPIPTSA-N 1 0 348.487 2.614 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2cccc(C)n2)cc1C ZINC001713295307 1418459704 /nfs/dbraw/zinc/45/97/04/1418459704.db2.gz FFBOBXOXPHLJFP-HNNXBMFYSA-N 1 0 327.428 2.615 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2cccn2C)cc1C ZINC001713403765 1418510479 /nfs/dbraw/zinc/51/04/79/1418510479.db2.gz MDEAHPNWOMCVOA-OAHLLOKOSA-N 1 0 329.444 2.640 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](OC)C(C)C)cc1C ZINC001714744524 1418621448 /nfs/dbraw/zinc/62/14/48/1418621448.db2.gz CINRRONZBYLOKK-CRAIPNDOSA-N 1 0 336.476 2.611 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)Cc2cscn2)cc1C ZINC001715359905 1418667595 /nfs/dbraw/zinc/66/75/95/1418667595.db2.gz HLDRKOFIDSXNCL-AWEZNQCLSA-N 1 0 347.484 2.639 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)c2oncc2C)cc1C ZINC001715361926 1418668713 /nfs/dbraw/zinc/66/87/13/1418668713.db2.gz FXDXNMLXIJDEOH-AWEZNQCLSA-N 1 0 331.416 2.550 10 10 EFCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)c2ccnc(C)c2)cc1C ZINC001716355960 1418796500 /nfs/dbraw/zinc/79/65/00/1418796500.db2.gz IQHWVIVLHRUHGY-PLNGDYQASA-N 1 0 339.439 2.783 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)Cc2ccc(C)o2)cc1C ZINC001716392802 1418870217 /nfs/dbraw/zinc/87/02/17/1418870217.db2.gz JEMOQGCTCSCULN-CQSZACIVSA-N 1 0 330.428 2.742 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2cncc(Cl)c2)cc1C ZINC001716416071 1418876645 /nfs/dbraw/zinc/87/66/45/1418876645.db2.gz SYRLWSHUXCAFDH-CYBMUJFWSA-N 1 0 347.846 2.960 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2C[C@H]2c2ccco2)cc1C ZINC001716453448 1418888802 /nfs/dbraw/zinc/88/88/02/1418888802.db2.gz SISFGEZEXBLNTJ-USXIJHARSA-N 1 0 342.439 2.995 10 10 EFCERO CN(CCC[NH2+]CCC1CC1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001716588585 1418920219 /nfs/dbraw/zinc/92/02/19/1418920219.db2.gz RSDYOKKGMOBRKI-UHFFFAOYSA-N 1 0 331.420 2.701 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](NC(=O)c2ccncc2)C2CC2)cc1C ZINC001716604768 1418922345 /nfs/dbraw/zinc/92/23/45/1418922345.db2.gz XBEQOHNPYCSZPU-SFHVURJKSA-N 1 0 339.439 2.697 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](NC(=O)[C@@H](F)C(C)C)C2CC2)cc1C ZINC001716619974 1418926755 /nfs/dbraw/zinc/92/67/55/1418926755.db2.gz YCLJWHAGRKAEKF-WMZOPIPTSA-N 1 0 336.451 2.982 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)c3ccncc3F)CC2)cc1C ZINC001716678845 1418957080 /nfs/dbraw/zinc/95/70/80/1418957080.db2.gz SISPKBQZCKEFBV-UHFFFAOYSA-N 1 0 343.402 2.590 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)C3CC4(CC4)C3)CC2)cc1C ZINC001716693145 1418959577 /nfs/dbraw/zinc/95/95/77/1418959577.db2.gz BYKQGSBTVVZPSX-UHFFFAOYSA-N 1 0 328.456 2.932 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@H]3CO[C@H](C)C3)CCC2)cc1C ZINC001717153432 1419240427 /nfs/dbraw/zinc/24/04/27/1419240427.db2.gz QBKIHHSILMUTEQ-NVXWUHKLSA-N 1 0 346.471 2.557 10 10 EFCERO CC/C=C(\C)C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001717165632 1419244793 /nfs/dbraw/zinc/24/47/93/1419244793.db2.gz BHIGMHACWNZHNM-WCLIJEPQSA-N 1 0 346.471 2.677 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2cccn2C)cc1C ZINC001717399002 1419378438 /nfs/dbraw/zinc/37/84/38/1419378438.db2.gz MIBUPUJWJRNRKN-LSDHHAIUSA-N 1 0 329.444 2.639 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2n[nH]c(C)c2C)cc1C ZINC001717402954 1419380454 /nfs/dbraw/zinc/38/04/54/1419380454.db2.gz MUBXHEDJCCCKEH-LSDHHAIUSA-N 1 0 344.459 2.640 10 10 EFCERO C[C@@H](CN(C)C(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]C/C=C/Cl ZINC001717757218 1419537617 /nfs/dbraw/zinc/53/76/17/1419537617.db2.gz LYUABBPVGTWXNU-GQTOHGCDSA-N 1 0 337.811 2.652 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)c2ccn[nH]2)C(C)(C)C)cc1C ZINC001717954795 1419627257 /nfs/dbraw/zinc/62/72/57/1419627257.db2.gz QXRZEYXWCWHCIF-QGZVFWFLSA-N 1 0 344.459 2.661 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)CCc3ccoc3)CC2)cc1C ZINC001723508647 1424515009 /nfs/dbraw/zinc/51/50/09/1424515009.db2.gz NESRUCUGSUJPDW-UHFFFAOYSA-N 1 0 342.439 2.968 10 10 EFCERO C[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1C[NH2+]CCCF ZINC001724610566 1424830009 /nfs/dbraw/zinc/83/00/09/1424830009.db2.gz VFFYTXCXUGWOJV-JSGCOSHPSA-N 1 0 349.410 2.506 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@H](OC)C3CC3)CCC2)cc1C ZINC001724782742 1425010228 /nfs/dbraw/zinc/01/02/28/1425010228.db2.gz JMBRQFNNUYHSQI-GOSISDBHSA-N 1 0 346.471 2.557 10 10 EFCERO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)c2csnn2)cc1C ZINC001725394612 1425536369 /nfs/dbraw/zinc/53/63/69/1425536369.db2.gz JAUJMHQGJAISOC-ZDUSSCGKSA-N 1 0 348.472 2.543 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@H](OC)C(C)C)cc1C ZINC001725503993 1425623866 /nfs/dbraw/zinc/62/38/66/1425623866.db2.gz IDHGQFQONKEUJY-CRAIPNDOSA-N 1 0 336.476 2.611 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H](OC)C(C)C)cc1C ZINC001725503996 1425624342 /nfs/dbraw/zinc/62/43/42/1425624342.db2.gz IDHGQFQONKEUJY-MAUKXSAKSA-N 1 0 336.476 2.611 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)Cc2ccco2)cc1C ZINC001725514545 1425631910 /nfs/dbraw/zinc/63/19/10/1425631910.db2.gz JXNDQTBXKPJBFO-HNNXBMFYSA-N 1 0 330.428 2.776 10 10 EFCERO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1cc(Br)ccc1O ZINC000804739297 713456352 /nfs/dbraw/zinc/45/63/52/713456352.db2.gz VDCYJGRALZIQEA-PHIMTYICSA-N 1 0 341.249 2.644 10 10 EFCERO C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cc(Br)c(F)cc1[O-] ZINC000925787370 718019184 /nfs/dbraw/zinc/01/91/84/718019184.db2.gz YQCCJHIVFZDSGJ-UTLUCORTSA-N 1 0 331.229 2.800 10 10 EFCERO CCC1([NH+]2CCC2)CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000924382293 715070343 /nfs/dbraw/zinc/07/03/43/715070343.db2.gz PXZUCBBGIUGKNU-ALCCZGGFSA-N 1 0 330.428 2.588 10 10 EFCERO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000052594768 716354966 /nfs/dbraw/zinc/35/49/66/716354966.db2.gz SUPYCXBRPFNUDA-QGZVFWFLSA-N 1 0 332.492 2.768 10 10 EFCERO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000052594766 716354989 /nfs/dbraw/zinc/35/49/89/716354989.db2.gz SUPYCXBRPFNUDA-KRWDZBQOSA-N 1 0 332.492 2.768 10 10 EFCERO C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000925811971 718777991 /nfs/dbraw/zinc/77/79/91/718777991.db2.gz LNNCKROIGONNTO-SNVBAGLBSA-N 1 0 332.275 2.773 10 10 EFCERO COC(=O)[C@@H]1CSCC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000840976319 719997295 /nfs/dbraw/zinc/99/72/95/719997295.db2.gz DGONKEZEGFROEA-AWFCHZOYSA-N 1 0 334.485 2.604 10 10 EFCERO COC(=O)c1c(C[N@H+](C)C[C@@H]2CCCO2)c2cc(F)ccc2n1C ZINC000893926649 720164910 /nfs/dbraw/zinc/16/49/10/720164910.db2.gz WKALWCLVYOBPOV-ZDUSSCGKSA-N 1 0 334.391 2.715 10 10 EFCERO COC(=O)c1c(C[NH2+]C[C@@H]2CCCCO2)c2cc(F)ccc2n1C ZINC000894204214 721198815 /nfs/dbraw/zinc/19/88/15/721198815.db2.gz JRRDJWLWQJBLPE-ZDUSSCGKSA-N 1 0 334.391 2.763 10 10 EFCERO COc1cc(C)cc(C[NH2+][C@H]2CCCN(c3ccccc3)C2=O)c1O ZINC000894257279 721765133 /nfs/dbraw/zinc/76/51/33/721765133.db2.gz ODRCABBKPVSGGZ-KRWDZBQOSA-N 1 0 340.423 2.994 10 10 EFCERO CC[C@@H](O)CCC[NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894288635 721942153 /nfs/dbraw/zinc/94/21/53/721942153.db2.gz WHUXJXQDFXGUHJ-CYBMUJFWSA-N 1 0 336.407 2.745 10 10 EFCERO COC(=O)c1c(C[NH2+]CC[C@H]2CCOC2)c2cc(F)ccc2n1C ZINC000894445850 722738639 /nfs/dbraw/zinc/73/86/39/722738639.db2.gz PIWZGTVDDTVICR-LBPRGKRZSA-N 1 0 334.391 2.620 10 10 EFCERO C/C=C\C[C@@H](CO)[NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894479750 722752113 /nfs/dbraw/zinc/75/21/13/722752113.db2.gz KDWDJHCGOPCBMH-ZFDPJTLLSA-N 1 0 334.391 2.521 10 10 EFCERO COC(=O)c1c(C[NH2+]C[C@H]2CCC=CO2)c2cc(F)ccc2n1C ZINC000894530794 722773520 /nfs/dbraw/zinc/77/35/20/722773520.db2.gz MSKXPNNLUQZGPJ-CYBMUJFWSA-N 1 0 332.375 2.886 10 10 EFCERO COC(=O)c1c(C[NH2+]CCCC2(O)CCC2)c2cc(F)ccc2n1C ZINC000895034083 723056055 /nfs/dbraw/zinc/05/60/55/723056055.db2.gz OARKBXUCARQVTC-UHFFFAOYSA-N 1 0 348.418 2.889 10 10 EFCERO COC(=O)c1c(C[N@@H+]2C[C@H](C)C[C@@H](CO)C2)c2cc(F)ccc2n1C ZINC000895033677 723056140 /nfs/dbraw/zinc/05/61/40/723056140.db2.gz LPTDACAGTXGGFB-CHWSQXEVSA-N 1 0 348.418 2.554 10 10 EFCERO COC(=O)c1c(C[N@@H+]2C[C@H](C)C[C@H](CO)C2)c2cc(F)ccc2n1C ZINC000895033678 723056144 /nfs/dbraw/zinc/05/61/44/723056144.db2.gz LPTDACAGTXGGFB-OLZOCXBDSA-N 1 0 348.418 2.554 10 10 EFCERO COc1cc(C)cc(C[NH2+][C@H](C2CCOCC2)C2(CO)CCC2)c1O ZINC000895057332 723105751 /nfs/dbraw/zinc/10/57/51/723105751.db2.gz LDLFKOAKPOHULZ-LJQANCHMSA-N 1 0 349.471 2.757 10 10 EFCERO COc1ccc(O)c(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1 ZINC000896362175 723270201 /nfs/dbraw/zinc/27/02/01/723270201.db2.gz RDSVLDVDPNQIMS-IEBWSBKVSA-N 1 0 340.423 2.710 10 10 EFCERO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000896850728 723546037 /nfs/dbraw/zinc/54/60/37/723546037.db2.gz TXOWOHPSFZFNDC-VXGBXAGGSA-N 1 0 334.441 2.915 10 10 EFCERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCCSc1nccs1 ZINC000154665570 728851427 /nfs/dbraw/zinc/85/14/27/728851427.db2.gz CJJNBLXNYWHYET-ZDUSSCGKSA-N 1 0 342.534 2.751 10 10 EFCERO C[C@@H]1C[C@H](N(C)C(=O)NCCCSc2nccs2)CC[N@@H+]1C ZINC000154673791 728856516 /nfs/dbraw/zinc/85/65/16/728856516.db2.gz GEKRNSMPNRVOKB-CHWSQXEVSA-N 1 0 342.534 2.749 10 10 EFCERO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc4cc(O)c(O)cc4s3)CC[C@@H]21 ZINC000897016871 723946366 /nfs/dbraw/zinc/94/63/66/723946366.db2.gz MFEIPKNYXIHKIJ-YPMHNXCESA-N 1 0 346.452 2.869 10 10 EFCERO O=C1N(CC[NH2+]Cc2ccc3ccccc3c2O)C[C@@H]2CCCCN12 ZINC000895346971 724054643 /nfs/dbraw/zinc/05/46/43/724054643.db2.gz XGWYHDWCYYPOFL-KRWDZBQOSA-N 1 0 339.439 2.925 10 10 EFCERO CCOc1ccc(O)c(C[NH2+]Cc2cnc(Br)cn2)c1 ZINC000895409274 724120917 /nfs/dbraw/zinc/12/09/17/724120917.db2.gz ZRXSNLPLFJRZBL-UHFFFAOYSA-N 1 0 338.205 2.633 10 10 EFCERO CCC[C@H](CCO)[NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000895419121 724126105 /nfs/dbraw/zinc/12/61/05/724126105.db2.gz RPNXVFVNPJHXFZ-CYBMUJFWSA-N 1 0 336.407 2.745 10 10 EFCERO CC[C@@H](C[C@H](C)O)[NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000895464717 724147290 /nfs/dbraw/zinc/14/72/90/724147290.db2.gz ODGUBYXHXQVMNZ-AAEUAGOBSA-N 1 0 336.407 2.743 10 10 EFCERO COc1cc(Cl)cc(C[NH2+]C[C@H](CO)Cc2ccoc2)c1O ZINC000895591098 724217850 /nfs/dbraw/zinc/21/78/50/724217850.db2.gz IZTMVJOLWMLRHT-GFCCVEGCSA-N 1 0 325.792 2.588 10 10 EFCERO C[C@@H]1CCC[N@H+](CCNC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000895740089 724289106 /nfs/dbraw/zinc/28/91/06/724289106.db2.gz NRVCGQJRAWFXOD-LLVKDONJSA-N 1 0 334.441 2.774 10 10 EFCERO OC1CCN(c2ccc(C[N@@H+]3CC[C@@H]([C@H]4CCCO4)C3)cc2)CC1 ZINC000895847002 724348200 /nfs/dbraw/zinc/34/82/00/724348200.db2.gz XVLRSBCBMOEHCE-YLJYHZDGSA-N 1 0 330.472 2.649 10 10 EFCERO COC[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)[C@H]1CCCOC1 ZINC000895854340 724353424 /nfs/dbraw/zinc/35/34/24/724353424.db2.gz KFHSYHSRALOPCJ-SMDDNHRTSA-N 1 0 329.824 2.585 10 10 EFCERO OC1CCN(c2ccc(C[NH2+]CC3(C4(O)CCC4)CCC3)cc2)CC1 ZINC000895868418 724363465 /nfs/dbraw/zinc/36/34/65/724363465.db2.gz OIQVWHYVIUFYPZ-UHFFFAOYSA-N 1 0 344.499 2.823 10 10 EFCERO Cc1cc(C(=O)CN2C[C@H]3C[NH2+]C[C@H]3C2)c(C)n1-c1cccc(F)c1 ZINC000728913732 724884542 /nfs/dbraw/zinc/88/45/42/724884542.db2.gz GVMBATHVTDUOJB-IYBDPMFKSA-N 1 0 341.430 2.567 10 10 EFCERO CC[C@@H]([NH2+]C1COCCOC1)c1cc(Br)ccc1O ZINC000312108521 725630397 /nfs/dbraw/zinc/63/03/97/725630397.db2.gz XWTRVEFUXFOMGG-CYBMUJFWSA-N 1 0 330.222 2.611 10 10 EFCERO FC(F)(F)c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1CCCOC1 ZINC000163405656 726202358 /nfs/dbraw/zinc/20/23/58/726202358.db2.gz XOFDOBYUUQJGDD-AWEZNQCLSA-N 1 0 344.377 2.811 10 10 EFCERO C[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C1=CC[N@H+](C)CC1 ZINC000907282347 726907024 /nfs/dbraw/zinc/90/70/24/726907024.db2.gz DOUJXZLYKVHQNH-SNVBAGLBSA-N 1 0 332.425 2.693 10 10 EFCERO C[N@@H+]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC12CCCCC2 ZINC000908575445 727219439 /nfs/dbraw/zinc/21/94/39/727219439.db2.gz NWYLRBKAQMDIMF-UHFFFAOYSA-N 1 0 343.431 2.940 10 10 EFCERO Cc1cc(CC(=O)N2CC[C@H]([NH+]3CCC3)C2)c(C)n1-c1ccccc1 ZINC000912902049 727759105 /nfs/dbraw/zinc/75/91/05/727759105.db2.gz CVASUVOAONKYMS-FQEVSTJZSA-N 1 0 337.467 2.943 10 10 EFCERO COc1cc(C)cc(C[N@@H+]2CCC[C@H](Cc3noc(C)n3)C2)c1O ZINC000164285941 727932917 /nfs/dbraw/zinc/93/29/17/727932917.db2.gz MJFKGRSDYCBRQI-CQSZACIVSA-N 1 0 331.416 2.855 10 10 EFCERO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](Cc3noc(C)n3)C2)c1O ZINC000164286058 727933293 /nfs/dbraw/zinc/93/32/93/727933293.db2.gz MJFKGRSDYCBRQI-AWEZNQCLSA-N 1 0 331.416 2.855 10 10 EFCERO Cc1cc(C(=O)N2CCC([NH+](C)C)CC2)c(C)n1-c1ccccn1 ZINC000063734843 728643234 /nfs/dbraw/zinc/64/32/34/728643234.db2.gz NQUJTAYRRFQXAM-UHFFFAOYSA-N 1 0 326.444 2.655 10 10 EFCERO CN1CCC[C@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000920180000 729155619 /nfs/dbraw/zinc/15/56/19/729155619.db2.gz JZKYLZQUQJVXKU-INIZCTEOSA-N 1 0 332.448 2.769 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@H]3C[C@@H]3C(F)F)CC2)cc1C ZINC001569397760 1085178915 /nfs/dbraw/zinc/17/89/15/1085178915.db2.gz GAZKXLYMIOHNOE-KBPBESRZSA-N 1 0 338.398 2.643 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2ccsn2)cc1C ZINC001570611065 1086405786 /nfs/dbraw/zinc/40/57/86/1086405786.db2.gz NUQSCRFPHHOCIX-QWHCGFSZSA-N 1 0 333.457 2.757 10 10 EFCERO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)c2cc(C)n[nH]2)cc1C ZINC001571231724 1086682539 /nfs/dbraw/zinc/68/25/39/1086682539.db2.gz HZRGKIBVMWJFRG-AWEZNQCLSA-N 1 0 344.459 2.723 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C2=COCCC2)cc1C ZINC001571380747 1086772948 /nfs/dbraw/zinc/77/29/48/1086772948.db2.gz USAWPIRPNGTTOH-HNNXBMFYSA-N 1 0 332.444 2.634 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2C[C@@H]2C(F)F)cc1C ZINC001571385647 1086776098 /nfs/dbraw/zinc/77/60/98/1086776098.db2.gz LKDBYIHQZBYARK-QEJZJMRPSA-N 1 0 340.414 2.841 10 10 EFCERO Cc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c(O)c1 ZINC001647081245 1088853344 /nfs/dbraw/zinc/85/33/44/1088853344.db2.gz JPOXCDUDQDFJGU-SFHVURJKSA-N 1 0 341.455 2.799 10 10 EFCERO C[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001648054099 1089936330 /nfs/dbraw/zinc/93/63/30/1089936330.db2.gz OAVUYAJZAXEUGZ-VXGBXAGGSA-N 1 0 329.356 2.978 10 10 EFCERO CC(C)[N@@H+]1CCC[C@H](C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC001583627622 1092052574 /nfs/dbraw/zinc/05/25/74/1092052574.db2.gz AUVRKDYSVGPWJD-SFHVURJKSA-N 1 0 329.488 2.806 10 10 EFCERO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001583994283 1092094941 /nfs/dbraw/zinc/09/49/41/1092094941.db2.gz OHEKFQAOXZARPC-FMKPAKJESA-N 1 0 332.444 2.504 10 10 EFCERO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001583994284 1092095260 /nfs/dbraw/zinc/09/52/60/1092095260.db2.gz OHEKFQAOXZARPC-IIAWOOMASA-N 1 0 332.444 2.504 10 10 EFCERO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001583994286 1092095444 /nfs/dbraw/zinc/09/54/44/1092095444.db2.gz OHEKFQAOXZARPC-LZWOXQAQSA-N 1 0 332.444 2.504 10 10 EFCERO CN(CC[NH2+]CC1CC(C)(C)C1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001267137343 1092878711 /nfs/dbraw/zinc/87/87/11/1092878711.db2.gz PYPIGCWCRPGOKX-UHFFFAOYSA-N 1 0 345.447 2.947 10 10 EFCERO C[C@H](CCNC(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CC1CCC1 ZINC001267156869 1092955905 /nfs/dbraw/zinc/95/59/05/1092955905.db2.gz YLQAHVXTNLTJNW-GFCCVEGCSA-N 1 0 331.420 2.747 10 10 EFCERO COC(=O)/C=C/c1ccc(N(C)CC2([NH+](C)C)CCC2)c([N+](=O)[O-])c1 ZINC000588543820 1093032866 /nfs/dbraw/zinc/03/28/66/1093032866.db2.gz KMXJFEZUPNMXBN-VQHVLOKHSA-N 1 0 347.415 2.702 10 10 EFCERO c1cc(N2CCOCC2)ccc1CN[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001650630273 1093475288 /nfs/dbraw/zinc/47/52/88/1093475288.db2.gz KEOQDVIOTQAKHJ-FQEVSTJZSA-N 1 0 343.515 2.877 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)Cc2cccs2)cc1C ZINC001267340490 1093618638 /nfs/dbraw/zinc/61/86/38/1093618638.db2.gz GOCYFDPOBHEKGY-UHFFFAOYSA-N 1 0 332.469 2.856 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)c2cc(C(C)C)no2)cc1C ZINC001267435965 1094524582 /nfs/dbraw/zinc/52/45/82/1094524582.db2.gz HFQQSKUJJRPLAE-UHFFFAOYSA-N 1 0 345.443 2.977 10 10 EFCERO COCC[N@H+](Cc1cc(OC)cc(C(C)(C)C)c1O)[C@H]1CCOC1 ZINC000782963701 1094591784 /nfs/dbraw/zinc/59/17/84/1094591784.db2.gz SNMUEDYRPQGWDF-HNNXBMFYSA-N 1 0 337.460 2.936 10 10 EFCERO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H]3C3CCCC3)cc2)CC1 ZINC001598277479 1094666152 /nfs/dbraw/zinc/66/61/52/1094666152.db2.gz QDIMDEMDQKYSKW-VQTJNVASSA-N 1 0 341.499 2.881 10 10 EFCERO CCc1cc(C(=O)N(C)[C@@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)[nH]n1 ZINC001268049828 1094967995 /nfs/dbraw/zinc/96/79/95/1094967995.db2.gz MWQFDENUUVBRIO-AWEZNQCLSA-N 1 0 344.459 2.539 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H](OC)C2CCC2)cc1C ZINC001268075966 1095182840 /nfs/dbraw/zinc/18/28/40/1095182840.db2.gz OWJCLEDLCHVQBQ-HNAYVOBHSA-N 1 0 348.487 2.755 10 10 EFCERO CC[C@H](F)CN(CCNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001481199139 1095278022 /nfs/dbraw/zinc/27/80/22/1095278022.db2.gz FREQQOKKYXYAOK-ZDUSSCGKSA-N 1 0 349.410 2.791 10 10 EFCERO COCCC(=O)N1CCC[C@@H](C)[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001268180118 1096030406 /nfs/dbraw/zinc/03/04/06/1096030406.db2.gz LTVHKOOCQTYQSF-CRAIPNDOSA-N 1 0 348.487 2.757 10 10 EFCERO COc1ccc(C[NH2+][C@H](CNC(=O)[C@@]2(C)CCOC2)C(C)C)cc1C ZINC001268223630 1096126658 /nfs/dbraw/zinc/12/66/58/1096126658.db2.gz XIVZWCYFGJCZIR-XLIONFOSSA-N 1 0 348.487 2.661 10 10 EFCERO CC(C)=CC[N@@H+](C)CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001268259754 1096197376 /nfs/dbraw/zinc/19/73/76/1096197376.db2.gz PZWGGKNQGZTQTA-UHFFFAOYSA-N 1 0 331.420 2.819 10 10 EFCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)C(=O)C(C)(C)C)cc1C ZINC001268350815 1096374283 /nfs/dbraw/zinc/37/42/83/1096374283.db2.gz QZTQOGPCFYUOPG-AWEZNQCLSA-N 1 0 334.460 2.603 10 10 EFCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCCOCC2)cc1C ZINC001268359509 1096387895 /nfs/dbraw/zinc/38/78/95/1096387895.db2.gz QMPGWFFNPJSGNI-AEFFLSMTSA-N 1 0 348.487 2.805 10 10 EFCERO CC[C@@H](CNC(=O)c1c[nH]cc1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001481875596 1096840353 /nfs/dbraw/zinc/84/03/53/1096840353.db2.gz OJYQVKJPIZSMHL-INIZCTEOSA-N 1 0 329.444 2.938 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2cncc(C)c2)cc1C ZINC001268643213 1097497850 /nfs/dbraw/zinc/49/78/50/1097497850.db2.gz YDYAJAGONYRHRK-OAHLLOKOSA-N 1 0 327.428 2.615 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H](C)n2cccc2)cc1C ZINC001268681756 1097536041 /nfs/dbraw/zinc/53/60/41/1097536041.db2.gz JDEGUSNYCDCQIR-JKSUJKDBSA-N 1 0 329.444 2.661 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2ncccc2C)cc1C ZINC001268682326 1097536214 /nfs/dbraw/zinc/53/62/14/1097536214.db2.gz QJFNZUJAYQAORX-HNNXBMFYSA-N 1 0 327.428 2.615 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H](C)C(F)(F)F)cc1C ZINC001268700774 1097551728 /nfs/dbraw/zinc/55/17/28/1097551728.db2.gz TZOOXZLFNFUFEO-NWDGAFQWSA-N 1 0 332.366 2.796 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)C2(C(F)(F)F)CC2)cc1C ZINC001268705195 1097555201 /nfs/dbraw/zinc/55/52/01/1097555201.db2.gz GJJJMBNAEGDOKA-LBPRGKRZSA-N 1 0 344.377 2.940 10 10 EFCERO COc1ccc(C[NH2+]CC[C@H]2CCN(C(=O)C(F)F)C2)cc1C ZINC001279928361 1097816993 /nfs/dbraw/zinc/81/69/93/1097816993.db2.gz DDMHLWIPLBZSJA-ZDUSSCGKSA-N 1 0 326.387 2.597 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H](C)CSC)CC2)cc1C ZINC001269388526 1098104321 /nfs/dbraw/zinc/10/43/21/1098104321.db2.gz PWYCKHCJFXYKSG-AWEZNQCLSA-N 1 0 336.501 2.741 10 10 EFCERO CCOCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@H]1C ZINC001269907817 1098514223 /nfs/dbraw/zinc/51/42/23/1098514223.db2.gz TYHVMBJQOXLNJX-NVXWUHKLSA-N 1 0 334.460 2.509 10 10 EFCERO COCC(C)(C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001270098992 1098693820 /nfs/dbraw/zinc/69/38/20/1098693820.db2.gz YSMZINWJIOMFJW-QGZVFWFLSA-N 1 0 348.487 2.757 10 10 EFCERO CCC[C@@H](OC)C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267960654 1098919747 /nfs/dbraw/zinc/91/97/47/1098919747.db2.gz LGHPSHYQIWLFFO-IEBWSBKVSA-N 1 0 348.487 2.899 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2C[C@@H]2C(F)F)cc1C ZINC001482280463 1098975885 /nfs/dbraw/zinc/97/58/85/1098975885.db2.gz RQGUFAJVCOWZBX-SNPRPXQTSA-N 1 0 340.414 2.841 10 10 EFCERO COc1cc(N(C)CC[C@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])cc1OC ZINC001612039973 1099040956 /nfs/dbraw/zinc/04/09/56/1099040956.db2.gz QIRMFWDVYAHKQX-CYBMUJFWSA-N 1 0 337.420 2.923 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@H]2C[C@@H]2C(F)F)cc1C ZINC001270392279 1099044959 /nfs/dbraw/zinc/04/49/59/1099044959.db2.gz ATLMEZJEDFTOFW-UGFHNGPFSA-N 1 0 340.414 2.747 10 10 EFCERO CC[C@H](Cn1c(C)nnc1N(C)Cc1ccccc1O)[NH+]1CCCC1 ZINC001613614331 1099102525 /nfs/dbraw/zinc/10/25/25/1099102525.db2.gz ZQIQDLCJRNZSOO-QGZVFWFLSA-N 1 0 343.475 2.803 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2cccnc2C)cc1C ZINC001267999895 1099122422 /nfs/dbraw/zinc/12/24/22/1099122422.db2.gz ZXAJDTOLCIJWJJ-CQSZACIVSA-N 1 0 341.455 2.863 10 10 EFCERO C[NH+](C)[C@H]1CCC[C@H](C(=O)NCCCSc2nccs2)C1 ZINC001616241614 1099170878 /nfs/dbraw/zinc/17/08/78/1099170878.db2.gz PNLCWSMUMCSNGI-STQMWFEESA-N 1 0 327.519 2.862 10 10 EFCERO COc1ccc(C(=O)NC[C@@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)o1 ZINC001270551638 1099204130 /nfs/dbraw/zinc/20/41/30/1099204130.db2.gz SXFZKUIUTUBTLJ-ZDUSSCGKSA-N 1 0 346.427 2.761 10 10 EFCERO CCc1oncc1C(=O)NC[C@H](CC)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267820324 1099427410 /nfs/dbraw/zinc/42/74/10/1099427410.db2.gz DRRICXGOWOPXIJ-HNNXBMFYSA-N 1 0 345.443 2.852 10 10 EFCERO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCc3ccc4c(c3)CCCN4C)C[N@@H+]2C1 ZINC001626941078 1099938781 /nfs/dbraw/zinc/93/87/81/1099938781.db2.gz SSGLOUOLZQCQAE-LZQZEXGQSA-N 1 0 341.499 2.806 10 10 EFCERO CC[N@H+](CCCNC(=O)Cc1ccc(O)c(O)c1)C1CCCCC1 ZINC001628574781 1100114323 /nfs/dbraw/zinc/11/43/23/1100114323.db2.gz SBZWNZVCDJFDII-UHFFFAOYSA-N 1 0 334.460 2.801 10 10 EFCERO C=C/C=C/CC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC001630718750 1100333985 /nfs/dbraw/zinc/33/39/85/1100333985.db2.gz KYXPDSHSSSZMMM-ONEGZZNKSA-N 1 0 339.483 2.967 10 10 EFCERO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001633818490 1100567575 /nfs/dbraw/zinc/56/75/75/1100567575.db2.gz JIXWFLYKDMJPDW-YOEHRIQHSA-N 1 0 346.471 2.942 10 10 EFCERO COCCC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001482464386 1100681301 /nfs/dbraw/zinc/68/13/01/1100681301.db2.gz RYNQJVMREGAPFH-WMZOPIPTSA-N 1 0 348.487 2.757 10 10 EFCERO Cc1cc(CNC(=O)NCC[NH+]2CCC2)c(C)n1-c1cccc(C)c1 ZINC001637577594 1100791308 /nfs/dbraw/zinc/79/13/08/1100791308.db2.gz DXBBENOHJSVNOF-UHFFFAOYSA-N 1 0 340.471 2.907 10 10 EFCERO CCc1nnc(NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)nc1CC ZINC001640510866 1101055173 /nfs/dbraw/zinc/05/51/73/1101055173.db2.gz UMSRAGPSTSUSJD-GOSISDBHSA-N 1 0 342.491 2.777 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCCO2)c1O ZINC000848512978 1101468054 /nfs/dbraw/zinc/46/80/54/1101468054.db2.gz BPSJYKNQIRCNSI-ONGXEEELSA-N 1 0 330.222 2.993 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C3(C(F)F)CC3)C2)cc1C ZINC001266685525 1101888579 /nfs/dbraw/zinc/88/85/79/1101888579.db2.gz HGZCCQXMWDECKP-OKILXGFUSA-N 1 0 338.398 2.786 10 10 EFCERO CCOCCC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001271470196 1101995170 /nfs/dbraw/zinc/99/51/70/1101995170.db2.gz GEMYLRUDOZZVMB-SJLPKXTDSA-N 1 0 348.487 2.757 10 10 EFCERO C[C@H]([NH2+]CCCF)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001271562752 1102118292 /nfs/dbraw/zinc/11/82/92/1102118292.db2.gz UZUZYFOPYSUAMP-JSGCOSHPSA-N 1 0 349.410 2.649 10 10 EFCERO c1cc2c(cc1C[NH2+][C@H]1CCCC[C@H]1N1CCOCC1)CCCO2 ZINC001656709637 1102178467 /nfs/dbraw/zinc/17/84/67/1102178467.db2.gz DDYSCDQNQCFARB-RBUKOAKNSA-N 1 0 330.472 2.745 10 10 EFCERO c1cc2c(cc1C[NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1)CCCO2 ZINC001656709635 1102179059 /nfs/dbraw/zinc/17/90/59/1102179059.db2.gz DDYSCDQNQCFARB-MOPGFXCFSA-N 1 0 330.472 2.745 10 10 EFCERO CCOc1cccc(N2CC[NH+](Cc3ccc(OC)cc3O)CC2)n1 ZINC000092034100 1102523433 /nfs/dbraw/zinc/52/34/33/1102523433.db2.gz NMSGZEHIKXWRAP-UHFFFAOYSA-N 1 0 343.427 2.517 10 10 EFCERO COc1ccc(O)c([C@H](C)NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000075315240 1102535323 /nfs/dbraw/zinc/53/53/23/1102535323.db2.gz DUQCRVKUDKWNSI-AVOUXACISA-N 1 0 347.459 2.776 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CCc3ccco3)C2)cc1C ZINC001266576923 1102838713 /nfs/dbraw/zinc/83/87/13/1102838713.db2.gz ZOZWBTDFLRRIIT-QAQDUYKDSA-N 1 0 342.439 2.966 10 10 EFCERO COc1ccc2c(c1)c1c(n2Cc2nc(C3(N)CC3)no2)CCCC1 ZINC000905328123 1103059239 /nfs/dbraw/zinc/05/92/39/1103059239.db2.gz WBTIOEGIDFEWRJ-UHFFFAOYSA-N 1 0 338.411 2.908 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)CCc2ccncc2)cc1C ZINC001483244470 1103133856 /nfs/dbraw/zinc/13/38/56/1103133856.db2.gz YMBFYBDWDFZGOE-INIZCTEOSA-N 1 0 341.455 2.626 10 10 EFCERO COc1ccc(C[NH2+][C@H](CNC(=O)Cc2ccoc2)C2CC2)cc1C ZINC001661122259 1103136972 /nfs/dbraw/zinc/13/69/72/1103136972.db2.gz LBNNNEWACOLPHC-GOSISDBHSA-N 1 0 342.439 2.824 10 10 EFCERO C[C@]1(C2CC[NH+](Cc3cc4c(cc3O)CCC4)CC2)COC(=O)N1 ZINC000905703683 1103512669 /nfs/dbraw/zinc/51/26/69/1103512669.db2.gz DUMABPUIIXSVES-LJQANCHMSA-N 1 0 330.428 2.591 10 10 EFCERO COc1cc(O)c(C[NH+]2CCC(c3ccn(C)n3)CC2)cc1OC ZINC000905722592 1103558412 /nfs/dbraw/zinc/55/84/12/1103558412.db2.gz MOZHPWRMYKYHEO-UHFFFAOYSA-N 1 0 331.416 2.523 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)Cc2ccccc2)cc1C ZINC001662262875 1103641877 /nfs/dbraw/zinc/64/18/77/1103641877.db2.gz NMNFLWSNQMTAOW-MRXNPFEDSA-N 1 0 326.440 2.841 10 10 EFCERO COc1ccc(C[NH2+]CCCN(C)C(=O)c2c[nH]cc2C)cc1C ZINC001483509290 1103878634 /nfs/dbraw/zinc/87/86/34/1103878634.db2.gz IAKIYUPTOFQRBN-UHFFFAOYSA-N 1 0 329.444 2.892 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](NC(=O)COC(C)(C)C)C2CC2)cc1C ZINC001483556900 1103941988 /nfs/dbraw/zinc/94/19/88/1103941988.db2.gz XXNSMOVFKZCAJH-KRWDZBQOSA-N 1 0 348.487 2.803 10 10 EFCERO CCc1c(C(=O)N(C)CC[NH2+]Cc2ccc(OC)c(C)c2)ccn1C ZINC001664186585 1104312267 /nfs/dbraw/zinc/31/22/67/1104312267.db2.gz QMAQSIVDYMXUMF-UHFFFAOYSA-N 1 0 343.471 2.766 10 10 EFCERO CC[C@@H](CNC(=O)c1ccns1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001665799205 1104785959 /nfs/dbraw/zinc/78/59/59/1104785959.db2.gz RJPRBXUOJXCIOF-AWEZNQCLSA-N 1 0 333.457 2.758 10 10 EFCERO CCc1oncc1C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001666624837 1104971667 /nfs/dbraw/zinc/97/16/67/1104971667.db2.gz IZHUALMKEYCSEX-ZDUSSCGKSA-N 1 0 345.443 2.710 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)CC(C)(C)O)cc1C ZINC001667722625 1105187649 /nfs/dbraw/zinc/18/76/49/1105187649.db2.gz OHHRRWAJHLXTAM-IRXDYDNUSA-N 1 0 348.487 2.539 10 10 EFCERO CC[C@@H]1OCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001482939872 1105207986 /nfs/dbraw/zinc/20/79/86/1105207986.db2.gz VRSQDEQPGSOWQI-MSOLQXFVSA-N 1 0 348.487 2.757 10 10 EFCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H](C)n2cccc2)cc1C ZINC001668780163 1105370564 /nfs/dbraw/zinc/37/05/64/1105370564.db2.gz OTRGTAYVKSGYCZ-VGOKWCNXSA-N 1 0 341.455 2.828 10 10 EFCERO CCc1nc(C(=O)NC/C=C\C[NH2+]Cc2ccc(OC)c(C)c2)co1 ZINC001668786486 1105372041 /nfs/dbraw/zinc/37/20/41/1105372041.db2.gz NDVSWHVCONRLIW-WAYWQWQTSA-N 1 0 343.427 2.630 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)Cc2cccc(F)c2)cc1C ZINC001669467524 1105486397 /nfs/dbraw/zinc/48/63/97/1105486397.db2.gz RIPAMRFBOXTDLD-OAHLLOKOSA-N 1 0 344.430 2.980 10 10 EFCERO CCc1c(C(=O)N[C@@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)ccn1C ZINC001669664470 1105506324 /nfs/dbraw/zinc/50/63/24/1105506324.db2.gz JMWXXVSHMMWZFT-HNNXBMFYSA-N 1 0 343.471 2.813 10 10 EFCERO COc1ccc(C[NH2+]CCCN(C)C(=O)c2ocnc2C)cc1C ZINC001670055853 1105573657 /nfs/dbraw/zinc/57/36/57/1105573657.db2.gz KOMWPMQXJYVJEP-UHFFFAOYSA-N 1 0 331.416 2.552 10 10 EFCERO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897631188 1106005983 /nfs/dbraw/zinc/00/59/83/1106005983.db2.gz RXZRGOLUNNAHNI-LBPRGKRZSA-N 1 0 334.441 2.869 10 10 EFCERO COc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c(O)c1 ZINC000897630593 1106010521 /nfs/dbraw/zinc/01/05/21/1106010521.db2.gz DBDLGFYOPGEULS-IEBWSBKVSA-N 1 0 340.423 2.710 10 10 EFCERO CC[N@H+](C)[C@@H]1CCN(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC001673744236 1106080905 /nfs/dbraw/zinc/08/09/05/1106080905.db2.gz KMYVURMFUWESPH-QFBILLFUSA-N 1 0 346.519 2.728 10 10 EFCERO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc3cc(O)c(O)cc3s1)C2 ZINC000897877679 1106127290 /nfs/dbraw/zinc/12/72/90/1106127290.db2.gz YKIWQFYYLJOQOO-GOSISDBHSA-N 1 0 346.452 2.870 10 10 EFCERO CN(CC(C)(C)C[NH2+]CC1CC1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001674878023 1106269903 /nfs/dbraw/zinc/26/99/03/1106269903.db2.gz WFBWCABXKMUKOJ-UHFFFAOYSA-N 1 0 345.447 2.947 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C2CC2)N(C)C(=O)c2ccc[nH]2)cc1C ZINC001676192461 1106496261 /nfs/dbraw/zinc/49/62/61/1106496261.db2.gz DYUCOWILRJNIEH-GOSISDBHSA-N 1 0 341.455 2.972 10 10 EFCERO COc1ccc(C[NH2+][C@H](CO)CNC(=O)C2CCCCCC2)cc1C ZINC001676511452 1106538233 /nfs/dbraw/zinc/53/82/33/1106538233.db2.gz SZXLIOVCABCGRM-SFHVURJKSA-N 1 0 348.487 2.541 10 10 EFCERO COCCC(=O)N[C@H](C[NH2+]Cc1ccc(OC)c(C)c1)C(C)(C)C ZINC001677224042 1106678001 /nfs/dbraw/zinc/67/80/01/1106678001.db2.gz VYRBWNNOICOLOS-QGZVFWFLSA-N 1 0 336.476 2.661 10 10 EFCERO CC(C)[NH2+]C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(C)(C)C ZINC001677306504 1106695031 /nfs/dbraw/zinc/69/50/31/1106695031.db2.gz KGVMWFRGKJUJMG-CQSZACIVSA-N 1 0 333.436 2.992 10 10 EFCERO COCC(C)(C)C(=O)N(C)C1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001677410507 1106714951 /nfs/dbraw/zinc/71/49/51/1106714951.db2.gz CTBDPABBJCCEAI-UHFFFAOYSA-N 1 0 348.487 2.755 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)COC(C)(C)C)CC2)cc1C ZINC001483728422 1108372865 /nfs/dbraw/zinc/37/28/65/1108372865.db2.gz MHMLNGGJGXXJEQ-UHFFFAOYSA-N 1 0 334.460 2.557 10 10 EFCERO O=C(NCc1c(O)cccc1F)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000905148432 1108459104 /nfs/dbraw/zinc/45/91/04/1108459104.db2.gz NJMLLFRAUMMZAN-OAHLLOKOSA-N 1 0 347.390 2.761 10 10 EFCERO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC001682101674 1108569279 /nfs/dbraw/zinc/56/92/79/1108569279.db2.gz ULRCUQBZBGWCDC-APWZRJJASA-N 1 0 346.519 2.776 10 10 EFCERO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCc1cccc(Cl)c1O ZINC001682112879 1108575174 /nfs/dbraw/zinc/57/51/74/1108575174.db2.gz QQVJCTLOOITIFT-AWEZNQCLSA-N 1 0 339.867 2.965 10 10 EFCERO CC[C@H]([NH2+]C[C@@H](O)c1ccnn1C)c1ccc(C(F)(F)F)cc1O ZINC000927132228 1108949534 /nfs/dbraw/zinc/94/95/34/1108949534.db2.gz UCRWORPVPKJUJT-SWLSCSKDSA-N 1 0 343.349 2.919 10 10 EFCERO CCN(C(=O)c1cc2cc(O)c(O)cc2s1)[C@H]1CC[N@H+](CC)C1 ZINC000898674291 1109052000 /nfs/dbraw/zinc/05/20/00/1109052000.db2.gz DMPCHLICXRLVGX-LBPRGKRZSA-N 1 0 334.441 2.869 10 10 EFCERO C[NH+](C)[C@H]1C[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C12CCC2 ZINC000898825559 1109099770 /nfs/dbraw/zinc/09/97/70/1109099770.db2.gz KMNDSQXMDMWDHY-HOTGVXAUSA-N 1 0 346.452 2.915 10 10 EFCERO CC[C@H]([NH2+][C@@H](CC)c1cc(Br)ccc1O)C(=O)NC ZINC000697921515 1109224508 /nfs/dbraw/zinc/22/45/08/1109224508.db2.gz WAIXDNOBRORYCZ-RYUDHWBXSA-N 1 0 329.238 2.720 10 10 EFCERO CC1([NH+]2CCC2)CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000899224004 1109256544 /nfs/dbraw/zinc/25/65/44/1109256544.db2.gz LAGAGFBGURYPOA-UHFFFAOYSA-N 1 0 329.404 2.549 10 10 EFCERO C[C@@H]1COC[C@@H](C)C1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000924760177 1109426110 /nfs/dbraw/zinc/42/61/10/1109426110.db2.gz OPSJQNSJTBIUOB-HZPDHXFCSA-N 1 0 332.488 2.656 10 10 EFCERO COCCN1CC[C@@H]([NH2+]CCc2cc(C)n(-c3ccccc3)c2C)C1 ZINC000784495567 1111316289 /nfs/dbraw/zinc/31/62/89/1111316289.db2.gz PADNURJLIYLXTD-HXUWFJFHSA-N 1 0 341.499 2.947 10 10 EFCERO Cc1ccc(O)c(CNCc2ncn(Cc3cccc(F)c3)n2)c1 ZINC000780589565 1111796866 /nfs/dbraw/zinc/79/68/66/1111796866.db2.gz MEGGGKRCIUFVEM-UHFFFAOYSA-N 1 0 326.375 2.769 10 10 EFCERO CC(C)=CC[NH2+]C1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001483793663 1112453976 /nfs/dbraw/zinc/45/39/76/1112453976.db2.gz BJOFNPOBXBDLSM-UHFFFAOYSA-N 1 0 329.404 2.667 10 10 EFCERO CCC[NH2+]C[C@]1(C)CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001484127767 1112802233 /nfs/dbraw/zinc/80/22/33/1112802233.db2.gz GBSUHOCVJYNYNS-KRWDZBQOSA-N 1 0 331.420 2.701 10 10 EFCERO CCO[C@H](C)C(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CCC1 ZINC001484626095 1113075927 /nfs/dbraw/zinc/07/59/27/1113075927.db2.gz RCDPVYWQJBWJDL-OAHLLOKOSA-N 1 0 334.460 2.557 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@H](OC)C(C)C)CCC2)cc1C ZINC001484649033 1113091357 /nfs/dbraw/zinc/09/13/57/1113091357.db2.gz CTVZKUTUYNVBDN-GOSISDBHSA-N 1 0 348.487 2.803 10 10 EFCERO COc1ccc(C[NH2+]CC2CC(NC(=O)[C@H](OC)C(C)C)C2)cc1C ZINC001485100714 1118037203 /nfs/dbraw/zinc/03/72/03/1118037203.db2.gz IGIMWRVITZMFTF-FAFZWHIHSA-N 1 0 348.487 2.659 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2ccccn2)cc1C ZINC001485115409 1118050519 /nfs/dbraw/zinc/05/05/19/1118050519.db2.gz YWBZSTWBMJALAI-CABCVRRESA-N 1 0 327.428 2.695 10 10 EFCERO CCN(CC)c1ccc(C[NH+]2CCN(c3ccnc(C)n3)CC2)cc1 ZINC000184766872 1119455091 /nfs/dbraw/zinc/45/50/91/1119455091.db2.gz CIRAESYRLPGYMQ-UHFFFAOYSA-N 1 0 339.487 2.953 10 10 EFCERO CN(C)c1ccc(C[NH2+]Cc2ccc(-n3cncn3)c(F)c2)cc1 ZINC000055472419 214325639 /nfs/dbraw/zinc/32/56/39/214325639.db2.gz UKFNHZMQTHLEQI-UHFFFAOYSA-N 1 0 325.391 2.762 10 10 EFCERO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@H](C)n1cccn1 ZINC000069372346 215391172 /nfs/dbraw/zinc/39/11/72/215391172.db2.gz QMZULVRIGSMLCD-GJZGRUSLSA-N 1 0 332.423 2.598 10 10 EFCERO Oc1cc2c(cc1O)C[C@@H]([NH2+][C@H]1CCc3cc(O)c(O)cc3C1)CC2 ZINC000026971302 212543163 /nfs/dbraw/zinc/54/31/63/212543163.db2.gz BMWKPVFVSFFXHB-HOTGVXAUSA-N 1 0 341.407 2.513 10 10 EFCERO CCOC(=O)c1csc(CC[NH2+]Cc2ccc3c(c2)CCO3)n1 ZINC000190348684 239907011 /nfs/dbraw/zinc/90/70/11/239907011.db2.gz JOYDJNBVCMOOIQ-UHFFFAOYSA-N 1 0 332.425 2.587 10 10 EFCERO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCN(c3ncccn3)C2)c1 ZINC000192813660 240064349 /nfs/dbraw/zinc/06/43/49/240064349.db2.gz WBOUHHPNBWUHLY-ZIAGYGMSSA-N 1 0 328.416 2.510 10 10 EFCERO Cc1cc(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c(C)n1-c1ccccn1 ZINC000195061707 240201911 /nfs/dbraw/zinc/20/19/11/240201911.db2.gz HDZRSADTJSMGDE-KRWDZBQOSA-N 1 0 338.455 2.799 10 10 EFCERO O[C@@]12CCCC[C@H]1C[N@H+](Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000245683410 240260169 /nfs/dbraw/zinc/26/01/69/240260169.db2.gz ACANCLOKOMPCGL-AZUAARDMSA-N 1 0 330.472 2.650 10 10 EFCERO C[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1N1CCOCC1 ZINC000245771575 240262446 /nfs/dbraw/zinc/26/24/46/240262446.db2.gz RXIYIIJCMYBIGV-IAQYHMDHSA-N 1 0 345.270 2.852 10 10 EFCERO C[C@H]([NH2+]C[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1cc(F)ccc1O ZINC000248530531 240291969 /nfs/dbraw/zinc/29/19/69/240291969.db2.gz XMOOGNAOKSDDGE-BMGDILEWSA-N 1 0 344.430 2.817 10 10 EFCERO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cccc(O)c2O)C1 ZINC000248715706 240294025 /nfs/dbraw/zinc/29/40/25/240294025.db2.gz DVWOWIDSHSSNOI-LSDHHAIUSA-N 1 0 332.444 2.824 10 10 EFCERO Cc1cc(-c2nc([C@H]3C[NH2+]CCN3C)no2)c(C)n1-c1ccccc1 ZINC000263302158 240383257 /nfs/dbraw/zinc/38/32/57/240383257.db2.gz XFCHJOVPOFTZEO-QGZVFWFLSA-N 1 0 337.427 2.720 10 10 EFCERO O=C1[C@H]([NH2+][C@H]2CCc3cccc(O)c32)CCN1Cc1ccc(F)cc1 ZINC000296270269 241081766 /nfs/dbraw/zinc/08/17/66/241081766.db2.gz CCROCXAULCWWJY-DLBZAZTESA-N 1 0 340.398 2.909 10 10 EFCERO CN(Cc1ccccc1O)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000298961455 241165031 /nfs/dbraw/zinc/16/50/31/241165031.db2.gz XGITUVHDSIIOOW-SFHVURJKSA-N 1 0 341.455 2.707 10 10 EFCERO Cc1cc(O)c(C[N@@H+]2CCCC[C@H]2CCS(C)(=O)=O)cc1C ZINC000367833635 242394071 /nfs/dbraw/zinc/39/40/71/242394071.db2.gz SAXNGIUTPDZLLQ-INIZCTEOSA-N 1 0 325.474 2.798 10 10 EFCERO C[C@@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000367998579 242398232 /nfs/dbraw/zinc/39/82/32/242398232.db2.gz UJUJOWKPJZPTBA-UKRRQHHQSA-N 1 0 344.434 2.594 10 10 EFCERO Oc1ccccc1C[N@H+]1CCc2nnc(Cc3ccccc3)n2CC1 ZINC000019800170 212069896 /nfs/dbraw/zinc/06/98/96/212069896.db2.gz NRSUZDPJYSJZJP-UHFFFAOYSA-N 1 0 334.423 2.633 10 10 EFCERO COC(=O)c1cc2ccccc2c(C[NH+]2CCC(OC)CC2)c1O ZINC000012615596 211423894 /nfs/dbraw/zinc/42/38/94/211423894.db2.gz RZKZRFAKRKZDCA-UHFFFAOYSA-N 1 0 329.396 2.943 10 10 EFCERO C[C@H](C[NH2+][C@H](C)c1ccc(Br)cc1O)N1CCOCC1 ZINC000184935961 473278430 /nfs/dbraw/zinc/27/84/30/473278430.db2.gz JVXGRALHNCQRNS-VXGBXAGGSA-N 1 0 343.265 2.526 10 10 EFCERO Cc1ccc([C@H](C)[NH2+]C[C@H](O)CN2CCc3ccccc3C2)c(O)c1 ZINC000184992242 473294983 /nfs/dbraw/zinc/29/49/83/473294983.db2.gz QXITWZQGZHGGRY-LPHOPBHVSA-N 1 0 340.467 2.770 10 10 EFCERO C[C@H]([NH2+]C[C@H](O)CN1CCCCC1)c1cc2c(cc1O)CCCC2 ZINC000185115322 473333165 /nfs/dbraw/zinc/33/31/65/473333165.db2.gz UFEVKPCGIKRBJX-YJBOKZPZSA-N 1 0 332.488 2.768 10 10 EFCERO C[C@@H]([NH2+]CC1(C)OCCCO1)c1cc(Br)ccc1O ZINC000190648426 473344057 /nfs/dbraw/zinc/34/40/57/473344057.db2.gz XHMKXWXXGDQJPG-SNVBAGLBSA-N 1 0 330.222 2.958 10 10 EFCERO Oc1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]Cc2cncnc2)C1 ZINC000113359197 473387325 /nfs/dbraw/zinc/38/73/25/473387325.db2.gz YIRJLSSTPOFQNF-MRXNPFEDSA-N 1 0 332.835 2.590 10 10 EFCERO COc1ccc(C[C@@H]2c3cc(O)c(O)cc3CC[N@H+]2C)cc1OC ZINC000005209057 471492465 /nfs/dbraw/zinc/49/24/65/471492465.db2.gz ZZYIFMUYXDOBLG-OAHLLOKOSA-N 1 0 329.396 2.887 10 10 EFCERO OCC1CCN(c2ccc(C[NH2+]Cc3cccc(O)c3)cc2)CC1 ZINC000067247489 472010343 /nfs/dbraw/zinc/01/03/43/472010343.db2.gz XGQBSVGHCUQDDT-UHFFFAOYSA-N 1 0 326.440 2.891 10 10 EFCERO O=C1NCCN1C1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000054566707 472097761 /nfs/dbraw/zinc/09/77/61/472097761.db2.gz DYBHYCXWVJRPHJ-UHFFFAOYSA-N 1 0 325.412 2.535 10 10 EFCERO Oc1cc2c(cc1O)C[C@H]([NH2+][C@@H]1CCc3cc(O)c(O)cc3C1)CC2 ZINC000026971281 472157288 /nfs/dbraw/zinc/15/72/88/472157288.db2.gz BMWKPVFVSFFXHB-HZPDHXFCSA-N 1 0 341.407 2.513 10 10 EFCERO CCOC(=O)Cc1cc(C[NH+]2CCCC2)c([O-])c(C[NH+]2CCCC2)c1 ZINC000029556394 472282840 /nfs/dbraw/zinc/28/28/40/472282840.db2.gz DCYZIFGZYMPQGX-UHFFFAOYSA-N 1 0 346.471 2.689 10 10 EFCERO CN(C)c1ccc(/C=C/C(=O)NCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000030317412 472326893 /nfs/dbraw/zinc/32/68/93/472326893.db2.gz BVJNMJASDSGFIH-FMIVXFBMSA-N 1 0 349.478 2.940 10 10 EFCERO Cc1cnn([C@H](C)[C@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000069459649 472349203 /nfs/dbraw/zinc/34/92/03/472349203.db2.gz IIONPCPZRZFWPS-JKSUJKDBSA-N 1 0 346.450 2.907 10 10 EFCERO COc1cc(Br)cc(C[NH2+]CCc2ccccn2)c1O ZINC000069656703 472390056 /nfs/dbraw/zinc/39/00/56/472390056.db2.gz PPXIGNHQVPONBD-UHFFFAOYSA-N 1 0 337.217 2.891 10 10 EFCERO CS[C@@H](C)CC(=O)N[C@H](C)c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000097021858 472411352 /nfs/dbraw/zinc/41/13/52/472411352.db2.gz MJKUIZKJTOBVQP-LSDHHAIUSA-N 1 0 335.517 2.757 10 10 EFCERO CC[N@H+](CCc1nccs1)Cc1cc(=O)oc2cc(O)c(O)cc12 ZINC000097135219 472458001 /nfs/dbraw/zinc/45/80/01/472458001.db2.gz IOXUNCVMEKOEBH-UHFFFAOYSA-N 1 0 346.408 2.725 10 10 EFCERO CCOCc1cc(C[NH2+][C@@H]2CCN(C(C)=O)C[C@@H]2C)ccc1OC ZINC000089987039 472572167 /nfs/dbraw/zinc/57/21/67/472572167.db2.gz QCCCTVFEOYPKQO-KBXCAEBGSA-N 1 0 334.460 2.578 10 10 EFCERO CCOc1ccc(O)c(C[N@H+](C)[C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000120248811 472656490 /nfs/dbraw/zinc/65/64/90/472656490.db2.gz NFHMDTZHLSEWPO-MRXNPFEDSA-N 1 0 342.443 2.682 10 10 EFCERO c1csc(SCCC[NH2+]Cc2ccccc2-n2cncn2)n1 ZINC000078869793 472780578 /nfs/dbraw/zinc/78/05/78/472780578.db2.gz XRHCHXDAARGYED-UHFFFAOYSA-N 1 0 331.470 2.996 10 10 EFCERO CC[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1cc(Br)ccc1O ZINC000091667351 472790785 /nfs/dbraw/zinc/79/07/85/472790785.db2.gz ZXYWUOBDDPTPRL-OCCSQVGLSA-N 1 0 343.265 2.526 10 10 EFCERO Cc1ccnc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC000091676139 472791509 /nfs/dbraw/zinc/79/15/09/472791509.db2.gz FCKXAGKALGBYHW-UHFFFAOYSA-N 1 0 337.471 2.929 10 10 EFCERO Cc1ccc(O)c(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000121298235 472832461 /nfs/dbraw/zinc/83/24/61/472832461.db2.gz HIAOYGLXALJCSN-UHFFFAOYSA-N 1 0 327.428 2.564 10 10 EFCERO CN(C)c1ccc(CN(C)C(=O)[C@H](Cc2ccccc2)[NH+](C)C)cc1 ZINC000106427791 472850433 /nfs/dbraw/zinc/85/04/33/472850433.db2.gz LRXCWWAPYYFVCK-FQEVSTJZSA-N 1 0 339.483 2.884 10 10 EFCERO COc1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc(OC)c1 ZINC000048747415 472907595 /nfs/dbraw/zinc/90/75/95/472907595.db2.gz XNUFAETZADELDB-UHFFFAOYSA-N 1 0 342.439 2.830 10 10 EFCERO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](Cc3noc(C)n3)C2)c1 ZINC000092814234 472990688 /nfs/dbraw/zinc/99/06/88/472990688.db2.gz AVKRACKTYDOCFL-CQSZACIVSA-N 1 0 331.416 2.937 10 10 EFCERO CCc1nccn1[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000122940004 473077074 /nfs/dbraw/zinc/07/70/74/473077074.db2.gz ITWRZAXDIHJMTA-AWEZNQCLSA-N 1 0 329.400 2.717 10 10 EFCERO c1n[nH]cc1[C@H]1CCCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000093438147 473108470 /nfs/dbraw/zinc/10/84/70/473108470.db2.gz RDSJIJBFZUEQJE-LJQANCHMSA-N 1 0 326.444 2.974 10 10 EFCERO CCOC(=O)C1(O)CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000093595767 473121857 /nfs/dbraw/zinc/12/18/57/473121857.db2.gz XVIOFDIMVYTQDO-UHFFFAOYSA-N 1 0 346.471 2.567 10 10 EFCERO CN(C)c1ccc(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000075313455 473165880 /nfs/dbraw/zinc/16/58/80/473165880.db2.gz KCCRFGMQDZJJPV-ZNXRZULTSA-N 1 0 330.476 2.567 10 10 EFCERO Cc1cc(Br)cc(C[NH2+]CC2(C)OCCCO2)c1O ZINC000190839754 473406618 /nfs/dbraw/zinc/40/66/18/473406618.db2.gz BLNDVNXVZYELEM-UHFFFAOYSA-N 1 0 330.222 2.706 10 10 EFCERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCN3C)C12CCOCC2 ZINC000185658025 473480306 /nfs/dbraw/zinc/48/03/06/473480306.db2.gz GGTSYCVLLOONDK-RBUKOAKNSA-N 1 0 330.472 2.743 10 10 EFCERO C[C@@H]([NH2+][C@@H]1CCCn2ncnc21)c1ccc(Br)cc1O ZINC000185663370 473481397 /nfs/dbraw/zinc/48/13/97/473481397.db2.gz RQCNLWBZQJSMHB-BXKDBHETSA-N 1 0 337.221 2.932 10 10 EFCERO C[C@@H]([NH2+][C@@H]1CCCn2ncnc21)c1cc(Br)ccc1O ZINC000185662427 473482026 /nfs/dbraw/zinc/48/20/26/473482026.db2.gz FHBYUOXAIAHJIN-BXKDBHETSA-N 1 0 337.221 2.932 10 10 EFCERO CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2cc(C)ccc2O)ncn1 ZINC000185992275 473566674 /nfs/dbraw/zinc/56/66/74/473566674.db2.gz ZBWBFHOEZMRWRY-GJZGRUSLSA-N 1 0 341.459 2.852 10 10 EFCERO CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2cc(F)ccc2O)ncn1 ZINC000185992783 473567119 /nfs/dbraw/zinc/56/71/19/473567119.db2.gz CHAABBZZFHZYMI-JSGCOSHPSA-N 1 0 345.422 2.683 10 10 EFCERO CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2ccc(C)cc2O)ncn1 ZINC000185992733 473567217 /nfs/dbraw/zinc/56/72/17/473567217.db2.gz NRVDRJVGNNBAOU-HUUCEWRRSA-N 1 0 341.459 2.852 10 10 EFCERO COc1ccc(O)c([C@H](C)[NH2+]CCCNC(=O)c2cccs2)c1 ZINC000186031592 473575241 /nfs/dbraw/zinc/57/52/41/473575241.db2.gz FIMZFXDZVKRFJR-LBPRGKRZSA-N 1 0 334.441 2.933 10 10 EFCERO CCC[N@H+](Cc1cn(C)nc1C(=O)OCC)Cc1ccccc1O ZINC000186202089 473614853 /nfs/dbraw/zinc/61/48/53/473614853.db2.gz BERPIMSZXKPTJN-UHFFFAOYSA-N 1 0 331.416 2.715 10 10 EFCERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000153702277 473637845 /nfs/dbraw/zinc/63/78/45/473637845.db2.gz OQYHIYPQOKKKFR-GOSISDBHSA-N 1 0 344.503 2.838 10 10 EFCERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000153702167 473637876 /nfs/dbraw/zinc/63/78/76/473637876.db2.gz OQYHIYPQOKKKFR-SFHVURJKSA-N 1 0 344.503 2.838 10 10 EFCERO Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3ccc(C)cc3O)C2=O)n(C)n1 ZINC000186328023 473650127 /nfs/dbraw/zinc/65/01/27/473650127.db2.gz PLIOZKMVQKYTKQ-ZBFHGGJFSA-N 1 0 342.443 2.589 10 10 EFCERO COc1cc(O)c(CN2CCCC[C@@H]([NH+]3CCCC3)C2)cc1OC ZINC000179957387 473763822 /nfs/dbraw/zinc/76/38/22/473763822.db2.gz HDSXCWDTEKJLBE-MRXNPFEDSA-N 1 0 334.460 2.860 10 10 EFCERO Cc1occc1C(=O)NC1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000180027112 473780229 /nfs/dbraw/zinc/78/02/29/473780229.db2.gz CBEHUSLNGLFKAC-UHFFFAOYSA-N 1 0 328.412 2.996 10 10 EFCERO Cc1cc(Cl)cc(C[N@H+]2CCCN(Cc3cnn(C)c3)CC2)c1O ZINC000180111762 473802213 /nfs/dbraw/zinc/80/22/13/473802213.db2.gz OSINCQMEHAVBEL-UHFFFAOYSA-N 1 0 348.878 2.795 10 10 EFCERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc(N2CCCCC2)c(F)c1 ZINC000180493492 473890475 /nfs/dbraw/zinc/89/04/75/473890475.db2.gz CIGZJKBXTFCUFH-WBVHZDCISA-N 1 0 335.467 2.797 10 10 EFCERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc(N2CCCCC2)c(F)c1 ZINC000180493453 473890935 /nfs/dbraw/zinc/89/09/35/473890935.db2.gz CIGZJKBXTFCUFH-NVXWUHKLSA-N 1 0 335.467 2.797 10 10 EFCERO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000269925276 473919947 /nfs/dbraw/zinc/91/99/47/473919947.db2.gz LPSVPZFMAQDEJI-IPMKNSEASA-N 1 0 328.456 2.570 10 10 EFCERO C[C@H]([NH2+]Cc1cccc(N2CCOCC2)n1)c1cc(F)ccc1O ZINC000274771299 473951855 /nfs/dbraw/zinc/95/18/55/473951855.db2.gz HQCOYNIIFGOPSD-ZDUSSCGKSA-N 1 0 331.391 2.614 10 10 EFCERO CC[C@@H]([NH2+][C@@H]1CCCN(c2ccnn2CC)C1=O)c1ccccc1O ZINC000188547350 474124580 /nfs/dbraw/zinc/12/45/80/474124580.db2.gz CPEFQDNVKWSPQQ-HZPDHXFCSA-N 1 0 342.443 2.845 10 10 EFCERO C[NH+](C)Cc1cc(CNC(=O)NCc2ccccc2O)ccc1F ZINC000265245816 474171091 /nfs/dbraw/zinc/17/10/91/474171091.db2.gz PUKRJPUCMGFQEF-UHFFFAOYSA-N 1 0 331.391 2.592 10 10 EFCERO COC(=O)/C=C/c1ccc(N(C)C[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000265198879 474171168 /nfs/dbraw/zinc/17/11/68/474171168.db2.gz JCDOTRPKNOMIDP-HEWZJLJBSA-N 1 0 347.415 2.559 10 10 EFCERO CC[NH+]1CCN(c2ccc(CNc3nc(C)ns3)cc2F)CC1 ZINC000266319015 474429159 /nfs/dbraw/zinc/42/91/59/474429159.db2.gz FNBPILYEZOMDQE-UHFFFAOYSA-N 1 0 335.452 2.740 10 10 EFCERO CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000284073433 474564328 /nfs/dbraw/zinc/56/43/28/474564328.db2.gz QPTHNIQMYVAPIJ-MJGOQNOKSA-N 1 0 334.504 2.925 10 10 EFCERO COc1cccc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c1O ZINC000290279810 474565841 /nfs/dbraw/zinc/56/58/41/474565841.db2.gz YZVSVJSJVGUWDX-JSGCOSHPSA-N 1 0 336.432 2.888 10 10 EFCERO CCOC(=O)c1csc(CC[NH2+]Cc2ccc(N(C)C)cc2)n1 ZINC000190342756 474581833 /nfs/dbraw/zinc/58/18/33/474581833.db2.gz RTQFOIXPUPSREP-UHFFFAOYSA-N 1 0 333.457 2.718 10 10 EFCERO CCCC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000184685425 474584026 /nfs/dbraw/zinc/58/40/26/474584026.db2.gz WDJLHJRJXSJRFP-AWEZNQCLSA-N 1 0 340.851 2.935 10 10 EFCERO CCOc1ccc(O)c(C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)c1 ZINC000291025627 474590950 /nfs/dbraw/zinc/59/09/50/474590950.db2.gz ASODTUZJHFILMI-FQEVSTJZSA-N 1 0 327.424 2.927 10 10 EFCERO COC(=O)c1cc(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)c[nH]1 ZINC000252539883 474696593 /nfs/dbraw/zinc/69/65/93/474696593.db2.gz OPZCOSDBJIASAI-UHFFFAOYSA-N 1 0 343.427 2.569 10 10 EFCERO CN(C)c1ccc(C[NH2+]CCc2cnn(C)c2)c(C(F)(F)F)c1 ZINC000279800531 474993884 /nfs/dbraw/zinc/99/38/84/474993884.db2.gz DSNHGVLGANRFJA-UHFFFAOYSA-N 1 0 326.366 2.837 10 10 EFCERO CC[C@H]([NH2+]Cc1cc(Br)cc(C)c1O)[C@H](O)C(F)F ZINC000295111208 475103965 /nfs/dbraw/zinc/10/39/65/475103965.db2.gz VATRAAOQWVWMFN-JQWIXIFHSA-N 1 0 338.192 2.957 10 10 EFCERO COc1cccc(C[NH2+][C@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)c1O ZINC000374266295 476465225 /nfs/dbraw/zinc/46/52/25/476465225.db2.gz VFASSMAORNOJCN-YOEHRIQHSA-N 1 0 340.423 2.680 10 10 EFCERO Oc1cc2c(cc1C[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1)OCO2 ZINC000374472510 476483414 /nfs/dbraw/zinc/48/34/14/476483414.db2.gz QEXSCIPXXFWDAB-LIRRHRJNSA-N 1 0 327.380 2.988 10 10 EFCERO Oc1cc2c(cc1C[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1)OCO2 ZINC000374472509 476483646 /nfs/dbraw/zinc/48/36/46/476483646.db2.gz QEXSCIPXXFWDAB-KUHUBIRLSA-N 1 0 327.380 2.988 10 10 EFCERO CCOc1ccc(O)c(C[N@H+](C)C2CCN(c3cnccn3)CC2)c1 ZINC000370042086 476645673 /nfs/dbraw/zinc/64/56/73/476645673.db2.gz ILECYAJXKRYLCK-UHFFFAOYSA-N 1 0 342.443 2.682 10 10 EFCERO c1cc(C[C@H]2CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)ccn1 ZINC000378631361 476723457 /nfs/dbraw/zinc/72/34/57/476723457.db2.gz JCCRREMBIANGRN-HXUWFJFHSA-N 1 0 337.467 2.983 10 10 EFCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC(CF)CF)C1 ZINC000452327007 476917203 /nfs/dbraw/zinc/91/72/03/476917203.db2.gz NKFLWTVORJUMCJ-UHFFFAOYSA-N 1 0 349.425 2.832 10 10 EFCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCCOC2)C1 ZINC000457788933 477199037 /nfs/dbraw/zinc/19/90/37/477199037.db2.gz KJXORYLEQWCVKA-UHFFFAOYSA-N 1 0 341.455 2.614 10 10 EFCERO c1nc(C2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)c[nH]1 ZINC000371333599 477251061 /nfs/dbraw/zinc/25/10/61/477251061.db2.gz DTUVIIQRGYNNIC-UHFFFAOYSA-N 1 0 326.444 2.626 10 10 EFCERO C[C@H]([NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1)c1ccccc1O ZINC000376797129 477506022 /nfs/dbraw/zinc/50/60/22/477506022.db2.gz TWYFCPNFFNGSCZ-GJZGRUSLSA-N 1 0 346.452 2.506 10 10 EFCERO Cc1cc(O)c(C[N@@H+]2CCCC[C@@H]2CCS(C)(=O)=O)cc1C ZINC000367833636 477709841 /nfs/dbraw/zinc/70/98/41/477709841.db2.gz SAXNGIUTPDZLLQ-MRXNPFEDSA-N 1 0 325.474 2.798 10 10 EFCERO [O-]c1ccc(Cl)c(F)c1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530248497 477880127 /nfs/dbraw/zinc/88/01/27/477880127.db2.gz LFDCZCHDYSJCIY-ZDUSSCGKSA-N 1 0 342.842 2.775 10 10 EFCERO CC[C@H]([NH2+]C[C@@H](O)[C@@H]1CCCO1)c1ccc(C(F)(F)F)cc1O ZINC000527953184 478584844 /nfs/dbraw/zinc/58/48/44/478584844.db2.gz KIPXRKOSFOUGFW-CFVMTHIKSA-N 1 0 333.350 2.992 10 10 EFCERO COc1ccc(CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)c(O)c1 ZINC000528145867 478657082 /nfs/dbraw/zinc/65/70/82/478657082.db2.gz FNVHRMOFWMEIIY-INIZCTEOSA-N 1 0 347.459 2.607 10 10 EFCERO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000566296987 479090386 /nfs/dbraw/zinc/09/03/86/479090386.db2.gz JSQQCXOENUPOHM-JKSUJKDBSA-N 1 0 331.460 2.776 10 10 EFCERO COc1cc(O)c(C[NH2+]C[C@@]2(C)COc3ccccc3O2)cc1OC ZINC000529638063 479232163 /nfs/dbraw/zinc/23/21/63/479232163.db2.gz XRKYMMAQAOAYBI-IBGZPJMESA-N 1 0 345.395 2.729 10 10 EFCERO CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000659284377 481334825 /nfs/dbraw/zinc/33/48/25/481334825.db2.gz HRIXQBCGLBVQSO-KRWDZBQOSA-N 1 0 337.423 2.713 10 10 EFCERO CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000659284378 481334881 /nfs/dbraw/zinc/33/48/81/481334881.db2.gz HRIXQBCGLBVQSO-QGZVFWFLSA-N 1 0 337.423 2.713 10 10 EFCERO C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc3c(c2)CCCN3C)CC[N@@H+]1C ZINC000174447540 533891976 /nfs/dbraw/zinc/89/19/76/533891976.db2.gz CQXNVTDWYSMAFR-CRAIPNDOSA-N 1 0 344.503 2.693 10 10 EFCERO CCOc1ccc(O)c(C[NH2+]C[C@H](CO)Cc2ccc(F)cc2)c1 ZINC000263655623 535751513 /nfs/dbraw/zinc/75/15/13/535751513.db2.gz FQYIQQMQBNSRRQ-OAHLLOKOSA-N 1 0 333.403 2.871 10 10 EFCERO CC(=O)c1ccc2c(c1)CC[N@@H+](Cc1cc3c(cc1O)OCO3)CC2 ZINC000755774853 575631757 /nfs/dbraw/zinc/63/17/57/575631757.db2.gz WNNQCOAZVMPJEC-UHFFFAOYSA-N 1 0 339.391 2.924 10 10 EFCERO C[C@@H]1CN(C)C[C@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000756113520 575686472 /nfs/dbraw/zinc/68/64/72/575686472.db2.gz JUTXAMBIQBBXPB-CXAGYDPISA-N 1 0 339.430 2.797 10 10 EFCERO C[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1)c1cc2c(cc1O)CCCC2 ZINC000756731266 575781923 /nfs/dbraw/zinc/78/19/23/575781923.db2.gz FXQVXNRABVEEQR-UALQAHIBSA-N 1 0 328.456 2.931 10 10 EFCERO C[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)c1cc2c(cc1O)CCCC2 ZINC000756731265 575782040 /nfs/dbraw/zinc/78/20/40/575782040.db2.gz FXQVXNRABVEEQR-RGFKIIKPSA-N 1 0 328.456 2.931 10 10 EFCERO C[C@H]1C[C@H]([NH2+]CCC2CCS(=O)(=O)CC2)c2c1c(F)ccc2O ZINC000756778953 575786237 /nfs/dbraw/zinc/78/62/37/575786237.db2.gz HCDQSTXLHBRVFS-FZMZJTMJSA-N 1 0 341.448 2.884 10 10 EFCERO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000757802021 575853423 /nfs/dbraw/zinc/85/34/23/575853423.db2.gz YLWIYCIVGFPRRR-UYAOXDASSA-N 1 0 346.471 2.735 10 10 EFCERO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000757801923 575853444 /nfs/dbraw/zinc/85/34/44/575853444.db2.gz YLWIYCIVGFPRRR-AZUAARDMSA-N 1 0 346.471 2.735 10 10 EFCERO CC[N@@H+]1C[C@H](C)N(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000765643703 577062234 /nfs/dbraw/zinc/06/22/34/577062234.db2.gz SNQJEPCXCNEYKP-QPJKDDTCSA-N 1 0 347.415 2.700 10 10 EFCERO COc1ccc(C[NH2+][C@@H]2CCCN(c3cc(C)nn3C)C2)cc1C ZINC000767741742 577231209 /nfs/dbraw/zinc/23/12/09/577231209.db2.gz RBQLHMJOEIKDRJ-QGZVFWFLSA-N 1 0 328.460 2.804 10 10 EFCERO COc1cccc(N2C[C@@H]([NH2+]Cc3ccc(N(C)C)cc3)CC2=O)c1 ZINC000725853336 577251125 /nfs/dbraw/zinc/25/11/25/577251125.db2.gz OQZSNXMSXQMWBR-INIZCTEOSA-N 1 0 339.439 2.656 10 10 EFCERO CN(Cc1cc2c(cc1O)OCO2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000768245560 577262780 /nfs/dbraw/zinc/26/27/80/577262780.db2.gz SZNWCMRUUKDPEY-KRWDZBQOSA-N 1 0 340.423 2.827 10 10 EFCERO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768448312 577274649 /nfs/dbraw/zinc/27/46/49/577274649.db2.gz BTSXAESHNBIJMP-ORPRQENYSA-N 1 0 341.407 2.780 10 10 EFCERO CCOc1ccc(C[NH+]2CCC(c3nnc4n3CCC4)CC2)c(O)c1 ZINC000768855398 577310541 /nfs/dbraw/zinc/31/05/41/577310541.db2.gz DBFPISKMRVKQJT-UHFFFAOYSA-N 1 0 342.443 2.708 10 10 EFCERO COc1cccc(O)c1C[NH+]1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000769225723 577345700 /nfs/dbraw/zinc/34/57/00/577345700.db2.gz PKRITRQBIZIPQS-AWEZNQCLSA-N 1 0 334.460 2.774 10 10 EFCERO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)cc1F ZINC000769405394 577360112 /nfs/dbraw/zinc/36/01/12/577360112.db2.gz UYHOEAFXSNFFMI-MRXNPFEDSA-N 1 0 333.451 2.726 10 10 EFCERO CCn1nc(C)cc1C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000726562987 577374131 /nfs/dbraw/zinc/37/41/31/577374131.db2.gz UCFMFWIWFRFCOV-UHFFFAOYSA-N 1 0 342.443 2.619 10 10 EFCERO Cn1ncc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1C1CC1 ZINC000769923093 577393796 /nfs/dbraw/zinc/39/37/96/577393796.db2.gz LAZGOXVCDRJSMX-UHFFFAOYSA-N 1 0 325.460 2.661 10 10 EFCERO OC[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccsc1 ZINC000769935372 577394207 /nfs/dbraw/zinc/39/42/07/577394207.db2.gz SQLWFBBBFLKBKM-INIZCTEOSA-N 1 0 336.432 2.547 10 10 EFCERO Fc1cc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)ccc1N1CCOCC1 ZINC000770286541 577410025 /nfs/dbraw/zinc/41/00/25/577410025.db2.gz QQOMALAWEQGNHM-WMZOPIPTSA-N 1 0 334.435 2.663 10 10 EFCERO CCN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)cc1 ZINC000773757394 581462050 /nfs/dbraw/zinc/46/20/50/581462050.db2.gz YQHDTHIPBTYXRD-HXUWFJFHSA-N 1 0 331.504 2.829 10 10 EFCERO CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(C[NH+](C)C)nc1 ZINC000773883750 581472046 /nfs/dbraw/zinc/47/20/46/581472046.db2.gz LGRPVUBYPJAKAF-UHFFFAOYSA-N 1 0 340.471 2.872 10 10 EFCERO COc1ccccc1CC[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774879195 581503060 /nfs/dbraw/zinc/50/30/60/581503060.db2.gz WZZXDDQUESUPLW-UHFFFAOYSA-N 1 0 346.383 2.992 10 10 EFCERO CC(C)(C)OC(=O)N1CCCC[C@@H]([NH2+]Cc2ccc(O)cc2O)C1 ZINC000301358925 1249744548 /nfs/dbraw/zinc/74/45/48/1249744548.db2.gz DYJGRFBLICJQBY-CQSZACIVSA-N 1 0 336.432 2.977 10 10 EFCERO O=C(CSc1ncc(Cl)s1)NC1CC[NH+](C2CC2)CC1 ZINC000849998920 1250215274 /nfs/dbraw/zinc/21/52/74/1250215274.db2.gz KMDONMUYDCTRFM-UHFFFAOYSA-N 1 0 331.894 2.632 10 10 EFCERO C[C@@H]([NH2+]Cc1cnn2c1CCC2)c1ccc(N2CCOCC2)cc1 ZINC000850076775 1250265199 /nfs/dbraw/zinc/26/51/99/1250265199.db2.gz CHVATOCKCQOSAG-OAHLLOKOSA-N 1 0 326.444 2.517 10 10 EFCERO COc1cc(C[NH2+]CC[C@H](C)[S@@](C)=O)c(O)c(C(C)(C)C)c1 ZINC000850193624 1250345711 /nfs/dbraw/zinc/34/57/11/1250345711.db2.gz VPMOXXOLUQFXJY-AMXDTQDGSA-N 1 0 327.490 2.945 10 10 EFCERO CC[C@H](C)OCC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001690703911 1248116178 /nfs/dbraw/zinc/11/61/78/1248116178.db2.gz FKAPXXHCRFILTD-WMZOPIPTSA-N 1 0 348.487 2.757 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)[C@H](C)n2cccc2)cc1C ZINC001691292468 1248609813 /nfs/dbraw/zinc/60/98/13/1248609813.db2.gz AGRWVSAKJINHNZ-INIZCTEOSA-N 1 0 329.444 2.614 10 10 EFCERO COC[C@@H](CC[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)OC ZINC000850346682 1250440282 /nfs/dbraw/zinc/44/02/82/1250440282.db2.gz WTKZKEHQEROCGU-CQSZACIVSA-N 1 0 325.449 2.839 10 10 EFCERO COc1ccc(N2CC[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000850346381 1250441188 /nfs/dbraw/zinc/44/11/88/1250441188.db2.gz TUSYMLIRFLHCBF-HNNXBMFYSA-N 1 0 327.384 2.972 10 10 EFCERO COc1ccc(N2CC[C@@H]([NH2+]Cc3cccc4c3OCCO4)C2)cc1 ZINC000850345840 1250442608 /nfs/dbraw/zinc/44/26/08/1250442608.db2.gz MBXNRTTXROEHHC-MRXNPFEDSA-N 1 0 340.423 2.835 10 10 EFCERO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)[C@H]1C ZINC000850346815 1250442782 /nfs/dbraw/zinc/44/27/82/1250442782.db2.gz KTJBUSZNVQSZJE-FPXQBCRKSA-N 1 0 346.471 2.841 10 10 EFCERO CCOc1cccc(C[NH2+]Cc2cnc(C(F)(F)F)nc2)c1O ZINC000850344903 1250442861 /nfs/dbraw/zinc/44/28/61/1250442861.db2.gz BFCOSOQQVOUAHP-UHFFFAOYSA-N 1 0 327.306 2.890 10 10 EFCERO Cc1cc(O)c(C[NH2+]CC[S@@](=O)CC(F)(F)F)c(Cl)c1 ZINC000850349708 1250444338 /nfs/dbraw/zinc/44/43/38/1250444338.db2.gz IZQPOMIRHCTMRO-HXUWFJFHSA-N 1 0 329.771 2.755 10 10 EFCERO CCN(CC)c1ccc(C[NH2+]CC[S@@](=O)CC(F)(F)F)cc1 ZINC000850349200 1250444347 /nfs/dbraw/zinc/44/43/47/1250444347.db2.gz AEMZRAHBFCIJHC-JOCHJYFZSA-N 1 0 336.423 2.933 10 10 EFCERO CC(C)[C@@H](O)[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000850395044 1250463374 /nfs/dbraw/zinc/46/33/74/1250463374.db2.gz MPVRYAYZSRSTJS-RBUKOAKNSA-N 1 0 329.396 2.969 10 10 EFCERO CN(C)c1ccc(/C=C\C[NH2+]C2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000850395563 1250465294 /nfs/dbraw/zinc/46/52/94/1250465294.db2.gz ASPICJBNPLPGIO-HZQHCPKGSA-N 1 0 329.488 2.609 10 10 EFCERO CCS(=O)(=O)C1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000850398887 1250467049 /nfs/dbraw/zinc/46/70/49/1250467049.db2.gz SSJYMSLFCUACKA-UHFFFAOYSA-N 1 0 336.501 2.734 10 10 EFCERO OC1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CCC(F)(F)CC1 ZINC000850404576 1250468172 /nfs/dbraw/zinc/46/81/72/1250468172.db2.gz ORAWWRRWXJHFBI-UHFFFAOYSA-N 1 0 340.414 2.553 10 10 EFCERO Cc1nc(F)ccc1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850406464 1250469671 /nfs/dbraw/zinc/46/96/71/1250469671.db2.gz HIAAPAYBAAKHIN-UHFFFAOYSA-N 1 0 329.419 2.780 10 10 EFCERO COC(=O)CC(C)(C)C[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000850427216 1250485972 /nfs/dbraw/zinc/48/59/72/1250485972.db2.gz PDYYONXXFKNJKD-MRXNPFEDSA-N 1 0 348.487 2.981 10 10 EFCERO COc1cccc([C@@H](C)[NH2+]Cc2ccc(CNC(C)=O)cc2)c1O ZINC000850484973 1250499522 /nfs/dbraw/zinc/49/95/22/1250499522.db2.gz WAEVJXCTBKFLQO-CYBMUJFWSA-N 1 0 328.412 2.888 10 10 EFCERO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCCc4c3cnn4C)C2)cc1 ZINC000850489586 1250501401 /nfs/dbraw/zinc/50/14/01/1250501401.db2.gz VRZQXKWZAWUERP-KBXCAEBGSA-N 1 0 326.444 2.675 10 10 EFCERO Cc1cc(C)c([C@H](C)[NH2+]CCC2(CS(C)(=O)=O)CC2)c(O)c1 ZINC000850487059 1250504130 /nfs/dbraw/zinc/50/41/30/1250504130.db2.gz XWESVGLQEGRWAU-AWEZNQCLSA-N 1 0 325.474 2.875 10 10 EFCERO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCCc4nn(C)cc43)C2)cc1 ZINC000850487494 1250504267 /nfs/dbraw/zinc/50/42/67/1250504267.db2.gz HEADYLWJRJQYST-KBXCAEBGSA-N 1 0 326.444 2.675 10 10 EFCERO COc1ccc(O)c([C@H](C)[NH2+][C@H]2Cc3ccccc3N(C)C2=O)c1 ZINC000850500259 1250510106 /nfs/dbraw/zinc/51/01/06/1250510106.db2.gz FAENPRNKYPNFTA-LRDDRELGSA-N 1 0 326.396 2.639 10 10 EFCERO C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(F)cc1[O-] ZINC000850509707 1250514759 /nfs/dbraw/zinc/51/47/59/1250514759.db2.gz RCJXAQHWMMNKTR-KDOFPFPSSA-N 1 0 344.430 2.949 10 10 EFCERO C[C@H]([NH2+][C@@H]1C[C@@H](O)C12CCC2)c1ccc(N2CCOCC2)c(F)c1 ZINC000850546707 1250530237 /nfs/dbraw/zinc/53/02/37/1250530237.db2.gz OKRUYVKGKMWPOZ-MORSLUCNSA-N 1 0 334.435 2.616 10 10 EFCERO C[C@@H]([NH2+]CC1CCC(O)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000850554010 1250533191 /nfs/dbraw/zinc/53/31/91/1250533191.db2.gz GRKYTXOVKBSIPZ-HPUBIQBYSA-N 1 0 336.451 2.864 10 10 EFCERO C[C@H]([NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2)c1cc(F)ccc1O ZINC000850557054 1250534863 /nfs/dbraw/zinc/53/48/63/1250534863.db2.gz KKYFBEDMNSRKDT-MORSLUCNSA-N 1 0 334.435 2.825 10 10 EFCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)C1=COCCC1 ZINC001273294418 1265653498 /nfs/dbraw/zinc/65/34/98/1265653498.db2.gz WSWSOEFEYFUGDS-UHFFFAOYSA-N 1 0 332.444 2.636 10 10 EFCERO CN(CCC[N@H+](C)CC1CC1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001484769887 1252938492 /nfs/dbraw/zinc/93/84/92/1252938492.db2.gz PGWOZTKJFZUBMV-UHFFFAOYSA-N 1 0 331.420 2.653 10 10 EFCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2C[C@@H]2C(F)F)cc1C ZINC001272757201 1257423069 /nfs/dbraw/zinc/42/30/69/1257423069.db2.gz QVIPNEZJHFTDCW-SNPRPXQTSA-N 1 0 340.414 2.889 10 10 EFCERO Fc1cc(C[NH2+]Cc2ccnn2C2CCC2)ccc1N1CCOCC1 ZINC000921561256 1257478543 /nfs/dbraw/zinc/47/85/43/1257478543.db2.gz WFLFEPMOBJRCMG-UHFFFAOYSA-N 1 0 344.434 2.874 10 10 EFCERO C[C@H]([NH2+]Cc1cnn(CCF)c1)c1ccc(N2CCOCC2)cc1 ZINC000921593039 1257500945 /nfs/dbraw/zinc/50/09/45/1257500945.db2.gz PGMDGJWQFNFYTC-HNNXBMFYSA-N 1 0 332.423 2.540 10 10 EFCERO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000921583763 1257506894 /nfs/dbraw/zinc/50/68/94/1257506894.db2.gz ZZYIDSQTFVSTRT-IPMKNSEASA-N 1 0 330.472 2.818 10 10 EFCERO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCCN3CCSC[C@H]23)cc1F ZINC000922524991 1266199904 /nfs/dbraw/zinc/19/99/04/1266199904.db2.gz KVDWBCBADCNGDV-NVXWUHKLSA-N 1 0 341.471 2.700 10 10 EFCERO C[C@@H]1[C@@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCN1C ZINC000922559835 1266243090 /nfs/dbraw/zinc/24/30/90/1266243090.db2.gz OXSDDOBZNLBBLS-ZBFHGGJFSA-N 1 0 332.448 2.767 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCN2C)c1O ZINC000903317450 1260133363 /nfs/dbraw/zinc/13/33/63/1260133363.db2.gz TYODKBHZAAXIGJ-GXSJLCMTSA-N 1 0 329.238 2.518 10 10 EFCERO C[N@@H+]1CC[C@@H](NC(=O)NCc2c(O)cccc2F)[C@H]1c1ccccc1 ZINC000921677616 1260276058 /nfs/dbraw/zinc/27/60/58/1260276058.db2.gz FQUYFIQOPGTNPV-SJLPKXTDSA-N 1 0 343.402 2.776 10 10 EFCERO Oc1ccc(Br)cc1CN[C@H]1CC[NH2+]C12CCCC2 ZINC000843128404 1261188286 /nfs/dbraw/zinc/18/82/86/1261188286.db2.gz LCNFMRYOIGXFAH-AWEZNQCLSA-N 1 0 325.250 2.919 10 10 EFCERO CCN(CC)c1ccc(C[NH2+]CC2(C3(O)CCOCC3)CC2)cc1 ZINC000922598421 1266403862 /nfs/dbraw/zinc/40/38/62/1266403862.db2.gz GKAHVRRQNOULBH-UHFFFAOYSA-N 1 0 332.488 2.944 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2[nH]ccc2C)cc1C ZINC001485874149 1262458383 /nfs/dbraw/zinc/45/83/83/1262458383.db2.gz UVRHXCSELGMKQF-HNNXBMFYSA-N 1 0 329.444 2.890 10 10 EFCERO CC(C)C[NH2+]C[C@@H]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001486223063 1262830021 /nfs/dbraw/zinc/83/00/21/1262830021.db2.gz XGURHNACMNDKFJ-CJNGLKHVSA-N 1 0 345.447 2.993 10 10 EFCERO CCN(CC)c1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)cc1 ZINC000824653332 1278216323 /nfs/dbraw/zinc/21/63/23/1278216323.db2.gz AHAGNUOGLZYHBS-DFQSSKMNSA-N 1 0 332.488 2.895 10 10 EFCERO Cn1ccnc1C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000733334859 1265173852 /nfs/dbraw/zinc/17/38/52/1265173852.db2.gz SCRFPMKDZZOIRC-HNNXBMFYSA-N 1 0 334.851 2.533 10 10 EFCERO Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@@](O)(C(F)F)C2)c1 ZINC000824726610 1278263937 /nfs/dbraw/zinc/26/39/37/1278263937.db2.gz POSDYOBLEGWQHU-ZDUSSCGKSA-N 1 0 336.176 2.665 10 10 EFCERO CCOc1ccc(O)c(C[NH2+]C[C@H]2CCCN2CC(F)(F)F)c1 ZINC000922707513 1266628155 /nfs/dbraw/zinc/62/81/55/1266628155.db2.gz CYTVIYHNJHXEGC-CYBMUJFWSA-N 1 0 332.366 2.907 10 10 EFCERO C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000825130400 1278423732 /nfs/dbraw/zinc/42/37/32/1278423732.db2.gz XJOYTEHXFQERTC-BLLLJJGKSA-N 1 0 346.393 2.743 10 10 EFCERO CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CO[C@@H](C4CC4)C3)cc2F)CC1 ZINC000825234865 1278478467 /nfs/dbraw/zinc/47/84/67/1278478467.db2.gz ZILSQKQYCGIHEZ-FXAWDEMLSA-N 1 0 347.478 2.625 10 10 EFCERO COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@H]2CC[NH2+]2)cc1 ZINC000844165979 1278776727 /nfs/dbraw/zinc/77/67/27/1278776727.db2.gz UBTWRKWXJDOKIN-LJQANCHMSA-N 1 0 339.439 2.656 10 10 EFCERO Cc1cc(C(=O)N[C@@H]2CC[NH2+]C23CCCC3)c(C)n1-c1ccccn1 ZINC000844204504 1278808532 /nfs/dbraw/zinc/80/85/32/1278808532.db2.gz PTJBSXDPLCXVAG-QGZVFWFLSA-N 1 0 338.455 2.894 10 10 EFCERO O=C1O[C@H](C[N@H+](Cc2ccco2)Cc2ccccc2O)CN1C1CC1 ZINC000844308454 1278856159 /nfs/dbraw/zinc/85/61/59/1278856159.db2.gz ZVJZDWYTMXGXJW-QGZVFWFLSA-N 1 0 342.395 2.971 10 10 EFCERO C[C@H]([NH2+]Cc1cc(Cl)ccc1O)[C@H](O)c1ccc2c(c1)OCO2 ZINC000785582480 1275118514 /nfs/dbraw/zinc/11/85/14/1275118514.db2.gz DJJBUUZGAXPDDB-BTDLBPIBSA-N 1 0 335.787 2.986 10 10 EFCERO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@H](O)c1ccc2c(c1)OCO2 ZINC000785575967 1275132696 /nfs/dbraw/zinc/13/26/96/1275132696.db2.gz XJMYNYQEBVSJCO-DJJJIMSYSA-N 1 0 328.412 2.693 10 10 EFCERO COc1ccc(N2CC[NH+](C[C@@H](O)c3ccc(F)cc3C)CC2)cc1 ZINC000746651538 1275708447 /nfs/dbraw/zinc/70/84/47/1275708447.db2.gz BBRFFRCLCSILDD-HXUWFJFHSA-N 1 0 344.430 2.998 10 10 EFCERO COCC[N@H+](Cc1cc(Br)cc(C)c1O)[C@@H]1CCOC1 ZINC000787335504 1275748793 /nfs/dbraw/zinc/74/87/93/1275748793.db2.gz SWMVMQIWRXGXBB-CQSZACIVSA-N 1 0 344.249 2.700 10 10 EFCERO O=C1C[C@@]2(CC[N@@H+](Cc3c4c(ccc3O)oc3c4CCCC3)C2)CN1 ZINC000788381903 1276159997 /nfs/dbraw/zinc/15/99/97/1276159997.db2.gz JCGIXCHKNPWABS-FQEVSTJZSA-N 1 0 340.423 2.729 10 10 EFCERO NC(=O)CN1CCc2ccc(NCc3c(O)cccc3Cl)cc2C1 ZINC000788528442 1276222138 /nfs/dbraw/zinc/22/21/38/1276222138.db2.gz CIJKOQTUNBQASM-UHFFFAOYSA-N 1 0 345.830 2.501 10 10 EFCERO Fc1cc(C[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)ccc1N1CCOCC1 ZINC000922898552 1276277345 /nfs/dbraw/zinc/27/73/45/1276277345.db2.gz SHUVBYXJEMCSQF-YLJYHZDGSA-N 1 0 348.462 2.957 10 10 EFCERO CN(C)c1ccc([C@H](N)C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000817941891 1276387098 /nfs/dbraw/zinc/38/70/98/1276387098.db2.gz LPGIXJZDFHHPBY-JRBPQWBISA-N 1 0 331.504 2.937 10 10 EFCERO C[C@H](N[C@@H]1CC[NH2+]C[C@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000817971885 1276413472 /nfs/dbraw/zinc/41/34/72/1276413472.db2.gz QPAVHVGJNXRYLV-QWQRMKEZSA-N 1 0 337.895 2.825 10 10 EFCERO C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cc(F)cc(F)c1[O-] ZINC000817982615 1276420440 /nfs/dbraw/zinc/42/04/40/1276420440.db2.gz HCUIRNIXTNLTJZ-GRTSSRMGSA-N 1 0 339.430 2.537 10 10 EFCERO C[C@@H](N[C@H]1C[NH2+]CCC1(F)F)c1ccc(Br)cc1O ZINC000817980984 1276421913 /nfs/dbraw/zinc/42/19/13/1276421913.db2.gz ORUSBTSSKQNTIH-PELKAZGASA-N 1 0 335.192 2.803 10 10 EFCERO Oc1cc(F)c(CC[NH2+]Cc2ccc(N3CCOCC3)cc2)c(F)c1 ZINC000922976952 1276451962 /nfs/dbraw/zinc/45/19/62/1276451962.db2.gz SKGJPDSYPNBXOP-UHFFFAOYSA-N 1 0 348.393 2.839 10 10 EFCERO COc1ccc(N2CC[C@H](C[NH2+]Cc3nc(C)ccc3O)C2)cc1 ZINC000818222200 1276493367 /nfs/dbraw/zinc/49/33/67/1276493367.db2.gz VJGQGIJGXFNLDI-OAHLLOKOSA-N 1 0 327.428 2.720 10 10 EFCERO CCCn1cc(C[NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)cn1 ZINC000818222231 1276494937 /nfs/dbraw/zinc/49/49/37/1276494937.db2.gz ROHHEILZIUDHSI-INIZCTEOSA-N 1 0 328.460 2.918 10 10 EFCERO COc1ccc(N2CC[C@@H](C[NH2+][C@H]3CCCc4n[nH]cc43)C2)cc1 ZINC000818342182 1276509969 /nfs/dbraw/zinc/50/99/69/1276509969.db2.gz MYHZTDQNWROPPN-KSSFIOAISA-N 1 0 326.444 2.912 10 10 EFCERO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001136379342 1277327568 /nfs/dbraw/zinc/32/75/68/1277327568.db2.gz XOZCFEQMMLHTMD-HZSPNIEDSA-N 1 0 345.447 2.945 10 10 EFCERO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)Cc2ccc(O)c(O)c2)C1 ZINC001136404992 1277417973 /nfs/dbraw/zinc/41/79/73/1277417973.db2.gz KDCAZGJMIYUJBS-OKILXGFUSA-N 1 0 334.460 2.513 10 10 EFCERO COc1cccc(O)c1C[NH2+]C[C@H](CO)Cc1ccc(F)c(F)c1 ZINC000791004531 1277901834 /nfs/dbraw/zinc/90/18/34/1277901834.db2.gz LREBKTZZAIJITD-CYBMUJFWSA-N 1 0 337.366 2.620 10 10 EFCERO CN(C)c1ccc(C[NH2+]C[C@H](CO)Cc2ccc(F)c(F)c2)cc1 ZINC000791002869 1277902482 /nfs/dbraw/zinc/90/24/82/1277902482.db2.gz APFXRYKAZMGMCF-MRXNPFEDSA-N 1 0 334.410 2.972 10 10 EFCERO CCOC(=O)C1(COC)CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000815105545 1287327403 /nfs/dbraw/zinc/32/74/03/1287327403.db2.gz GCTIHGZFCGNFSN-UHFFFAOYSA-N 1 0 348.487 2.853 10 10 EFCERO COc1ccc(C2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)nc1 ZINC000844712653 1279192486 /nfs/dbraw/zinc/19/24/86/1279192486.db2.gz YEXBZHQIENVEAF-UHFFFAOYSA-N 1 0 342.395 2.904 10 10 EFCERO C[C@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CCc2ccccc21 ZINC000844742229 1279210960 /nfs/dbraw/zinc/21/09/60/1279210960.db2.gz NTKMLANUTDKECB-ORAYPTAESA-N 1 0 325.408 2.980 10 10 EFCERO COCC[NH2+]C1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000844901551 1279323891 /nfs/dbraw/zinc/32/38/91/1279323891.db2.gz GPGSBGUCRAQMFR-UHFFFAOYSA-N 1 0 331.504 2.877 10 10 EFCERO Oc1ccc(Br)cc1C[NH+]1CCC(C2(O)CC2)CC1 ZINC000846009286 1279975719 /nfs/dbraw/zinc/97/57/19/1279975719.db2.gz WPCRPRNUKCSOSI-UHFFFAOYSA-N 1 0 326.234 2.892 10 10 EFCERO C[C@@H](O)[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1F ZINC000846015957 1279977995 /nfs/dbraw/zinc/97/79/95/1279977995.db2.gz FERICBVLDHXGBI-FOIQADDNSA-N 1 0 344.430 2.874 10 10 EFCERO Fc1cc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)ccc1N1CCOCC1 ZINC000846116808 1280024782 /nfs/dbraw/zinc/02/47/82/1280024782.db2.gz KBEPVSVMYHWVJX-INIZCTEOSA-N 1 0 326.362 2.893 10 10 EFCERO O=[S@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(OCc2ccccc2)cc1O ZINC000846103599 1280035788 /nfs/dbraw/zinc/03/57/88/1280035788.db2.gz RVHSFKVKZXSCCS-KEWLPNKHSA-N 1 0 343.448 2.676 10 10 EFCERO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc(-c2nncnn2)cc1 ZINC000846102701 1280035931 /nfs/dbraw/zinc/03/59/31/1280035931.db2.gz IVBKONSPQMCDAQ-UHFFFAOYSA-N 1 0 334.427 2.598 10 10 EFCERO COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@H](C)c2cccc(OC)c2O)C1 ZINC000846165157 1280044413 /nfs/dbraw/zinc/04/44/13/1280044413.db2.gz SYAAAXJBTZJIFC-MJBXVCDLSA-N 1 0 336.432 2.918 10 10 EFCERO COc1cccc([C@@H](C)[NH2+][C@@H]2CCCN(c3cc(C)nn3C)C2)c1O ZINC000846165456 1280044479 /nfs/dbraw/zinc/04/44/79/1280044479.db2.gz MPNBETYTESKDKY-HUUCEWRRSA-N 1 0 344.459 2.762 10 10 EFCERO COc1cccc([C@@H](C)[NH2+][C@H](Cc2ccccc2)C(=O)N(C)C)c1O ZINC000846142779 1280051399 /nfs/dbraw/zinc/05/13/99/1280051399.db2.gz BBJVNBLZYUADEC-RHSMWYFYSA-N 1 0 342.439 2.751 10 10 EFCERO C[NH2+]Cc1ccccc1CNC(=O)NCc1ccc(N(C)C)cc1C ZINC000846148097 1280053180 /nfs/dbraw/zinc/05/31/80/1280053180.db2.gz WVHQRAVUZNDVBT-UHFFFAOYSA-N 1 0 340.471 2.780 10 10 EFCERO C[C@H]([NH2+]Cc1ccc(-c2nncnn2)cc1)c1ccc(N(C)C)cc1 ZINC000846207722 1280056052 /nfs/dbraw/zinc/05/60/52/1280056052.db2.gz CDQOTINWOSYYRE-AWEZNQCLSA-N 1 0 334.427 2.850 10 10 EFCERO Cc1cnc([C@H](C)[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000794257272 1280093148 /nfs/dbraw/zinc/09/31/48/1280093148.db2.gz MPRSCRFZXQJOQT-INIZCTEOSA-N 1 0 326.444 2.815 10 10 EFCERO CCC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC001144868179 1280263740 /nfs/dbraw/zinc/26/37/40/1280263740.db2.gz PPSNVSSHHAJSIC-LJQANCHMSA-N 1 0 347.503 2.854 10 10 EFCERO CCOC(CN(CC)Cc1cc(F)cc(C(C)=O)c1O)OCC ZINC000846969556 1280669616 /nfs/dbraw/zinc/66/96/16/1280669616.db2.gz IDHQDGJNRKCGTD-UHFFFAOYSA-N 1 0 327.396 2.955 10 10 EFCERO CCN(CC)c1ccc(C[NH2+]C[C@H](O)C[C@](C)(O)C2CC2)cc1F ZINC000872200911 1287473098 /nfs/dbraw/zinc/47/30/98/1287473098.db2.gz ODKGRRSJSVDPNZ-APWZRJJASA-N 1 0 338.467 2.674 10 10 EFCERO Cc1cc(C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c(C)n1-c1ccccn1 ZINC000872266414 1287511332 /nfs/dbraw/zinc/51/13/32/1287511332.db2.gz GANPKDRPNYHGPO-BGYRXZFFSA-N 1 0 338.455 2.561 10 10 EFCERO Cc1cc(C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)c(C)n1-c1ccccn1 ZINC000872272098 1287514981 /nfs/dbraw/zinc/51/49/81/1287514981.db2.gz BBDUTKRDNWLXFR-MRXNPFEDSA-N 1 0 340.471 2.997 10 10 EFCERO OC[C@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)c1cccnc1 ZINC000808430571 1281725164 /nfs/dbraw/zinc/72/51/64/1281725164.db2.gz HQTKKMKBEBYANB-IBGZPJMESA-N 1 0 325.456 2.938 10 10 EFCERO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)C2(S(C)(=O)=O)CC2)c1O ZINC000808718116 1281873012 /nfs/dbraw/zinc/87/30/12/1281873012.db2.gz LZTHTSPZUCQCRE-WDEREUQCSA-N 1 0 331.865 2.970 10 10 EFCERO Cc1cc(Br)c(O)c(CN2CC[NH+]3CCC2CC3)c1 ZINC000809743310 1282444658 /nfs/dbraw/zinc/44/46/58/1282444658.db2.gz WCZVLFISNVCBRN-UHFFFAOYSA-N 1 0 325.250 2.743 10 10 EFCERO COC(=O)c1ccc(C[NH2+]Cc2cc(OC)ccc2O)nc1C1CC1 ZINC000809759127 1282461832 /nfs/dbraw/zinc/46/18/32/1282461832.db2.gz ZPAPMHKBSZUFLB-UHFFFAOYSA-N 1 0 342.395 2.750 10 10 EFCERO COCC[C@@H](COC)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000810256734 1283107515 /nfs/dbraw/zinc/10/75/15/1283107515.db2.gz FLXRGIZXMYNUDC-JQWIXIFHSA-N 1 0 332.238 2.857 10 10 EFCERO COCC[C@H](COC)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000810256732 1283107761 /nfs/dbraw/zinc/10/77/61/1283107761.db2.gz FLXRGIZXMYNUDC-CMPLNLGQSA-N 1 0 332.238 2.857 10 10 EFCERO COc1ccc(O)c([C@@H](C)NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)c1 ZINC000810347973 1283169207 /nfs/dbraw/zinc/16/92/07/1283169207.db2.gz OVVXSSVTRRYCCB-KZULUSFZSA-N 1 0 338.423 2.791 10 10 EFCERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(OC)ccc2O)[C@@H]1n1cccn1 ZINC000815661237 1287657962 /nfs/dbraw/zinc/65/79/62/1287657962.db2.gz XELXNEDSLRYJAO-XGWTYTTDSA-N 1 0 331.416 2.667 10 10 EFCERO COCC[C@H](COC)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000811517416 1284366439 /nfs/dbraw/zinc/36/64/39/1284366439.db2.gz RVBOMBDCXBQWAI-CYBMUJFWSA-N 1 0 334.382 2.913 10 10 EFCERO COc1cc(Cl)cc(C[NH2+]Cc2c3c(nn2C)CCCC3)c1O ZINC000812773688 1285408990 /nfs/dbraw/zinc/40/89/90/1285408990.db2.gz MOTFILAWROBKPK-UHFFFAOYSA-N 1 0 335.835 2.956 10 10 EFCERO COc1ccc(N(C)CC[N@H+](C)C[C@H]2CCC[C@]3(CCOC3)O2)cc1 ZINC001171729931 1285747144 /nfs/dbraw/zinc/74/71/44/1285747144.db2.gz PECJZTXWHSKEJQ-WOJBJXKFSA-N 1 0 348.487 2.791 10 10 EFCERO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cnnn1Cc1ccccc1 ZINC000813772634 1286109500 /nfs/dbraw/zinc/10/95/00/1286109500.db2.gz NQOAGXNRCPKNJF-UHFFFAOYSA-N 1 0 335.455 2.991 10 10 EFCERO C[C@H]([NH2+]C(C)(C)CNC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC001136615518 1289082787 /nfs/dbraw/zinc/08/27/87/1289082787.db2.gz KYADHQGWVHEXQR-AWEZNQCLSA-N 1 0 342.439 2.886 10 10 EFCERO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](C)C2(S(C)(=O)=O)CC2)c1O ZINC000808718113 1286952094 /nfs/dbraw/zinc/95/20/94/1286952094.db2.gz LZTHTSPZUCQCRE-GHMZBOCLSA-N 1 0 331.865 2.970 10 10 EFCERO C[NH+](C)Cc1c2ccccc2oc1C(=O)NCc1cccc(O)c1O ZINC001176566457 1288042446 /nfs/dbraw/zinc/04/24/46/1288042446.db2.gz XHJRYNGQWFMDTB-UHFFFAOYSA-N 1 0 340.379 2.836 10 10 EFCERO Cc1cc(Cl)cc(C[NH2+][C@H](C2CC2)[C@]2(CO)CCCO2)c1O ZINC000816667885 1288248989 /nfs/dbraw/zinc/24/89/89/1288248989.db2.gz YRUKGWAQUPRHRL-IAGOWNOFSA-N 1 0 325.836 2.764 10 10 EFCERO Cc1cc(Cl)cc(C[NH2+][C@@H](C2CC2)[C@@]2(CO)CCCO2)c1O ZINC000816667886 1288249049 /nfs/dbraw/zinc/24/90/49/1288249049.db2.gz YRUKGWAQUPRHRL-IRXDYDNUSA-N 1 0 325.836 2.764 10 10 EFCERO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000817414171 1288592067 /nfs/dbraw/zinc/59/20/67/1288592067.db2.gz GUMBMXCQGPVPCN-ZBFHGGJFSA-N 1 0 333.432 2.930 10 10 EFCERO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)[C@H]1CC12CC2 ZINC000817440978 1288611181 /nfs/dbraw/zinc/61/11/81/1288611181.db2.gz BMQDUZIIMBHRSC-LJQANCHMSA-N 1 0 339.483 2.635 10 10 EFCERO CN(C)c1ccc(C[NH2+][C@H](C2CCOCC2)C2(CO)CCC2)cc1 ZINC000822525735 1289010013 /nfs/dbraw/zinc/01/00/13/1289010013.db2.gz LECAVGWMWUPFJL-LJQANCHMSA-N 1 0 332.488 2.800 10 10 EFCERO CN(C)c1ccc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)cc1F ZINC000824517439 1289678832 /nfs/dbraw/zinc/67/88/32/1289678832.db2.gz VABIQBGATJEJMH-CQSZACIVSA-N 1 0 348.443 2.552 10 10 EFCERO CC(C)c1nn(C)cc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000795594948 1290634535 /nfs/dbraw/zinc/63/45/35/1290634535.db2.gz OGYWHZGYKOJRGH-UHFFFAOYSA-N 1 0 327.476 2.907 10 10 EFCERO COc1c(O)c(CNCC[N@H+](C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000774984134 1290887091 /nfs/dbraw/zinc/88/70/91/1290887091.db2.gz RNCAZEHYZPINKU-UHFFFAOYSA-N 1 0 337.420 2.663 10 10 EFCERO CCCN(c1ccc(C[NH3+])cc1)C1CCN(c2cnccn2)CC1 ZINC000775139665 1291216869 /nfs/dbraw/zinc/21/68/69/1291216869.db2.gz DRUFKDHWMSOLSV-UHFFFAOYSA-N 1 0 325.460 2.821 10 10 EFCERO Oc1ccccc1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1CCCO1 ZINC000249271507 1291333603 /nfs/dbraw/zinc/33/36/03/1291333603.db2.gz JFKCHRIWHWFGFU-UONOGXRCSA-N 1 0 333.350 2.687 10 10 EFCERO COC(=O)[C@H](CC(C)C)[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000795869454 1291598395 /nfs/dbraw/zinc/59/83/95/1291598395.db2.gz XJPPVAFQWQIYMY-SFHVURJKSA-N 1 0 334.460 2.795 10 10 EFCERO CCOc1ccc(C[NH2+][C@@H](C)[C@H]2CCCN(C(=O)OC)C2)c(O)c1 ZINC000775347729 1291989489 /nfs/dbraw/zinc/98/94/89/1291989489.db2.gz QPFMRWNUFLAELX-ZFWWWQNUSA-N 1 0 336.432 2.747 10 10 EFCERO Cc1cc(CC[NH2+][C@@H](C)CS(C)(=O)=O)c(C)n1-c1ccccc1 ZINC000775364309 1292054311 /nfs/dbraw/zinc/05/43/11/1292054311.db2.gz MIJRNRHLIKUZCI-AWEZNQCLSA-N 1 0 334.485 2.659 10 10 EFCERO COC(=O)[C@@H]1CSCC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000826124065 1292268351 /nfs/dbraw/zinc/26/83/51/1292268351.db2.gz ZYJVNGFNOUEPJE-LBPRGKRZSA-N 1 0 329.849 2.692 10 10 EFCERO C[C@H](NC(=O)Cn1cnc2c1CCCC2)c1ccc(N(C)C)cc1 ZINC000775408283 1292299775 /nfs/dbraw/zinc/29/97/75/1292299775.db2.gz YLQGECJJJMUJKO-AWEZNQCLSA-N 1 0 326.444 2.705 10 10 EFCERO Cc1cc(Br)cc(C[N@@H+]2CCCC[C@@H]2CC(N)=O)c1O ZINC000775663915 1293960245 /nfs/dbraw/zinc/96/02/45/1293960245.db2.gz HJYBMDVFFQISMV-CYBMUJFWSA-N 1 0 341.249 2.693 10 10 EFCERO Cc1cc(Br)cc(C[N@@H+]2CCSC[C@@H]2CCO)c1O ZINC000775736634 1294321504 /nfs/dbraw/zinc/32/15/04/1294321504.db2.gz CGNCROIMJRUEFO-ZDUSSCGKSA-N 1 0 346.290 2.763 10 10 EFCERO C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC[N@@H+]1C1CCCC1 ZINC001197809261 1294726773 /nfs/dbraw/zinc/72/67/73/1294726773.db2.gz RJIDKQFSEJRYNF-SFHVURJKSA-N 1 0 343.515 2.972 10 10 EFCERO CCN(C)c1ccc(C[NH+]2CCC(Cc3nncn3C)CC2)cc1 ZINC001197948743 1294808323 /nfs/dbraw/zinc/80/83/23/1294808323.db2.gz SMHUXAHRWBJYCW-UHFFFAOYSA-N 1 0 327.476 2.726 10 10 EFCERO CC1(C)CO[C@@H](CC[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000886307422 1294837558 /nfs/dbraw/zinc/83/75/58/1294837558.db2.gz RUOSNQAEHRQUKQ-INIZCTEOSA-N 1 0 336.451 2.957 10 10 EFCERO C[C@H]([NH2+]CC(=O)N1CCO[C@H]2CCCC[C@@H]21)c1ccc(N(C)C)cc1 ZINC000775835118 1294965501 /nfs/dbraw/zinc/96/55/01/1294965501.db2.gz FKIAAYPVSOVLHB-SNRMKQJTSA-N 1 0 345.487 2.573 10 10 EFCERO C[C@@H]([NH2+]CC(=O)Nc1nc2c(s1)CCC2)c1ccc(N(C)C)cc1 ZINC000775835046 1294969476 /nfs/dbraw/zinc/96/94/76/1294969476.db2.gz DJXAJRIMEGICBE-GFCCVEGCSA-N 1 0 344.484 2.987 10 10 EFCERO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CCOCC12CCCC2 ZINC001198753973 1295235006 /nfs/dbraw/zinc/23/50/06/1295235006.db2.gz SVJYDSIUEDTRDI-LJQANCHMSA-N 1 0 330.472 2.962 10 10 EFCERO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1cc(Cl)cc(C)c1O ZINC000776013183 1295660878 /nfs/dbraw/zinc/66/08/78/1295660878.db2.gz LEFCRWYLUVRAGM-LSDHHAIUSA-N 1 0 341.835 2.897 10 10 EFCERO CCC1([NH2+]CCF)CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001273801942 1295853026 /nfs/dbraw/zinc/85/30/26/1295853026.db2.gz LXDIMDHAAAUURI-UHFFFAOYSA-N 1 0 349.410 2.793 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)CC2(OC)CCC2)cc1C ZINC001274732755 1296155623 /nfs/dbraw/zinc/15/56/23/1296155623.db2.gz GGMKCUIUJRHBFA-OAHLLOKOSA-N 1 0 334.460 2.557 10 10 EFCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)c2scnc2C)cc1C ZINC001273872478 1296532650 /nfs/dbraw/zinc/53/26/50/1296532650.db2.gz YZVNDVGLVLJVOR-PLNGDYQASA-N 1 0 345.468 2.844 10 10 EFCERO COCCC(=O)NC1(C[NH2+]Cc2ccc(OC)c(C)c2)CCCCC1 ZINC001276176615 1296629466 /nfs/dbraw/zinc/62/94/66/1296629466.db2.gz QYWBPTRURLYQON-UHFFFAOYSA-N 1 0 348.487 2.949 10 10 EFCERO COc1ccc(N2CC[C@@H](C[NH2+][C@H]3[C@@H]4CCC[NH2+][C@@H]4C3(C)C)C2)cc1 ZINC000925708488 1296870608 /nfs/dbraw/zinc/87/06/08/1296870608.db2.gz SSSWVICJTNFQPU-LDTOTXGLSA-N 1 0 343.515 2.888 10 10 EFCERO C[C@H](NC(=O)N[C@H](CC[NH+](C)C)c1cccnc1)c1ccccc1O ZINC000925917970 1296887962 /nfs/dbraw/zinc/88/79/62/1296887962.db2.gz AMAQHHRJARWKLI-WMLDXEAASA-N 1 0 342.443 2.840 10 10 EFCERO CCN(C)c1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc1 ZINC000927041383 1296981107 /nfs/dbraw/zinc/98/11/07/1296981107.db2.gz NDUJJBTVDLKHJB-ZVRJUHEZSA-N 1 0 336.501 2.902 10 10 EFCERO Cc1cc(Br)c(O)c(CN2CC[C@@H](C)C[C@@H]2C(N)=O)c1 ZINC000779203644 1298054199 /nfs/dbraw/zinc/05/41/99/1298054199.db2.gz FYGWKCRWTHQKQA-NOZJJQNGSA-N 1 0 341.249 2.549 10 10 EFCERO Cc1cc(Br)c(O)c(CN2CC[C@@H](C)C[C@H]2C(N)=O)c1 ZINC000779203645 1298054937 /nfs/dbraw/zinc/05/49/37/1298054937.db2.gz FYGWKCRWTHQKQA-RNCFNFMXSA-N 1 0 341.249 2.549 10 10 EFCERO Fc1cc(CN2CCCC[C@@]3(CC[NH2+]C3)C2)ccc1N1CCOCC1 ZINC000903959707 1313492364 /nfs/dbraw/zinc/49/23/64/1313492364.db2.gz MSKXROKXAGGVGR-FQEVSTJZSA-N 1 0 347.478 2.628 10 10 EFCERO C[C@@H](CN(C)C(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CCC1CC1 ZINC001278026404 1313550593 /nfs/dbraw/zinc/55/05/93/1313550593.db2.gz XCMCVGHYLVLZTG-LBPRGKRZSA-N 1 0 331.420 2.699 10 10 EFCERO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@H](COC)OC ZINC000851793613 1299398960 /nfs/dbraw/zinc/39/89/60/1299398960.db2.gz YVOGGXGTFUEBFF-ZDUSSCGKSA-N 1 0 332.238 2.638 10 10 EFCERO COC1CCN(c2ccc(C[N@@H+]3C[C@@H]4COC[C@]4(C)C3)cc2)CC1 ZINC000852534519 1299743609 /nfs/dbraw/zinc/74/36/09/1299743609.db2.gz CGYKXLJNFGKAIN-XLIONFOSSA-N 1 0 330.472 2.770 10 10 EFCERO COc1ccc2ccc(O)c(C[N@@H+]3CCC4=C(CCC(=O)N4)C3)c2c1 ZINC000853519495 1300145600 /nfs/dbraw/zinc/14/56/00/1300145600.db2.gz DCTLHRLDSQPCKK-UHFFFAOYSA-N 1 0 338.407 2.924 10 10 EFCERO COC(=O)c1cc2ccccc2c(C[N@@H+]2C[C@@H]3COC[C@]3(C)C2)c1O ZINC000853566212 1300169983 /nfs/dbraw/zinc/16/99/83/1300169983.db2.gz NBRAWLNCHIWSML-VLIAUNLRSA-N 1 0 341.407 2.800 10 10 EFCERO C[C@@H](NCC12CC(C1)C[NH2+]2)c1ccc(N2CCOCC2)cc1Cl ZINC000854228286 1300479096 /nfs/dbraw/zinc/47/90/96/1300479096.db2.gz UIQLJBZSSVZRCA-WRSVWVKZSA-N 1 0 335.879 2.579 10 10 EFCERO COc1ccc(N2CC[C@@H](NC(=O)[C@@H](C)[NH+]3CCCCCC3)C2)cc1 ZINC000855229638 1300850646 /nfs/dbraw/zinc/85/06/46/1300850646.db2.gz BMQFORKZPFNVQD-IAGOWNOFSA-N 1 0 345.487 2.655 10 10 EFCERO CC[C@H](C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)[NH+](CC)CC ZINC000855229541 1300851405 /nfs/dbraw/zinc/85/14/05/1300851405.db2.gz AFUBSKLPSKWCGM-CRAIPNDOSA-N 1 0 333.476 2.511 10 10 EFCERO CCN(C(=O)c1cc(C)n(-c2ccccn2)c1C)[C@@H]1CC[N@H+](C)C1 ZINC000855360748 1300930472 /nfs/dbraw/zinc/93/04/72/1300930472.db2.gz IQZIISNGRKXEAW-MRXNPFEDSA-N 1 0 326.444 2.655 10 10 EFCERO COC1CCN(c2ccc(C[N@@H+]3C[C@@H]4CCC[C@]4(CO)C3)cc2)CC1 ZINC000859925610 1301638398 /nfs/dbraw/zinc/63/83/98/1301638398.db2.gz PRNPSGZHUXBQTE-GHTZIAJQSA-N 1 0 344.499 2.896 10 10 EFCERO COC1CCN(c2ccc(C[N@@H+]3CC[C@@H](CO)C[C@H]3C)cc2)CC1 ZINC000860090900 1301695715 /nfs/dbraw/zinc/69/57/15/1301695715.db2.gz PTTVQGIUFPRYCB-SJLPKXTDSA-N 1 0 332.488 2.895 10 10 EFCERO CN(Cc1c(O)cccc1Br)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000862240840 1302319453 /nfs/dbraw/zinc/31/94/53/1302319453.db2.gz PJCURGSVQFWFFP-LBPRGKRZSA-N 1 0 325.250 2.823 10 10 EFCERO Oc1cccc(Br)c1C[NH+]1CCC(C2(O)CC2)CC1 ZINC000862402048 1302369141 /nfs/dbraw/zinc/36/91/41/1302369141.db2.gz XKDULWSVNQQKRF-UHFFFAOYSA-N 1 0 326.234 2.892 10 10 EFCERO Cc1c(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)ccnc1F ZINC000862417451 1302374069 /nfs/dbraw/zinc/37/40/69/1302374069.db2.gz CVNRJKUIPFHWLK-UHFFFAOYSA-N 1 0 329.419 2.780 10 10 EFCERO COc1cc(Cl)cc(C[NH2+][C@@](C)(CO)c2cccc(O)c2)c1O ZINC000862433586 1302382858 /nfs/dbraw/zinc/38/28/58/1302382858.db2.gz YCAHANXAACBQMY-KRWDZBQOSA-N 1 0 337.803 2.757 10 10 EFCERO Oc1ccc(-c2ccccc2)cc1C[NH+]1CCN(c2nccnn2)CC1 ZINC000862436216 1302384740 /nfs/dbraw/zinc/38/47/40/1302384740.db2.gz AMMTUJXEBSNJMW-UHFFFAOYSA-N 1 0 347.422 2.566 10 10 EFCERO CCOC(=O)C1=CC[C@@H]([NH2+]Cc2c(O)cccc2Br)C1 ZINC000862490057 1302400841 /nfs/dbraw/zinc/40/08/41/1302400841.db2.gz VXUALCONSDIOLQ-LLVKDONJSA-N 1 0 340.217 2.896 10 10 EFCERO OC[C@]12CCC[C@H]1C[N@H+](Cc1cc(Br)ccc1O)C2 ZINC000862529330 1302405504 /nfs/dbraw/zinc/40/55/04/1302405504.db2.gz RVTDLWKGRNVVRV-SWLSCSKDSA-N 1 0 326.234 2.749 10 10 EFCERO C[C@H]1CC[C@H](NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[NH2+]1 ZINC000863649929 1302669625 /nfs/dbraw/zinc/66/96/25/1302669625.db2.gz KRZBIQITXQOFMW-HOCLYGCPSA-N 1 0 332.448 2.815 10 10 EFCERO CC[C@@H]1[C@@H](C(=O)NCc2ccc(N3CCSCC3)cc2)CC[N@@H+]1C ZINC000864919538 1303082420 /nfs/dbraw/zinc/08/24/20/1303082420.db2.gz YQQOEVKYEQIJPG-ZWKOTPCHSA-N 1 0 347.528 2.586 10 10 EFCERO C[NH+]1CCN(c2ccc(CNc3nc(C4(C)CC4)ns3)cc2)CC1 ZINC000865293524 1303210366 /nfs/dbraw/zinc/21/03/66/1303210366.db2.gz KXJMYSUIKQROLJ-UHFFFAOYSA-N 1 0 343.500 2.954 10 10 EFCERO CC(=O)NCC1CCC([NH2+]CCCSc2nccs2)CC1 ZINC000865469346 1303270890 /nfs/dbraw/zinc/27/08/90/1303270890.db2.gz UORRAWHQUWJBMD-UHFFFAOYSA-N 1 0 327.519 2.910 10 10 EFCERO COc1ccc(N2CC[C@@H]([NH2+]C3CCC(CNC(C)=O)CC3)C2)cc1 ZINC000865622172 1303336890 /nfs/dbraw/zinc/33/68/90/1303336890.db2.gz ODAMNGJTKQQPFE-DAWZGUTISA-N 1 0 345.487 2.558 10 10 EFCERO COc1ccc(N2CC[C@H]([NH2+]Cc3cc4c(cc[nH]c4=O)o3)C2)cc1 ZINC000865622628 1303337243 /nfs/dbraw/zinc/33/72/43/1303337243.db2.gz ZLVBROXSRXIYEC-ZDUSSCGKSA-N 1 0 339.395 2.911 10 10 EFCERO CN(C)c1ccc(C[NH2+]CC[C@@H](O)C(F)F)c(C(F)(F)F)c1 ZINC000865687295 1303367203 /nfs/dbraw/zinc/36/72/03/1303367203.db2.gz AYZCISNJQSVBHK-GFCCVEGCSA-N 1 0 326.309 2.877 10 10 EFCERO COc1ccc(N2CCC([NH2+][C@H]3[C@@H]4OC[C@H]5C[C@H]3C[C@H]45)CC2)cc1 ZINC000865697501 1303369579 /nfs/dbraw/zinc/36/95/79/1303369579.db2.gz YMWUCKXEOVJTHL-LSZNHHPASA-N 1 0 328.456 2.677 10 10 EFCERO c1cc(N2CCOCC2)ccc1C[NH2+][C@H](C1CCC1)[C@H]1CCOC1 ZINC000865761809 1303390220 /nfs/dbraw/zinc/39/02/20/1303390220.db2.gz REPVDLSYDXDTLM-AZUAARDMSA-N 1 0 330.472 2.818 10 10 EFCERO COc1ccc(C[NH2+]C2CCN(CC(=O)OC(C)(C)C)CC2)cc1C ZINC000865775994 1303395493 /nfs/dbraw/zinc/39/54/93/1303395493.db2.gz GPKGYNMWJDIHMP-UHFFFAOYSA-N 1 0 348.487 2.899 10 10 EFCERO COC(=O)/C=C/c1ccc(N2CC[N@H+](C)C(C)(C)CC2)c([N+](=O)[O-])c1 ZINC000866114902 1303530975 /nfs/dbraw/zinc/53/09/75/1303530975.db2.gz SOEMTKPVQLQXTG-SOFGYWHQSA-N 1 0 347.415 2.702 10 10 EFCERO CCN(CC)c1ccc(C[NH2+][C@H](C)C2(S(C)(=O)=O)CC2)cc1F ZINC000796493896 1303579553 /nfs/dbraw/zinc/57/95/53/1303579553.db2.gz ZGPODBYSKGEUGD-CYBMUJFWSA-N 1 0 342.480 2.727 10 10 EFCERO Cc1cc(C)c([C@@H](C)[NH2+]Cc2nnc(C3CCOCC3)[nH]2)c(O)c1 ZINC000866440963 1303640595 /nfs/dbraw/zinc/64/05/95/1303640595.db2.gz TXNAOQOIPGVZKD-CYBMUJFWSA-N 1 0 330.432 2.872 10 10 EFCERO C[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2)c1ccc(N2CCOCC2)c(F)c1 ZINC000866446563 1303645024 /nfs/dbraw/zinc/64/50/24/1303645024.db2.gz GDMOHODHCCOUGS-JKNDIDBPSA-N 1 0 346.446 2.736 10 10 EFCERO COc1ccc(O)c(CNC(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)c1 ZINC000868186496 1304177043 /nfs/dbraw/zinc/17/70/43/1304177043.db2.gz UOKHDSUDSKOJDX-JKSUJKDBSA-N 1 0 327.384 2.537 10 10 EFCERO CC1([NH+]2CCCC2)CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000870256362 1305227724 /nfs/dbraw/zinc/22/77/24/1305227724.db2.gz GKBQDPIZDWOKIE-ALCCZGGFSA-N 1 0 330.428 2.588 10 10 EFCERO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)c2cc(C)no2)cc1C ZINC001277121614 1311654340 /nfs/dbraw/zinc/65/43/40/1311654340.db2.gz GZWPWZOEJITMMV-CQSZACIVSA-N 1 0 345.443 2.988 10 10 EFCERO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)C2=CCOCC2)cc1C ZINC001277172413 1311751242 /nfs/dbraw/zinc/75/12/42/1311751242.db2.gz UMWBXMYMXYJFOB-INIZCTEOSA-N 1 0 346.471 2.725 10 10 EFCERO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001162113410 1312050086 /nfs/dbraw/zinc/05/00/86/1312050086.db2.gz GHMDLVUJQCJZSH-NVXWUHKLSA-N 1 0 335.467 2.542 10 10 EFCERO CN(C)c1ccc([C@@H](CNC(=O)NC/C=C\C2CC2)[NH+](C)C)cc1 ZINC001229247470 1312068048 /nfs/dbraw/zinc/06/80/48/1312068048.db2.gz AAXIUERZIWPCNE-OOFWQKGWSA-N 1 0 330.476 2.621 10 10 EFCERO C[C@H]([NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)c1ccc(N2CCOCC2)cc1 ZINC000902766525 1312087726 /nfs/dbraw/zinc/08/77/26/1312087726.db2.gz MRGCYZKEPWMAOI-BIXGXOFGSA-N 1 0 342.483 2.987 10 10 EFCERO COc1nc(C)cc(NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC001164318067 1312492023 /nfs/dbraw/zinc/49/20/23/1312492023.db2.gz LMOQTZAKYTVREB-INIZCTEOSA-N 1 0 329.448 2.574 10 10 EFCERO C[C@@H]1C[C@H]([NH2+]CC2(C3(O)CCOCC3)CC2)c2c1c(F)ccc2O ZINC000903346462 1312586226 /nfs/dbraw/zinc/58/62/26/1312586226.db2.gz HJQDFWODRZEHAU-OCCSQVGLSA-N 1 0 335.419 2.991 10 10 EFCERO C[C@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)C1(C)CC1 ZINC001251400364 1315345914 /nfs/dbraw/zinc/34/59/14/1315345914.db2.gz HUIAOSUQXQDXCM-WMLDXEAASA-N 1 0 332.492 2.843 10 10 EFCERO COC(=O)c1nc(C[NH2+]Cc2ccc(N(C)C)cc2)ccc1Cl ZINC000826981440 1315554333 /nfs/dbraw/zinc/55/43/33/1315554333.db2.gz WHBCAMKABDTJSX-UHFFFAOYSA-N 1 0 333.819 2.877 10 10 EFCERO COC(=O)c1nc(C[NH2+]Cc2cccc(OC)c2O)ccc1Cl ZINC000826981240 1315559486 /nfs/dbraw/zinc/55/94/86/1315559486.db2.gz OBJRWAHXDJZNQR-UHFFFAOYSA-N 1 0 336.775 2.526 10 10 EFCERO C[NH+]1CCN(c2ccc(CNC(=O)NCCCCC3CC3)cc2)CC1 ZINC001254249858 1315687488 /nfs/dbraw/zinc/68/74/88/1315687488.db2.gz VXDKANVTMFPVPU-UHFFFAOYSA-N 1 0 344.503 2.818 10 10 EFCERO CN1CCCc2cc(CNC(=O)[C@H]3CCCCCC[C@H]3[NH3+])ccc21 ZINC000827913887 1316032283 /nfs/dbraw/zinc/03/22/83/1316032283.db2.gz RJGHYGXFOAPUFL-ZWKOTPCHSA-N 1 0 329.488 2.983 10 10 EFCERO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(N)cc2)[C@H]1c1ccc(F)cc1 ZINC001261372226 1316407945 /nfs/dbraw/zinc/40/79/45/1316407945.db2.gz PUTJTBGZPGYNPC-IAGOWNOFSA-N 1 0 328.391 2.975 10 10 EFCERO CN1CCN(c2ccc(C[N@@H+]3CC[C@]4(CC4(F)F)C3)cc2F)CC1 ZINC001261514412 1316416400 /nfs/dbraw/zinc/41/64/00/1316416400.db2.gz AQMCREHWWVMQGM-KRWDZBQOSA-N 1 0 339.405 2.809 10 10 EFCERO CC[C@@H](CNC(=O)Cc1ccc[nH]1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001318604015 1328650189 /nfs/dbraw/zinc/65/01/89/1328650189.db2.gz RAGJPEYIAWVMDS-INIZCTEOSA-N 1 0 329.444 2.559 10 10 EFCERO CC(C)(C)OC(=O)N1CCCC[C@H]([NH2+]Cc2ccc(O)c(O)c2)C1 ZINC000382749345 1316556849 /nfs/dbraw/zinc/55/68/49/1316556849.db2.gz PLYAZQDSYRZCRE-AWEZNQCLSA-N 1 0 336.432 2.977 10 10 EFCERO CC[NH+]1CCN(c2ccc(CNC(=O)[C@]3(C)C=CCC3)cc2F)CC1 ZINC001265011862 1316689198 /nfs/dbraw/zinc/68/91/98/1316689198.db2.gz DSZJJXPCIPSTMP-HXUWFJFHSA-N 1 0 345.462 2.940 10 10 EFCERO CC[C@H](C)C[NH2+][C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001265382852 1316793141 /nfs/dbraw/zinc/79/31/41/1316793141.db2.gz VXPJGMZVAQZSLR-LRDDRELGSA-N 1 0 345.447 2.993 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CC[C@@H](C)OC)C2)cc1C ZINC001265473861 1316810831 /nfs/dbraw/zinc/81/08/31/1316810831.db2.gz FFGGVDCFWQNFOR-DJIMGWMZSA-N 1 0 334.460 2.556 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H](OC)C3CCC3)C2)cc1C ZINC001265551072 1316824275 /nfs/dbraw/zinc/82/42/75/1316824275.db2.gz QADYXUSNPAQHQP-SCTDSRPQSA-N 1 0 346.471 2.556 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2occ3c2CCC3)cc1C ZINC001265804301 1316880226 /nfs/dbraw/zinc/88/02/26/1316880226.db2.gz JVSBKNGUIWSXTR-CQSZACIVSA-N 1 0 342.439 2.993 10 10 EFCERO CCC[C@H](OC)C(=O)N(C)C1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001279273648 1317222193 /nfs/dbraw/zinc/22/21/93/1317222193.db2.gz IOHRKUZXLOESNJ-TVPLGVNVSA-N 1 0 348.487 2.898 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)COC(C)(C)C)CCC2)cc1C ZINC001280475250 1317579440 /nfs/dbraw/zinc/57/94/40/1317579440.db2.gz SZASDBNNOFJMDK-UHFFFAOYSA-N 1 0 348.487 2.947 10 10 EFCERO CCC[C@H](C)C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001280568123 1317618488 /nfs/dbraw/zinc/61/84/88/1317618488.db2.gz ULBNADCGHRRHPM-MAUKXSAKSA-N 1 0 348.487 2.757 10 10 EFCERO CC[C@@H](C)C(=O)NC1(C[NH2+]Cc2ccc(OC)c(C)c2)CCOCC1 ZINC001281211370 1318107244 /nfs/dbraw/zinc/10/72/44/1318107244.db2.gz DZSWBZHFGKLVSN-OAHLLOKOSA-N 1 0 348.487 2.805 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCn2cccc2)cc1C ZINC001282208078 1318781930 /nfs/dbraw/zinc/78/19/30/1318781930.db2.gz SABPKUAORLJHIW-DLBZAZTESA-N 1 0 343.471 2.878 10 10 EFCERO CCc1nc[nH]c1C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001282227720 1318786650 /nfs/dbraw/zinc/78/66/50/1318786650.db2.gz JEMZEHJOEJKNRL-KBPBESRZSA-N 1 0 344.459 2.586 10 10 EFCERO COCCC(=O)N(C)C1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001282244804 1318803947 /nfs/dbraw/zinc/80/39/47/1318803947.db2.gz RTIDLMRIRFBYKK-UHFFFAOYSA-N 1 0 348.487 2.899 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)CC(F)(F)F)C2)cc1C ZINC001316628151 1319807737 /nfs/dbraw/zinc/80/77/37/1319807737.db2.gz CDFVHWCXCKEIHO-HDJSIYSDSA-N 1 0 344.377 2.940 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2ccccn2)cc1C ZINC001283557049 1319822391 /nfs/dbraw/zinc/82/23/91/1319822391.db2.gz YUWUMOOETFFSNG-OAHLLOKOSA-N 1 0 327.428 2.649 10 10 EFCERO COCC1(C(=O)N(C)[C@@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)CCC1 ZINC001319498837 1328903357 /nfs/dbraw/zinc/90/33/57/1328903357.db2.gz RYAKGAWCDJCMGC-INIZCTEOSA-N 1 0 348.487 2.757 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2conc2C)cc1C ZINC001319524910 1328908480 /nfs/dbraw/zinc/90/84/80/1328908480.db2.gz JAUVEGFMCBPGNF-CYBMUJFWSA-N 1 0 331.416 2.550 10 10 EFCERO CC(C)CC[NH2+][C@H]1C[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001316642913 1321305664 /nfs/dbraw/zinc/30/56/64/1321305664.db2.gz XQQOJHSBOMPJHP-SAZUREKKSA-N 1 0 345.447 2.993 10 10 EFCERO COCCCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H](C)C1 ZINC001319673705 1328947160 /nfs/dbraw/zinc/94/71/60/1328947160.db2.gz LZCNREKOATXTFS-FUHWJXTLSA-N 1 0 348.487 2.757 10 10 EFCERO CC1CC[NH+](CC(=O)N(C)Cc2ccc(N3CCCC3)cc2)CC1 ZINC001290374852 1321905558 /nfs/dbraw/zinc/90/55/58/1321905558.db2.gz PDVXEAUABHVCBV-UHFFFAOYSA-N 1 0 329.488 2.977 10 10 EFCERO COC(=O)/C=C\c1ccc(N2CC[N@H+](C)C[C@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000737440172 1321978135 /nfs/dbraw/zinc/97/81/35/1321978135.db2.gz DXQMVZYLFGFGNY-QLBOMPFWSA-N 1 0 347.415 2.557 10 10 EFCERO COc1ccc(C[NH2+][C@@H](CNC(=O)C(=O)C(C)(C)C)C(C)C)cc1C ZINC001319907048 1329032679 /nfs/dbraw/zinc/03/26/79/1329032679.db2.gz PRFFPFKUEOLKKS-INIZCTEOSA-N 1 0 348.487 2.849 10 10 EFCERO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)Cc1ccc(O)c(O)c1 ZINC001295966185 1322827032 /nfs/dbraw/zinc/82/70/32/1322827032.db2.gz MHWDINFQNKYGJI-UHFFFAOYSA-N 1 0 342.439 2.667 10 10 EFCERO CC(C)C[NH+]1CCC(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)CC1 ZINC001296246432 1322873100 /nfs/dbraw/zinc/87/31/00/1322873100.db2.gz MJZZZDYAVAIKKJ-AWEZNQCLSA-N 1 0 334.460 2.513 10 10 EFCERO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001297465097 1323225907 /nfs/dbraw/zinc/22/59/07/1323225907.db2.gz ANPSYAQTRBOKBX-CQSZACIVSA-N 1 0 331.420 2.699 10 10 EFCERO Cc1cc(C(=O)N[C@H]2C[C@H]([NH+](C)C)C2(C)C)c(C)n1-c1ccccn1 ZINC001299822378 1323709123 /nfs/dbraw/zinc/70/91/23/1323709123.db2.gz PRWFVWAWUJJSKJ-IRXDYDNUSA-N 1 0 340.471 2.948 10 10 EFCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCCCO2)cc1C ZINC001320383896 1329119960 /nfs/dbraw/zinc/11/99/60/1329119960.db2.gz FNRDANSSWAPPSQ-QAPCUYQASA-N 1 0 334.460 2.557 10 10 EFCERO COC(=O)/C=C\c1ccc(N2CCC[C@H]([NH2+]C(C)C)C2)c([N+](=O)[O-])c1 ZINC000749391223 1324657063 /nfs/dbraw/zinc/65/70/63/1324657063.db2.gz BUTSZYFJEQYEDZ-VIHMKRCTSA-N 1 0 347.415 2.748 10 10 EFCERO COc1cc([N+](=O)[O-])c(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1OC ZINC001306993239 1324737281 /nfs/dbraw/zinc/73/72/81/1324737281.db2.gz BWMRLNUWVVTHIJ-OLZOCXBDSA-N 1 0 335.404 2.533 10 10 EFCERO CCO[C@H](CC)C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001317297209 1327829971 /nfs/dbraw/zinc/82/99/71/1327829971.db2.gz SUDIIGQMORTFLD-DLBZAZTESA-N 1 0 334.460 2.509 10 10 EFCERO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CCCOC(C)C)C2)cc1C ZINC001317311047 1327843758 /nfs/dbraw/zinc/84/37/58/1327843758.db2.gz GNLNSLOQNBYHBU-SFHVURJKSA-N 1 0 348.487 2.899 10 10 EFCERO COc1ccc(C[NH2+]CCc2ccc(CNC(C)=O)cc2)cc1C ZINC001317367260 1327907782 /nfs/dbraw/zinc/90/77/82/1327907782.db2.gz YNFFDKXOJVSBMF-UHFFFAOYSA-N 1 0 326.440 2.972 10 10 EFCERO CCc1ncsc1C(=O)N[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001321532431 1329393730 /nfs/dbraw/zinc/39/37/30/1329393730.db2.gz GTGVOGYPGGNZBY-CYBMUJFWSA-N 1 0 347.484 2.931 10 10 EFCERO COCc1ccc(C(=O)N(C)CC[NH2+]Cc2ccc(OC)c(C)c2)o1 ZINC001317608187 1328188596 /nfs/dbraw/zinc/18/85/96/1328188596.db2.gz OIBYRCJJMWFIAW-UHFFFAOYSA-N 1 0 346.427 2.605 10 10 EFCERO COc1ccc(C(=O)N(C)CC[NH2+]Cc2ccc(OC)c(C)c2)cc1 ZINC001317659666 1328249509 /nfs/dbraw/zinc/24/95/09/1328249509.db2.gz YXOAYQHGRXQFTP-UHFFFAOYSA-N 1 0 342.439 2.874 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)cc1C ZINC001321760523 1329407427 /nfs/dbraw/zinc/40/74/27/1329407427.db2.gz PQNPJZFULBBGKL-BPVGNJIUSA-N 1 0 342.483 2.890 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2cc(C)[nH]c2C)cc1C ZINC001322003577 1329421880 /nfs/dbraw/zinc/42/18/80/1329421880.db2.gz ZOWFAABJIOHJTO-AWEZNQCLSA-N 1 0 329.444 2.857 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)Cc2ccc(F)cc2)cc1C ZINC001322064425 1329425986 /nfs/dbraw/zinc/42/59/86/1329425986.db2.gz ONAOYUAYKMBFNK-HNNXBMFYSA-N 1 0 344.430 2.980 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)C[C@H](C)SC)CC2)cc1C ZINC001323423818 1329542692 /nfs/dbraw/zinc/54/26/92/1329542692.db2.gz KWCYLWIVFPWXIY-AWEZNQCLSA-N 1 0 336.501 2.884 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)COC(C)C)CCC2)cc1C ZINC001326786437 1330363986 /nfs/dbraw/zinc/36/39/86/1330363986.db2.gz RUIPJBVTNKBLCZ-UHFFFAOYSA-N 1 0 334.460 2.557 10 10 EFCERO CCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC001328373375 1330588484 /nfs/dbraw/zinc/58/84/84/1330588484.db2.gz JVESYRPLQVCAEQ-VQIMIIECSA-N 1 0 345.487 2.655 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)C[C@H](C)OC)cc1C ZINC001328604305 1330607648 /nfs/dbraw/zinc/60/76/48/1330607648.db2.gz FNCJHKFNHZPJJQ-WMZOPIPTSA-N 1 0 348.487 2.899 10 10 EFCERO COc1ccc(N2CC[C@H]([NH2+]Cc3cccnc3N(C)C)C2)cc1 ZINC001328696714 1330616941 /nfs/dbraw/zinc/61/69/41/1330616941.db2.gz NGWHGBVNIRGDTI-INIZCTEOSA-N 1 0 326.444 2.525 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2c(C)ccn2C)cc1C ZINC001329026203 1330658852 /nfs/dbraw/zinc/65/88/52/1330658852.db2.gz FGQMVPBLJHIMKW-HZPDHXFCSA-N 1 0 343.471 2.947 10 10 EFCERO CCc1oncc1C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001329135522 1330672373 /nfs/dbraw/zinc/67/23/73/1330672373.db2.gz YMCMCGWRJOKHJJ-KBPBESRZSA-N 1 0 345.443 2.851 10 10 EFCERO CN1CCN(c2ccc(C[NH2+]CC[C@@H]3CCSC3)cc2F)CC1 ZINC001329288396 1330690401 /nfs/dbraw/zinc/69/04/01/1330690401.db2.gz XTMLPFIRMQJQAZ-OAHLLOKOSA-N 1 0 337.508 2.810 10 10 EFCERO c1cc(N2CCCC2)ccc1C[NH2+]C[C@@H]1CC2(CO1)CCOCC2 ZINC001329293252 1330691027 /nfs/dbraw/zinc/69/10/27/1330691027.db2.gz SUQOLOKDCGMTQI-IBGZPJMESA-N 1 0 330.472 2.962 10 10 EFCERO C[C@@](CO)([NH2+]Cc1ccc(N2CCCC2)cc1)c1cccc(O)c1 ZINC001329523265 1330715284 /nfs/dbraw/zinc/71/52/84/1330715284.db2.gz WPWQYSNGMKGNLO-FQEVSTJZSA-N 1 0 326.440 2.990 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2cc(C)no2)cc1C ZINC001331385563 1330830741 /nfs/dbraw/zinc/83/07/41/1330830741.db2.gz FRVFQLPKTWCZEM-AWEZNQCLSA-N 1 0 331.416 2.550 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2ccc(F)nc2)cc1C ZINC001331403496 1330833186 /nfs/dbraw/zinc/83/31/86/1330833186.db2.gz CRFABBGRQKWQNR-AWEZNQCLSA-N 1 0 345.418 2.788 10 10 EFCERO COCC1=CCN(Cc2c3cc(F)ccc3n(C)c2C(=O)OC)CC1 ZINC001331549985 1330851821 /nfs/dbraw/zinc/85/18/21/1330851821.db2.gz RQVNXJIFFCZRME-UHFFFAOYSA-N 1 0 346.402 2.883 10 10 EFCERO CCOC(=O)[C@@]1(F)C[N@H+](Cc2cc(OC)ccc2O)C[C@@H]1CC ZINC001331564125 1330853594 /nfs/dbraw/zinc/85/35/94/1330853594.db2.gz CJYQRYLDSBZACC-SUMWQHHRSA-N 1 0 325.380 2.514 10 10 EFCERO COC(=O)c1c(C[NH2+][C@H]2CCC[C@H]2CCO)c2cc(F)ccc2n1C ZINC001331566416 1330854361 /nfs/dbraw/zinc/85/43/61/1330854361.db2.gz PNMVHUKAKWQTLN-LRDDRELGSA-N 1 0 348.418 2.745 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2nc(C)oc2C)cc1C ZINC001331594464 1330857363 /nfs/dbraw/zinc/85/73/63/1330857363.db2.gz LBJFBEOQDPZCFB-ZDUSSCGKSA-N 1 0 345.443 2.859 10 10 EFCERO CCOCC(=O)N[C@@H](C[NH2+]Cc1ccc(OC)c(C)c1)C(C)(C)C ZINC001332756966 1331017207 /nfs/dbraw/zinc/01/72/07/1331017207.db2.gz ODWZRNNLAPJOBQ-KRWDZBQOSA-N 1 0 336.476 2.661 10 10 EFCERO CC(C)(C)[C@@H](C[NH2+]CCF)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001332898214 1331036386 /nfs/dbraw/zinc/03/63/86/1331036386.db2.gz HNHHOWJBJMFZDR-CYBMUJFWSA-N 1 0 337.399 2.553 10 10 EFCERO [NH3+][C@H]1CN(Cc2ccc(N3CCCC3)cc2)CC[C@H]1C(F)(F)F ZINC001333175278 1331088593 /nfs/dbraw/zinc/08/85/93/1331088593.db2.gz FROZTWHBSVOKTH-CVEARBPZSA-N 1 0 327.394 2.998 10 10 EFCERO CN(C)c1ccc(/C=C/C[N@@H+]2C[C@@H](O)CC3(CCOCC3)C2)cc1 ZINC001333735019 1331204155 /nfs/dbraw/zinc/20/41/55/1331204155.db2.gz VSDBHGAWRMGHEL-RTLBZRNLSA-N 1 0 330.472 2.629 10 10 EFCERO CN1CCN(c2ccc(C[N@@H+]3CC[C@]4(C3)CCCOC4)cc2F)CC1 ZINC001333820508 1331219532 /nfs/dbraw/zinc/21/95/32/1331219532.db2.gz QLZYTAMBNCSFMQ-FQEVSTJZSA-N 1 0 347.478 2.580 10 10 EFCERO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001346792963 1332689273 /nfs/dbraw/zinc/68/92/73/1332689273.db2.gz URUXSORFJTVLRN-DJIMGWMZSA-N 1 0 331.460 2.654 10 10 EFCERO O=C(NCc1cccc(O)c1O)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC001347232868 1332726552 /nfs/dbraw/zinc/72/65/52/1332726552.db2.gz CJZRHTNMDWUKIA-KRWDZBQOSA-N 1 0 340.423 2.594 10 10 EFCERO CN1c2ccccc2C[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1=O ZINC001347357390 1332737490 /nfs/dbraw/zinc/73/74/90/1332737490.db2.gz QXWNFNJEPKLSQI-LJQANCHMSA-N 1 0 335.451 2.964 10 10 EFCERO Cc1ccncc1CC[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001350134666 1333039323 /nfs/dbraw/zinc/03/93/23/1333039323.db2.gz BDODZTHIAMAQMM-UHFFFAOYSA-N 1 0 342.462 2.613 10 10 EFCERO CC[C@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@H]1CCCCO1 ZINC000847077471 1333312542 /nfs/dbraw/zinc/31/25/42/1333312542.db2.gz GKNFNVPCZNXEJR-RBUKOAKNSA-N 1 0 347.503 2.648 10 10 EFCERO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@@H]2OCc3ccccc32)cc1 ZINC000848393620 1334705056 /nfs/dbraw/zinc/70/50/56/1334705056.db2.gz IHYLNCSOOUHABK-MOPGFXCFSA-N 1 0 339.439 2.530 10 10 EFCERO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@H]2OCc3ccccc32)cc1 ZINC000848393623 1334705281 /nfs/dbraw/zinc/70/52/81/1334705281.db2.gz IHYLNCSOOUHABK-RTBURBONSA-N 1 0 339.439 2.530 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+]Cc2ccnn2C)c1O ZINC000848518637 1334770735 /nfs/dbraw/zinc/77/07/35/1334770735.db2.gz LZEVSOYBJQGUOW-SECBINFHSA-N 1 0 340.221 2.748 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+]C2CCOCC2)c1O ZINC000848522003 1334771457 /nfs/dbraw/zinc/77/14/57/1334771457.db2.gz TWOVGAOOOKOPOI-VIFPVBQESA-N 1 0 330.222 2.993 10 10 EFCERO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CS1 ZINC000848521307 1334771470 /nfs/dbraw/zinc/77/14/70/1334771470.db2.gz MPMFQAGXIMSEBM-HYVNUMGLSA-N 1 0 347.528 2.762 10 10 EFCERO COc1ccc(N2CCN(CC[NH2+][C@@H]3CC[C@H](C)SC3)CC2)cc1 ZINC000848525587 1334775177 /nfs/dbraw/zinc/77/51/77/1334775177.db2.gz OBPOJKVKILDEFT-DLBZAZTESA-N 1 0 349.544 2.691 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CCCN2C)c1O ZINC000848526546 1334775595 /nfs/dbraw/zinc/77/55/95/1334775595.db2.gz AWGRHNOFLARXKM-PWSUYJOCSA-N 1 0 343.265 2.908 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](O)C(C)C)c1O ZINC000848530784 1334777517 /nfs/dbraw/zinc/77/75/17/1334777517.db2.gz KHRKDEMJFAMACO-CABZTGNLSA-N 1 0 332.238 2.831 10 10 EFCERO C[C@@H]([NH2+]Cc1cnc(Cl)n1C)c1ccc(N2CCOCC2)cc1 ZINC000848531700 1334778110 /nfs/dbraw/zinc/77/81/10/1334778110.db2.gz RZLSLXSGKGMPDH-CYBMUJFWSA-N 1 0 334.851 2.761 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2C=C[C@H](CO)C2)c1O ZINC000848532607 1334780144 /nfs/dbraw/zinc/78/01/44/1334780144.db2.gz JMQJNTWUPPUNDI-JBLDHEPKSA-N 1 0 342.233 2.751 10 10 EFCERO COc1ccc(N2CCC([NH2+]Cc3cnc(Cl)n3C)CC2)cc1 ZINC000848535248 1334780483 /nfs/dbraw/zinc/78/04/83/1334780483.db2.gz XRYVSUKTFCZEJU-UHFFFAOYSA-N 1 0 334.851 2.841 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+]CC2(C)OCCO2)c1O ZINC000848535977 1334781168 /nfs/dbraw/zinc/78/11/68/1334781168.db2.gz IOXIKSVSRKTIFW-VIFPVBQESA-N 1 0 346.221 2.577 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+]CCN2CCC2)c1O ZINC000848536968 1334782768 /nfs/dbraw/zinc/78/27/68/1334782768.db2.gz YQMGFNWJSUMGGD-SNVBAGLBSA-N 1 0 329.238 2.520 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](CO)CC2CC2)c1O ZINC000848536632 1334783472 /nfs/dbraw/zinc/78/34/72/1334783472.db2.gz SAOPGQWODPARAW-BXKDBHETSA-N 1 0 344.249 2.975 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)C(C)(C)O)c1O ZINC000848541656 1334785409 /nfs/dbraw/zinc/78/54/09/1334785409.db2.gz SJGZPYIURVQLMQ-BDAKNGLRSA-N 1 0 332.238 2.973 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+]CC2(N(C)C)CC2)c1O ZINC000848552965 1334791121 /nfs/dbraw/zinc/79/11/21/1334791121.db2.gz GXCYMDRPROFQFO-JTQLQIEISA-N 1 0 343.265 2.908 10 10 EFCERO CC[C@H]([NH2+][C@H](C)c1cc(Br)cc(OC)c1O)[C@@H](C)O ZINC000848553888 1334791681 /nfs/dbraw/zinc/79/16/81/1334791681.db2.gz OHFWGRIRNFZDLE-LNLATYFQSA-N 1 0 332.238 2.973 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+][C@H](CO)CCF)c1O ZINC000848555350 1334791915 /nfs/dbraw/zinc/79/19/15/1334791915.db2.gz AKOQOTRDPBANGC-SCZZXKLOSA-N 1 0 336.201 2.534 10 10 EFCERO CC[C@H]([NH2+][C@@H](C)c1cc(Br)cc(OC)c1O)[C@H](C)O ZINC000848553886 1334792114 /nfs/dbraw/zinc/79/21/14/1334792114.db2.gz OHFWGRIRNFZDLE-AUTRQRHGSA-N 1 0 332.238 2.973 10 10 EFCERO COc1ccc(N2CC[C@H](C[NH2+]Cc3cnc(Cl)n3C)C2)cc1 ZINC000848556348 1334792762 /nfs/dbraw/zinc/79/27/62/1334792762.db2.gz VDEOKPYMNJOREP-CYBMUJFWSA-N 1 0 334.851 2.698 10 10 EFCERO CCCCN(Cc1ccccc1O)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000848598171 1334809708 /nfs/dbraw/zinc/80/97/08/1334809708.db2.gz HVQWTVNGZWHQRT-CYBMUJFWSA-N 1 0 333.354 2.594 10 10 EFCERO CCc1cccc(C[NH2+][C@H]2CCCN(c3cccnc3)C2=O)c1O ZINC000848903242 1334973856 /nfs/dbraw/zinc/97/38/56/1334973856.db2.gz ZRIMHODZLBPMIA-KRWDZBQOSA-N 1 0 325.412 2.635 10 10 EFCERO CCc1cccc(C[N@@H+]2CCCC[C@@H]2CCS(C)(=O)=O)c1O ZINC000848913135 1334982003 /nfs/dbraw/zinc/98/20/03/1334982003.db2.gz PAENMDXYTQPARM-MRXNPFEDSA-N 1 0 325.474 2.744 10 10 EFCERO CCOc1ccc(O)c(C[NH+]2CCC([C@@H]3NC(=O)C3(C)C)CC2)c1 ZINC000848918500 1334986082 /nfs/dbraw/zinc/98/60/82/1334986082.db2.gz BHXIOOVNLBVILQ-KRWDZBQOSA-N 1 0 332.444 2.528 10 10 EFCERO CC(C)OC(=O)C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C(C)C ZINC000848926874 1334991980 /nfs/dbraw/zinc/99/19/80/1334991980.db2.gz GEHLJMYOCWGOCW-LJQANCHMSA-N 1 0 348.487 2.979 10 10 EFCERO C[C@H]1CCCN(C(=[NH2+])NCc2cc(Br)ccc2O)C1 ZINC000849051879 1335058356 /nfs/dbraw/zinc/05/83/56/1335058356.db2.gz JYKGDSJSUAIDGZ-JTQLQIEISA-N 1 0 326.238 2.911 10 10 EFCERO COc1cc(O)c(C[NH2+][C@@H]2CNCC[C@@H]2c2ccccc2)cc1OC ZINC000849350029 1335596511 /nfs/dbraw/zinc/59/65/11/1335596511.db2.gz NTLNVFFEIODIIB-IAGOWNOFSA-N 1 0 342.439 2.645 10 10 EFCERO COc1ccc([C@@H]2CCNC[C@@H]2[NH2+]Cc2ccccc2O)cc1F ZINC000849352494 1335597372 /nfs/dbraw/zinc/59/73/72/1335597372.db2.gz MXHRZLYVLVAGHI-RDJZCZTQSA-N 1 0 330.403 2.775 10 10 EFCERO Cc1nnc(N(C)Cc2ccccc2O)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001492781906 1352985472 /nfs/dbraw/zinc/98/54/72/1352985472.db2.gz PMYTZBQFEWUJOO-HNNXBMFYSA-N 1 0 343.475 2.660 10 10 EFCERO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)c2cnsn2)cc1C ZINC001506911348 1406431247 /nfs/dbraw/zinc/43/12/47/1406431247.db2.gz HAAFWQHBNCLWTC-ZDUSSCGKSA-N 1 0 348.472 2.543 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C2CC2)N(C)C(=O)[C@H]2CCCO2)cc1C ZINC001507002786 1406576343 /nfs/dbraw/zinc/57/63/43/1406576343.db2.gz ZACWTBAHFNXUMR-PKOBYXMFSA-N 1 0 346.471 2.509 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)CC[C@@H]2CCCO2)cc1C ZINC001507047904 1406637316 /nfs/dbraw/zinc/63/73/16/1406637316.db2.gz NQOZIKQAPLJLBL-WMZOPIPTSA-N 1 0 348.487 2.899 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2cncs2)cc1C ZINC001507052903 1406642327 /nfs/dbraw/zinc/64/23/27/1406642327.db2.gz RHILALXGEFUTAQ-CYBMUJFWSA-N 1 0 333.457 2.710 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)CC[C@@H]2CCOC2)cc1C ZINC001507060142 1406650879 /nfs/dbraw/zinc/65/08/79/1406650879.db2.gz IXRYHCDUBSHGMF-IAGOWNOFSA-N 1 0 348.487 2.757 10 10 EFCERO C[NH+](C)Cc1c2ccccc2oc1C(=O)NCc1cc(O)ccc1O ZINC001455356580 1394593767 /nfs/dbraw/zinc/59/37/67/1394593767.db2.gz JNWYUZSYDBEEOP-UHFFFAOYSA-N 1 0 340.379 2.836 10 10 EFCERO CC(C)CC[NH2+][C@@H](C)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001507160208 1406788788 /nfs/dbraw/zinc/78/87/88/1406788788.db2.gz XCNXTJKBPJUJDX-ZDUSSCGKSA-N 1 0 333.436 2.945 10 10 EFCERO C[NH+]1CCN(c2ccc(CNC(=O)/C=C\c3ccccc3)cc2)CC1 ZINC001462485895 1396437658 /nfs/dbraw/zinc/43/76/58/1396437658.db2.gz LKMKHNHRAPQWRM-XFXZXTDPSA-N 1 0 335.451 2.768 10 10 EFCERO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC001464984244 1396637293 /nfs/dbraw/zinc/63/72/93/1396637293.db2.gz ZTDRRCJIHNTQJA-KRWDZBQOSA-N 1 0 339.439 2.731 10 10 EFCERO C[NH+](C)C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(Cl)cc1 ZINC001467488138 1396861161 /nfs/dbraw/zinc/86/11/61/1396861161.db2.gz VECZMLSCCREPSQ-OAHLLOKOSA-N 1 0 348.830 2.713 10 10 EFCERO CN1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC12CCCCC2 ZINC001473486306 1397305408 /nfs/dbraw/zinc/30/54/08/1397305408.db2.gz HUPKFMIPLHBWHB-UHFFFAOYSA-N 1 0 343.515 2.974 10 10 EFCERO CCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001507338283 1406906979 /nfs/dbraw/zinc/90/69/79/1406906979.db2.gz IVYVITQYJIWOPN-DOMZBBRYSA-N 1 0 331.420 2.842 10 10 EFCERO CC[C@H](C)OCC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001480613776 1398249544 /nfs/dbraw/zinc/24/95/44/1398249544.db2.gz RKKQJPKJPRRCJX-RDJZCZTQSA-N 1 0 334.460 2.509 10 10 EFCERO CCc1cc(C(=O)NC[C@@H](CC)[NH2+]Cc2ccc(OC)c(C)c2)[nH]n1 ZINC001494944015 1399571455 /nfs/dbraw/zinc/57/14/55/1399571455.db2.gz XWWIWYOFHRPJGD-MRXNPFEDSA-N 1 0 344.459 2.587 10 10 EFCERO CC[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CCC1CC1 ZINC001495118267 1399679291 /nfs/dbraw/zinc/67/92/91/1399679291.db2.gz PVXVNZJFFJMVJP-AWEZNQCLSA-N 1 0 331.420 2.747 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)NC2(C[NH2+]CCCF)CCCC2)cc1 ZINC001495209905 1399739311 /nfs/dbraw/zinc/73/93/11/1399739311.db2.gz DMFKVRHFWCWFHO-UHFFFAOYSA-N 1 0 349.410 2.841 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)c2nc(C)oc2C)cc1C ZINC001496194009 1400531371 /nfs/dbraw/zinc/53/13/71/1400531371.db2.gz IECZAKPKTPOBHE-ZDUSSCGKSA-N 1 0 345.443 2.859 10 10 EFCERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2cc(C)n[nH]2)C(C)C)cc1C ZINC001496532685 1400801852 /nfs/dbraw/zinc/80/18/52/1400801852.db2.gz UCKPPJYDAIBFFZ-KRWDZBQOSA-N 1 0 344.459 2.579 10 10 EFCERO CCC1(C(=O)N[C@@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)CCOCC1 ZINC001498151873 1401880902 /nfs/dbraw/zinc/88/09/02/1401880902.db2.gz YIDOHFKCWGJKCS-INIZCTEOSA-N 1 0 348.487 2.805 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)c3ccns3)CC2)cc1C ZINC001499241343 1402535077 /nfs/dbraw/zinc/53/50/77/1402535077.db2.gz XWXWWIRTSKLZHI-UHFFFAOYSA-N 1 0 331.441 2.512 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@H]2C[NH2+]C/C=C\Cl)cc1 ZINC001499954891 1402869150 /nfs/dbraw/zinc/86/91/50/1402869150.db2.gz JLXUDVDPRDIYCZ-GRTSXNNNSA-N 1 0 349.822 2.796 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)N2CC[C@H](CC[NH2+]CC3CC3)C2)cc1 ZINC001501655238 1403672619 /nfs/dbraw/zinc/67/26/19/1403672619.db2.gz OOGGTLVLNHGLFF-AWEZNQCLSA-N 1 0 343.431 2.701 10 10 EFCERO COc1ccc(C[NH2+][C@H]2CN(C(=O)CCOC(C)C)C[C@H]2C)cc1C ZINC001502703750 1404301296 /nfs/dbraw/zinc/30/12/96/1404301296.db2.gz QNVVMDJOQQJLPR-AEFFLSMTSA-N 1 0 348.487 2.755 10 10 EFCERO COCC(C)(C)C(=O)NC1CC(C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001505508196 1404733306 /nfs/dbraw/zinc/73/33/06/1404733306.db2.gz FSEPKZUSLWEFIF-UHFFFAOYSA-N 1 0 348.487 2.661 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2ccncc2)cc1C ZINC001505546942 1404756165 /nfs/dbraw/zinc/75/61/65/1404756165.db2.gz DKZSCUUXPUFSGC-CABCVRRESA-N 1 0 327.428 2.695 10 10 EFCERO C[C@H](F)CC[N@H+](C)[C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001506067718 1405428153 /nfs/dbraw/zinc/42/81/53/1405428153.db2.gz TWUFRZDSHDOHHL-RYUDHWBXSA-N 1 0 337.399 2.647 10 10 EFCERO CC[C@@H](C)[C@H](C(=O)OC)[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC001559492310 1415249079 /nfs/dbraw/zinc/24/90/79/1415249079.db2.gz LXSFTPVNFMDSHZ-CRAIPNDOSA-N 1 0 334.460 2.795 10 10 EFCERO CC[C@H](C)[C@H](C(=O)OC)[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC001559492311 1415249180 /nfs/dbraw/zinc/24/91/80/1415249180.db2.gz LXSFTPVNFMDSHZ-MAUKXSAKSA-N 1 0 334.460 2.795 10 10 EFCERO C[NH+]1CCN(c2ccc(CNC(=O)NCC3CC(C)(C)C3)cc2)CC1 ZINC001564579060 1415379158 /nfs/dbraw/zinc/37/91/58/1415379158.db2.gz GHJDHLJHPDPXLE-UHFFFAOYSA-N 1 0 344.503 2.674 10 10 EFCERO C=C/C=C\CC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC001565644946 1415408474 /nfs/dbraw/zinc/40/84/74/1415408474.db2.gz LBOVGFMVGKNVDU-WAYWQWQTSA-N 1 0 331.435 2.716 10 10 EFCERO COc1ccc(-n2c(C)cc(C(=O)N[C@H]3CCC[N@H+](C)C3)c2C)cc1 ZINC001565667591 1415409103 /nfs/dbraw/zinc/40/91/03/1415409103.db2.gz JCZNJFDNNJAYJU-INIZCTEOSA-N 1 0 341.455 2.927 10 10 EFCERO COCCC(=O)N1CCCCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001566064656 1415499109 /nfs/dbraw/zinc/49/91/09/1415499109.db2.gz UIYSVAVYLUJPRS-GOSISDBHSA-N 1 0 348.487 2.901 10 10 EFCERO COc1ccc(O)c([C@@H](C)NC(=O)c2cccc(CC[NH+](C)C)c2)c1 ZINC001566374670 1415544175 /nfs/dbraw/zinc/54/41/75/1415544175.db2.gz PSCXIRWIIXNPCX-CQSZACIVSA-N 1 0 342.439 2.996 10 10 EFCERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2conc2C)C2CC2)cc1C ZINC001566719312 1415745270 /nfs/dbraw/zinc/74/52/70/1415745270.db2.gz BUCCORPETDHSFI-KRWDZBQOSA-N 1 0 343.427 2.598 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2scnc2C)cc1C ZINC001566999588 1415894706 /nfs/dbraw/zinc/89/47/06/1415894706.db2.gz GYLFKIFBTFBKSR-GFCCVEGCSA-N 1 0 333.457 2.677 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2ccccn2)cc1C ZINC001567205288 1415994602 /nfs/dbraw/zinc/99/46/02/1415994602.db2.gz FLBACIRDLQYDIM-OAHLLOKOSA-N 1 0 327.428 2.697 10 10 EFCERO CCc1cc(C(=O)NCC[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)no1 ZINC001567236516 1416005904 /nfs/dbraw/zinc/00/59/04/1416005904.db2.gz LJSMPVOHRQSISO-CQSZACIVSA-N 1 0 345.443 2.852 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)c2c(C)ccn2C)cc1C ZINC001567487002 1416157156 /nfs/dbraw/zinc/15/71/56/1416157156.db2.gz KOVLUJSVAMYTCK-UHFFFAOYSA-N 1 0 329.444 2.512 10 10 EFCERO CCn1ccc(C(=O)N(C)CC[NH2+]Cc2ccc(OC)c(C)c2)c1C ZINC001567548407 1416182685 /nfs/dbraw/zinc/18/26/85/1416182685.db2.gz HZUOULXQOGNFAI-UHFFFAOYSA-N 1 0 343.471 2.995 10 10 EFCERO Cc1ccccc1[C@H]([C@@H](C)NC(=O)Cc1ccc(O)c(O)c1)[NH+](C)C ZINC001567696401 1416252616 /nfs/dbraw/zinc/25/26/16/1416252616.db2.gz KXXINVJNZFGOJI-VLIAUNLRSA-N 1 0 342.439 2.756 10 10 EFCERO CCc1cc(C(=O)NC[C@@H](CC)[NH2+]Cc2ccc(OC)c(C)c2)no1 ZINC001567984954 1416350732 /nfs/dbraw/zinc/35/07/32/1416350732.db2.gz XFPXFMOFZKPDTK-OAHLLOKOSA-N 1 0 345.443 2.852 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2cnc(C)s2)cc1C ZINC001568163876 1416430509 /nfs/dbraw/zinc/43/05/09/1416430509.db2.gz FQJKJBSUFZQVCZ-LBPRGKRZSA-N 1 0 347.484 2.924 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)C2(C(F)F)CC2)cc1C ZINC001568171741 1416432433 /nfs/dbraw/zinc/43/24/33/1416432433.db2.gz HAADCXWDCWMZQR-LBPRGKRZSA-N 1 0 340.414 2.891 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)c2c(C)noc2C)cc1C ZINC001568257912 1416457790 /nfs/dbraw/zinc/45/77/90/1416457790.db2.gz RNEPVEBJVCWRCF-ZDUSSCGKSA-N 1 0 345.443 2.859 10 10 EFCERO CC[C@@H](C)C[NH2+]C[C@@H](C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001568323020 1416476579 /nfs/dbraw/zinc/47/65/79/1416476579.db2.gz UVKJYGVTPUYMQF-CHWSQXEVSA-N 1 0 333.436 2.945 10 10 EFCERO CC[C@H](C)C[NH2+]C[C@H](C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001568323024 1416476643 /nfs/dbraw/zinc/47/66/43/1416476643.db2.gz UVKJYGVTPUYMQF-STQMWFEESA-N 1 0 333.436 2.945 10 10 EFCERO CN(C)c1ccc([C@H](CNC(=O)NC2(C3(C)CC3)CC2)[NH+](C)C)cc1 ZINC001684608023 1416724495 /nfs/dbraw/zinc/72/44/95/1416724495.db2.gz YVTYKIZTLSKLSJ-KRWDZBQOSA-N 1 0 344.503 2.987 10 10 EFCERO COc1ccc(C[NH2+][C@H](CNC(=O)c2nocc2C)C2CC2)cc1C ZINC001690176504 1417170284 /nfs/dbraw/zinc/17/02/84/1417170284.db2.gz UAHWTKAFUSFXGP-MRXNPFEDSA-N 1 0 343.427 2.598 10 10 EFCERO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)CCOC(C)C)C2)cc1C ZINC001690695637 1417226137 /nfs/dbraw/zinc/22/61/37/1417226137.db2.gz LOOJFFZCPYEVKA-GOSISDBHSA-N 1 0 348.487 2.757 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2cccc(C)n2)cc1C ZINC001698738133 1417323408 /nfs/dbraw/zinc/32/34/08/1417323408.db2.gz FWTUYWCXBQXKHG-CQSZACIVSA-N 1 0 341.455 2.863 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)c3ncoc3C)CCC2)cc1C ZINC001700128405 1417577211 /nfs/dbraw/zinc/57/72/11/1417577211.db2.gz VGOAAYLWDPCLDL-UHFFFAOYSA-N 1 0 343.427 2.742 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)CC[C@H]2CCCO2)cc1C ZINC001713295656 1418459737 /nfs/dbraw/zinc/45/97/37/1418459737.db2.gz HQOYASCTTFYUJD-DOTOQJQBSA-N 1 0 334.460 2.557 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2c(C)noc2C)cc1C ZINC001713402966 1418509771 /nfs/dbraw/zinc/50/97/71/1418509771.db2.gz YXTHXPQEELNWDY-CYBMUJFWSA-N 1 0 345.443 2.907 10 10 EFCERO CCn1nccc1C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001713407149 1418512092 /nfs/dbraw/zinc/51/20/92/1418512092.db2.gz VPAXUFPOCCCTCS-OAHLLOKOSA-N 1 0 344.459 2.518 10 10 EFCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)cc1C ZINC001715862392 1418692638 /nfs/dbraw/zinc/69/26/38/1418692638.db2.gz LEGCDAGXHGLEEV-YDDHHUIZSA-N 1 0 328.456 2.812 10 10 EFCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)c2oncc2C)cc1C ZINC001716184918 1418715625 /nfs/dbraw/zinc/71/56/25/1418715625.db2.gz IVEJYNYXUFBFHM-AWEZNQCLSA-N 1 0 331.416 2.598 10 10 EFCERO C[C@@H](F)CC[N@H+](C)C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001716508029 1418902651 /nfs/dbraw/zinc/90/26/51/1418902651.db2.gz IGDCJXSJBMVDJF-NEPJUHHUSA-N 1 0 337.399 2.647 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)[C@@H](F)C(C)C)C2CC2)cc1C ZINC001716619971 1418926568 /nfs/dbraw/zinc/92/65/68/1418926568.db2.gz YCLJWHAGRKAEKF-AEFFLSMTSA-N 1 0 336.451 2.982 10 10 EFCERO C[C@]1(C[NH2+]CC2CC2)CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001716882092 1419072972 /nfs/dbraw/zinc/07/29/72/1419072972.db2.gz RKXBEQDCZBMEOU-GOSISDBHSA-N 1 0 343.431 2.701 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)N[C@H]2CC[C@H](C[NH2+]CCF)CC2)cc1 ZINC001717125580 1419226336 /nfs/dbraw/zinc/22/63/36/1419226336.db2.gz OOVWXXMTGQRQLS-MQMHXKEQSA-N 1 0 349.410 2.697 10 10 EFCERO C[N@H+](CCCF)C[C@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001717376421 1419368613 /nfs/dbraw/zinc/36/86/13/1419368613.db2.gz QLYMZFUFRYAMNQ-OAHLLOKOSA-N 1 0 349.410 2.745 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2n[nH]c(C)c2C)cc1C ZINC001717402951 1419380487 /nfs/dbraw/zinc/38/04/87/1419380487.db2.gz MUBXHEDJCCCKEH-CABCVRRESA-N 1 0 344.459 2.640 10 10 EFCERO C[C@H](CCC[NH2+]CC1CC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001717696656 1419512387 /nfs/dbraw/zinc/51/23/87/1419512387.db2.gz IFCYUBXVGGEAON-GFCCVEGCSA-N 1 0 331.420 2.747 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](NC(=O)c2ccn[nH]2)C(C)(C)C)cc1C ZINC001717954794 1419627295 /nfs/dbraw/zinc/62/72/95/1419627295.db2.gz QXRZEYXWCWHCIF-KRWDZBQOSA-N 1 0 344.459 2.661 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)c2cocn2)C(C)(C)C)cc1C ZINC001717956663 1419628277 /nfs/dbraw/zinc/62/82/77/1419628277.db2.gz XYAKUXPOLWHZRQ-QGZVFWFLSA-N 1 0 345.443 2.926 10 10 EFCERO COc1ccc(C[NH2+]CCCN(C)C(=O)c2nc(C)oc2C)cc1C ZINC001723158241 1424437654 /nfs/dbraw/zinc/43/76/54/1424437654.db2.gz VMNFCIZZKKDEGP-UHFFFAOYSA-N 1 0 345.443 2.860 10 10 EFCERO CN(CCC[NH2+]C/C=C/Cl)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001723204941 1424451481 /nfs/dbraw/zinc/45/14/81/1424451481.db2.gz KUJSTZBQYAOCMB-JECIBBIKSA-N 1 0 337.811 2.653 10 10 EFCERO COC[C@@H](C)C[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000187680930 712949037 /nfs/dbraw/zinc/94/90/37/712949037.db2.gz ILAWLEMWBWZFGC-ZDUSSCGKSA-N 1 0 346.393 2.914 10 10 EFCERO CCN(CC)C(=O)C1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000120231316 713018574 /nfs/dbraw/zinc/01/85/74/713018574.db2.gz ILMXLECXOVNNRA-UHFFFAOYSA-N 1 0 330.472 2.961 10 10 EFCERO O=C(NCc1cc(Br)ccc1O)c1ccc2c[nH+]cn2c1 ZINC000804734390 713455703 /nfs/dbraw/zinc/45/57/03/713455703.db2.gz DBQZKEZNNYTEJW-UHFFFAOYSA-N 1 0 346.184 2.732 10 10 EFCERO CC[C@@H](C(=O)NCc1cc(Br)ccc1O)[NH+](CC)CC ZINC000804738486 713456147 /nfs/dbraw/zinc/45/61/47/713456147.db2.gz RVJPLGYQBBCAPU-ZDUSSCGKSA-N 1 0 343.265 2.891 10 10 EFCERO CC[NH+](CC)[C@@H]1CCN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000255136794 713840831 /nfs/dbraw/zinc/84/08/31/713840831.db2.gz GLYQGZIWAKPILX-SOIVGHGOSA-N 1 0 347.415 2.702 10 10 EFCERO COc1ccc(N2CC[NH+](C[C@H](O)c3ccccc3C)CC2)cc1F ZINC000084867103 714955127 /nfs/dbraw/zinc/95/51/27/714955127.db2.gz DJFNDQOMPAGHLN-IBGZPJMESA-N 1 0 344.430 2.998 10 10 EFCERO COC(=O)c1cc2ccccc2c(C[N@H+](C)C[C@@H]2CCOC2)c1O ZINC000176095781 715054766 /nfs/dbraw/zinc/05/47/66/715054766.db2.gz FOGIDBZWOLESTK-ZDUSSCGKSA-N 1 0 329.396 2.800 10 10 EFCERO CO[C@](C)(CO)C[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000848556886 715281437 /nfs/dbraw/zinc/28/14/37/715281437.db2.gz AMNUKIOAGZKWEE-YGRLFVJLSA-N 1 0 332.238 2.511 10 10 EFCERO CC(C)C[C@@]1(CO)CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000188040030 715646304 /nfs/dbraw/zinc/64/63/04/715646304.db2.gz QHTZQAJTGRULJG-HXUWFJFHSA-N 1 0 332.488 2.896 10 10 EFCERO CCOCc1cc(C[NH2+][C@H]2CCO[C@@H]2c2cc[nH]n2)ccc1OC ZINC000888077110 715829749 /nfs/dbraw/zinc/82/97/49/715829749.db2.gz KKAPFXRHTYONDE-YJBOKZPZSA-N 1 0 331.416 2.575 10 10 EFCERO COC(=O)c1c(C[NH2+]C[C@H]2CC[C@@H](C)O2)c2cc(F)ccc2n1C ZINC000894969617 723038713 /nfs/dbraw/zinc/03/87/13/723038713.db2.gz JDSJGQHLGDJUDW-DGCLKSJQSA-N 1 0 334.391 2.761 10 10 EFCERO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000027762752 716911759 /nfs/dbraw/zinc/91/17/59/716911759.db2.gz GAODCZORWYJNBQ-AWEZNQCLSA-N 1 0 340.427 2.855 10 10 EFCERO Cc1ccc(O)c(C[NH+]2CCN(C(=O)NC3CCCCC3)CC2)c1 ZINC000180017072 718083820 /nfs/dbraw/zinc/08/38/20/718083820.db2.gz AWVUSJXILWEKSD-UHFFFAOYSA-N 1 0 331.460 2.861 10 10 EFCERO C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000925813833 718848433 /nfs/dbraw/zinc/84/84/33/718848433.db2.gz ZSPFILOYAJIMSL-JTQLQIEISA-N 1 0 332.275 2.773 10 10 EFCERO CN(C)c1ccc(/C=C/C[NH2+]CC2(CS(C)(=O)=O)CCC2)cc1 ZINC000840975976 719990422 /nfs/dbraw/zinc/99/04/22/719990422.db2.gz TYUUPTQFCWQFKB-GQCTYLIASA-N 1 0 336.501 2.570 10 10 EFCERO CN(C)c1ccc(/C=C\C[NH2+]CC2(CS(C)(=O)=O)CCC2)cc1 ZINC000840975978 719991024 /nfs/dbraw/zinc/99/10/24/719991024.db2.gz TYUUPTQFCWQFKB-XQRVVYSFSA-N 1 0 336.501 2.570 10 10 EFCERO [NH3+]Cc1ccc(C(=O)NCc2ccc(N3CCSCC3)cc2)cc1 ZINC000237975767 720030059 /nfs/dbraw/zinc/03/00/59/720030059.db2.gz WQDHAAUBWZOUAO-UHFFFAOYSA-N 1 0 341.480 2.629 10 10 EFCERO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2cc(F)cc(F)c2)c1 ZINC000182345168 720117439 /nfs/dbraw/zinc/11/74/39/720117439.db2.gz QJYAHKUWTLFLGY-JTQLQIEISA-N 1 0 336.338 2.968 10 10 EFCERO COC(=O)c1c(C[NH+]2CCC(CCO)CC2)c2cc(F)ccc2n1C ZINC000893922091 720162685 /nfs/dbraw/zinc/16/26/85/720162685.db2.gz ZKWAVSGXWZEHNN-UHFFFAOYSA-N 1 0 348.418 2.698 10 10 EFCERO CC[N@@H+](Cc1c2cc(F)ccc2n(C)c1C(=O)OC)C[C@H]1CCOC1 ZINC000893952947 720181449 /nfs/dbraw/zinc/18/14/49/720181449.db2.gz XJICVIWDGADXAH-CYBMUJFWSA-N 1 0 348.418 2.962 10 10 EFCERO CCN(CC)c1ccc(CNC(=O)[C@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000178711995 720573708 /nfs/dbraw/zinc/57/37/08/720573708.db2.gz CTENQFLEYKXUEA-HXUWFJFHSA-N 1 0 337.467 2.864 10 10 EFCERO C[C@H]1[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)CCN1Cc1ccccc1 ZINC000310686538 720603163 /nfs/dbraw/zinc/60/31/63/720603163.db2.gz MMGYPXKYRUGXPR-YOEHRIQHSA-N 1 0 340.423 2.874 10 10 EFCERO COC(=O)c1c(C[NH2+]C[C@@H](O)CC(C)C)c2cc(F)ccc2n1C ZINC000894210659 721247854 /nfs/dbraw/zinc/24/78/54/721247854.db2.gz IIBYBCRAHWBOFU-ZDUSSCGKSA-N 1 0 336.407 2.601 10 10 EFCERO COC(=O)c1c(CN[C@@H]2CC[N@H+](C)[C@H](C)C2)c2cc(F)ccc2n1C ZINC000894312971 722067941 /nfs/dbraw/zinc/06/79/41/722067941.db2.gz OXQWRZBONULVNR-TZMCWYRMSA-N 1 0 347.434 2.676 10 10 EFCERO COC(=O)c1c(C[NH2+][C@H]2CCO[C@@H](C)C2)c2cc(F)ccc2n1C ZINC000894358985 722609068 /nfs/dbraw/zinc/60/90/68/722609068.db2.gz LIWRCAJZFOKFSV-AAEUAGOBSA-N 1 0 334.391 2.761 10 10 EFCERO COC(=O)c1c(C[NH2+][C@H]2CCO[C@H](C)C2)c2cc(F)ccc2n1C ZINC000894358988 722609119 /nfs/dbraw/zinc/60/91/19/722609119.db2.gz LIWRCAJZFOKFSV-YPMHNXCESA-N 1 0 334.391 2.761 10 10 EFCERO COC(=O)c1c(C[NH2+][C@@H]2CCO[C@H](C)C2)c2cc(F)ccc2n1C ZINC000894358986 722609142 /nfs/dbraw/zinc/60/91/42/722609142.db2.gz LIWRCAJZFOKFSV-DGCLKSJQSA-N 1 0 334.391 2.761 10 10 EFCERO COC(=O)c1c(C[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)c2cc(F)ccc2n1C ZINC000894421648 722731986 /nfs/dbraw/zinc/73/19/86/722731986.db2.gz FMFJSWGAGVTMTN-CHWSQXEVSA-N 1 0 348.418 2.697 10 10 EFCERO COc1cc(C)cc(C[NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)c1O ZINC000894647592 722807768 /nfs/dbraw/zinc/80/77/68/722807768.db2.gz GIRMBSZNZFDSMR-WBVHZDCISA-N 1 0 346.471 2.980 10 10 EFCERO COC(=O)c1c(C[NH2+]CC[C@@H](C)CCO)c2cc(F)ccc2n1C ZINC000894870964 722928121 /nfs/dbraw/zinc/92/81/21/722928121.db2.gz QXKKYSCFMIKKCR-GFCCVEGCSA-N 1 0 336.407 2.602 10 10 EFCERO COC[C@]1(C)CC[N@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)OC)C1 ZINC000894875150 722932731 /nfs/dbraw/zinc/93/27/31/722932731.db2.gz WFLCIGRVRWXMCS-LJQANCHMSA-N 1 0 348.418 2.962 10 10 EFCERO COC(=O)c1c(C[NH2+]C[C@H](C)CCCO)c2cc(F)ccc2n1C ZINC000894876659 722933381 /nfs/dbraw/zinc/93/33/81/722933381.db2.gz MLBFCGPHMVJLBP-GFCCVEGCSA-N 1 0 336.407 2.602 10 10 EFCERO COC(=O)c1c(C[NH2+]C[C@@H](C)CCCO)c2cc(F)ccc2n1C ZINC000894876660 722933397 /nfs/dbraw/zinc/93/33/97/722933397.db2.gz MLBFCGPHMVJLBP-LBPRGKRZSA-N 1 0 336.407 2.602 10 10 EFCERO COC(=O)c1c(C[N@@H+]2C[C@@H](C)C[C@H](CO)C2)c2cc(F)ccc2n1C ZINC000895033680 723056064 /nfs/dbraw/zinc/05/60/64/723056064.db2.gz LPTDACAGTXGGFB-STQMWFEESA-N 1 0 348.418 2.554 10 10 EFCERO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cc2cc(O)c(O)cc2s1 ZINC000896265542 723227643 /nfs/dbraw/zinc/22/76/43/723227643.db2.gz JTXUMXJGBSAXDN-GFCCVEGCSA-N 1 0 332.425 2.527 10 10 EFCERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896294231 723244614 /nfs/dbraw/zinc/24/46/14/723244614.db2.gz QWDONXNFFPNPJV-GFCCVEGCSA-N 1 0 334.441 2.917 10 10 EFCERO C[C@@H]1CC=CC[C@H]1NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000896444527 723304655 /nfs/dbraw/zinc/30/46/55/723304655.db2.gz MAERPFIOVINNKV-VQIMIIECSA-N 1 0 342.487 2.592 10 10 EFCERO C[NH+](C)CC1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000896626473 723406978 /nfs/dbraw/zinc/40/69/78/723406978.db2.gz WSLHJWCTTVCGSM-UHFFFAOYSA-N 1 0 334.441 2.726 10 10 EFCERO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896633693 723414868 /nfs/dbraw/zinc/41/48/68/723414868.db2.gz KIOPXIYKIFTQNO-CMPLNLGQSA-N 1 0 334.441 2.725 10 10 EFCERO FC(F)Oc1ccc(N2CCC([NH2+]Cc3cncnc3)CC2)cc1 ZINC000727470372 724061749 /nfs/dbraw/zinc/06/17/49/724061749.db2.gz URYNSDHDPDDLAZ-UHFFFAOYSA-N 1 0 334.370 2.837 10 10 EFCERO COC(=O)Cc1ccc(C[NH2+]Cc2cc(C)cc(OC)c2O)cc1 ZINC000895390948 724105660 /nfs/dbraw/zinc/10/56/60/724105660.db2.gz QYDBWIRBZPHVPV-UHFFFAOYSA-N 1 0 329.396 2.715 10 10 EFCERO COc1cc(C[N@@H+]2CCNC(=O)CC2(C)C)c(O)c(C(C)(C)C)c1 ZINC000895400374 724117428 /nfs/dbraw/zinc/11/74/28/724117428.db2.gz OEQKYLQYBBVOKJ-UHFFFAOYSA-N 1 0 334.460 2.799 10 10 EFCERO COC(=O)c1c(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)c2cc(F)ccc2n1C ZINC000895404380 724126368 /nfs/dbraw/zinc/12/63/68/724126368.db2.gz FJEPMSSVHQNADC-GUYCJALGSA-N 1 0 346.402 2.761 10 10 EFCERO COC(=O)c1c(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)c2cc(F)ccc2n1C ZINC000895404383 724126562 /nfs/dbraw/zinc/12/65/62/724126562.db2.gz FJEPMSSVHQNADC-SUMWQHHRSA-N 1 0 346.402 2.761 10 10 EFCERO CCC[NH+]1CCC(NC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000895522816 724183780 /nfs/dbraw/zinc/18/37/80/724183780.db2.gz WZYKADJUPREZSO-UHFFFAOYSA-N 1 0 334.441 2.917 10 10 EFCERO c1csc([C@@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC000895581427 724211863 /nfs/dbraw/zinc/21/18/63/724211863.db2.gz AGZGXEQPAQTLAP-MRXNPFEDSA-N 1 0 329.469 2.969 10 10 EFCERO C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(F)c(F)c3[O-])cc2)CC1 ZINC000895608281 724222031 /nfs/dbraw/zinc/22/20/31/724222031.db2.gz IQDBLIHFTANELJ-UHFFFAOYSA-N 1 0 347.409 2.712 10 10 EFCERO COc1c(O)c(C[NH+]2CC(CC3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000895616438 724224826 /nfs/dbraw/zinc/22/48/26/724224826.db2.gz SBYPNESRILZHDP-UHFFFAOYSA-N 1 0 336.388 2.558 10 10 EFCERO COc1cccc2c1CC[C@@]2(CO)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000895633862 724227964 /nfs/dbraw/zinc/22/79/64/724227964.db2.gz HCTWJMNYFGPSOM-FQEVSTJZSA-N 1 0 343.423 2.641 10 10 EFCERO Oc1cc(Br)ccc1C[NH+]1CCC2(CC1)COCCO2 ZINC000895696376 724267961 /nfs/dbraw/zinc/26/79/61/724267961.db2.gz BMHQWWSJSSVCNW-UHFFFAOYSA-N 1 0 342.233 2.536 10 10 EFCERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000895739490 724288668 /nfs/dbraw/zinc/28/86/68/724288668.db2.gz CQTNSCVRLNYTDN-LLVKDONJSA-N 1 0 334.441 2.917 10 10 EFCERO O=C(NC1CC[NH+](CC2CC2)CC1)c1cc2cc(O)c(O)cc2s1 ZINC000895788271 724314687 /nfs/dbraw/zinc/31/46/87/724314687.db2.gz NPAXFDNSVQOWFQ-UHFFFAOYSA-N 1 0 346.452 2.917 10 10 EFCERO CCC1([NH+]2CCC2)CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000895828021 724327231 /nfs/dbraw/zinc/32/72/31/724327231.db2.gz RQXCDAQUTDEKMO-UHFFFAOYSA-N 1 0 343.515 2.974 10 10 EFCERO CC(C)C1(C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1 ZINC000895813486 724328542 /nfs/dbraw/zinc/32/85/42/724328542.db2.gz DOPGUIFBRFLQNJ-UHFFFAOYSA-N 1 0 329.488 2.914 10 10 EFCERO C[C@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)[C@@H]1CC1(F)F ZINC000895813404 724328701 /nfs/dbraw/zinc/32/87/01/724328701.db2.gz KABDOENENFAMSU-LRDDRELGSA-N 1 0 337.414 2.522 10 10 EFCERO Cc1cc(C(=O)CN2C[C@@H]3C[NH2+]C[C@H]3C2)c(C)n1-c1ccc(F)cc1 ZINC000728914420 724884825 /nfs/dbraw/zinc/88/48/25/724884825.db2.gz SQDQKNSGYDEPJR-HOTGVXAUSA-N 1 0 341.430 2.567 10 10 EFCERO C[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C1=CC[N@H+](C)CC1 ZINC000907282346 726906981 /nfs/dbraw/zinc/90/69/81/726906981.db2.gz DOUJXZLYKVHQNH-JTQLQIEISA-N 1 0 332.425 2.693 10 10 EFCERO Cc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c(C)n1-c1ccccn1 ZINC000732166683 727000412 /nfs/dbraw/zinc/00/04/12/727000412.db2.gz RISFFOPWPDATJG-QGZVFWFLSA-N 1 0 338.455 2.798 10 10 EFCERO O=C([C@@H]1CCC[N@@H+](Cc2c(O)ccc3ccncc32)C1)N1CCCC1 ZINC000732188381 727001957 /nfs/dbraw/zinc/00/19/57/727001957.db2.gz DJOXSLWGVVLGTD-MRXNPFEDSA-N 1 0 339.439 2.775 10 10 EFCERO O=C(Nc1c(-c2ccccn2)nc2ccccn21)[C@@]12CC[N@H+](C1)CCC2 ZINC000908276292 727149090 /nfs/dbraw/zinc/14/90/90/727149090.db2.gz VOECVBOLUUPCML-FQEVSTJZSA-N 1 0 347.422 2.821 10 10 EFCERO C[NH+]1CCC2(CCC(NC(=O)/C=C\c3ccc(O)c(O)c3)CC2)CC1 ZINC000908495280 727196091 /nfs/dbraw/zinc/19/60/91/727196091.db2.gz GQJILJGETAQAKS-HYXAFXHYSA-N 1 0 344.455 2.882 10 10 EFCERO CC[NH+]1CCC(N(C)c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000733186542 727272461 /nfs/dbraw/zinc/27/24/61/727272461.db2.gz ZFIOHYCSOGPCDF-VURMDHGXSA-N 1 0 347.415 2.702 10 10 EFCERO C[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(N3CC=CC3)cc2)CC[N@@H+]1C ZINC000175227477 727611323 /nfs/dbraw/zinc/61/13/23/727611323.db2.gz AXIABHOAUQEEBO-LPHOPBHVSA-N 1 0 342.487 2.687 10 10 EFCERO Cc1nc(CN2CC[NH+](Cc3cc4c(cc3O)CCC4)CC2)oc1C ZINC000171356276 728530842 /nfs/dbraw/zinc/53/08/42/728530842.db2.gz LKFLOPGCRXFAFH-UHFFFAOYSA-N 1 0 341.455 2.804 10 10 EFCERO FC(F)Oc1ccc(N2CCC[C@H]([NH2+]Cc3cncnc3)C2)cc1 ZINC000174622235 728679046 /nfs/dbraw/zinc/67/90/46/728679046.db2.gz ZXVBONLKHXAHLP-AWEZNQCLSA-N 1 0 334.370 2.837 10 10 EFCERO CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000919657457 729064102 /nfs/dbraw/zinc/06/41/02/729064102.db2.gz MVBBIYSJFAJTLD-QGZVFWFLSA-N 1 0 332.492 2.768 10 10 EFCERO CN(C)c1cc(F)c(C[NH2+]C2(CO)Cc3ccccc3C2)cc1F ZINC000858139377 1126112767 /nfs/dbraw/zinc/11/27/67/1126112767.db2.gz SNWBSAUVKZEQBP-UHFFFAOYSA-N 1 0 332.394 2.650 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2CCCCCF)cc1 ZINC001569386446 1085167334 /nfs/dbraw/zinc/16/73/34/1085167334.db2.gz NXCHYLLBSYFKTA-HNNXBMFYSA-N 1 0 349.410 2.793 10 10 EFCERO CCCC[NH2+][C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1C ZINC001570366133 1086172492 /nfs/dbraw/zinc/17/24/92/1086172492.db2.gz QLNXUKRHPZWCJF-SWLSCSKDSA-N 1 0 331.420 2.699 10 10 EFCERO CC[C@H](C)C[NH2+]CC1CC(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001570582835 1086380408 /nfs/dbraw/zinc/38/04/08/1086380408.db2.gz XXAKLTVIOBHAIO-FUJMWEONSA-N 1 0 345.447 2.993 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2ccnc(F)c2)cc1C ZINC001570594184 1086395166 /nfs/dbraw/zinc/39/51/66/1086395166.db2.gz YKMDILXLOHVBEA-KGLIPLIRSA-N 1 0 345.418 2.834 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2ccns2)cc1C ZINC001570608848 1086404540 /nfs/dbraw/zinc/40/45/40/1086404540.db2.gz UBJCXPPQDXXEMN-STQMWFEESA-N 1 0 333.457 2.757 10 10 EFCERO COc1ccc(C[NH2+]CC2(NC(=O)[C@@H](C)OC)CCCCC2)cc1C ZINC001570793346 1086521916 /nfs/dbraw/zinc/52/19/16/1086521916.db2.gz MNJBNENBQHKFMH-MRXNPFEDSA-N 1 0 348.487 2.947 10 10 EFCERO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)c2cc(C)on2)cc1C ZINC001571220473 1086679871 /nfs/dbraw/zinc/67/98/71/1086679871.db2.gz NNEHDQUFJVUMOL-AWEZNQCLSA-N 1 0 345.443 2.988 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2cccc(C)n2)cc1C ZINC001571376956 1086769569 /nfs/dbraw/zinc/76/95/69/1086769569.db2.gz BPBVAOXEIKHNBO-MRXNPFEDSA-N 1 0 341.455 2.957 10 10 EFCERO CC(C)=CC[NH2+][C@H](C)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001571419699 1086797976 /nfs/dbraw/zinc/79/79/76/1086797976.db2.gz WFVOZSKKUKOHFE-CYBMUJFWSA-N 1 0 331.420 2.865 10 10 EFCERO CCOCCCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@H]1C ZINC001571451039 1086815295 /nfs/dbraw/zinc/81/52/95/1086815295.db2.gz NQZZXOXWTJVNBX-SJLPKXTDSA-N 1 0 348.487 2.899 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)N[C@H]2CC[C@@H](C[NH2+]CCCF)C2)cc1 ZINC001571549308 1086953292 /nfs/dbraw/zinc/95/32/92/1086953292.db2.gz ABSYMYDLGGOZDB-DOMZBBRYSA-N 1 0 349.410 2.697 10 10 EFCERO COc1ccc(C[NH2+]C2CC(N(C)C(=O)COC(C)(C)C)C2)cc1C ZINC001571656230 1087025524 /nfs/dbraw/zinc/02/55/24/1087025524.db2.gz NLDJRYQHRZHNLO-UHFFFAOYSA-N 1 0 348.487 2.898 10 10 EFCERO COc1ccc([C@H]2C[N@H+](Cc3ccc(N(C)C)cc3)CCN2)cc1 ZINC001648070605 1089937056 /nfs/dbraw/zinc/93/70/56/1089937056.db2.gz VPXGPBNOMHNCRJ-HXUWFJFHSA-N 1 0 325.456 2.908 10 10 EFCERO CN1CCCc2cc(CNC(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)ccc21 ZINC001583627678 1092051729 /nfs/dbraw/zinc/05/17/29/1092051729.db2.gz COAMNAFMLWWXKQ-ZWKOTPCHSA-N 1 0 329.488 2.806 10 10 EFCERO CC(C)[N@@H+]1CCC[C@@H](C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC001583627621 1092051926 /nfs/dbraw/zinc/05/19/26/1092051926.db2.gz AUVRKDYSVGPWJD-GOSISDBHSA-N 1 0 329.488 2.806 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)C[C@H](C)[C@@H]2CCCO2)cc1C ZINC001267014000 1092346194 /nfs/dbraw/zinc/34/61/94/1092346194.db2.gz KPXQIFSJGGXHSN-LPHOPBHVSA-N 1 0 348.487 2.757 10 10 EFCERO CC(C)CCO[C@@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001586054413 1092669109 /nfs/dbraw/zinc/66/91/09/1092669109.db2.gz ICBYVASOLXWOIW-LPHOPBHVSA-N 1 0 349.519 2.923 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@H]2CC2(F)F)cc1C ZINC001267125431 1092834150 /nfs/dbraw/zinc/83/41/50/1092834150.db2.gz HIVYAAGAICCKRU-TZMCWYRMSA-N 1 0 326.387 2.643 10 10 EFCERO Cc1ccc(C2CC[NH+](Cc3cc4c(cc3O)OC[C@H]4O)CC2)cn1 ZINC000782940446 1094505260 /nfs/dbraw/zinc/50/52/60/1094505260.db2.gz FRUIPZLVGWTAOD-LJQANCHMSA-N 1 0 340.423 2.901 10 10 EFCERO CCn1cccc1C(=O)N(C)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267470133 1094739164 /nfs/dbraw/zinc/73/91/64/1094739164.db2.gz XHCREZGMHXJEJL-UHFFFAOYSA-N 1 0 329.444 2.687 10 10 EFCERO CCc1ocnc1C(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001670760338 1094948822 /nfs/dbraw/zinc/94/88/22/1094948822.db2.gz UBEZOOWNZGKJHD-UHFFFAOYSA-N 1 0 343.427 2.606 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2coc(C)n2)cc1C ZINC001268059166 1095099937 /nfs/dbraw/zinc/09/99/37/1095099937.db2.gz LHRMLUOLVRCQDN-CYBMUJFWSA-N 1 0 331.416 2.550 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)C3(C(F)F)CC3)CC2)cc1C ZINC001670781987 1095245328 /nfs/dbraw/zinc/24/53/28/1095245328.db2.gz SBKSXDLWTTWUPR-UHFFFAOYSA-N 1 0 338.398 2.787 10 10 EFCERO CCCOCC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H](C)C1 ZINC001268131846 1095451645 /nfs/dbraw/zinc/45/16/45/1095451645.db2.gz WMQWIYSKNAARCC-WMZOPIPTSA-N 1 0 348.487 2.757 10 10 EFCERO CCCOCC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@H](C)C1 ZINC001268131843 1095452055 /nfs/dbraw/zinc/45/20/55/1095452055.db2.gz WMQWIYSKNAARCC-AEFFLSMTSA-N 1 0 348.487 2.757 10 10 EFCERO CC[N@H+](CCNC(=O)c1ccc(N=NC(N)=O)cc1)CC1CC(C)C1 ZINC001481020033 1095888372 /nfs/dbraw/zinc/88/83/72/1095888372.db2.gz JIGLJUBIIQEPAS-UHFFFAOYSA-N 1 0 345.447 2.947 10 10 EFCERO COc1ccc(C[NH2+][C@H](CNC(=O)C2CCOCC2)C(C)C)cc1C ZINC001268207269 1096099454 /nfs/dbraw/zinc/09/94/54/1096099454.db2.gz WTURQNKILMNJNM-GOSISDBHSA-N 1 0 348.487 2.661 10 10 EFCERO COc1ccc(C[NH2+][C@@H](CNC(=O)[C@@]2(C)CCOC2)C(C)C)cc1C ZINC001268223629 1096126218 /nfs/dbraw/zinc/12/62/18/1096126218.db2.gz XIVZWCYFGJCZIR-PXNSSMCTSA-N 1 0 348.487 2.661 10 10 EFCERO COc1cc(C[NH+]2CCC(Oc3cnccn3)CC2)c(O)cc1C ZINC000782888403 1096214020 /nfs/dbraw/zinc/21/40/20/1096214020.db2.gz XDORMFWNUMHNNZ-UHFFFAOYSA-N 1 0 329.400 2.543 10 10 EFCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CCCOCC2)cc1C ZINC001268359513 1096388046 /nfs/dbraw/zinc/38/80/46/1096388046.db2.gz QMPGWFFNPJSGNI-WMZOPIPTSA-N 1 0 348.487 2.805 10 10 EFCERO C[C@@H](CC[NH2+]CCC1CC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001268428365 1096586187 /nfs/dbraw/zinc/58/61/87/1096586187.db2.gz NEEWGZUOHPABQX-LBPRGKRZSA-N 1 0 331.420 2.747 10 10 EFCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)c2ccsn2)cc1C ZINC001268554937 1097183234 /nfs/dbraw/zinc/18/32/34/1097183234.db2.gz LGORABUFUGJZRS-ARJAWSKDSA-N 1 0 331.441 2.536 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2cc(C)sn2)cc1C ZINC001268685510 1097535496 /nfs/dbraw/zinc/53/54/96/1097535496.db2.gz NXUGQSRMZIRIOP-LBPRGKRZSA-N 1 0 333.457 2.677 10 10 EFCERO C[C@@H](F)CC[NH2+]CCCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001268964014 1097749060 /nfs/dbraw/zinc/74/90/60/1097749060.db2.gz DAEFFWDJHYAQAF-GFCCVEGCSA-N 1 0 337.399 2.649 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](NC(=O)c2oncc2C)C2CC2)cc1C ZINC001269134818 1097883897 /nfs/dbraw/zinc/88/38/97/1097883897.db2.gz DYOKHBGPZLDDKP-INIZCTEOSA-N 1 0 343.427 2.598 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)c2ccc(C)nc2)cc1C ZINC001482256557 1098568189 /nfs/dbraw/zinc/56/81/89/1098568189.db2.gz WVEDUVKRTKDQPL-INIZCTEOSA-N 1 0 341.455 2.957 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2ccc(C)nc2)cc1C ZINC001482256558 1098568264 /nfs/dbraw/zinc/56/82/64/1098568264.db2.gz WVEDUVKRTKDQPL-MRXNPFEDSA-N 1 0 341.455 2.957 10 10 EFCERO COc1cc([N+](=O)[O-])c(N2CCC[N@@H+](C(C)(C)C)CC2)cc1OC ZINC001611882264 1099037365 /nfs/dbraw/zinc/03/73/65/1099037365.db2.gz CIPGGATWULNINX-UHFFFAOYSA-N 1 0 337.420 2.923 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@H]2C[C@@H]2C(F)F)cc1C ZINC001270392277 1099046027 /nfs/dbraw/zinc/04/60/27/1099046027.db2.gz ATLMEZJEDFTOFW-CQDKDKBSSA-N 1 0 340.414 2.747 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2c(C)ccn2C)cc1C ZINC001267979043 1099059698 /nfs/dbraw/zinc/05/96/98/1099059698.db2.gz KAHHFQHEPSAWTK-CQSZACIVSA-N 1 0 343.471 2.806 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@@H](C)n2cccc2)cc1C ZINC001267981753 1099069745 /nfs/dbraw/zinc/06/97/45/1099069745.db2.gz QLDKSVQSRCQLJD-DOTOQJQBSA-N 1 0 343.471 2.908 10 10 EFCERO CN(C)c1ccc([C@@H](CNc2ncnc3c2CCC3)[NH+](C)C)cc1 ZINC001613042149 1099088703 /nfs/dbraw/zinc/08/87/03/1099088703.db2.gz CKLYVDCDPVVCEG-GOSISDBHSA-N 1 0 325.460 2.746 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)cc1C ZINC001268000057 1099123054 /nfs/dbraw/zinc/12/30/54/1099123054.db2.gz HTWLZWSUWPCURT-ZSGPHXLJSA-N 1 0 330.472 2.892 10 10 EFCERO CC[C@H]1C[C@H](C(=O)N(C)CC[NH2+]Cc2ccc(OC)c(C)c2)CCO1 ZINC001481302717 1099158995 /nfs/dbraw/zinc/15/89/95/1099158995.db2.gz RCZBPVNFAZEOLG-MSOLQXFVSA-N 1 0 348.487 2.757 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2ccnc(C)c2)cc1C ZINC001268008530 1099161273 /nfs/dbraw/zinc/16/12/73/1099161273.db2.gz NYZPUOBEBVXFJX-CQSZACIVSA-N 1 0 341.455 2.863 10 10 EFCERO CCCc1cc(C(=O)N(C)CC[NH2+]Cc2ccc(OC)c(C)c2)[nH]n1 ZINC001481265066 1099170855 /nfs/dbraw/zinc/17/08/55/1099170855.db2.gz YBNCXWFVLDRMDK-UHFFFAOYSA-N 1 0 344.459 2.541 10 10 EFCERO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cc2ccc(O)c(O)c2)C1 ZINC001617193818 1099226045 /nfs/dbraw/zinc/22/60/45/1099226045.db2.gz RBAIAVUXNZGJHZ-AWEZNQCLSA-N 1 0 334.460 2.657 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)C[C@@H]2CCCOC2)cc1C ZINC001270596768 1099241559 /nfs/dbraw/zinc/24/15/59/1099241559.db2.gz VEQXRZQQAXLBOE-YJBOKZPZSA-N 1 0 348.487 2.662 10 10 EFCERO CC[C@@H](CNC(=O)c1ccccn1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267793286 1099262471 /nfs/dbraw/zinc/26/24/71/1099262471.db2.gz MDWXPLNUDROHOK-INIZCTEOSA-N 1 0 327.428 2.697 10 10 EFCERO CN(C)c1ccc(CNC(=O)C[N@@H+]2C[C@@H](C3CC3)C[C@H]2C2CC2)cc1 ZINC001620630310 1099366403 /nfs/dbraw/zinc/36/64/03/1099366403.db2.gz RNEMBMBOBLKIBZ-ICSRJNTNSA-N 1 0 341.499 2.879 10 10 EFCERO COc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1OC ZINC000022772064 1099384961 /nfs/dbraw/zinc/38/49/61/1099384961.db2.gz IDPAIEDAORKJAT-UHFFFAOYSA-N 1 0 342.439 2.830 10 10 EFCERO COc1ccc(C[NH2+]CC2(NC(=O)c3ccon3)CCCC2)cc1C ZINC001267833306 1099514434 /nfs/dbraw/zinc/51/44/34/1099514434.db2.gz WEMBXNIDBRXFCK-UHFFFAOYSA-N 1 0 343.427 2.824 10 10 EFCERO CC1CC[NH+](CCCNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001623324528 1099575315 /nfs/dbraw/zinc/57/53/15/1099575315.db2.gz APTOFCZKPIEDRN-UHFFFAOYSA-N 1 0 331.420 2.701 10 10 EFCERO CC[NH+](CC)[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 ZINC001623796349 1099627649 /nfs/dbraw/zinc/62/76/49/1099627649.db2.gz TVWYZCBOLQOCLY-KRWDZBQOSA-N 1 0 342.439 2.840 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)c3cocn3)CCCC2)cc1C ZINC001268033395 1099813720 /nfs/dbraw/zinc/81/37/20/1099813720.db2.gz OFNWVUUMFDELQL-UHFFFAOYSA-N 1 0 343.427 2.824 10 10 EFCERO COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)cc1 ZINC001628469399 1100105709 /nfs/dbraw/zinc/10/57/09/1100105709.db2.gz ZEGLTYOWDRCYNC-HKUYNNGSSA-N 1 0 345.487 2.607 10 10 EFCERO CN(C)c1ccc2c(c1)OCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001628726999 1100127211 /nfs/dbraw/zinc/12/72/11/1100127211.db2.gz JJVHUKUQCUWERV-UHFFFAOYSA-N 1 0 331.460 2.743 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CC[C@H]2CCCO2)cc1C ZINC001270895717 1100147536 /nfs/dbraw/zinc/14/75/36/1100147536.db2.gz MMHIUUDKEZNVAD-SJLPKXTDSA-N 1 0 348.487 2.899 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)c2cccn2C)cc1C ZINC001270896269 1100148589 /nfs/dbraw/zinc/14/85/89/1100148589.db2.gz QBBGVQSHGHLALJ-HNNXBMFYSA-N 1 0 329.444 2.592 10 10 EFCERO O=C(CC[N@@H+]1CC[C@H](F)C1)N(Cc1ccco1)Cc1ccccc1O ZINC001629943838 1100262427 /nfs/dbraw/zinc/26/24/27/1100262427.db2.gz RDIMBJFEGYRHBA-INIZCTEOSA-N 1 0 346.402 2.948 10 10 EFCERO CC1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CC[NH+](CCF)CC1 ZINC001270925290 1100272803 /nfs/dbraw/zinc/27/28/03/1100272803.db2.gz CWXCHEABLFGXMN-UHFFFAOYSA-N 1 0 349.410 2.650 10 10 EFCERO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001633767071 1100564595 /nfs/dbraw/zinc/56/45/95/1100564595.db2.gz QKPMVUUWCGSWQS-DOTOQJQBSA-N 1 0 346.471 2.753 10 10 EFCERO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC001634386709 1100605566 /nfs/dbraw/zinc/60/55/66/1100605566.db2.gz FQTVQHLOTGKYET-KRWDZBQOSA-N 1 0 331.460 2.598 10 10 EFCERO C[N@H+](CC(=O)NCc1c(O)ccc2ccccc21)[C@H]1CCSC1 ZINC001635965207 1100690592 /nfs/dbraw/zinc/69/05/92/1100690592.db2.gz QOPPMFDUHRXQDN-AWEZNQCLSA-N 1 0 330.453 2.599 10 10 EFCERO CN(C)c1ccc([C@H](CNC(=O)c2cc(Cl)cn2C)[NH+](C)C)cc1 ZINC001637004701 1100750251 /nfs/dbraw/zinc/75/02/51/1100750251.db2.gz LZFBSTCXCWBWBJ-KRWDZBQOSA-N 1 0 348.878 2.777 10 10 EFCERO Cc1cc(C(=O)NOCC[NH+](C)C)c(C)n1-c1cccc(Cl)c1 ZINC001639133150 1100917687 /nfs/dbraw/zinc/91/76/87/1100917687.db2.gz OQXLVYGUUCVSFX-UHFFFAOYSA-N 1 0 335.835 2.971 10 10 EFCERO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1(C)C ZINC001639795995 1100984986 /nfs/dbraw/zinc/98/49/86/1100984986.db2.gz IIERWPHFVIYJBV-LSDHHAIUSA-N 1 0 334.441 2.771 10 10 EFCERO Cc1cc(CN2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)ccc1N1CCCCC1 ZINC001642802186 1101243281 /nfs/dbraw/zinc/24/32/81/1101243281.db2.gz CBXFLDOAAIHLRC-RTBURBONSA-N 1 0 345.531 2.872 10 10 EFCERO Cc1cc(CN2CC[N@@H+](C[C@H](C)O)C[C@H]2C)ccc1N1CCCCC1 ZINC001642802183 1101243839 /nfs/dbraw/zinc/24/38/39/1101243839.db2.gz CBXFLDOAAIHLRC-MOPGFXCFSA-N 1 0 345.531 2.872 10 10 EFCERO C[C@@H]([NH2+]CCF)[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001482481033 1101261217 /nfs/dbraw/zinc/26/12/17/1101261217.db2.gz IJLRPRYCLHVWGZ-TZMCWYRMSA-N 1 0 349.410 2.649 10 10 EFCERO Cc1cc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](C(N)=O)C2)ccc1N(C)C ZINC001643434357 1101297781 /nfs/dbraw/zinc/29/77/81/1101297781.db2.gz GNJKKZVDJOYASV-RBUKOAKNSA-N 1 0 337.467 2.762 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CCCO2)c1O ZINC000848512976 1101465314 /nfs/dbraw/zinc/46/53/14/1101465314.db2.gz BPSJYKNQIRCNSI-KOLCDFICSA-N 1 0 330.222 2.993 10 10 EFCERO Cc1cc(C=O)c(C)n1-c1cc(C(=O)NC[C@H]2CC[N@H+]2C)ccc1C ZINC001652329196 1101479807 /nfs/dbraw/zinc/47/98/07/1101479807.db2.gz XFQRAUVEWKHDRG-GOSISDBHSA-N 1 0 339.439 2.649 10 10 EFCERO CO[C@]1(C)C[C@@H]([N@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)C1(C)C ZINC001652571266 1101515076 /nfs/dbraw/zinc/51/50/76/1101515076.db2.gz ILBOAXDVDBIDIP-YLJYHZDGSA-N 1 0 347.503 2.504 10 10 EFCERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](C)c2ccccc2O)c1 ZINC001654532212 1101729877 /nfs/dbraw/zinc/72/98/77/1101729877.db2.gz KKXNZOHFOBZAFX-NSHDSACASA-N 1 0 330.340 2.938 10 10 EFCERO COc1ccc(N2CC[NH+](CC3(O)CCCCC3)CC2)c(OC)c1 ZINC001654564909 1101733807 /nfs/dbraw/zinc/73/38/07/1101733807.db2.gz TVMGHPOBYREKBD-UHFFFAOYSA-N 1 0 334.460 2.521 10 10 EFCERO COC1CCN(c2ccc(C[N@H+]3C[C@@H]4[C@H](O)CC[C@@H]4C3)cc2)CC1 ZINC001654774440 1101756557 /nfs/dbraw/zinc/75/65/57/1101756557.db2.gz JCJSHLBPFZDPQF-LSTHTHJFSA-N 1 0 330.472 2.505 10 10 EFCERO CN1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1C(C)(C)C ZINC001654907574 1101769974 /nfs/dbraw/zinc/76/99/74/1101769974.db2.gz UOZOLLHCNYNKPI-IBGZPJMESA-N 1 0 331.504 2.685 10 10 EFCERO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](C)c1ccccc1O ZINC001655347499 1101813074 /nfs/dbraw/zinc/81/30/74/1101813074.db2.gz ZBFABKDPMYRJDY-GFCCVEGCSA-N 1 0 329.356 2.898 10 10 EFCERO CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](C[NH2+]Cc1ccccc1O)O2 ZINC000690697393 1101961386 /nfs/dbraw/zinc/96/13/86/1101961386.db2.gz UTSCUSPDFJUIFA-OAHLLOKOSA-N 1 0 348.443 2.650 10 10 EFCERO CCO[C@H](C)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001656266124 1102021038 /nfs/dbraw/zinc/02/10/38/1102021038.db2.gz SXBZZAMJQXRRIC-BPQIPLTHSA-N 1 0 348.487 2.803 10 10 EFCERO c1csc(SCCC[NH2+]Cc2cn(-c3ccccc3)nn2)n1 ZINC001656574816 1102124440 /nfs/dbraw/zinc/12/44/40/1102124440.db2.gz PEWUSOWOAKJTMH-UHFFFAOYSA-N 1 0 331.470 2.996 10 10 EFCERO O=C(OCc1ccccc1)N1CC([NH2+]Cc2cccc(F)c2[O-])C1 ZINC000397362936 1102192303 /nfs/dbraw/zinc/19/23/03/1102192303.db2.gz YFOWKNVFRSRCOZ-UHFFFAOYSA-N 1 0 330.359 2.642 10 10 EFCERO CC(C)C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001266825399 1102369916 /nfs/dbraw/zinc/36/99/16/1102369916.db2.gz DVHDQZQZMLZXBT-AWEZNQCLSA-N 1 0 345.447 2.947 10 10 EFCERO COc1ccc(C[NH2+][C@H](CNC(=O)c2ncoc2C)C(C)C)cc1C ZINC001482518638 1102540281 /nfs/dbraw/zinc/54/02/81/1102540281.db2.gz SGWRHFJZKQOALQ-MRXNPFEDSA-N 1 0 345.443 2.844 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](NC(=O)c2ccc[nH]2)C2CC2)cc1C ZINC001670443048 1102630942 /nfs/dbraw/zinc/63/09/42/1102630942.db2.gz HKEMCMFCYCWONZ-KRWDZBQOSA-N 1 0 327.428 2.630 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)Cc2ccc(C)o2)cc1C ZINC001266933132 1102724038 /nfs/dbraw/zinc/72/40/38/1102724038.db2.gz KONUVIDKGPBITD-AWEZNQCLSA-N 1 0 330.428 2.742 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)CCc2ccncc2)cc1C ZINC001266948204 1102754976 /nfs/dbraw/zinc/75/49/76/1102754976.db2.gz HHMOMFWDPVIBBO-MRXNPFEDSA-N 1 0 341.455 2.626 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2cc(Cl)cn2C)cc1C ZINC001266957552 1102776804 /nfs/dbraw/zinc/77/68/04/1102776804.db2.gz YNTVGTISTMFFOG-ZDUSSCGKSA-N 1 0 349.862 2.904 10 10 EFCERO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](c3cn(C)nn3)C2)c1O ZINC001660591848 1102869909 /nfs/dbraw/zinc/86/99/09/1102869909.db2.gz KLWYXKRFVJGMMK-LBPRGKRZSA-N 1 0 348.834 2.756 10 10 EFCERO COc1ccc(C[NH2+][C@@H](CNC(=O)[C@H]2CCCCO2)C2CC2)cc1C ZINC001661122876 1103140088 /nfs/dbraw/zinc/14/00/88/1103140088.db2.gz YDRRCMVPDVEHCM-PKOBYXMFSA-N 1 0 346.471 2.557 10 10 EFCERO c1ccc(CN2CCO[C@@H](C[NH2+]Cc3ccc4c(c3)CCO4)C2)cc1 ZINC000077324594 1103199147 /nfs/dbraw/zinc/19/91/47/1103199147.db2.gz FDEVEUZQZHONPK-FQEVSTJZSA-N 1 0 338.451 2.612 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2cc(C)n(C)c2C)cc1C ZINC001483292806 1103272484 /nfs/dbraw/zinc/27/24/84/1103272484.db2.gz ZOBLBOPYQJNHHV-AWEZNQCLSA-N 1 0 343.471 2.867 10 10 EFCERO C[C@@]1([C@@H]2CCC[N@H+](Cc3c(O)ccc4ccncc43)C2)COC(=O)N1 ZINC000905706000 1103517967 /nfs/dbraw/zinc/51/79/67/1103517967.db2.gz DMAIHIMHFMDFSO-KUHUBIRLSA-N 1 0 341.411 2.651 10 10 EFCERO C[C@@]1(C2CC[NH+](Cc3cc4c(cc3O)CCCC4)CC2)COC(=O)N1 ZINC000905710818 1103524438 /nfs/dbraw/zinc/52/44/38/1103524438.db2.gz OBQVZTFRFNCTBB-FQEVSTJZSA-N 1 0 344.455 2.982 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)CCc2nccs2)cc1C ZINC001662421044 1103692445 /nfs/dbraw/zinc/69/24/45/1103692445.db2.gz XBGGBTKRWZDISH-AWEZNQCLSA-N 1 0 347.484 2.687 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2cc(C)no2)cc1C ZINC001662887474 1103886328 /nfs/dbraw/zinc/88/63/28/1103886328.db2.gz HPLOJBKTFKDNDP-CYBMUJFWSA-N 1 0 331.416 2.598 10 10 EFCERO C[N@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)CC1(CO)CC1 ZINC000783732427 1104063767 /nfs/dbraw/zinc/06/37/67/1104063767.db2.gz DQQZWLUCNJEANY-UHFFFAOYSA-N 1 0 333.432 2.789 10 10 EFCERO CCC[C@@H]1CN(Cc2ccc(N(C)C)c(C)c2)CC[N@@H+]1CCOC ZINC001168252930 1104601638 /nfs/dbraw/zinc/60/16/38/1104601638.db2.gz VADAHRCTRGPMLP-LJQANCHMSA-N 1 0 333.520 2.994 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@H]3C[C@H]4C[C@H]4C3)CC2)cc1C ZINC001670843013 1104652219 /nfs/dbraw/zinc/65/22/19/1104652219.db2.gz PFGFLMBELILHGT-FVQHAEBGSA-N 1 0 328.456 2.788 10 10 EFCERO CCc1cc(C(=O)NC[C@@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)no1 ZINC001666651931 1104975910 /nfs/dbraw/zinc/97/59/10/1104975910.db2.gz KOCQNXBGFBGDHD-ZDUSSCGKSA-N 1 0 345.443 2.710 10 10 EFCERO COc1ccc(C[NH2+][C@@H](CNC(=O)[C@@H]2CC2(F)F)C(C)C)cc1C ZINC001667452883 1105149382 /nfs/dbraw/zinc/14/93/82/1105149382.db2.gz OCSNQSMKGOEDMY-GJZGRUSLSA-N 1 0 340.414 2.889 10 10 EFCERO COc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)OC(C)(C)C)c(O)c1 ZINC000093757862 1105223421 /nfs/dbraw/zinc/22/34/21/1105223421.db2.gz GVGFOUHDWFBXQB-AWEZNQCLSA-N 1 0 336.432 2.890 10 10 EFCERO C[C@H](CC[NH2+]C/C=C\Cl)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001668325221 1105282088 /nfs/dbraw/zinc/28/20/88/1105282088.db2.gz HRSMSFUEKXMACU-SYRCLFQESA-N 1 0 337.811 2.700 10 10 EFCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)c2csnc2C)cc1C ZINC001668785480 1105370672 /nfs/dbraw/zinc/37/06/72/1105370672.db2.gz BXBRDCABMALKFY-PLNGDYQASA-N 1 0 345.468 2.844 10 10 EFCERO CC[C@@H]1CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc2ccc(OC)c(C)c2)O1 ZINC001483015177 1105556325 /nfs/dbraw/zinc/55/63/25/1105556325.db2.gz FYMRXZAKUNOOLL-ZHHRLCKPSA-N 1 0 346.471 2.723 10 10 EFCERO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000897570691 1105757631 /nfs/dbraw/zinc/75/76/31/1105757631.db2.gz ZHWZHZNGCBOKTQ-GFCCVEGCSA-N 1 0 334.441 2.869 10 10 EFCERO C[C@H]1CC[C@H](CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001672371715 1105814970 /nfs/dbraw/zinc/81/49/70/1105814970.db2.gz YJWMIDYFDBOYCU-WMZOPIPTSA-N 1 0 344.503 2.674 10 10 EFCERO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1ccc(N2CCCCC2)cc1 ZINC000841892459 1105853654 /nfs/dbraw/zinc/85/36/54/1105853654.db2.gz ZERWVGBRZFCWOO-ZWKOTPCHSA-N 1 0 331.504 2.564 10 10 EFCERO COCCC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001673083688 1105971383 /nfs/dbraw/zinc/97/13/83/1105971383.db2.gz OGTVDDWDCQTHJL-QGZVFWFLSA-N 1 0 334.460 2.511 10 10 EFCERO CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001673745482 1106081053 /nfs/dbraw/zinc/08/10/53/1106081053.db2.gz UYEJMSINGXLLDJ-APWZRJJASA-N 1 0 346.519 2.776 10 10 EFCERO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cc4cc(O)c(O)cc4s3)C2)C1 ZINC000897851709 1106118772 /nfs/dbraw/zinc/11/87/72/1106118772.db2.gz DMZALXJKQXJTNJ-GOSISDBHSA-N 1 0 346.452 2.870 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2cccn2C)cc1C ZINC001674168205 1106154792 /nfs/dbraw/zinc/15/47/92/1106154792.db2.gz MDEAHPNWOMCVOA-HNNXBMFYSA-N 1 0 329.444 2.640 10 10 EFCERO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC000897984443 1106185871 /nfs/dbraw/zinc/18/58/71/1106185871.db2.gz XYOMPPKULVLOHQ-JXFKEZNVSA-N 1 0 329.488 2.594 10 10 EFCERO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)c2cnns2)cc1C ZINC001675857990 1106432286 /nfs/dbraw/zinc/43/22/86/1106432286.db2.gz SJOTZFJYWQPTPK-ZDUSSCGKSA-N 1 0 348.472 2.543 10 10 EFCERO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)c2cnns2)cc1C ZINC001675857989 1106432630 /nfs/dbraw/zinc/43/26/30/1106432630.db2.gz SJOTZFJYWQPTPK-CYBMUJFWSA-N 1 0 348.472 2.543 10 10 EFCERO C[C@H]([NH2+]Cc1cccc(N(C)C)n1)c1ccc(N2CCOCC2)cc1 ZINC000090850746 1106515707 /nfs/dbraw/zinc/51/57/07/1106515707.db2.gz STXLQEDTQNOZIL-INIZCTEOSA-N 1 0 340.471 2.835 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2coc(C)n2)cc1C ZINC001676337201 1106516521 /nfs/dbraw/zinc/51/65/21/1106516521.db2.gz UYBAHQGCAPFFIY-CYBMUJFWSA-N 1 0 331.416 2.550 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2conc2C)cc1C ZINC001676414305 1106527346 /nfs/dbraw/zinc/52/73/46/1106527346.db2.gz YZLXCWRJUJYFNM-CYBMUJFWSA-N 1 0 331.416 2.550 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2oncc2C)cc1C ZINC001676456000 1106531142 /nfs/dbraw/zinc/53/11/42/1106531142.db2.gz YTPZBWHSTQXBEV-AWEZNQCLSA-N 1 0 331.416 2.550 10 10 EFCERO COCCCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H]1C ZINC001676627980 1106547312 /nfs/dbraw/zinc/54/73/12/1106547312.db2.gz OIKCWEQOXCBJBO-DOTOQJQBSA-N 1 0 334.460 2.509 10 10 EFCERO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000925328815 1107414161 /nfs/dbraw/zinc/41/41/61/1107414161.db2.gz LEMFFWNAJOUYBN-MAUKXSAKSA-N 1 0 332.492 2.765 10 10 EFCERO CCO[C@H](C[NH2+][C@@H](C)c1ccc(Br)cc1O)CN(C)C ZINC000926957415 1108266330 /nfs/dbraw/zinc/26/63/30/1108266330.db2.gz BHSAHTGCRIDXNY-WCQYABFASA-N 1 0 345.281 2.772 10 10 EFCERO CC[C@H]([NH2+]CC[C@@H]1CNC(=O)C1)c1ccc(C(F)(F)F)cc1O ZINC000926981973 1108422303 /nfs/dbraw/zinc/42/23/03/1108422303.db2.gz ZFLVGXBSIJZCGT-GWCFXTLKSA-N 1 0 330.350 2.978 10 10 EFCERO CC[C@@H]([NH2+]C[C@H](O)c1ccnn1C)c1ccc(C(F)(F)F)cc1O ZINC000927132222 1108949391 /nfs/dbraw/zinc/94/93/91/1108949391.db2.gz UCRWORPVPKJUJT-DOMZBBRYSA-N 1 0 343.349 2.919 10 10 EFCERO CCN(C(=O)c1cc2cc(O)c(O)cc2s1)[C@@H]1CC[N@H+](CC)C1 ZINC000898674289 1109051393 /nfs/dbraw/zinc/05/13/93/1109051393.db2.gz DMPCHLICXRLVGX-GFCCVEGCSA-N 1 0 334.441 2.869 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCC2(F)F)cc1C ZINC001483140772 1109623409 /nfs/dbraw/zinc/62/34/09/1109623409.db2.gz JIBSZLLOTUBSDL-TZMCWYRMSA-N 1 0 326.387 2.643 10 10 EFCERO CCO[C@@H](CC)C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001483925810 1112564266 /nfs/dbraw/zinc/56/42/66/1112564266.db2.gz WGLMTBCLPRKKOX-ROUUACIJSA-N 1 0 348.487 2.899 10 10 EFCERO CC[N@@H+]1CCC[C@](C)(CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001484173359 1112866280 /nfs/dbraw/zinc/86/62/80/1112866280.db2.gz FOSIUYBRJXYIEO-QGZVFWFLSA-N 1 0 331.420 2.701 10 10 EFCERO CCCOCC(=O)N1CCC(C)([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001484912916 1117826532 /nfs/dbraw/zinc/82/65/32/1117826532.db2.gz WTWZXOMQVOOMJI-UHFFFAOYSA-N 1 0 348.487 2.901 10 10 EFCERO CCn1cc(C(=O)N[C@@H](C)CC[NH2+]Cc2ccc(OC)c(C)c2)cn1 ZINC001272695497 1117973019 /nfs/dbraw/zinc/97/30/19/1117973019.db2.gz MQDFOFSSCFSNKG-HNNXBMFYSA-N 1 0 344.459 2.518 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)CC(F)(F)F)cc1C ZINC001485128057 1118073927 /nfs/dbraw/zinc/07/39/27/1118073927.db2.gz NQKBQPKHEFXZGQ-NEPJUHHUSA-N 1 0 332.366 2.939 10 10 EFCERO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H](OC)C(C)C)C2)cc1C ZINC001485695246 1118534107 /nfs/dbraw/zinc/53/41/07/1118534107.db2.gz IGIMWRVITZMFTF-ZHALLVOQSA-N 1 0 348.487 2.659 10 10 EFCERO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)c2cocn2)cc1C ZINC001485714945 1118537716 /nfs/dbraw/zinc/53/77/16/1118537716.db2.gz PUFBXTNFTNQFGI-CQSZACIVSA-N 1 0 331.416 2.680 10 10 EFCERO COc1ccc2ccc(O)c(C[N@@H+]3CCO[C@@]4(CCOC4)C3)c2c1 ZINC000184290307 1118992752 /nfs/dbraw/zinc/99/27/52/1118992752.db2.gz ADNZDTHHEKVAEG-IBGZPJMESA-N 1 0 329.396 2.545 10 10 EFCERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](CC)c1ccc(N(C)C)cc1)CC2 ZINC000180621720 529751569 /nfs/dbraw/zinc/75/15/69/529751569.db2.gz DBJJOVWKUCQYFP-WBVHZDCISA-N 1 0 327.476 2.962 10 10 EFCERO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000066972235 215099636 /nfs/dbraw/zinc/09/96/36/215099636.db2.gz YGPDLUXYKZGNBV-QGZVFWFLSA-N 1 0 344.434 2.563 10 10 EFCERO Oc1ccc(Br)cc1C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000105493122 238865000 /nfs/dbraw/zinc/86/50/00/238865000.db2.gz PIOXLYFWPNFBLA-HNNXBMFYSA-N 1 0 336.229 2.848 10 10 EFCERO COc1cc(O)c(C[NH+]2CCN(c3ccccc3)CC2)cc1OC ZINC000158822466 239014814 /nfs/dbraw/zinc/01/48/14/239014814.db2.gz XWLFNJCTZKCHFO-UHFFFAOYSA-N 1 0 328.412 2.732 10 10 EFCERO CCOc1cccc(C[NH2+]CCCS(=O)(=O)c2ccccc2)c1O ZINC000075126689 216567981 /nfs/dbraw/zinc/56/79/81/216567981.db2.gz BACCPDJZASFMAC-UHFFFAOYSA-N 1 0 349.452 2.745 10 10 EFCERO COc1ccc(O)c([C@H](C)[NH2+]C2CCN(c3ncccn3)CC2)c1 ZINC000192711709 240061420 /nfs/dbraw/zinc/06/14/20/240061420.db2.gz QDEDUYCXZMCAFT-ZDUSSCGKSA-N 1 0 328.416 2.510 10 10 EFCERO C[C@@H]([NH2+]C1CCN(c2ncccn2)CC1)c1ccc(N(C)C)cc1 ZINC000192972829 240075972 /nfs/dbraw/zinc/07/59/72/240075972.db2.gz XDOHPOJNOQBPLC-OAHLLOKOSA-N 1 0 325.460 2.862 10 10 EFCERO C[C@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1N1CCOCC1 ZINC000245771577 240262291 /nfs/dbraw/zinc/26/22/91/240262291.db2.gz RXIYIIJCMYBIGV-XHDPSFHLSA-N 1 0 345.270 2.852 10 10 EFCERO C[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1n1ccnc1 ZINC000246451388 240268791 /nfs/dbraw/zinc/26/87/91/240268791.db2.gz NSCIIRCTHBIUFG-FXAWDEMLSA-N 1 0 340.471 2.803 10 10 EFCERO C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1n1ccnc1 ZINC000246451398 240268986 /nfs/dbraw/zinc/26/89/86/240268986.db2.gz NSCIIRCTHBIUFG-YLJYHZDGSA-N 1 0 340.471 2.803 10 10 EFCERO C[C@H]([NH2+]C[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1ccccc1O ZINC000248383681 240288937 /nfs/dbraw/zinc/28/89/37/240288937.db2.gz AXSHFHJWRGMSMM-CGTJXYLNSA-N 1 0 326.440 2.678 10 10 EFCERO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c(O)c1O ZINC000248415192 240289994 /nfs/dbraw/zinc/28/99/94/240289994.db2.gz NUCNHRZYXACVJQ-HOTGVXAUSA-N 1 0 326.396 2.581 10 10 EFCERO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1cc(F)cc(C(C)=O)c1O ZINC000248806901 240296308 /nfs/dbraw/zinc/29/63/08/240296308.db2.gz GYVIZCKLAPHNDM-XFJVYGCCSA-N 1 0 335.375 2.507 10 10 EFCERO CC1(C)[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)[C@H]2CCCO[C@H]21 ZINC000266188728 240473594 /nfs/dbraw/zinc/47/35/94/240473594.db2.gz XRQSHYXTKCIDHU-GUDVDZBRSA-N 1 0 330.472 2.816 10 10 EFCERO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(N3CCOCC3)n2)c(O)c1 ZINC000274727900 240732113 /nfs/dbraw/zinc/73/21/13/240732113.db2.gz BBLLAJDEZFQVMM-OAHLLOKOSA-N 1 0 327.428 2.783 10 10 EFCERO O=C1[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)CCN1Cc1ccc(F)cc1 ZINC000296270279 241081913 /nfs/dbraw/zinc/08/19/13/241081913.db2.gz CCROCXAULCWWJY-IRXDYDNUSA-N 1 0 340.398 2.909 10 10 EFCERO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)NCc1ccccc1O ZINC000299493470 241178155 /nfs/dbraw/zinc/17/81/55/241178155.db2.gz KCPPBRCPOSZFRG-UHFFFAOYSA-N 1 0 339.439 2.987 10 10 EFCERO CC[NH+]1CCN(c2ccc(CNC(=O)N3C[C@H](C)[C@H]3C)cc2F)CC1 ZINC000297545536 241125323 /nfs/dbraw/zinc/12/53/23/241125323.db2.gz FICMASRHHOXDQW-LSDHHAIUSA-N 1 0 348.466 2.517 10 10 EFCERO Cc1ccnc(C2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)n1 ZINC000363877239 242284670 /nfs/dbraw/zinc/28/46/70/242284670.db2.gz VCXBTPNUMAUFFS-UHFFFAOYSA-N 1 0 327.384 2.599 10 10 EFCERO Fc1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)CO2 ZINC000367450502 242379969 /nfs/dbraw/zinc/37/99/69/242379969.db2.gz JGJPMMNKYYMASI-SFHVURJKSA-N 1 0 342.414 2.756 10 10 EFCERO COc1ccc(/C=C2\SC(=S)N(CCC[NH+](C)C)C2=O)cc1 ZINC000012878810 258055660 /nfs/dbraw/zinc/05/56/60/258055660.db2.gz RJMNIBLBJGEZON-KAMYIIQDSA-N 1 0 336.482 2.848 10 10 EFCERO Cc1noc(C)c1C(=O)N[C@@H](C)c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000055711215 258060969 /nfs/dbraw/zinc/06/09/69/258060969.db2.gz ILQYCZFSBLFVDY-ZDUSSCGKSA-N 1 0 342.443 2.534 10 10 EFCERO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]Cc3cccs3)cc2)C1 ZINC000054179191 132190194 /nfs/dbraw/zinc/19/01/94/132190194.db2.gz XDSIQOFXRXIUGH-OAHLLOKOSA-N 1 0 329.469 2.740 10 10 EFCERO C[C@H]([NH2+]C[C@H](O)CN1CCc2ccccc2C1)c1cc(F)ccc1O ZINC000184992408 473294525 /nfs/dbraw/zinc/29/45/25/473294525.db2.gz HBVGQGUEKZVTIW-KSSFIOAISA-N 1 0 344.430 2.601 10 10 EFCERO C[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1cc(Cl)ccc1O ZINC000185025309 473304129 /nfs/dbraw/zinc/30/41/29/473304129.db2.gz KDOFDABXIGAISC-NSHDSACASA-N 1 0 329.791 2.872 10 10 EFCERO CC[N@H+](CC(=O)NCc1ccccc1)Cc1ccc(N(C)C)cc1 ZINC000012554760 471781588 /nfs/dbraw/zinc/78/15/88/471781588.db2.gz FTGXODSBRQZCSB-UHFFFAOYSA-N 1 0 325.456 2.891 10 10 EFCERO CCC[N@H+](CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)Cc1ccccc1O ZINC000068973623 472273543 /nfs/dbraw/zinc/27/35/43/472273543.db2.gz OFKGTMGHACXOSU-PKOBYXMFSA-N 1 0 346.471 2.774 10 10 EFCERO Cc1cnn([C@@H](C)[C@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000069459646 472349875 /nfs/dbraw/zinc/34/98/75/472349875.db2.gz IIONPCPZRZFWPS-HOTGVXAUSA-N 1 0 346.450 2.907 10 10 EFCERO Cn1c(Nc2c3ccccc3[nH+]c3ccccc32)cc(=O)n(C)c1=O ZINC000032286899 472421970 /nfs/dbraw/zinc/42/19/70/472421970.db2.gz KLAFGAVGEXBQJP-UHFFFAOYSA-N 1 0 332.363 2.529 10 10 EFCERO Cc1nc2n(n1)C[C@H]([NH2+]Cc1ccc(N3CCCCC3)cc1)CC2 ZINC000069772779 472425026 /nfs/dbraw/zinc/42/50/26/472425026.db2.gz HUHDWVLRYJQBSY-QGZVFWFLSA-N 1 0 325.460 2.681 10 10 EFCERO Cn1cc([C@@H]2CC[N@H+](Cc3cc(Br)ccc3O)C2)cn1 ZINC000128350641 472439547 /nfs/dbraw/zinc/43/95/47/472439547.db2.gz VXLHEAGYYLEQBA-LLVKDONJSA-N 1 0 336.233 2.878 10 10 EFCERO CCOc1ccc(O)c(C[NH2+][C@@H](CS(C)(=O)=O)c2ccccc2)c1 ZINC000154995597 472494653 /nfs/dbraw/zinc/49/46/53/472494653.db2.gz ASEWJHHYDSDJOP-KRWDZBQOSA-N 1 0 349.452 2.666 10 10 EFCERO C[C@@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1ccc(N(C)C)cc1 ZINC000089732812 472494839 /nfs/dbraw/zinc/49/48/39/472494839.db2.gz FTQLNZSOBLYKCU-WBVHZDCISA-N 1 0 325.460 2.862 10 10 EFCERO CS(=O)(=O)CCC[N@H+](Cc1ccccc1O)C1CCCCC1 ZINC000072281951 472647502 /nfs/dbraw/zinc/64/75/02/472647502.db2.gz AORCYOQMMLDBLI-UHFFFAOYSA-N 1 0 325.474 2.962 10 10 EFCERO CCOc1ccc(O)c(C[N@H+](C)C[C@H]2CCCN2c2cccnn2)c1 ZINC000120404105 472682729 /nfs/dbraw/zinc/68/27/29/472682729.db2.gz XNGOLCAUGXRGLF-MRXNPFEDSA-N 1 0 342.443 2.682 10 10 EFCERO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000105320529 472744377 /nfs/dbraw/zinc/74/43/77/472744377.db2.gz VHTQJGLSTXMDFG-INIZCTEOSA-N 1 0 326.444 2.561 10 10 EFCERO CC[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1cc(Br)ccc1O ZINC000091667353 472790961 /nfs/dbraw/zinc/79/09/61/472790961.db2.gz ZXYWUOBDDPTPRL-JSGCOSHPSA-N 1 0 343.265 2.526 10 10 EFCERO CC(C)c1nn(C)cc1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000048748799 472907263 /nfs/dbraw/zinc/90/72/63/472907263.db2.gz QKVQZVJGVXIDOT-UHFFFAOYSA-N 1 0 346.450 2.809 10 10 EFCERO CCOc1ccc(O)c(C[N@@H+]2CCCN(c3nccs3)CC2)c1 ZINC000092482997 472921756 /nfs/dbraw/zinc/92/17/56/472921756.db2.gz AULJRPUIFDIQSB-UHFFFAOYSA-N 1 0 333.457 2.960 10 10 EFCERO CCOc1cccc(C[N@@H+]2CCC[C@@H](Cn3nc(C)nc3C)C2)c1O ZINC000121950979 472951660 /nfs/dbraw/zinc/95/16/60/472951660.db2.gz CHMYNFOOLQPZCK-MRXNPFEDSA-N 1 0 344.459 2.911 10 10 EFCERO c1cc(N2CCOCC2)ccc1CN1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000092785653 472984676 /nfs/dbraw/zinc/98/46/76/472984676.db2.gz JKUFOZQWJMTXGJ-NRFANRHFSA-N 1 0 343.515 2.974 10 10 EFCERO CCn1nccc1N1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2O)C1=O ZINC000191640987 473563561 /nfs/dbraw/zinc/56/35/61/473563561.db2.gz QEKSKIIQIXGRDS-AWEZNQCLSA-N 1 0 348.834 2.547 10 10 EFCERO CCn1nccc1N1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2O)C1=O ZINC000191641001 473563804 /nfs/dbraw/zinc/56/38/04/473563804.db2.gz QEKSKIIQIXGRDS-CQSZACIVSA-N 1 0 348.834 2.547 10 10 EFCERO CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)C1 ZINC000186110023 473593727 /nfs/dbraw/zinc/59/37/27/473593727.db2.gz GUEPHLZWTXWGPB-BBRMVZONSA-N 1 0 331.460 2.725 10 10 EFCERO Cc1ccc(O)c(C[N@@H+]2CCc3c(cccc3NS(C)(=O)=O)C2)c1 ZINC000179420037 473685994 /nfs/dbraw/zinc/68/59/94/473685994.db2.gz OGCQVPDPRUBKGX-UHFFFAOYSA-N 1 0 346.452 2.630 10 10 EFCERO Cc1cc(Cl)cc(CN2CCN(CC[NH+]3CCCC3)CC2)c1O ZINC000179599087 473697607 /nfs/dbraw/zinc/69/76/07/473697607.db2.gz POXZNNQSWDTHDV-UHFFFAOYSA-N 1 0 337.895 2.567 10 10 EFCERO Cc1cc(Cl)cc(C[N@@H+](C)C[C@H](O)COCCOC(C)C)c1O ZINC000179847055 473741161 /nfs/dbraw/zinc/74/11/61/473741161.db2.gz PCBSTWRJFWFEPU-INIZCTEOSA-N 1 0 345.867 2.588 10 10 EFCERO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc(O)c1O ZINC000186796797 473758388 /nfs/dbraw/zinc/75/83/88/473758388.db2.gz QQHQNEIGBJIZGX-UHFFFAOYSA-N 1 0 326.396 2.624 10 10 EFCERO COc1ccc(O)c(C[N@H+](C)[C@H]2CCN(c3ccccc3)C2=O)c1 ZINC000180065298 473788304 /nfs/dbraw/zinc/78/83/04/473788304.db2.gz RLAKZXYFPRVJIM-KRWDZBQOSA-N 1 0 326.396 2.638 10 10 EFCERO COc1ccc(O)c(C[N@H+](C)[C@@H]2CCN(c3ccccc3)C2=O)c1 ZINC000180065286 473788347 /nfs/dbraw/zinc/78/83/47/473788347.db2.gz RLAKZXYFPRVJIM-QGZVFWFLSA-N 1 0 326.396 2.638 10 10 EFCERO Cc1occc1C(=O)NC1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000180063756 473788604 /nfs/dbraw/zinc/78/86/04/473788604.db2.gz LARQZSKJXBQMER-UHFFFAOYSA-N 1 0 332.375 2.827 10 10 EFCERO CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)c1cc(Br)ccc1O ZINC000282498909 474088752 /nfs/dbraw/zinc/08/87/52/474088752.db2.gz XZGTXJNACIAYHV-JIMOISOXSA-N 1 0 341.249 2.863 10 10 EFCERO Oc1cccc(Cl)c1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000282587859 474121078 /nfs/dbraw/zinc/12/10/78/474121078.db2.gz BXKYRSMHUYHRIK-LRDDRELGSA-N 1 0 325.836 2.703 10 10 EFCERO CCOc1ccc(O)c(C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)c1 ZINC000265227154 474170389 /nfs/dbraw/zinc/17/03/89/474170389.db2.gz ICVVDEZTYARCSB-INIZCTEOSA-N 1 0 340.423 2.965 10 10 EFCERO COc1cc(O)c(C[NH2+][C@H]2CCCc3[nH]c(=O)ccc32)cc1OC ZINC000289668780 474371589 /nfs/dbraw/zinc/37/15/89/474371589.db2.gz DJDBJIMOGJPAKE-ZDUSSCGKSA-N 1 0 330.384 2.677 10 10 EFCERO C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O)c1ccc(N(C)C)cc1 ZINC000283457504 474409130 /nfs/dbraw/zinc/40/91/30/474409130.db2.gz VDNMBGBLHUMQQE-IEZWGBDMSA-N 1 0 332.488 2.971 10 10 EFCERO CCOC(=O)c1csc(CC[NH2+]Cc2ccc(OC)c(C)c2)n1 ZINC000276083697 474411697 /nfs/dbraw/zinc/41/16/97/474411697.db2.gz GTBQKFOQWWYVHE-UHFFFAOYSA-N 1 0 334.441 2.969 10 10 EFCERO CC1(C)[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)[C@@H]2CCCO[C@@H]21 ZINC000266188736 474424831 /nfs/dbraw/zinc/42/48/31/474424831.db2.gz XRQSHYXTKCIDHU-OTWHNJEPSA-N 1 0 330.472 2.816 10 10 EFCERO CC(=O)c1cc(F)cc(C[N@@H+]2CCCN(c3ccccn3)CC2)c1O ZINC000183804998 474432059 /nfs/dbraw/zinc/43/20/59/474432059.db2.gz LQIAJUHTEJKAKO-UHFFFAOYSA-N 1 0 343.402 2.841 10 10 EFCERO CN(C)c1ccc(C[NH+]2CCN(c3cc(C4CC4)[nH]n3)CC2)cc1 ZINC000189909634 474503420 /nfs/dbraw/zinc/50/34/20/474503420.db2.gz ZKXIDSXHTTYWHC-UHFFFAOYSA-N 1 0 325.460 2.675 10 10 EFCERO Oc1cc2c(cc1C[NH+]1CCC(Nc3nccs3)CC1)OCO2 ZINC000189952809 474517854 /nfs/dbraw/zinc/51/78/54/474517854.db2.gz BXNSXHCDVXVRNL-UHFFFAOYSA-N 1 0 333.413 2.654 10 10 EFCERO CCOC(=O)c1csc(CC[NH2+]Cc2cc(C)c(C)cc2O)n1 ZINC000190345647 474582620 /nfs/dbraw/zinc/58/26/20/474582620.db2.gz FNCGLXMPJYICPR-UHFFFAOYSA-N 1 0 334.441 2.975 10 10 EFCERO COc1c(O)c(CN2CCCC[C@@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000278209931 474604023 /nfs/dbraw/zinc/60/40/23/474604023.db2.gz KCYRROUZURUXDF-OAHLLOKOSA-N 1 0 349.431 2.759 10 10 EFCERO CCOc1cccc(C[N@@H+]2CCCN(c3ccccn3)CC2)c1O ZINC000184806697 474611580 /nfs/dbraw/zinc/61/15/80/474611580.db2.gz WSACHGKCEUCSFR-UHFFFAOYSA-N 1 0 327.428 2.898 10 10 EFCERO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCN(c3cc(C)nn3C)C2)c1 ZINC000278338084 474614456 /nfs/dbraw/zinc/61/44/56/474614456.db2.gz CFLMTIHSJRXEON-LSDHHAIUSA-N 1 0 344.459 2.762 10 10 EFCERO CCn1nccc1CC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000278782517 474831186 /nfs/dbraw/zinc/83/11/86/474831186.db2.gz ZONXWBPVNWJURJ-GOSISDBHSA-N 1 0 329.444 2.832 10 10 EFCERO CCNC(=O)N1CC[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000268454025 474986880 /nfs/dbraw/zinc/98/68/80/474986880.db2.gz WUOYQKYAQRISRY-GOSISDBHSA-N 1 0 339.439 2.953 10 10 EFCERO COC[C@](C)(CCO)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280205860 475015101 /nfs/dbraw/zinc/01/51/01/475015101.db2.gz HZJKMAGSMVTFOT-HNNXBMFYSA-N 1 0 334.382 2.649 10 10 EFCERO CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000293581146 475041406 /nfs/dbraw/zinc/04/14/06/475041406.db2.gz JRZUDUYWYSKLOF-ZDUSSCGKSA-N 1 0 343.874 2.548 10 10 EFCERO COc1cc(O)c(C[N@@H+]2CCCC[C@H]2c2ccnn2C)cc1OC ZINC000281333224 475174483 /nfs/dbraw/zinc/17/44/83/475174483.db2.gz SAUURNPBTPWQGB-HNNXBMFYSA-N 1 0 331.416 2.870 10 10 EFCERO Cc1cc(N2CCC[C@@H]([NH2+]Cc3cc(Cl)ccc3O)C2)n(C)n1 ZINC000373055375 476373579 /nfs/dbraw/zinc/37/35/79/476373579.db2.gz FHSOTBAKPBKWLG-OAHLLOKOSA-N 1 0 334.851 2.846 10 10 EFCERO CCOc1cccc(C[N@H+](C)C2CCN(c3cnccn3)CC2)c1O ZINC000369491801 476421442 /nfs/dbraw/zinc/42/14/42/476421442.db2.gz SLKCNEIUQJBIOD-UHFFFAOYSA-N 1 0 342.443 2.682 10 10 EFCERO CCOCc1cc(C[NH2+]CC2(O)Cc3ccccc3C2)ccc1OC ZINC000371701164 477454749 /nfs/dbraw/zinc/45/47/49/477454749.db2.gz PSMARKBYJJQKHP-UHFFFAOYSA-N 1 0 341.451 2.851 10 10 EFCERO Cc1cc(Br)cc(CN[C@H]2CC[NH2+]C23CCC3)c1O ZINC000530179732 477878240 /nfs/dbraw/zinc/87/82/40/477878240.db2.gz WBBKDWMNXUYQPI-ZDUSSCGKSA-N 1 0 325.250 2.837 10 10 EFCERO CCOCc1cc(C[NH2+]CCc2ccc(OC)nc2)ccc1OC ZINC000527794102 478519759 /nfs/dbraw/zinc/51/97/59/478519759.db2.gz WQQLRJIWYVABGM-UHFFFAOYSA-N 1 0 330.428 2.968 10 10 EFCERO CCOc1ccc(O)c(C[NH2+]C[C@@H]2c3ccccc3C(=O)N2C)c1 ZINC000527805115 478527401 /nfs/dbraw/zinc/52/74/01/478527401.db2.gz IGMXSZAPXFRQTQ-QGZVFWFLSA-N 1 0 326.396 2.707 10 10 EFCERO CC[C@H]([NH2+]C[C@@H](O)[C@H]1CCCO1)c1ccc(C(F)(F)F)cc1O ZINC000527953194 478585659 /nfs/dbraw/zinc/58/56/59/478585659.db2.gz KIPXRKOSFOUGFW-NWANDNLSSA-N 1 0 333.350 2.992 10 10 EFCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCCCN2)C1 ZINC000614735292 479497010 /nfs/dbraw/zinc/49/70/10/479497010.db2.gz QZKPRHCYTASDJQ-UHFFFAOYSA-N 1 0 340.471 2.535 10 10 EFCERO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3C[NH2+]CC[C@H]3C)ccc21 ZINC000577526003 479594275 /nfs/dbraw/zinc/59/42/75/479594275.db2.gz RLEJPAFCUXQDPM-FZKQIMNGSA-N 1 0 343.471 2.632 10 10 EFCERO COCCn1c(C)c(C)c2cc(C(=O)N(C)CC3C[NH+](C)C3)ccc21 ZINC000618194241 480563932 /nfs/dbraw/zinc/56/39/32/480563932.db2.gz VVIWHZXIEWYEEY-UHFFFAOYSA-N 1 0 343.471 2.538 10 10 EFCERO Nc1nc(N2CC=C(c3c[nH]c4ncccc34)CC2)c2c([nH+]1)CCCC2 ZINC000645106853 480696663 /nfs/dbraw/zinc/69/66/63/480696663.db2.gz KQBIBGQYPPACJT-UHFFFAOYSA-N 1 0 346.438 2.938 10 10 EFCERO O=C(c1cn[nH]c1[C@@H]1CC[NH2+]C1)N1CC2(CCCC2)c2ccccc21 ZINC000662492638 481839478 /nfs/dbraw/zinc/83/94/78/481839478.db2.gz NFQHJFJGIPUCDE-CQSZACIVSA-N 1 0 336.439 2.959 10 10 EFCERO O=C(c1cn[nH]c1[C@H]1CC[NH2+]C1)N1CC2(CCCC2)c2ccccc21 ZINC000662492637 481839796 /nfs/dbraw/zinc/83/97/96/481839796.db2.gz NFQHJFJGIPUCDE-AWEZNQCLSA-N 1 0 336.439 2.959 10 10 EFCERO CN(C)c1ccc(CNC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cc1 ZINC000031727351 521859779 /nfs/dbraw/zinc/85/97/79/521859779.db2.gz BKZJGOARNJGJDL-IBGZPJMESA-N 1 0 340.471 2.855 10 10 EFCERO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)c1O ZINC000177189315 527206021 /nfs/dbraw/zinc/20/60/21/527206021.db2.gz UUXYXKMRSCFMGI-GFCCVEGCSA-N 1 0 333.819 2.971 10 10 EFCERO CCN(CC)c1ccc(C[NH+]2CCC(C(=O)N(C)C)CC2)cc1F ZINC000162596787 528298938 /nfs/dbraw/zinc/29/89/38/528298938.db2.gz DBMPIKLMDFTQRZ-UHFFFAOYSA-N 1 0 335.467 2.972 10 10 EFCERO CCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000129688512 528407733 /nfs/dbraw/zinc/40/77/33/528407733.db2.gz MLCZVQWCJCBYPI-OAHLLOKOSA-N 1 0 334.460 2.886 10 10 EFCERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000176485906 529087743 /nfs/dbraw/zinc/08/77/43/529087743.db2.gz PIRCURPVGXYYHS-APWZRJJASA-N 1 0 344.503 2.815 10 10 EFCERO CCOc1ccc(O)c(C[NH2+]Cc2ccc(Cn3cncn3)cc2)c1 ZINC000263654606 535752306 /nfs/dbraw/zinc/75/23/06/535752306.db2.gz FIJGYSMRDCJYLT-UHFFFAOYSA-N 1 0 338.411 2.721 10 10 EFCERO CC[C@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1ccc(N(C)C)cc1 ZINC000367413258 535937035 /nfs/dbraw/zinc/93/70/35/535937035.db2.gz QQKJATIQNAQSLH-RBUKOAKNSA-N 1 0 345.487 2.573 10 10 EFCERO CC[C@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1ccc(C)cc1O ZINC000373559322 546149519 /nfs/dbraw/zinc/14/95/19/546149519.db2.gz BNMHGJMRMNLNHS-DLBZAZTESA-N 1 0 332.444 2.521 10 10 EFCERO CCSCC[NH2+]CCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000761521020 576174157 /nfs/dbraw/zinc/17/41/57/576174157.db2.gz IEENDSPCLWFWEX-UHFFFAOYSA-N 1 0 337.533 2.550 10 10 EFCERO CCCN(CCC)c1ccc(C[NH2+]C[C@H](C)S(C)(=O)=O)cc1 ZINC000754085908 575387840 /nfs/dbraw/zinc/38/78/40/575387840.db2.gz RVUNYTNFRLEWAK-HNNXBMFYSA-N 1 0 326.506 2.836 10 10 EFCERO Cc1ccc(/C=C\C(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)cn1 ZINC000754359785 575424724 /nfs/dbraw/zinc/42/47/24/575424724.db2.gz ZTMIIVIALHWMEM-MQNTZWLQSA-N 1 0 337.423 2.759 10 10 EFCERO CCCN(CCC)c1ccc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000754891058 575510217 /nfs/dbraw/zinc/51/02/17/575510217.db2.gz TWCDEXYGHHNWQR-QGZVFWFLSA-N 1 0 338.517 2.980 10 10 EFCERO C[C@H]1CN(C)C[C@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000756113526 575686317 /nfs/dbraw/zinc/68/63/17/575686317.db2.gz JUTXAMBIQBBXPB-SUMWQHHRSA-N 1 0 339.430 2.797 10 10 EFCERO COC(=O)CC1([NH2+]Cc2ccc(N3CCOCC3)cc2)CCCCC1 ZINC000756132358 575690591 /nfs/dbraw/zinc/69/05/91/575690591.db2.gz MRKQLAKRXREFDF-UHFFFAOYSA-N 1 0 346.471 2.879 10 10 EFCERO C[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1cc(Br)ccc1O ZINC000756762642 575784665 /nfs/dbraw/zinc/78/46/65/575784665.db2.gz PMMIKSTUKQJZMZ-RAALSFIWSA-N 1 0 334.279 2.962 10 10 EFCERO C[C@@H]1C[C@@H]([NH2+]CCC2CCS(=O)(=O)CC2)c2c1c(F)ccc2O ZINC000756778951 575786138 /nfs/dbraw/zinc/78/61/38/575786138.db2.gz HCDQSTXLHBRVFS-BXUZGUMPSA-N 1 0 341.448 2.884 10 10 EFCERO COC(=O)c1ccc(O)c([C@H](C)Nc2cnn(-c3cc[nH+]cc3)c2)c1 ZINC000756868842 575794972 /nfs/dbraw/zinc/79/49/72/575794972.db2.gz XCSWWJBMOLRNGZ-LBPRGKRZSA-N 1 0 338.367 2.933 10 10 EFCERO CCN(CC)c1ccc(C[N@H+](C)CCCCS(C)(=O)=O)cc1 ZINC000759688182 575921599 /nfs/dbraw/zinc/92/15/99/575921599.db2.gz FMEIRXVCFCZLND-UHFFFAOYSA-N 1 0 326.506 2.789 10 10 EFCERO COC(=O)c1cc2ccccc2c(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)c1O ZINC000765098059 577006728 /nfs/dbraw/zinc/00/67/28/577006728.db2.gz CQJJDYZODKGNPS-STQMWFEESA-N 1 0 329.396 2.941 10 10 EFCERO CC[C@@H](C)[NH2+]Cc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000765278626 577026567 /nfs/dbraw/zinc/02/65/67/577026567.db2.gz ABADNEZEQIPTMB-OAHLLOKOSA-N 1 0 343.450 2.830 10 10 EFCERO CC[S@@](=O)CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765938670 577090150 /nfs/dbraw/zinc/09/01/50/577090150.db2.gz ABQDNMCKEOYENH-WHEQGISXSA-N 1 0 344.908 2.596 10 10 EFCERO COc1ccc(C[NH2+][C@H]2CCCN(c3cc(C)nn3C)C2)cc1C ZINC000767741740 577231207 /nfs/dbraw/zinc/23/12/07/577231207.db2.gz RBQLHMJOEIKDRJ-KRWDZBQOSA-N 1 0 328.460 2.804 10 10 EFCERO COc1cc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c(O)cc1C ZINC000768448733 577274786 /nfs/dbraw/zinc/27/47/86/577274786.db2.gz WHTNGYSEWPEJMY-OAHLLOKOSA-N 1 0 332.444 2.544 10 10 EFCERO C[C@]1(c2ccccc2)CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768464037 577275895 /nfs/dbraw/zinc/27/58/95/577275895.db2.gz MTBCDYWWTMNZLM-QUCCMNQESA-N 1 0 325.408 2.982 10 10 EFCERO Oc1cc2c(cc1C[NH+]1CCC(c3ccccn3)CC1)[C@H](O)CO2 ZINC000768463291 577276016 /nfs/dbraw/zinc/27/60/16/577276016.db2.gz RDINUNFWAHSMNE-GOSISDBHSA-N 1 0 326.396 2.593 10 10 EFCERO Oc1cc2c(cc1C[N@H+](C[C@@H]1CCCO1)C1CCCC1)[C@@H](O)CO2 ZINC000768465812 577276239 /nfs/dbraw/zinc/27/62/39/577276239.db2.gz LYHWDUNZCNUMLX-YJBOKZPZSA-N 1 0 333.428 2.742 10 10 EFCERO C/C=C/C=C\C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768532483 577280941 /nfs/dbraw/zinc/28/09/41/577280941.db2.gz KTYBUJANSBGFCM-IAROGAJJSA-N 1 0 339.483 2.967 10 10 EFCERO CCOCCOC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000769664492 577377493 /nfs/dbraw/zinc/37/74/93/577377493.db2.gz DZIWESWBXIIQFE-UHFFFAOYSA-N 1 0 344.455 2.988 10 10 EFCERO CO[C@@H](C)COC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000769665149 577377603 /nfs/dbraw/zinc/37/76/03/577377603.db2.gz QMLFBVJYGCZDOC-HNNXBMFYSA-N 1 0 344.455 2.986 10 10 EFCERO C[C@H]([NH2+]CC1(CCO)CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000773069321 581393486 /nfs/dbraw/zinc/39/34/86/581393486.db2.gz OBMCIBMMFCVRNU-HNNXBMFYSA-N 1 0 336.451 2.866 10 10 EFCERO C[C@@H](NC(=O)NCC[N@@H+]1CCCC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000773216707 581406225 /nfs/dbraw/zinc/40/62/25/581406225.db2.gz BJJQSKBABKHEBF-HZPDHXFCSA-N 1 0 332.492 2.987 10 10 EFCERO CCN(C)c1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)cc1 ZINC000773758545 581462391 /nfs/dbraw/zinc/46/23/91/581462391.db2.gz VLMKVFUULRMCMN-SFHVURJKSA-N 1 0 329.488 2.977 10 10 EFCERO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(N(C)CC)cc1 ZINC000773853134 581469762 /nfs/dbraw/zinc/46/97/62/581469762.db2.gz YCKJZVBKNGBYDT-MSOLQXFVSA-N 1 0 334.460 2.685 10 10 EFCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)O[C@@H]2CCOC2)C1 ZINC000774077599 581482050 /nfs/dbraw/zinc/48/20/50/581482050.db2.gz FCYZYYYWOJNPEL-OAHLLOKOSA-N 1 0 342.439 2.740 10 10 EFCERO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000774681193 581497592 /nfs/dbraw/zinc/49/75/92/581497592.db2.gz ZNGKKHRCUQDICV-QZTJIDSGSA-N 1 0 347.455 2.814 10 10 EFCERO CCc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCC[N@H+]1CC ZINC001709039188 1248817808 /nfs/dbraw/zinc/81/78/08/1248817808.db2.gz ZVDDFKBWVCMRTO-INIZCTEOSA-N 1 0 343.475 2.667 10 10 EFCERO COc1cc(C[NH2+][C@H]2CCC[C@H](C(N)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000850150417 1250316096 /nfs/dbraw/zinc/31/60/96/1250316096.db2.gz IXXDOTQQIRWNMP-JSGCOSHPSA-N 1 0 334.460 2.832 10 10 EFCERO COc1cc(C[NH2+][C@@H]2CCC[C@@H](C(N)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000850150421 1250316123 /nfs/dbraw/zinc/31/61/23/1250316123.db2.gz IXXDOTQQIRWNMP-TZMCWYRMSA-N 1 0 334.460 2.832 10 10 EFCERO COc1cc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c(O)c(C(C)(C)C)c1 ZINC000850166382 1250329099 /nfs/dbraw/zinc/32/90/99/1250329099.db2.gz ZQAIIFJEOMUTGZ-DXCKQFNASA-N 1 0 346.471 2.797 10 10 EFCERO COC[C@](C)(CCO)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850174989 1250335980 /nfs/dbraw/zinc/33/59/80/1250335980.db2.gz BVXCDKUYFAXXDN-SFHVURJKSA-N 1 0 325.449 2.575 10 10 EFCERO CC[N@H+](CCNC(=O)c1ccc(N=NC(N)=O)cc1)CCC1CC1 ZINC001691058426 1248319811 /nfs/dbraw/zinc/31/98/11/1248319811.db2.gz FKAKVTYWQJPTDK-UHFFFAOYSA-N 1 0 331.420 2.701 10 10 EFCERO COc1cc(C[NH2+]Cc2cc(C(N)=O)co2)c(O)c(C(C)(C)C)c1 ZINC000850254776 1250381249 /nfs/dbraw/zinc/38/12/49/1250381249.db2.gz VKAAMFOPVUNJBP-UHFFFAOYSA-N 1 0 332.400 2.680 10 10 EFCERO CCOc1cccc(C[NH2+]Cc2ccc(CNC(C)=O)cc2)c1O ZINC000850343470 1250438476 /nfs/dbraw/zinc/43/84/76/1250438476.db2.gz UBSNFNLIQAHUQP-UHFFFAOYSA-N 1 0 328.412 2.717 10 10 EFCERO COc1cc(C[NH2+]C[C@@H](OC)[C@H]2CCOC2)c(O)c(C(C)(C)C)c1 ZINC000850341754 1250440478 /nfs/dbraw/zinc/44/04/78/1250440478.db2.gz DYQBCTBFDRNRCU-SUMWQHHRSA-N 1 0 337.460 2.839 10 10 EFCERO CCOc1cccc(C[NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)n1 ZINC000850346745 1250441082 /nfs/dbraw/zinc/44/10/82/1250441082.db2.gz IVSYUFGPQSFXAI-MRXNPFEDSA-N 1 0 327.428 2.857 10 10 EFCERO CCn1nc(C)c(C[NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)c1C ZINC000850346428 1250441106 /nfs/dbraw/zinc/44/11/06/1250441106.db2.gz VDXPZTCZUFCTSA-MRXNPFEDSA-N 1 0 328.460 2.897 10 10 EFCERO CCOc1ccc(O)c(C[NH2+]Cc2cnc(C(F)(F)F)nc2)c1 ZINC000850345088 1250442829 /nfs/dbraw/zinc/44/28/29/1250442829.db2.gz IYVSDAQBRCGMLL-UHFFFAOYSA-N 1 0 327.306 2.890 10 10 EFCERO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2Cc3ccccc3N(C)C2=O)cc1 ZINC000850353046 1250444933 /nfs/dbraw/zinc/44/49/33/1250444933.db2.gz QVWAQBOKSQHUHM-LIXSYLKWSA-N 1 0 335.451 2.943 10 10 EFCERO C[C@@H](COc1c(F)cccc1F)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000850366789 1250448993 /nfs/dbraw/zinc/44/89/93/1250448993.db2.gz LDQUYQFLISCTJC-JTQLQIEISA-N 1 0 337.322 2.956 10 10 EFCERO O[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c2ccccc21 ZINC000850372497 1250453125 /nfs/dbraw/zinc/45/31/25/1250453125.db2.gz VKKDRQRZJTTZNV-UYAOXDASSA-N 1 0 342.414 2.930 10 10 EFCERO CCOc1ccc(C[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c(O)c1 ZINC000850396030 1250465032 /nfs/dbraw/zinc/46/50/32/1250465032.db2.gz OIWSRGXPSHTBEF-RTBURBONSA-N 1 0 346.471 2.524 10 10 EFCERO OC1CCN(c2ccc(C[NH2+][C@@H]3COC4(CCC4)C3)cc2F)CC1 ZINC000850426977 1250480987 /nfs/dbraw/zinc/48/09/87/1250480987.db2.gz JGYKREHEDPNPGO-HNNXBMFYSA-N 1 0 334.435 2.588 10 10 EFCERO COc1ccc(N2CCN(CC[NH2+][C@@H]3CCCSCC3)CC2)cc1 ZINC000850429599 1250483084 /nfs/dbraw/zinc/48/30/84/1250483084.db2.gz QQPXBMGCXAJZPB-QGZVFWFLSA-N 1 0 349.544 2.693 10 10 EFCERO COC[C@@H](CC1CCOCC1)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000850431657 1250484100 /nfs/dbraw/zinc/48/41/00/1250484100.db2.gz ZYYPIGMHVNOCRY-LJQANCHMSA-N 1 0 332.488 2.990 10 10 EFCERO COc1ccc(N2CC[C@H]([NH2+][C@H](Cn3cccn3)C(C)C)C2)cc1 ZINC000850489272 1250500433 /nfs/dbraw/zinc/50/04/33/1250500433.db2.gz SLGPOJVODMDACK-QFBILLFUSA-N 1 0 328.460 2.785 10 10 EFCERO COc1ccc(N2CC[C@H]([NH2+][C@H](C)c3cc4n(n3)CCC4)C2)cc1 ZINC000850485703 1250503071 /nfs/dbraw/zinc/50/30/71/1250503071.db2.gz AWYIEUNCZSFFKE-CABCVRRESA-N 1 0 326.444 2.767 10 10 EFCERO COc1ccc(N2CC[C@H]([NH2+]C3CCC4(CC3)OCCO4)C2)cc1 ZINC000850488450 1250503647 /nfs/dbraw/zinc/50/36/47/1250503647.db2.gz MZBYNFQABPMWKK-INIZCTEOSA-N 1 0 332.444 2.549 10 10 EFCERO COc1ccc(N2CC[C@H]([NH2+][C@H](C)Cc3cccc(OC)n3)C2)cc1 ZINC000850488077 1250503979 /nfs/dbraw/zinc/50/39/79/1250503979.db2.gz KXOYZQRATWGBSG-WBVHZDCISA-N 1 0 341.455 2.898 10 10 EFCERO CC[C@@H]([NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1)C1(C(=O)OC)CCC1 ZINC000850486679 1250504674 /nfs/dbraw/zinc/50/46/74/1250504674.db2.gz CTICTCBQOMSHDE-CRAIPNDOSA-N 1 0 346.471 2.985 10 10 EFCERO COCc1n[nH]c(CN[C@@H](C)c2ccc(N3CCCCC3)cc2)n1 ZINC000850514686 1250517728 /nfs/dbraw/zinc/51/77/28/1250517728.db2.gz PGUGTTJZQHVTLE-AWEZNQCLSA-N 1 0 329.448 2.792 10 10 EFCERO CCS(=O)(=O)C1(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)CC1 ZINC000850555439 1250532716 /nfs/dbraw/zinc/53/27/16/1250532716.db2.gz INVQPLMMMCQDMD-LLVKDONJSA-N 1 0 331.865 2.972 10 10 EFCERO Cc1cc(C)c([C@H](C)[NH2+]CCN2C[C@@H]3CCCCN3C2=O)c(O)c1 ZINC000850563188 1250534503 /nfs/dbraw/zinc/53/45/03/1250534503.db2.gz UKWXBEMXMIASTB-HOTGVXAUSA-N 1 0 331.460 2.950 10 10 EFCERO C[C@@H]([NH2+]CCN1C[C@H]2CCCCN2C1=O)c1ccc(Cl)cc1O ZINC000850563286 1250534564 /nfs/dbraw/zinc/53/45/64/1250534564.db2.gz VMYAVEVEFZKQMD-TZMCWYRMSA-N 1 0 337.851 2.986 10 10 EFCERO C[C@H]([NH2+]CCN1C[C@H]2CCCCN2C1=O)c1ccc(Cl)cc1O ZINC000850563283 1250534992 /nfs/dbraw/zinc/53/49/92/1250534992.db2.gz VMYAVEVEFZKQMD-GXTWGEPZSA-N 1 0 337.851 2.986 10 10 EFCERO OC1CCN(c2ccc(C[NH2+][C@@H]3CCCc4n[nH]cc43)cc2)CC1 ZINC000850568501 1250540780 /nfs/dbraw/zinc/54/07/80/1250540780.db2.gz ZGUJYXAZLUENOS-GOSISDBHSA-N 1 0 326.444 2.538 10 10 EFCERO CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3ccc(N4CCC(O)CC4)cc3)C[C@H]2C1 ZINC000850567984 1250540981 /nfs/dbraw/zinc/54/09/81/1250540981.db2.gz NFHVWDOKVUXDDR-KPXNQEIRSA-N 1 0 344.499 2.941 10 10 EFCERO CN(C)c1ccc(CNC(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000851655657 1251180946 /nfs/dbraw/zinc/18/09/46/1251180946.db2.gz ZCTKBPXRRSIVAR-SFHVURJKSA-N 1 0 344.503 2.674 10 10 EFCERO Cn1nc2c(c1C[NH2+]Cc1ccc(N3CCSCC3)cc1)CCC2 ZINC000921551770 1257250643 /nfs/dbraw/zinc/25/06/43/1257250643.db2.gz PVTZAZREVUWAEV-UHFFFAOYSA-N 1 0 342.512 2.752 10 10 EFCERO c1nc2n(c1C[NH2+]Cc1ccc(N3CCCCC3)cc1)CCOC2 ZINC000921618324 1257617239 /nfs/dbraw/zinc/61/72/39/1257617239.db2.gz HYQWIXQCJOHFDF-UHFFFAOYSA-N 1 0 326.444 2.693 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)C[C@@H]3CCCOC3)CC2)cc1C ZINC001670899926 1257956667 /nfs/dbraw/zinc/95/66/67/1257956667.db2.gz HODRDTOIYUZTGE-KRWDZBQOSA-N 1 0 346.471 2.559 10 10 EFCERO CN(C)c1cc(F)c(C[NH2+][C@H]2CCCN3CCSC[C@H]23)cc1F ZINC000922524984 1266199563 /nfs/dbraw/zinc/19/95/63/1266199563.db2.gz KVDWBCBADCNGDV-DOTOQJQBSA-N 1 0 341.471 2.700 10 10 EFCERO [O-]c1c(Br)cccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000843127849 1261085030 /nfs/dbraw/zinc/08/50/30/1261085030.db2.gz UBOUKSNQNOHMSV-TXEJJXNPSA-N 1 0 325.250 2.586 10 10 EFCERO CCc1cc(C(=O)N(C)C[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)[nH]n1 ZINC001485847236 1262421216 /nfs/dbraw/zinc/42/12/16/1262421216.db2.gz JGFRHCULXQQAIM-AWEZNQCLSA-N 1 0 344.459 2.539 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2ccn(C)c2)cc1C ZINC001485865376 1262438638 /nfs/dbraw/zinc/43/86/38/1262438638.db2.gz CXQIHMQSZRZSJN-OAHLLOKOSA-N 1 0 329.444 2.592 10 10 EFCERO CC[C@H](F)C[NH2+][C@H](C)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001485963777 1262547600 /nfs/dbraw/zinc/54/76/00/1262547600.db2.gz SYAWGFYQMDZHGH-YPMHNXCESA-N 1 0 337.399 2.647 10 10 EFCERO CC[C@H](C)C[NH2+][C@@H](C)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001485961648 1262561235 /nfs/dbraw/zinc/56/12/35/1262561235.db2.gz GGSQNDAVYIRJJE-STQMWFEESA-N 1 0 333.436 2.945 10 10 EFCERO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)COCC3CC3)[C@H]2C)cc1C ZINC001486073213 1262625116 /nfs/dbraw/zinc/62/51/16/1262625116.db2.gz XOPNVGVSAMBBIV-MAUKXSAKSA-N 1 0 346.471 2.509 10 10 EFCERO CC(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001486223062 1262829395 /nfs/dbraw/zinc/82/93/95/1262829395.db2.gz XGURHNACMNDKFJ-BBRMVZONSA-N 1 0 345.447 2.993 10 10 EFCERO CC(C)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001486223064 1262830302 /nfs/dbraw/zinc/83/03/02/1262830302.db2.gz XGURHNACMNDKFJ-CZUORRHYSA-N 1 0 345.447 2.993 10 10 EFCERO C[C@H](F)CC[NH2+]C1CC(N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001486484261 1263224357 /nfs/dbraw/zinc/22/43/57/1263224357.db2.gz YCKYBYKCQKNODS-QGLTVNCISA-N 1 0 349.410 2.790 10 10 EFCERO COc1cc(O)c(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)cc1OC ZINC000824696948 1278229131 /nfs/dbraw/zinc/22/91/31/1278229131.db2.gz VQJNQNHYYZCWIB-BZUAXINKSA-N 1 0 335.444 2.925 10 10 EFCERO COc1cc(C[NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)c(O)c(C(C)(C)C)c1 ZINC000922725828 1266665392 /nfs/dbraw/zinc/66/53/92/1266665392.db2.gz NARGULMKKGLLJH-KMFMINBZSA-N 1 0 335.444 2.592 10 10 EFCERO CCO[C@@H](C[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)CN(C)C ZINC000922756649 1266742158 /nfs/dbraw/zinc/74/21/58/1266742158.db2.gz RJRXSOKAQNBTFU-INIZCTEOSA-N 1 0 338.492 2.755 10 10 EFCERO Cc1ccc(O)c(C[NH2+][C@]2(CO)CCCN(Cc3ccccc3)C2)c1 ZINC000734846062 1267130146 /nfs/dbraw/zinc/13/01/46/1267130146.db2.gz OBEMUMFGPGLGFC-OAQYLSRUSA-N 1 0 340.467 2.817 10 10 EFCERO Cc1nn(C)c(C)c1CC[NH2+]Cc1ccc(Br)cc1O ZINC000825070560 1278404912 /nfs/dbraw/zinc/40/49/12/1278404912.db2.gz HHLBWENZBCVSIA-UHFFFAOYSA-N 1 0 338.249 2.837 10 10 EFCERO C[C@](CO)([NH2+]Cc1ccc(N2CCOCC2)cc1)C1CCCCC1 ZINC000740014858 1268837427 /nfs/dbraw/zinc/83/74/27/1268837427.db2.gz WUDXQQHWVMDOMW-HXUWFJFHSA-N 1 0 332.488 2.944 10 10 EFCERO Cc1cc(O)c(C[N@H+](C)C[C@@H]2CCS(=O)(=O)C2)cc1C(C)C ZINC000740866584 1269140597 /nfs/dbraw/zinc/14/05/97/1269140597.db2.gz FHXRUFBAJLSTCJ-AWEZNQCLSA-N 1 0 325.474 2.691 10 10 EFCERO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](NC(=O)N(C)C)C2)c1O ZINC000825279161 1278491154 /nfs/dbraw/zinc/49/11/54/1278491154.db2.gz PEWRSAJMQXZPBD-CQSZACIVSA-N 1 0 325.840 2.590 10 10 EFCERO CC[NH+]1CCN(c2ccc(CNC(=O)N3[C@@H](C)C[C@@H]3C)cc2F)CC1 ZINC000792077130 1278532598 /nfs/dbraw/zinc/53/25/98/1278532598.db2.gz WJZJGMNGDFSTSM-GJZGRUSLSA-N 1 0 348.466 2.660 10 10 EFCERO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1 ZINC000922893630 1270771471 /nfs/dbraw/zinc/77/14/71/1270771471.db2.gz VLFNKHIWQPUYIB-QUCCMNQESA-N 1 0 330.472 2.818 10 10 EFCERO Cc1cc(N(C)C)ccc1CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000745826708 1271650479 /nfs/dbraw/zinc/65/04/79/1271650479.db2.gz AAVQRQXSZFOBMT-MAUKXSAKSA-N 1 0 332.492 2.685 10 10 EFCERO CCN(CC)c1ccc(C[N@H+](C)C[C@H]2CN(C3CC3)C(=O)O2)cc1 ZINC000844271482 1278846077 /nfs/dbraw/zinc/84/60/77/1278846077.db2.gz QJGBTYLPFXWBGR-SFHVURJKSA-N 1 0 331.460 2.948 10 10 EFCERO Oc1cccc(Br)c1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000707172219 1275376011 /nfs/dbraw/zinc/37/60/11/1275376011.db2.gz UUJQPFXAYGYTDS-LBPRGKRZSA-N 1 0 325.250 2.825 10 10 EFCERO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1(F)CC1 ZINC000843831131 1275415989 /nfs/dbraw/zinc/41/59/89/1275415989.db2.gz MRTPFXXRRPEFAL-CYBMUJFWSA-N 1 0 326.799 2.628 10 10 EFCERO C[C@H]([NH2+]CCC1CS(=O)(=O)C1)c1ccc(N2CCCCC2)cc1 ZINC000786946631 1275585967 /nfs/dbraw/zinc/58/59/67/1275585967.db2.gz CAQIVYPUQABYKA-HNNXBMFYSA-N 1 0 336.501 2.762 10 10 EFCERO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)[C@H](O)c2ccc3c(c2)OCO3)c1 ZINC000787008203 1275605979 /nfs/dbraw/zinc/60/59/79/1275605979.db2.gz ASPZAKQFDOYYJK-UFYHVXEKSA-N 1 0 345.395 2.902 10 10 EFCERO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000787511730 1275791204 /nfs/dbraw/zinc/79/12/04/1275791204.db2.gz WUTGNEKIMVEAMJ-CQSZACIVSA-N 1 0 334.460 2.657 10 10 EFCERO CCc1cc(C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)c(O)c(C(C)(C)C)c1 ZINC000788382432 1276160046 /nfs/dbraw/zinc/16/00/46/1276160046.db2.gz FSQINSACDIKNTK-HXUWFJFHSA-N 1 0 330.472 2.964 10 10 EFCERO C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1cc(Br)cc(F)c1[O-] ZINC000817971260 1276414470 /nfs/dbraw/zinc/41/44/70/1276414470.db2.gz LLDFHRGWQSPEKP-MWODSPESSA-N 1 0 331.229 2.942 10 10 EFCERO CN(C)c1cc(F)c(CNCc2nc3c(s2)COCC3)cc1F ZINC000922960563 1276415457 /nfs/dbraw/zinc/41/54/57/1276415457.db2.gz QAROARCKRBHBAT-UHFFFAOYSA-N 1 0 339.411 2.850 10 10 EFCERO C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cc(F)cc(F)c1[O-] ZINC000817982616 1276420803 /nfs/dbraw/zinc/42/08/03/1276420803.db2.gz HCUIRNIXTNLTJZ-LRVUVFPRSA-N 1 0 339.430 2.537 10 10 EFCERO OC1CCN(c2ccc(C[NH2+]C3([C@@H]4CCCCO4)CC3)cc2)CC1 ZINC000923028927 1276567135 /nfs/dbraw/zinc/56/71/35/1276567135.db2.gz VUXYCMWQACAABB-IBGZPJMESA-N 1 0 330.472 2.839 10 10 EFCERO Cc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(N3CC=CC3)cc2)cc1 ZINC000819096201 1276605518 /nfs/dbraw/zinc/60/55/18/1276605518.db2.gz ZDZQDPWBQXUMEC-HXUWFJFHSA-N 1 0 338.451 2.901 10 10 EFCERO O[C@@H](C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CC1 ZINC000819120299 1276638806 /nfs/dbraw/zinc/63/88/06/1276638806.db2.gz OSROXTAATZHQIT-BBRMVZONSA-N 1 0 326.387 2.617 10 10 EFCERO O[C@H](C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CC1 ZINC000819120307 1276639200 /nfs/dbraw/zinc/63/92/00/1276639200.db2.gz OSROXTAATZHQIT-XJKSGUPXSA-N 1 0 326.387 2.617 10 10 EFCERO O[C@H](C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CC1 ZINC000819120304 1276639312 /nfs/dbraw/zinc/63/93/12/1276639312.db2.gz OSROXTAATZHQIT-CZUORRHYSA-N 1 0 326.387 2.617 10 10 EFCERO Cc1cc(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)ccc1N(C)C ZINC000815047009 1287266388 /nfs/dbraw/zinc/26/63/88/1287266388.db2.gz JVLFMVAQYOHBBS-SFHVURJKSA-N 1 0 329.488 2.895 10 10 EFCERO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)OCC1CC1 ZINC000790042840 1277178943 /nfs/dbraw/zinc/17/89/43/1277178943.db2.gz JRDOUUILNKFIBP-UHFFFAOYSA-N 1 0 343.471 2.855 10 10 EFCERO CCN1C(=O)N=NC1C1CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000815074827 1287301062 /nfs/dbraw/zinc/30/10/62/1287301062.db2.gz FZNVVDYEIBQLDE-UHFFFAOYSA-N 1 0 343.475 2.758 10 10 EFCERO CN(C)c1ccc(C[NH2+]C[C@@H](CO)Cc2ccc(F)c(F)c2)cc1 ZINC000791002866 1277901899 /nfs/dbraw/zinc/90/18/99/1277901899.db2.gz APFXRYKAZMGMCF-INIZCTEOSA-N 1 0 334.410 2.972 10 10 EFCERO COc1cccc(C[NH2+]C[C@@H](CO)Cc2ccc(F)c(F)c2)c1O ZINC000791003854 1277902622 /nfs/dbraw/zinc/90/26/22/1277902622.db2.gz JJWUBHDUCIMNDI-ZDUSSCGKSA-N 1 0 337.366 2.620 10 10 EFCERO Cc1cc(C[N@@H+]2CCC[C@@H](c3ccnc(N)n3)C2)ccc1N(C)C ZINC000815104017 1287325522 /nfs/dbraw/zinc/32/55/22/1287325522.db2.gz AZHWSQDNOVZICA-MRXNPFEDSA-N 1 0 325.460 2.813 10 10 EFCERO CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC000792929465 1279281371 /nfs/dbraw/zinc/28/13/71/1279281371.db2.gz CTCBXTFIYYYMRT-AZUAARDMSA-N 1 0 332.488 2.943 10 10 EFCERO CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC000792929477 1279281692 /nfs/dbraw/zinc/28/16/92/1279281692.db2.gz CTCBXTFIYYYMRT-UYAOXDASSA-N 1 0 332.488 2.943 10 10 EFCERO CCO[C@@H]1CN(Cc2ccc(N(C)C)cc2C(F)(F)F)C[C@H]1C[NH3+] ZINC000844903613 1279325229 /nfs/dbraw/zinc/32/52/29/1279325229.db2.gz HPTUOFXKXRSPAO-CZUORRHYSA-N 1 0 345.409 2.567 10 10 EFCERO Cc1ccccc1[C@H](CO)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000747100508 1279366515 /nfs/dbraw/zinc/36/65/15/1279366515.db2.gz IXOWPAAHIFMPJX-FQEVSTJZSA-N 1 0 326.440 2.655 10 10 EFCERO CC(C)C[N@H+](C)CCCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000845001390 1279377894 /nfs/dbraw/zinc/37/78/94/1279377894.db2.gz AFXLXSISOHZZEA-UHFFFAOYSA-N 1 0 344.503 2.840 10 10 EFCERO CC[NH+]1CCN(c2ccc(CNC(=O)CCC(F)F)cc2F)CC1 ZINC000793456208 1279703563 /nfs/dbraw/zinc/70/35/63/1279703563.db2.gz MYNHNOGKENGPOT-UHFFFAOYSA-N 1 0 343.393 2.629 10 10 EFCERO C[C@@H]1C[C@H]([NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)c2c1c(F)ccc2O ZINC000793573367 1279771328 /nfs/dbraw/zinc/77/13/28/1279771328.db2.gz QCWYDWJDQOFGGV-REJLFOLJSA-N 1 0 325.424 2.827 10 10 EFCERO C[C@@H]1C[C@H]([NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)c2c1c(F)ccc2O ZINC000793573369 1279771449 /nfs/dbraw/zinc/77/14/49/1279771449.db2.gz QCWYDWJDQOFGGV-ZSEWYUTFSA-N 1 0 325.424 2.827 10 10 EFCERO CC/C=C(/F)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC001144592838 1279884225 /nfs/dbraw/zinc/88/42/25/1279884225.db2.gz UKSWODKNSQRAEL-PJQLUOCWSA-N 1 0 337.414 2.847 10 10 EFCERO COc1ccc(O)c([C@H](C)[NH2+]Cc2cnnn2Cc2ccccc2)c1 ZINC000845970859 1279946572 /nfs/dbraw/zinc/94/65/72/1279946572.db2.gz DKESJUWDOKFMOM-AWEZNQCLSA-N 1 0 338.411 2.891 10 10 EFCERO COc1ccc(O)c([C@H](C)[NH2+]C[C@@]2(CO)CCc3ccccc32)c1 ZINC000846012355 1279976810 /nfs/dbraw/zinc/97/68/10/1279976810.db2.gz YPYXBTSUONFFLM-VBKZILBWSA-N 1 0 327.424 2.928 10 10 EFCERO CC(C)C[N@H+](C)CCCNCc1ccc(N2CCOCC2)c(F)c1 ZINC000845996907 1279988703 /nfs/dbraw/zinc/98/87/03/1279988703.db2.gz TWLIRPDBVHUHAM-UHFFFAOYSA-N 1 0 337.483 2.730 10 10 EFCERO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000846047036 1280000587 /nfs/dbraw/zinc/00/05/87/1280000587.db2.gz HURBENGOJQJZGF-ZWKOTPCHSA-N 1 0 346.496 2.966 10 10 EFCERO CC[C@@H]([NH2+]CC[C@]1(O)CCOC1)c1ccc(C(F)(F)F)cc1O ZINC000846050755 1280001205 /nfs/dbraw/zinc/00/12/05/1280001205.db2.gz YRDKZIHIKHADRM-HIFRSBDPSA-N 1 0 333.350 2.993 10 10 EFCERO CN(C)c1ccc(/C=C\C[NH+]2CCC(Cn3cnnc3)CC2)cc1 ZINC000846054531 1280004115 /nfs/dbraw/zinc/00/41/15/1280004115.db2.gz AKLXGZQGXYSMQF-ARJAWSKDSA-N 1 0 325.460 2.770 10 10 EFCERO COCC[N@@H+]1CCN(Cc2cc(Cl)cc(OC)c2O)C(C)(C)C1 ZINC000846102433 1280034850 /nfs/dbraw/zinc/03/48/50/1280034850.db2.gz GOZDOHNULJGLDZ-UHFFFAOYSA-N 1 0 342.867 2.597 10 10 EFCERO O=[S@@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(OCc2ccccc2)cc1O ZINC000846103598 1280035669 /nfs/dbraw/zinc/03/56/69/1280035669.db2.gz RVHSFKVKZXSCCS-READRUSDSA-N 1 0 343.448 2.676 10 10 EFCERO COCC[N@@H+]1CCN(C/C=C\c2ccc(N(C)C)cc2)C(C)(C)C1 ZINC000846103377 1280035869 /nfs/dbraw/zinc/03/58/69/1280035869.db2.gz OYBPKNFNAVCUJM-SREVYHEPSA-N 1 0 331.504 2.808 10 10 EFCERO COc1cccc([C@@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)N(C)C)c1O ZINC000846142775 1280050903 /nfs/dbraw/zinc/05/09/03/1280050903.db2.gz BBJVNBLZYUADEC-PBHICJAKSA-N 1 0 342.439 2.751 10 10 EFCERO COc1cccc([C@H](C)[NH2+][C@H](Cc2ccccc2)C(=O)N(C)C)c1O ZINC000846142782 1280050922 /nfs/dbraw/zinc/05/09/22/1280050922.db2.gz BBJVNBLZYUADEC-WMLDXEAASA-N 1 0 342.439 2.751 10 10 EFCERO CCN(CC)c1ccc(CNC(=O)NCCC2(C[NH3+])CC2)cc1F ZINC000846145191 1280052211 /nfs/dbraw/zinc/05/22/11/1280052211.db2.gz MBADAAJKHMETMP-UHFFFAOYSA-N 1 0 336.455 2.600 10 10 EFCERO COc1cccc([C@@H](C)[NH2+]C[C@@]2(CO)CCc3ccccc32)c1O ZINC000846182589 1280061820 /nfs/dbraw/zinc/06/18/20/1280061820.db2.gz WUPZTYXEAGNWAP-JLTOFOAXSA-N 1 0 327.424 2.928 10 10 EFCERO CCN(CC)c1ccc(CNC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)cc1F ZINC000846672254 1280392616 /nfs/dbraw/zinc/39/26/16/1280392616.db2.gz FBISZTWIWUOOCQ-DLBZAZTESA-N 1 0 333.451 2.819 10 10 EFCERO C[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(N(C)C)cc1 ZINC000872119087 1287435190 /nfs/dbraw/zinc/43/51/90/1287435190.db2.gz BFQQFNILCPMOMC-HILARFPUSA-N 1 0 336.501 2.759 10 10 EFCERO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@H](O)c1ccccc1 ZINC000808443750 1281714090 /nfs/dbraw/zinc/71/40/90/1281714090.db2.gz BJHHTMGLKTXNEB-QRWLVFNGSA-N 1 0 344.430 2.874 10 10 EFCERO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](CNC(=O)CC(F)(F)F)C2)c1 ZINC000809689950 1282377002 /nfs/dbraw/zinc/37/70/02/1282377002.db2.gz FSIADXIVVJDOPB-CYBMUJFWSA-N 1 0 344.377 2.981 10 10 EFCERO COc1cccc(C[NH2+]Cc2ccc3c(c2)sc(=O)n3C)c1O ZINC000809740216 1282439739 /nfs/dbraw/zinc/43/97/39/1282439739.db2.gz PWNBDAKWBAXHSF-UHFFFAOYSA-N 1 0 330.409 2.604 10 10 EFCERO CN1CCCc2cc(CNC(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)ccc21 ZINC000810266599 1283083057 /nfs/dbraw/zinc/08/30/57/1283083057.db2.gz QYKCWOWDXRQEDI-FQEVSTJZSA-N 1 0 347.478 2.898 10 10 EFCERO COCC[C@@H](COC)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000811517417 1284366687 /nfs/dbraw/zinc/36/66/87/1284366687.db2.gz RVBOMBDCXBQWAI-ZDUSSCGKSA-N 1 0 334.382 2.913 10 10 EFCERO Cc1nccnc1NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000811824581 1284686087 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Cc1cc(Cl)cc(C[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)c1O ZINC000816667887 1288249119 /nfs/dbraw/zinc/24/91/19/1288249119.db2.gz YRUKGWAQUPRHRL-SJORKVTESA-N 1 0 325.836 2.764 10 10 EFCERO CNC(=O)[C@H]1CC[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000817370502 1288563341 /nfs/dbraw/zinc/56/33/41/1288563341.db2.gz PUTKFLLKBAWWDK-LBPRGKRZSA-N 1 0 328.412 2.585 10 10 EFCERO CNC(=O)[C@H]1CC[N@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000817415281 1288592073 /nfs/dbraw/zinc/59/20/73/1288592073.db2.gz QFKFMDNDMJXZDI-FQEVSTJZSA-N 1 0 349.478 2.817 10 10 EFCERO c1ccc(NCCC[NH2+]Cc2ccc(N3CCOCC3)cc2)nc1 ZINC001177932008 1288604385 /nfs/dbraw/zinc/60/43/85/1288604385.db2.gz GHRKLVZGBFCSKZ-UHFFFAOYSA-N 1 0 326.444 2.510 10 10 EFCERO COc1ccc(N2CCN(CCC[NH2+][C@H]3CC[C@H]3SC)CC2)cc1 ZINC000822451547 1288993302 /nfs/dbraw/zinc/99/33/02/1288993302.db2.gz LPWZEYPZDYCLBD-RBUKOAKNSA-N 1 0 349.544 2.691 10 10 EFCERO CC[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000823162365 1289233024 /nfs/dbraw/zinc/23/30/24/1289233024.db2.gz VMAQSIZBRWLCLC-HZPDHXFCSA-N 1 0 333.451 2.630 10 10 EFCERO Cc1cc(CC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c(C)n1-c1ccccc1 ZINC000823665348 1289406099 /nfs/dbraw/zinc/40/60/99/1289406099.db2.gz YZAILQRPRORJOK-GOSISDBHSA-N 1 0 337.467 2.990 10 10 EFCERO COc1ccc(N2CCN(CC[NH2+][C@@H](C)Cc3ccoc3)CC2)cc1 ZINC000823716629 1289427340 /nfs/dbraw/zinc/42/73/40/1289427340.db2.gz MFJVCCGPDBZKIY-KRWDZBQOSA-N 1 0 343.471 2.631 10 10 EFCERO COc1ccc(N2CCN(CC[NH2+]Cc3csc(C)c3)CC2)cc1 ZINC000823716997 1289428717 /nfs/dbraw/zinc/42/87/17/1289428717.db2.gz ZSDFYEGMTIVEPM-UHFFFAOYSA-N 1 0 345.512 2.977 10 10 EFCERO C[NH+](C)CCCOc1cccc(NC(=O)c2cccc(O)c2O)c1 ZINC001136810458 1289514915 /nfs/dbraw/zinc/51/49/15/1289514915.db2.gz CGCRQHJRGGZEPJ-UHFFFAOYSA-N 1 0 330.384 2.681 10 10 EFCERO Cc1ccc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C(C)C)c(O)c1O ZINC001180534984 1289553344 /nfs/dbraw/zinc/55/33/44/1289553344.db2.gz VKNWWKLMQJAIFE-ZBFHGGJFSA-N 1 0 332.444 2.741 10 10 EFCERO O=S1(=O)C[C@H](C[NH2+]Cc2c(O)cccc2Cl)c2ccccc21 ZINC000824516714 1289679181 /nfs/dbraw/zinc/67/91/81/1289679181.db2.gz NKXHUSPJEFAHCB-NSHDSACASA-N 1 0 337.828 2.706 10 10 EFCERO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1cc(Br)cc(OC)c1O ZINC000824635353 1289732383 /nfs/dbraw/zinc/73/23/83/1289732383.db2.gz HKLBZGPCZKMHJN-GWCFXTLKSA-N 1 0 344.249 2.756 10 10 EFCERO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1CC12CC2 ZINC000817549910 1289957366 /nfs/dbraw/zinc/95/73/66/1289957366.db2.gz PFIFBZOGBMTOKK-HUUCEWRRSA-N 1 0 334.847 2.926 10 10 EFCERO COc1ccc(N2CC[C@H]([NH2+]Cc3cc(OC)cnc3F)C2)cc1 ZINC000877621646 1291295579 /nfs/dbraw/zinc/29/55/79/1291295579.db2.gz YYBATQIVHSHBLC-AWEZNQCLSA-N 1 0 331.391 2.606 10 10 EFCERO CNC(=O)C[C@H]([NH2+][C@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC000795849527 1291553802 /nfs/dbraw/zinc/55/38/02/1291553802.db2.gz KXFDUFVEBSTQCL-DYVFJYSZSA-N 1 0 328.412 2.929 10 10 EFCERO CNC(=O)C[C@H]([NH2+][C@@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC000795849528 1291554336 /nfs/dbraw/zinc/55/43/36/1291554336.db2.gz KXFDUFVEBSTQCL-GUYCJALGSA-N 1 0 328.412 2.929 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2cscn2)cc1C ZINC001277770192 1312868961 /nfs/dbraw/zinc/86/89/61/1312868961.db2.gz ATBBPRKZIVRCIU-ZDUSSCGKSA-N 1 0 333.457 2.710 10 10 EFCERO Cc1cc(O)c(C[N@@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)cc1Cl ZINC000826043021 1291686761 /nfs/dbraw/zinc/68/67/61/1291686761.db2.gz CSVYNJBWZGSLMR-XPKDYRNWSA-N 1 0 325.836 2.716 10 10 EFCERO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Br)cc1O ZINC000826064223 1291761724 /nfs/dbraw/zinc/76/17/24/1291761724.db2.gz GPHUIWGYPVVEHD-OLZOCXBDSA-N 1 0 342.233 2.976 10 10 EFCERO COC(=O)[C@H]1CSCC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000826124064 1292268164 /nfs/dbraw/zinc/26/81/64/1292268164.db2.gz ZYJVNGFNOUEPJE-GFCCVEGCSA-N 1 0 329.849 2.692 10 10 EFCERO CC[C@@H](C)C[NH2+]CCCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001276412260 1312943521 /nfs/dbraw/zinc/94/35/21/1312943521.db2.gz XTXTWHFWNJDIPJ-CYBMUJFWSA-N 1 0 333.436 2.947 10 10 EFCERO C[C@H](CC(F)(F)F)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881852687 1293029374 /nfs/dbraw/zinc/02/93/74/1293029374.db2.gz BLULWKPAPYIZIM-CYBMUJFWSA-N 1 0 343.393 2.643 10 10 EFCERO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@H](C)c2cc(OC)ccc2O)C1 ZINC000775582705 1293217377 /nfs/dbraw/zinc/21/73/77/1293217377.db2.gz XXAZRXZHNHISAB-MCIONIFRSA-N 1 0 336.432 2.918 10 10 EFCERO CCOC(=O)N(C)C1CC[NH+](Cc2cc(OCC)ccc2O)CC1 ZINC000130871433 1293445547 /nfs/dbraw/zinc/44/55/47/1293445547.db2.gz BNEOLTRXHSOLKH-UHFFFAOYSA-N 1 0 336.432 2.844 10 10 EFCERO CC(=O)c1cc(Cl)cc(CN(CCC[NH3+])CC(F)(F)F)c1O ZINC000883443500 1293595817 /nfs/dbraw/zinc/59/58/17/1293595817.db2.gz UCAQSMXZUIJWGV-UHFFFAOYSA-N 1 0 338.757 2.961 10 10 EFCERO CC[C@@H]([NH2+]CC[S@@](=O)CC)c1cc(Br)ccc1O ZINC000132474286 1293665491 /nfs/dbraw/zinc/66/54/91/1293665491.db2.gz RJYYPKROTPFGBI-KZULUSFZSA-N 1 0 334.279 2.964 10 10 EFCERO Cc1cc(Cl)cc(CN2CCc3ccccc3[C@H]2C(N)=O)c1O ZINC000775665628 1293976110 /nfs/dbraw/zinc/97/61/10/1293976110.db2.gz GWGRHPWHOKABCT-INIZCTEOSA-N 1 0 330.815 2.939 10 10 EFCERO C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC[N@@H+]1C1CCCC1 ZINC001197809260 1294725255 /nfs/dbraw/zinc/72/52/55/1294725255.db2.gz RJIDKQFSEJRYNF-GOSISDBHSA-N 1 0 343.515 2.972 10 10 EFCERO Cc1cc(C(=O)NOCC[NH+](C)C)c(C)n1-c1ccc(Cl)cc1 ZINC001299344614 1295259103 /nfs/dbraw/zinc/25/91/03/1295259103.db2.gz VEAITCZNEKWIBU-UHFFFAOYSA-N 1 0 335.835 2.971 10 10 EFCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCC[C@H]2OC)cc1C ZINC001274141516 1295501558 /nfs/dbraw/zinc/50/15/58/1295501558.db2.gz IMBYYACZCVMODF-PKVWGGKHSA-N 1 0 346.471 2.581 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2ncccc2C)cc1C ZINC001274716360 1296148342 /nfs/dbraw/zinc/14/83/42/1296148342.db2.gz QJFNZUJAYQAORX-OAHLLOKOSA-N 1 0 327.428 2.615 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2ccsn2)cc1C ZINC001274737283 1296157716 /nfs/dbraw/zinc/15/77/16/1296157716.db2.gz ZXQOXQPHGCAYSP-ZDUSSCGKSA-N 1 0 333.457 2.758 10 10 EFCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)c2scnc2C)cc1C ZINC001273872479 1296531640 /nfs/dbraw/zinc/53/16/40/1296531640.db2.gz YZVNDVGLVLJVOR-SNAWJCMRSA-N 1 0 345.468 2.844 10 10 EFCERO C[C@@H](NC(=O)N[C@H](CC[NH+](C)C)c1cccnc1)c1ccccc1O ZINC000925917968 1296886278 /nfs/dbraw/zinc/88/62/78/1296886278.db2.gz AMAQHHRJARWKLI-RHSMWYFYSA-N 1 0 342.443 2.840 10 10 EFCERO CCN(Cc1cc(Br)ccc1O)C[C@H]([NH3+])CC(F)F ZINC000903897295 1313373254 /nfs/dbraw/zinc/37/32/54/1313373254.db2.gz GUMBDOPAHXYRLM-LLVKDONJSA-N 1 0 337.208 2.959 10 10 EFCERO COc1ccc(N(C)Cc2cnnn2[C@H]2CCC[NH2+]C2)cc1Cl ZINC000903903868 1313384216 /nfs/dbraw/zinc/38/42/16/1313384216.db2.gz XRXKPMPUNRLYET-ZDUSSCGKSA-N 1 0 335.839 2.501 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)C[C@@H]3CCCO3)C2)cc1C ZINC001488714480 1297723525 /nfs/dbraw/zinc/72/35/25/1297723525.db2.gz AOYQHPIGFLNKFU-KSZLIROESA-N 1 0 346.471 2.557 10 10 EFCERO CCN(CC)c1ccc(CN[C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000903973794 1313521328 /nfs/dbraw/zinc/52/13/28/1313521328.db2.gz IAFGDSSMEXBEJD-SFHVURJKSA-N 1 0 331.504 2.781 10 10 EFCERO Oc1ccccc1C[N@H+](CCO[C@H]1CC1(F)F)C[C@H]1CCCO1 ZINC000851841528 1299428948 /nfs/dbraw/zinc/42/89/48/1299428948.db2.gz VHZFAPANEPWUET-ZBFHGGJFSA-N 1 0 327.371 2.797 10 10 EFCERO CCOP(=O)(OCC)[C@H](O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000851899819 1299455822 /nfs/dbraw/zinc/45/58/22/1299455822.db2.gz HDVPHTBVECHDFE-NHYWBVRUSA-N 1 0 347.348 2.636 10 10 EFCERO COc1cc(N2CC[NH+](C[C@@H]3C[C@H]4C[C@H]4C3)CC2)cc(OC)c1OC ZINC000851936767 1299475165 /nfs/dbraw/zinc/47/51/65/1299475165.db2.gz WAZWAAXYFMHGBC-MUJYYYPQSA-N 1 0 346.471 2.881 10 10 EFCERO COC1CCN(c2ccc(CN3CCc4nccnc4C3)cc2)CC1 ZINC000852698798 1299818854 /nfs/dbraw/zinc/81/88/54/1299818854.db2.gz ZCIGYXUEWCVCFC-UHFFFAOYSA-N 1 0 338.455 2.650 10 10 EFCERO Cc1cc(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c(C)n1-c1cccc(C)c1 ZINC000852869767 1299920682 /nfs/dbraw/zinc/92/06/82/1299920682.db2.gz LFOAPNXYJTVLKC-QZTJIDSGSA-N 1 0 329.419 2.914 10 10 EFCERO Cc1cc(CC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c(C)n1-c1ccccc1 ZINC000853302850 1300079145 /nfs/dbraw/zinc/07/91/45/1300079145.db2.gz KDWMQGXISUJPIK-MJGOQNOKSA-N 1 0 337.467 2.705 10 10 EFCERO CC[C@H](NCC12CC(C1)C[NH2+]2)c1cc(Br)ccc1O ZINC000854228225 1300478646 /nfs/dbraw/zinc/47/86/46/1300478646.db2.gz SKQDBDWPFDZIFA-IQYSWEBNSA-N 1 0 325.250 2.947 10 10 EFCERO CC[C@@H](NCC12CC(C1)C[NH2+]2)c1cc(Br)ccc1O ZINC000854228228 1300479032 /nfs/dbraw/zinc/47/90/32/1300479032.db2.gz SKQDBDWPFDZIFA-VROQLPPWSA-N 1 0 325.250 2.947 10 10 EFCERO C[C@H](NCC12CC(C1)C[NH2+]2)c1ccc(N2CCOCC2)cc1Cl ZINC000854228285 1300479305 /nfs/dbraw/zinc/47/93/05/1300479305.db2.gz UIQLJBZSSVZRCA-VNSJNIRKSA-N 1 0 335.879 2.579 10 10 EFCERO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000861698888 1302194111 /nfs/dbraw/zinc/19/41/11/1302194111.db2.gz JRGGXHHYXGOIQV-MAUKXSAKSA-N 1 0 330.476 2.569 10 10 EFCERO COC(=O)C1=CC[C@@H]([NH2+]Cc2c(O)cccc2Br)C1 ZINC000862466722 1302389168 /nfs/dbraw/zinc/38/91/68/1302389168.db2.gz IZTWEQQIGIHORZ-SNVBAGLBSA-N 1 0 326.190 2.506 10 10 EFCERO COc1cc(O)c(C[NH2+]C2(c3cc(C)no3)CCOCC2)cc1OC ZINC000862542632 1302410476 /nfs/dbraw/zinc/41/04/76/1302410476.db2.gz VXVHUQJYWGCXDU-UHFFFAOYSA-N 1 0 348.399 2.501 10 10 EFCERO COC(=O)[C@]1(OC)CC[N@H+](Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000863297376 1302580799 /nfs/dbraw/zinc/58/07/99/1302580799.db2.gz ZLKZNFCEGNZZSY-IBGZPJMESA-N 1 0 335.444 2.762 10 10 EFCERO COc1ccc(-n2c(C)cc(C(=O)NC[C@@H]3CCC[N@@H+]3C)c2C)cc1 ZINC000863506647 1302636064 /nfs/dbraw/zinc/63/60/64/1302636064.db2.gz HMOBGDKCJVDZLW-KRWDZBQOSA-N 1 0 341.455 2.927 10 10 EFCERO c1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)n(CC2CCC2)n1 ZINC000865427850 1303250916 /nfs/dbraw/zinc/25/09/16/1303250916.db2.gz KTXYITGPQSRWBD-UHFFFAOYSA-N 1 0 340.471 2.810 10 10 EFCERO CC[NH+]1CCN(c2ccc(CNCc3cc(C)no3)cc2F)CC1 ZINC000865457670 1303265789 /nfs/dbraw/zinc/26/57/89/1303265789.db2.gz ZZZKRWZEOMVIKW-UHFFFAOYSA-N 1 0 332.423 2.554 10 10 EFCERO COc1ccc(N2CCC([NH2+][C@H]3[C@@H]4OC[C@@H]5C[C@H]3C[C@@H]54)CC2)cc1 ZINC000865697502 1303369783 /nfs/dbraw/zinc/36/97/83/1303369783.db2.gz YMWUCKXEOVJTHL-UVPINQTDSA-N 1 0 328.456 2.677 10 10 EFCERO c1cc(N2CCOCC2)ccc1C[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000865786735 1303399997 /nfs/dbraw/zinc/39/99/97/1303399997.db2.gz ACOHSVIAAJQDFS-ICSRJNTNSA-N 1 0 330.472 2.676 10 10 EFCERO CC[C@H]1C[N@H+](C)CCCN1c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000865925736 1303456728 /nfs/dbraw/zinc/45/67/28/1303456728.db2.gz MDHCONRPLLPSOA-HEWZJLJBSA-N 1 0 347.415 2.702 10 10 EFCERO CC[C@@H]([NH2+]Cc1nnc(C2CCOCC2)[nH]1)c1ccc(C)cc1O ZINC000866440257 1303640681 /nfs/dbraw/zinc/64/06/81/1303640681.db2.gz NMOLFGKOCOJYLR-OAHLLOKOSA-N 1 0 330.432 2.954 10 10 EFCERO CC(C)(C)OC(=O)CN1CCC([NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000866528193 1303673759 /nfs/dbraw/zinc/67/37/59/1303673759.db2.gz WFCGIDZGZFYNLD-MRXNPFEDSA-N 1 0 346.471 2.775 10 10 EFCERO C[C@@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1ccc2ccccc2c1O ZINC000866573617 1303693401 /nfs/dbraw/zinc/69/34/01/1303693401.db2.gz XQZSRMWPJUDVNJ-GFCCVEGCSA-N 1 0 336.457 2.511 10 10 EFCERO Cc1cc(C(=O)CN2CC[C@H]3C[N@@H+](C)C[C@@H]32)c(C)n1-c1ccccc1 ZINC000794954169 1303806342 /nfs/dbraw/zinc/80/63/42/1303806342.db2.gz MOPOKQVBTOHVLK-PXNSSMCTSA-N 1 0 337.467 2.913 10 10 EFCERO Cc1cc(C(=O)CN2CC[C@H]3C[N@@H+](C)C[C@H]32)c(C)n1-c1ccccc1 ZINC000794954167 1303806748 /nfs/dbraw/zinc/80/67/48/1303806748.db2.gz MOPOKQVBTOHVLK-FXAWDEMLSA-N 1 0 337.467 2.913 10 10 EFCERO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870857338 1305632953 /nfs/dbraw/zinc/63/29/53/1305632953.db2.gz IHYLKDUIPNSEPX-UWVAXJGDSA-N 1 0 327.472 2.763 10 10 EFCERO Cc1cc(CCNC(=O)C23CC[NH+](CC2)C3)c(C)n1-c1ccccc1 ZINC000900033423 1307616590 /nfs/dbraw/zinc/61/65/90/1307616590.db2.gz VVFNUBDSJZGXTN-UHFFFAOYSA-N 1 0 337.467 2.849 10 10 EFCERO O=C(NCCCSc1nccs1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000900683914 1308524880 /nfs/dbraw/zinc/52/48/80/1308524880.db2.gz TULMGHPIYUZAJM-QWHCGFSZSA-N 1 0 325.503 2.758 10 10 EFCERO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)COC(C)C)C2)cc1C ZINC001278357893 1314256787 /nfs/dbraw/zinc/25/67/87/1314256787.db2.gz WCPFBMASOFVNRY-DOTOQJQBSA-N 1 0 334.460 2.508 10 10 EFCERO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)COC(C)C)C2)cc1C ZINC001278357894 1314257207 /nfs/dbraw/zinc/25/72/07/1314257207.db2.gz WCPFBMASOFVNRY-NVXWUHKLSA-N 1 0 334.460 2.508 10 10 EFCERO COc1ccc(N2CCN(CC[NH2+][C@@H]3CC[C@@H]3C3CCC3)CC2)cc1 ZINC000800969616 1308762674 /nfs/dbraw/zinc/76/26/74/1308762674.db2.gz SKYRKSUNFZJXLX-NHCUHLMSSA-N 1 0 343.515 2.986 10 10 EFCERO O=S1(=O)CCN(c2ccc(C[NH2+][C@H]3CC[C@H]3C3CCC3)cc2)CC1 ZINC000800970517 1308764218 /nfs/dbraw/zinc/76/42/18/1308764218.db2.gz BIDFOZSRGQUZLK-OALUTQOASA-N 1 0 348.512 2.590 10 10 EFCERO CCOCCC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001491243863 1311180460 /nfs/dbraw/zinc/18/04/60/1311180460.db2.gz MUAIYFRFCFJUNY-GOSISDBHSA-N 1 0 348.487 2.901 10 10 EFCERO Cc1cc(C(=O)NCC[N@@H+]2CCC(C)(C)C2)c(C)n1-c1ccccn1 ZINC001159013127 1311433546 /nfs/dbraw/zinc/43/35/46/1311433546.db2.gz YDHGJUCTURPLIO-UHFFFAOYSA-N 1 0 340.471 2.951 10 10 EFCERO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H](F)C(C)C)C2)cc1C ZINC001277032966 1311505963 /nfs/dbraw/zinc/50/59/63/1311505963.db2.gz ITXAYTCQRRXPSH-JFIYKMOQSA-N 1 0 336.451 2.982 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@H]3CCC[C@@H]3OC)CC2)cc1C ZINC001277102063 1311618239 /nfs/dbraw/zinc/61/82/39/1311618239.db2.gz PPIXCVYAOUTPLN-WMZOPIPTSA-N 1 0 346.471 2.557 10 10 EFCERO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)c2cc(C)no2)cc1C ZINC001277121609 1311654470 /nfs/dbraw/zinc/65/44/70/1311654470.db2.gz GZWPWZOEJITMMV-AWEZNQCLSA-N 1 0 345.443 2.988 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)C3(CCF)CC3)CC2)cc1C ZINC001277125393 1311662466 /nfs/dbraw/zinc/66/24/66/1311662466.db2.gz OONGXIIFRQRYFN-UHFFFAOYSA-N 1 0 334.435 2.882 10 10 EFCERO COc1ccc(N2CC[C@H]([NH2+][C@H]3CC[C@@H]4[C@H]5OCC[C@H]5[C@@H]43)C2)cc1 ZINC000903046797 1312308111 /nfs/dbraw/zinc/30/81/11/1312308111.db2.gz AWNRDJIOFSORHD-INTGNEEUSA-N 1 0 328.456 2.677 10 10 EFCERO CCCn1cc([C@H](C)[NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)nn1 ZINC000903046960 1312308879 /nfs/dbraw/zinc/30/88/79/1312308879.db2.gz DOGDHWOIZKVUAT-LSDHHAIUSA-N 1 0 329.448 2.626 10 10 EFCERO OC1CCN(c2ccc(C[NH2+][C@H]3CC[C@@H]4[C@H]5OCC[C@H]5[C@@H]43)cc2)CC1 ZINC000903056713 1312314805 /nfs/dbraw/zinc/31/48/05/1312314805.db2.gz RJYRHXKBAXBVAR-ALGQRKQJSA-N 1 0 342.483 2.551 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2COC[C@H]2C)c1O ZINC000903393661 1312628216 /nfs/dbraw/zinc/62/82/16/1312628216.db2.gz QZQFRNFJTQDEAW-VDDIYKPWSA-N 1 0 330.222 2.849 10 10 EFCERO CC[C@H](F)C[NH2+]C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001276711163 1314689015 /nfs/dbraw/zinc/68/90/15/1314689015.db2.gz DZQMTDWVSQAHHR-ZFWWWQNUSA-N 1 0 349.410 2.695 10 10 EFCERO COc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC000179473420 1314703006 /nfs/dbraw/zinc/70/30/06/1314703006.db2.gz LIHHMUVRYJMWAZ-AWEZNQCLSA-N 1 0 336.432 2.842 10 10 EFCERO COc1ccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)CC(C)(C)O)C2)cc1C ZINC001278559172 1315191664 /nfs/dbraw/zinc/19/16/64/1315191664.db2.gz ODPYCJCYWKAYPB-IRXDYDNUSA-N 1 0 348.487 2.539 10 10 EFCERO Oc1cc(Br)ccc1C[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000827151761 1315602001 /nfs/dbraw/zinc/60/20/01/1315602001.db2.gz JFYNCXJOSGONGW-HNNXBMFYSA-N 1 0 326.234 2.892 10 10 EFCERO C[C@H]1CCCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC001256236230 1315921776 /nfs/dbraw/zinc/92/17/76/1315921776.db2.gz DRTUDYHVSUUDPI-YJBOKZPZSA-N 1 0 332.492 2.797 10 10 EFCERO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)N(C)C)C2)cc1 ZINC000827544520 1315997735 /nfs/dbraw/zinc/99/77/35/1315997735.db2.gz DDIVHKZEKZMWCB-GOSISDBHSA-N 1 0 332.492 2.721 10 10 EFCERO CN1CCCc2cc(CNC(=O)[C@@H]3CCCCCC[C@H]3[NH3+])ccc21 ZINC000827913886 1316032225 /nfs/dbraw/zinc/03/22/25/1316032225.db2.gz RJGHYGXFOAPUFL-QZTJIDSGSA-N 1 0 329.488 2.983 10 10 EFCERO CC[C@H](CNC(=O)C1CCC(O)CC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001318520473 1328627842 /nfs/dbraw/zinc/62/78/42/1328627842.db2.gz ZEYLBNQIFBBDHM-LXPRWKDFSA-N 1 0 348.487 2.539 10 10 EFCERO CC[C@@H](CNC(=O)c1conc1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001318566288 1328641090 /nfs/dbraw/zinc/64/10/90/1328641090.db2.gz BJBSDBALFGRISC-HNNXBMFYSA-N 1 0 331.416 2.598 10 10 EFCERO C[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@H](C[NH2+]CCF)C1 ZINC001264568207 1316632668 /nfs/dbraw/zinc/63/26/68/1316632668.db2.gz SJGPQCLUXXCNEW-DOMZBBRYSA-N 1 0 349.410 2.649 10 10 EFCERO COC[C@@H](C)[C@@H](C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001265481665 1316811952 /nfs/dbraw/zinc/81/19/52/1316811952.db2.gz QTWRFZGMFGPYMU-JOCBIADPSA-N 1 0 348.487 2.659 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CC(C)(F)F)C2)cc1C ZINC001265494349 1316813440 /nfs/dbraw/zinc/81/34/40/1316813440.db2.gz NCTQYZYHCUMRRM-HDJSIYSDSA-N 1 0 326.387 2.786 10 10 EFCERO CCO[C@H](C)C(=O)NC1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001265729905 1316867754 /nfs/dbraw/zinc/86/77/54/1316867754.db2.gz XNDIPAVFFGBHAL-FAEJEUNOSA-N 1 0 348.487 2.946 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2cccnc2C)cc1C ZINC001265816374 1316882498 /nfs/dbraw/zinc/88/24/98/1316882498.db2.gz UISITDHEZLSBRJ-CQSZACIVSA-N 1 0 327.428 2.615 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)Cc2csc(C)n2)cc1C ZINC001265861053 1316896012 /nfs/dbraw/zinc/89/60/12/1316896012.db2.gz HADNFSYBVMZDPX-CYBMUJFWSA-N 1 0 347.484 2.606 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)C[C@@H]2CCCCO2)cc1C ZINC001266136626 1317085875 /nfs/dbraw/zinc/08/58/75/1317085875.db2.gz GBMRPMWYGQGYNS-WMZOPIPTSA-N 1 0 348.487 2.947 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@@]2(C)CCCOC2)cc1C ZINC001266181203 1317128100 /nfs/dbraw/zinc/12/81/00/1317128100.db2.gz XKTJHDNIOKUVTI-UZLBHIALSA-N 1 0 348.487 2.805 10 10 EFCERO CC[NH2+]C1(CC)CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001281049958 1317997997 /nfs/dbraw/zinc/99/79/97/1317997997.db2.gz PXYRQNNLBJYDKM-UHFFFAOYSA-N 1 0 331.420 2.843 10 10 EFCERO CCCCC(=O)N1CCC[C@@](CO)([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001281103905 1318014004 /nfs/dbraw/zinc/01/40/04/1318014004.db2.gz IJTSPUSGWGPLTR-HXUWFJFHSA-N 1 0 348.487 2.637 10 10 EFCERO CCO[C@H](C)C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001318944077 1328746986 /nfs/dbraw/zinc/74/69/86/1328746986.db2.gz XNDIPAVFFGBHAL-KBAYOESNSA-N 1 0 348.487 2.946 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@@H]2CCC2(F)F)cc1C ZINC001319202314 1328806632 /nfs/dbraw/zinc/80/66/32/1328806632.db2.gz OMVQMHYEGQTZDV-DOMZBBRYSA-N 1 0 340.414 2.891 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C2CC2)N(C)C(=O)C(C)(F)F)cc1C ZINC001283480636 1319742191 /nfs/dbraw/zinc/74/21/91/1319742191.db2.gz NTQBZZZPQDUUOD-HNNXBMFYSA-N 1 0 340.414 2.985 10 10 EFCERO CC[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001319503593 1328903942 /nfs/dbraw/zinc/90/39/42/1328903942.db2.gz VMBZIMKRIWHFPO-JQHSSLGASA-N 1 0 348.487 2.755 10 10 EFCERO CC[N@@H+]1CCCC[C@@H]1Cn1c(C)nnc1N(C)Cc1ccccc1O ZINC001296081193 1322850228 /nfs/dbraw/zinc/85/02/28/1322850228.db2.gz QNDNZFAGBLYPBP-QGZVFWFLSA-N 1 0 343.475 2.803 10 10 EFCERO O=C(NCc1ccc2c[nH+]cn2c1)c1cc2cc(O)c(O)cc2s1 ZINC001299122227 1323698533 /nfs/dbraw/zinc/69/85/33/1323698533.db2.gz XEFBYDOTQGXODT-UHFFFAOYSA-N 1 0 339.376 2.890 10 10 EFCERO COc1ccc(C(=O)NC[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)o1 ZINC001491617186 1323750709 /nfs/dbraw/zinc/75/07/09/1323750709.db2.gz DTAMFVBQKBSWGJ-ZDUSSCGKSA-N 1 0 332.400 2.513 10 10 EFCERO COCCCC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001491868930 1323969314 /nfs/dbraw/zinc/96/93/14/1323969314.db2.gz KRDPMTIOZVNPEL-ROUUACIJSA-N 1 0 348.487 2.947 10 10 EFCERO COCCCC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001491868929 1323969692 /nfs/dbraw/zinc/96/96/92/1323969692.db2.gz KRDPMTIOZVNPEL-QZTJIDSGSA-N 1 0 348.487 2.947 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2ncoc2C)cc1C ZINC001491994299 1324113859 /nfs/dbraw/zinc/11/38/59/1324113859.db2.gz YSVLKDMOHYSYMG-ZDUSSCGKSA-N 1 0 331.416 2.598 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)Cc2ccc[nH]2)cc1C ZINC001492126701 1324232918 /nfs/dbraw/zinc/23/29/18/1324232918.db2.gz GZZPUBKIEYOKSF-HNNXBMFYSA-N 1 0 329.444 2.559 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC001301036953 1324519575 /nfs/dbraw/zinc/51/95/75/1324519575.db2.gz AKVDISLBFQRYIX-HNNXBMFYSA-N 1 0 343.431 2.986 10 10 EFCERO CCc1nnc(N(C)Cc2ccccc2O)n1CC1([NH+](C)C)CCC1 ZINC001306081056 1324697255 /nfs/dbraw/zinc/69/72/55/1324697255.db2.gz UFTKPAXVKWHEFD-UHFFFAOYSA-N 1 0 343.475 2.667 10 10 EFCERO CCCC[N@@H+](Cc1ccccc1O)C[C@@H](O)CN(C)CC(F)(F)F ZINC001307722140 1324778091 /nfs/dbraw/zinc/77/80/91/1324778091.db2.gz QCBMAYXVPSNCFF-HNNXBMFYSA-N 1 0 348.409 2.849 10 10 EFCERO C[NH+]1CCN(c2ccc(CNC(=O)NC3(C)CCCCC3)cc2)CC1 ZINC001313211166 1325009280 /nfs/dbraw/zinc/00/92/80/1325009280.db2.gz AWORUTBUJRBEST-UHFFFAOYSA-N 1 0 344.503 2.960 10 10 EFCERO COc1ccc(C[NH2+]C2CC(CNC(=O)[C@@H](C)SC)C2)cc1C ZINC001316814155 1325167895 /nfs/dbraw/zinc/16/78/95/1325167895.db2.gz OIMXZSNVTNFSOB-IUDNXUCKSA-N 1 0 336.501 2.740 10 10 EFCERO CCO[C@@H](CC)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001317103397 1325571407 /nfs/dbraw/zinc/57/14/07/1325571407.db2.gz NQSVSMKXTNTMBF-BBWFWOEESA-N 1 0 334.460 2.556 10 10 EFCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)[C@H]2C[C@@H]2C(F)F)cc1C ZINC001321045508 1329336095 /nfs/dbraw/zinc/33/60/95/1329336095.db2.gz VZUYIEWFWVDNSZ-WCYDHSITSA-N 1 0 338.398 2.667 10 10 EFCERO CCCOCC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001317178943 1327693878 /nfs/dbraw/zinc/69/38/78/1327693878.db2.gz GMMPOKPEDWWIQB-SFHVURJKSA-N 1 0 348.487 2.901 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)N2CC[C@@H](C[NH2+]C/C=C/Cl)C2)cc1 ZINC001317353978 1327886291 /nfs/dbraw/zinc/88/62/91/1327886291.db2.gz IEURTUFRFPMYMI-JZPSKYGBSA-N 1 0 349.822 2.653 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2cscn2)cc1C ZINC001317385566 1327941877 /nfs/dbraw/zinc/94/18/77/1327941877.db2.gz BESSPWPPRQVLKU-CYBMUJFWSA-N 1 0 333.457 2.758 10 10 EFCERO CC[C@H](C)C[NH2+][C@@H](C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001317416983 1327967034 /nfs/dbraw/zinc/96/70/34/1327967034.db2.gz DPOKXNUQJVVURU-STQMWFEESA-N 1 0 333.436 2.993 10 10 EFCERO CCc1cccc(C(=O)N(C)CC[NH2+]Cc2ccc(OC)c(C)c2)n1 ZINC001317595121 1328174699 /nfs/dbraw/zinc/17/46/99/1328174699.db2.gz JBBWRQKWUYHAPC-UHFFFAOYSA-N 1 0 341.455 2.823 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H](C)c2ccco2)cc1C ZINC001321645468 1329401073 /nfs/dbraw/zinc/40/10/73/1329401073.db2.gz KZRSJDLOMYNECZ-HUUCEWRRSA-N 1 0 330.428 2.995 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2C[C@H]2c2ccco2)cc1C ZINC001321655118 1329401387 /nfs/dbraw/zinc/40/13/87/1329401387.db2.gz SISFGEZEXBLNTJ-DJIMGWMZSA-N 1 0 342.439 2.995 10 10 EFCERO CCc1nc(C(=O)N(C)CCC[NH2+]Cc2ccc(OC)c(C)c2)co1 ZINC001322472789 1329461115 /nfs/dbraw/zinc/46/11/15/1329461115.db2.gz PPMJAERBGZSQFV-UHFFFAOYSA-N 1 0 345.443 2.806 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)NCC2([NH2+]CC3CCCC3)CC2)cc1 ZINC001323624252 1329555248 /nfs/dbraw/zinc/55/52/48/1329555248.db2.gz KTBKXBDIMLDENA-UHFFFAOYSA-N 1 0 343.431 2.891 10 10 EFCERO CN(C)c1ncccc1C[NH2+]Cc1cc(Br)ccc1O ZINC001323745920 1329567263 /nfs/dbraw/zinc/56/72/63/1329567263.db2.gz OFSWPLPNRVVCKL-UHFFFAOYSA-N 1 0 336.233 2.906 10 10 EFCERO O=[S@@](CC[NH2+]Cc1ccc(N2CCCC2)cc1)CC(F)(F)F ZINC001327198224 1330441069 /nfs/dbraw/zinc/44/10/69/1330441069.db2.gz HLKSDCVOOFXURH-QFIPXVFZSA-N 1 0 334.407 2.687 10 10 EFCERO CC[C@H](F)C[NH2+][C@@H](C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001328459144 1330592814 /nfs/dbraw/zinc/59/28/14/1330592814.db2.gz MYDYWACGQXIHQP-AAEUAGOBSA-N 1 0 337.399 2.695 10 10 EFCERO COc1ccc(N2CC[C@@H]([NH2+]Cc3cccnc3N(C)C)C2)cc1 ZINC001328696717 1330616973 /nfs/dbraw/zinc/61/69/73/1330616973.db2.gz NGWHGBVNIRGDTI-MRXNPFEDSA-N 1 0 326.444 2.525 10 10 EFCERO Oc1cc(Br)ccc1C[NH+]1CCC(C2(O)CC2)CC1 ZINC001328762464 1330628116 /nfs/dbraw/zinc/62/81/16/1330628116.db2.gz LRBKTJRBCAMYBP-UHFFFAOYSA-N 1 0 326.234 2.892 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2cncs2)cc1C ZINC001328994567 1330654018 /nfs/dbraw/zinc/65/40/18/1330654018.db2.gz FYBOTCZJQSMVIA-OLZOCXBDSA-N 1 0 333.457 2.757 10 10 EFCERO Oc1cccc(Br)c1C[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC001329061140 1330662094 /nfs/dbraw/zinc/66/20/94/1330662094.db2.gz JTPYQLICCDDJQC-YWXMQNBFSA-N 1 0 326.234 2.748 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)NC2(C[NH2+]CCF)CCCCC2)cc1 ZINC001329860054 1330743516 /nfs/dbraw/zinc/74/35/16/1330743516.db2.gz AGLZBNZQRKPJBS-UHFFFAOYSA-N 1 0 349.410 2.841 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2cc(C)no2)cc1C ZINC001331385565 1330831009 /nfs/dbraw/zinc/83/10/09/1330831009.db2.gz FRVFQLPKTWCZEM-CQSZACIVSA-N 1 0 331.416 2.550 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2ccc(F)nc2)cc1C ZINC001331403498 1330833211 /nfs/dbraw/zinc/83/32/11/1330833211.db2.gz CRFABBGRQKWQNR-CQSZACIVSA-N 1 0 345.418 2.788 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H](OC)C2CCC2)cc1C ZINC001331514561 1330846206 /nfs/dbraw/zinc/84/62/06/1330846206.db2.gz BECZXXDNEUPPAZ-HNAYVOBHSA-N 1 0 348.487 2.755 10 10 EFCERO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2cc(C)cc(OC)c2O)C1 ZINC001331566389 1330854086 /nfs/dbraw/zinc/85/40/86/1330854086.db2.gz PHAPKTPLPYJWOL-KGLIPLIRSA-N 1 0 336.432 2.666 10 10 EFCERO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2cc(C)cc(OC)c2O)C1 ZINC001331566388 1330854199 /nfs/dbraw/zinc/85/41/99/1330854199.db2.gz PHAPKTPLPYJWOL-KBPBESRZSA-N 1 0 336.432 2.666 10 10 EFCERO COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2cc(C)cc(OC)c2O)C1 ZINC001331566393 1330854459 /nfs/dbraw/zinc/85/44/59/1330854459.db2.gz PHAPKTPLPYJWOL-ZIAGYGMSSA-N 1 0 336.432 2.666 10 10 EFCERO c1cc(N2CCCC2)ccc1C[NH2+][C@@H]1CCCN2CCSC[C@@H]12 ZINC001332319467 1330957384 /nfs/dbraw/zinc/95/73/84/1330957384.db2.gz VAENQLMJZTWSFD-MOPGFXCFSA-N 1 0 331.529 2.956 10 10 EFCERO CC(C)(C)[C@H](C[NH2+]CCF)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001332898216 1331036116 /nfs/dbraw/zinc/03/61/16/1331036116.db2.gz HNHHOWJBJMFZDR-ZDUSSCGKSA-N 1 0 337.399 2.553 10 10 EFCERO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)CCS1 ZINC001333519046 1331158702 /nfs/dbraw/zinc/15/87/02/1331158702.db2.gz JRNXWGNBOJDXBE-HOCLYGCPSA-N 1 0 337.508 2.951 10 10 EFCERO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)cc1 ZINC001347935712 1332786271 /nfs/dbraw/zinc/78/62/71/1332786271.db2.gz OTWAMOMBHURMGO-IVZVJUQRSA-N 1 0 327.472 2.756 10 10 EFCERO O=C(NCc1cccc(O)c1O)[C@@H]1CCCN1Cc1ccc(F)cc1 ZINC001348046756 1332795289 /nfs/dbraw/zinc/79/52/89/1332795289.db2.gz JVVYLSFXPYOHIT-INIZCTEOSA-N 1 0 344.386 2.518 10 10 EFCERO CCN(CC)c1ccc(CNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000847292422 1333493611 /nfs/dbraw/zinc/49/36/11/1333493611.db2.gz WQBARRPTQSRSIT-MAEOIBBWSA-N 1 0 332.492 2.672 10 10 EFCERO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000847386261 1333641506 /nfs/dbraw/zinc/64/15/06/1333641506.db2.gz XLJUNUCHYRHRAM-TXPKVOOTSA-N 1 0 346.519 2.631 10 10 EFCERO Cc1cc(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c(C)n1-c1ccccn1 ZINC000848293560 1334584973 /nfs/dbraw/zinc/58/49/73/1334584973.db2.gz QPKLLVRVEUIAOD-IYBDPMFKSA-N 1 0 326.444 2.559 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+]Cc2cnn(C)c2)c1O ZINC000848523435 1334772154 /nfs/dbraw/zinc/77/21/54/1334772154.db2.gz FJEPQJPLSHWTTQ-SECBINFHSA-N 1 0 340.221 2.748 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](C)N(C)C)c1O ZINC000848524333 1334772887 /nfs/dbraw/zinc/77/28/87/1334772887.db2.gz HWYKGUZPHUNJKL-UWVGGRQHSA-N 1 0 331.254 2.764 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CCCN2C)c1O ZINC000848526547 1334775246 /nfs/dbraw/zinc/77/52/46/1334775246.db2.gz AWGRHNOFLARXKM-ZYHUDNBSSA-N 1 0 343.265 2.908 10 10 EFCERO C[C@H]([NH2+]Cc1cnc(Cl)n1C)c1ccc(N2CCOCC2)cc1 ZINC000848531701 1334778128 /nfs/dbraw/zinc/77/81/28/1334778128.db2.gz RZLSLXSGKGMPDH-ZDUSSCGKSA-N 1 0 334.851 2.761 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2C=C[C@H](CO)C2)c1O ZINC000848532608 1334779924 /nfs/dbraw/zinc/77/99/24/1334779924.db2.gz JMQJNTWUPPUNDI-JFGNBEQYSA-N 1 0 342.233 2.751 10 10 EFCERO O=[N+]([O-])c1cc(C[NH2+]CCCN2CCC2)ccc1N1CCCCC1 ZINC000848545196 1334786663 /nfs/dbraw/zinc/78/66/63/1334786663.db2.gz BKWBRWBCLNLHFV-UHFFFAOYSA-N 1 0 332.448 2.771 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)CN(C)C)c1O ZINC000848550774 1334790241 /nfs/dbraw/zinc/79/02/41/1334790241.db2.gz WFCCWZVRHKLCSI-VHSXEESVSA-N 1 0 331.254 2.764 10 10 EFCERO O=C1O[C@@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)CN1C1CC1 ZINC000848577232 1334803448 /nfs/dbraw/zinc/80/34/48/1334803448.db2.gz CAYDLDUTUNTHRI-SFHVURJKSA-N 1 0 329.444 2.750 10 10 EFCERO CCOc1ccc(C[NH2+]Cc2ccccc2CC(=O)OC)c(O)c1 ZINC000848578463 1334805177 /nfs/dbraw/zinc/80/51/77/1334805177.db2.gz DLVSJKGTJVOMKG-UHFFFAOYSA-N 1 0 329.396 2.796 10 10 EFCERO CCc1cccc(C[NH2+][C@@H](C)Cn2ncc3ccccc3c2=O)c1O ZINC000848899845 1334970946 /nfs/dbraw/zinc/97/09/46/1334970946.db2.gz VHDMZGMFDAOYTB-AWEZNQCLSA-N 1 0 337.423 2.843 10 10 EFCERO CCc1cccc(C[NH2+]C[C@H](Cc2ccc(F)cc2)C(N)=O)c1O ZINC000848901181 1334972338 /nfs/dbraw/zinc/97/23/38/1334972338.db2.gz WEGXGPVKHJGLBM-INIZCTEOSA-N 1 0 330.403 2.528 10 10 EFCERO CCc1cccc(C[NH2+][C@@H](C)[C@H](O)c2ccc3c(c2)OCO3)c1O ZINC000848906886 1334976899 /nfs/dbraw/zinc/97/68/99/1334976899.db2.gz DTDQIRUNFQGPSP-SGTLLEGYSA-N 1 0 329.396 2.895 10 10 EFCERO CCc1cccc(C[NH2+][C@H]2CCCN(c3cc(C)nn3C)C2)c1O ZINC000848908150 1334977674 /nfs/dbraw/zinc/97/76/74/1334977674.db2.gz XWRXMTZYTAIGDU-KRWDZBQOSA-N 1 0 328.460 2.755 10 10 EFCERO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)cc1 ZINC000848929926 1334994848 /nfs/dbraw/zinc/99/48/48/1334994848.db2.gz LLGXDUBXJFHBHN-OMUFJYGLSA-N 1 0 343.515 2.953 10 10 EFCERO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)cc1 ZINC000848929928 1334994991 /nfs/dbraw/zinc/99/49/91/1334994991.db2.gz LLGXDUBXJFHBHN-VEBBDIFPSA-N 1 0 343.515 2.953 10 10 EFCERO C[NH+](C)[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)c1ccccc1 ZINC001440594733 1389764015 /nfs/dbraw/zinc/76/40/15/1389764015.db2.gz XCWKNGPAPLFXPC-MRXNPFEDSA-N 1 0 339.399 2.882 10 10 EFCERO CC[C@@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001506907273 1406425878 /nfs/dbraw/zinc/42/58/78/1406425878.db2.gz PUGWJNRGBARBDL-UXIGCNINSA-N 1 0 349.410 2.695 10 10 EFCERO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC[C@@H](C)C[NH+](C)C ZINC001450355051 1392581672 /nfs/dbraw/zinc/58/16/72/1392581672.db2.gz GJSWENRNONHZKA-CQSZACIVSA-N 1 0 341.455 2.834 10 10 EFCERO C[C@@H](CC[NH+](C)C)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001450711747 1392710242 /nfs/dbraw/zinc/71/02/42/1392710242.db2.gz VLJDUAHZXKUKQW-AWEZNQCLSA-N 1 0 337.427 2.923 10 10 EFCERO CC[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001507102962 1406706005 /nfs/dbraw/zinc/70/60/05/1406706005.db2.gz CTMDUYBIJJPGND-NXHRZFHOSA-N 1 0 348.487 2.755 10 10 EFCERO CN(C)c1ccc([C@@H](CNC(=O)c2c(O)cccc2F)[NH+](C)C)cc1 ZINC001456938847 1394875896 /nfs/dbraw/zinc/87/58/96/1394875896.db2.gz ZMCFWDYVNLDLCY-MRXNPFEDSA-N 1 0 345.418 2.630 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C[C@H]2CCCOC2)cc1C ZINC001507161870 1406791408 /nfs/dbraw/zinc/79/14/08/1406791408.db2.gz HGIIUGXCXAPIBJ-SJLPKXTDSA-N 1 0 348.487 2.757 10 10 EFCERO C[NH+](C)CCCOc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001464984845 1396637490 /nfs/dbraw/zinc/63/74/90/1396637490.db2.gz LNPIJGSHDXHTGA-UHFFFAOYSA-N 1 0 344.411 2.610 10 10 EFCERO CCCOCC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@H]1C ZINC001507274991 1406838919 /nfs/dbraw/zinc/83/89/19/1406838919.db2.gz WPXZDXHJIFPMKA-WBVHZDCISA-N 1 0 334.460 2.509 10 10 EFCERO CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2CCC2(C)C)[NH+](C)C)cc1 ZINC001470116132 1397074495 /nfs/dbraw/zinc/07/44/95/1397074495.db2.gz QPHDLLGUPHMVQL-SJORKVTESA-N 1 0 332.492 2.843 10 10 EFCERO O=C(Cc1ccc(O)c(O)c1)NCc1ccc(Nc2cc[nH+]cc2)cc1 ZINC001470598476 1397102031 /nfs/dbraw/zinc/10/20/31/1397102031.db2.gz FEXWCQWBCCKLLC-UHFFFAOYSA-N 1 0 349.390 2.517 10 10 EFCERO CN(C)c1ccc([C@@H](CNC(=O)N[C@]2(C)CC2(C)C)[NH+](C)C)cc1 ZINC001471548191 1397182924 /nfs/dbraw/zinc/18/29/24/1397182924.db2.gz RLRUWJCNBFVZTP-VQIMIIECSA-N 1 0 332.492 2.843 10 10 EFCERO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC001478840374 1397591753 /nfs/dbraw/zinc/59/17/53/1397591753.db2.gz BANNNVMLZSCCEY-DOTOQJQBSA-N 1 0 346.519 2.633 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H](OC)C(C)C)C2)cc1C ZINC001479319077 1397682125 /nfs/dbraw/zinc/68/21/25/1397682125.db2.gz DCBMPDOZXFQYHH-ZIFCJYIRSA-N 1 0 348.487 2.659 10 10 EFCERO C[C@H]1[C@@H](NC(=O)N(C)Cc2ccc(N3CCCC3)cc2)CC[N@@H+]1C ZINC001479377624 1397707968 /nfs/dbraw/zinc/70/79/68/1397707968.db2.gz WNIFQUPWQQVZMR-YJBOKZPZSA-N 1 0 330.476 2.521 10 10 EFCERO CN(C)c1ccc([C@@H](CNC(=O)N2C[C@H]3CCCC[C@H]32)[NH+](C)C)cc1 ZINC001479532982 1397753021 /nfs/dbraw/zinc/75/30/21/1397753021.db2.gz HGGJGVSJZIOSAV-BHIYHBOVSA-N 1 0 344.503 2.939 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C[C@H](C)SC)C2)cc1C ZINC001480200451 1398164207 /nfs/dbraw/zinc/16/42/07/1398164207.db2.gz JANUVNFHEZLIPO-CWRNSKLLSA-N 1 0 336.501 2.882 10 10 EFCERO CCOCC1(C(=O)N2CC[C@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)CC1 ZINC001480616310 1398249914 /nfs/dbraw/zinc/24/99/14/1398249914.db2.gz OLHPOQUPDWMZQQ-KRWDZBQOSA-N 1 0 346.471 2.511 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)N2CC[C@@H](C[NH2+]CCC3CC3)C2)cc1 ZINC001480682390 1398280402 /nfs/dbraw/zinc/28/04/02/1398280402.db2.gz FVVGBEAOTJPDJX-AWEZNQCLSA-N 1 0 343.431 2.701 10 10 EFCERO COc1ccc(C[NH2+][C@H]2CCC[C@H](NC(=O)CC(C)(C)O)C2)cc1C ZINC001480693855 1398288072 /nfs/dbraw/zinc/28/80/72/1398288072.db2.gz VQJIUMVUQSICPB-IRXDYDNUSA-N 1 0 348.487 2.682 10 10 EFCERO COc1ccc(C[NH2+]CC2(NC(=O)COC(C)C)CCCC2)cc1C ZINC001495135240 1399690656 /nfs/dbraw/zinc/69/06/56/1399690656.db2.gz OKDUYRREEVRBRH-UHFFFAOYSA-N 1 0 348.487 2.947 10 10 EFCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)c2ncoc2C)cc1C ZINC001497153014 1401188203 /nfs/dbraw/zinc/18/82/03/1401188203.db2.gz BLMHQUOEVDSLTN-CYBMUJFWSA-N 1 0 331.416 2.598 10 10 EFCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)C2(C3CC3)CC2)cc1C ZINC001497607046 1401488558 /nfs/dbraw/zinc/48/85/58/1401488558.db2.gz CQLKZFDEKVQNHU-ONEGZZNKSA-N 1 0 328.456 2.956 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2ccnn2C(C)C)cc1C ZINC001497822209 1401676859 /nfs/dbraw/zinc/67/68/59/1401676859.db2.gz YAAFLMUNFVROSX-OAHLLOKOSA-N 1 0 344.459 2.689 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2ncc(F)cc2F)cc1C ZINC001498060250 1401836732 /nfs/dbraw/zinc/83/67/32/1401836732.db2.gz NXMSNDHJKURPEA-LBPRGKRZSA-N 1 0 349.381 2.585 10 10 EFCERO C[C@@H](C[N@H+](C)CCC1CC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001498463816 1402124529 /nfs/dbraw/zinc/12/45/29/1402124529.db2.gz FHRZMXQCHWRUGE-LBPRGKRZSA-N 1 0 331.420 2.699 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)c3cnc(C)s3)CC2)cc1C ZINC001499175924 1402510070 /nfs/dbraw/zinc/51/00/70/1402510070.db2.gz LIWDHCGVYOHVHS-UHFFFAOYSA-N 1 0 345.468 2.821 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)CCC(F)F)CC2)cc1C ZINC001499289667 1402554156 /nfs/dbraw/zinc/55/41/56/1402554156.db2.gz GUYMJEQBWVWIDU-UHFFFAOYSA-N 1 0 326.387 2.787 10 10 EFCERO COC[C@@H](C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001499938597 1402862865 /nfs/dbraw/zinc/86/28/65/1402862865.db2.gz CHFLJROUATWRHT-YJBOKZPZSA-N 1 0 348.487 2.757 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@H]2C[NH2+]C/C=C/Cl)cc1 ZINC001499954890 1402868746 /nfs/dbraw/zinc/86/87/46/1402868746.db2.gz JLXUDVDPRDIYCZ-GCQUWVNZSA-N 1 0 349.822 2.796 10 10 EFCERO COc1ccc(C[NH2+]C[C@]2(C)CCN(C(=O)COC(C)C)C2)cc1C ZINC001500324620 1403053665 /nfs/dbraw/zinc/05/36/65/1403053665.db2.gz LJQQXEGOBNPUJK-FQEVSTJZSA-N 1 0 348.487 2.757 10 10 EFCERO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)CCCF)C[C@@H]2C)cc1C ZINC001501133271 1403453327 /nfs/dbraw/zinc/45/33/27/1403453327.db2.gz VMDKTBVDRUCYFM-RDJZCZTQSA-N 1 0 336.451 2.937 10 10 EFCERO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)CCCF)C[C@H]2C)cc1C ZINC001501133272 1403453364 /nfs/dbraw/zinc/45/33/64/1403453364.db2.gz VMDKTBVDRUCYFM-WBVHZDCISA-N 1 0 336.451 2.937 10 10 EFCERO COc1ccc(C[NH2+]CC2(NC(=O)C=C(C)C)CCOCC2)cc1C ZINC001502608893 1404262799 /nfs/dbraw/zinc/26/27/99/1404262799.db2.gz LXPSNIQTJMNUDK-UHFFFAOYSA-N 1 0 346.471 2.725 10 10 EFCERO CC(C)CC[NH2+]CC1CC(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001505539600 1404749829 /nfs/dbraw/zinc/74/98/29/1404749829.db2.gz OQSHPGIQMCIIJS-UHFFFAOYSA-N 1 0 345.447 2.993 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C(=O)C(C)(C)C)cc1C ZINC001505579699 1404806498 /nfs/dbraw/zinc/80/64/98/1404806498.db2.gz ZVBRUTCYCAPRMX-ZIAGYGMSSA-N 1 0 334.460 2.602 10 10 EFCERO COCC1(C(=O)N[C@H](C)[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)CCC1 ZINC001505655831 1404902594 /nfs/dbraw/zinc/90/25/94/1404902594.db2.gz FDQJJXQHRUCQET-JKSUJKDBSA-N 1 0 348.487 2.803 10 10 EFCERO C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@H](C)[NH2+]C/C=C/Cl ZINC001505764383 1405039233 /nfs/dbraw/zinc/03/92/33/1405039233.db2.gz FMWYAJZXVBELCX-DKFRUPMSSA-N 1 0 337.811 2.698 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC001556500077 1415073407 /nfs/dbraw/zinc/07/34/07/1415073407.db2.gz VZRAXZJNTAPFOO-HNNXBMFYSA-N 1 0 329.404 2.596 10 10 EFCERO CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc(CC[NH+](C)C)c1 ZINC001556515741 1415074187 /nfs/dbraw/zinc/07/41/87/1415074187.db2.gz JVYHEVIJYMLSCG-UHFFFAOYSA-N 1 0 347.455 2.912 10 10 EFCERO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001557063143 1415103845 /nfs/dbraw/zinc/10/38/45/1415103845.db2.gz GMMGVPGOUCOXMF-ULQDDVLXSA-N 1 0 331.504 2.981 10 10 EFCERO C[C@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)c1ccccc1O ZINC001560074696 1415262517 /nfs/dbraw/zinc/26/25/17/1415262517.db2.gz BRONRTQGPYANMJ-NSHDSACASA-N 1 0 329.787 2.904 10 10 EFCERO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCCC1(CC)CC)cc2=O ZINC001560119985 1415264141 /nfs/dbraw/zinc/26/41/41/1415264141.db2.gz CYYFBMDDJWRRAG-UHFFFAOYSA-N 1 0 346.431 2.766 10 10 EFCERO Cc1cc(CCNC(=O)NC[C@H](C)[NH+](C)C)c(C)n1-c1ccccc1 ZINC001564771739 1415382802 /nfs/dbraw/zinc/38/28/02/1415382802.db2.gz URDDCDXDFRZKAA-INIZCTEOSA-N 1 0 342.487 2.886 10 10 EFCERO CCC[N@@H+]1CC[C@@H](NC(=O)N(C)Cc2ccc(N3CCCC3)cc2)C1 ZINC001565128578 1415390338 /nfs/dbraw/zinc/39/03/38/1415390338.db2.gz IQKPUULDIDCEIU-GOSISDBHSA-N 1 0 344.503 2.913 10 10 EFCERO C[C@@H]1CC[C@@H](NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC001565355434 1415394161 /nfs/dbraw/zinc/39/41/61/1415394161.db2.gz KZJSTZMQHVBASR-KYJSFNMBSA-N 1 0 332.492 2.843 10 10 EFCERO COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3CCC[N@H+](C)C3)c2C)cc1 ZINC001565667592 1415409390 /nfs/dbraw/zinc/40/93/90/1415409390.db2.gz JCZNJFDNNJAYJU-MRXNPFEDSA-N 1 0 341.455 2.927 10 10 EFCERO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C(F)F)C2)cc1C ZINC001565885762 1415443563 /nfs/dbraw/zinc/44/35/63/1415443563.db2.gz NPUKOJWYBCCWKC-UONOGXRCSA-N 1 0 326.387 2.643 10 10 EFCERO COc1ccc(C[NH2+][C@H](CNC(=O)c2cc(F)c[nH]2)C2CC2)cc1C ZINC001566716171 1415744747 /nfs/dbraw/zinc/74/47/47/1415744747.db2.gz KBAURILEERMRKO-QGZVFWFLSA-N 1 0 345.418 2.769 10 10 EFCERO C[C@@H](F)CC[NH2+][C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001566731127 1415748621 /nfs/dbraw/zinc/74/86/21/1415748621.db2.gz AMHBCEZZTBXZMI-ABAIWWIYSA-N 1 0 349.410 2.695 10 10 EFCERO COc1ccc(C[NH2+][C@H](CNC(=O)c2c[nH]cc2C)C2CC2)cc1C ZINC001566733757 1415749661 /nfs/dbraw/zinc/74/96/61/1415749661.db2.gz XGVGOFGWUJZYJB-GOSISDBHSA-N 1 0 341.455 2.938 10 10 EFCERO COCCCC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001566885524 1415823831 /nfs/dbraw/zinc/82/38/31/1415823831.db2.gz MPHVBRNHXDQKFN-GOSISDBHSA-N 1 0 348.487 2.758 10 10 EFCERO COCCCC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001566885525 1415824108 /nfs/dbraw/zinc/82/41/08/1415824108.db2.gz MPHVBRNHXDQKFN-SFHVURJKSA-N 1 0 348.487 2.758 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H](C)C(C)(F)F)cc1C ZINC001567053726 1415917342 /nfs/dbraw/zinc/91/73/42/1415917342.db2.gz CDAKCFUHHTUIPJ-STQMWFEESA-N 1 0 328.403 2.889 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)COc2ccccc2)cc1C ZINC001567072927 1415924219 /nfs/dbraw/zinc/92/42/19/1415924219.db2.gz PDHDGDGILLJQJH-MRXNPFEDSA-N 1 0 342.439 2.677 10 10 EFCERO CC/C=C/CC[NH2+][C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001567083756 1415928690 /nfs/dbraw/zinc/92/86/90/1415928690.db2.gz SGRXPIHDRJQKKD-PFQVQGOGSA-N 1 0 331.420 2.913 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)c2cnc(C3CC3)o2)cc1C ZINC001567509903 1416166900 /nfs/dbraw/zinc/16/69/00/1416166900.db2.gz ZMCRRGRDJUZTMO-UHFFFAOYSA-N 1 0 343.427 2.731 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)CCC2CCOCC2)cc1C ZINC001567569661 1416192317 /nfs/dbraw/zinc/19/23/17/1416192317.db2.gz YXLLQLMHEZBNLS-UHFFFAOYSA-N 1 0 348.487 2.758 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)CC[C@H]2CC[C@@H](C)O2)cc1C ZINC001567609620 1416208661 /nfs/dbraw/zinc/20/86/61/1416208661.db2.gz ZOUYCJUPUVGDSG-SJLPKXTDSA-N 1 0 348.487 2.899 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@H]2C[NH2+]CCC2CC2)cc1 ZINC001568153304 1416426585 /nfs/dbraw/zinc/42/65/85/1416426585.db2.gz RGJNCMIQLUIENQ-MRXNPFEDSA-N 1 0 343.431 2.843 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2cnc(C)s2)cc1C ZINC001568163874 1416430328 /nfs/dbraw/zinc/43/03/28/1416430328.db2.gz FQJKJBSUFZQVCZ-GFCCVEGCSA-N 1 0 347.484 2.924 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2csnc2C)cc1C ZINC001568166681 1416430804 /nfs/dbraw/zinc/43/08/04/1416430804.db2.gz ADJQXAGIHYLHRD-LBPRGKRZSA-N 1 0 347.484 2.924 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@@H]2CC2(F)F)cc1C ZINC001568170811 1416432452 /nfs/dbraw/zinc/43/24/52/1416432452.db2.gz NANALWCGDKKDMY-FZMZJTMJSA-N 1 0 326.387 2.501 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)c2cccnc2C)cc1C ZINC001568294601 1416468427 /nfs/dbraw/zinc/46/84/27/1416468427.db2.gz GVRGDIFUBLMCHY-HNNXBMFYSA-N 1 0 341.455 2.957 10 10 EFCERO COCC(=O)N[C@@H](C[NH2+]Cc1ccc(OC)c(C)c1)C1CCCCC1 ZINC001568340093 1416482255 /nfs/dbraw/zinc/48/22/55/1416482255.db2.gz IODQBHAOQQKEAX-SFHVURJKSA-N 1 0 348.487 2.805 10 10 EFCERO CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2C[C@H]3CCC[C@H]32)[NH+](C)C)cc1 ZINC001685608906 1416769148 /nfs/dbraw/zinc/76/91/48/1416769148.db2.gz JWEZNBUUHYRJLF-OWYHZJEWSA-N 1 0 344.503 2.843 10 10 EFCERO CCC1(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCC1 ZINC001685608775 1416769192 /nfs/dbraw/zinc/76/91/92/1416769192.db2.gz GSXDGEOKNMVRFK-QGZVFWFLSA-N 1 0 332.492 2.987 10 10 EFCERO CC1(C)CC[N@H+](CCNC(=O)NCc2cc(Cl)ccc2O)C1 ZINC001685648886 1416770004 /nfs/dbraw/zinc/77/00/04/1416770004.db2.gz WVUSPZUDHXBGNC-UHFFFAOYSA-N 1 0 325.840 2.577 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2ccc(F)cn2)cc1C ZINC001698745010 1417326044 /nfs/dbraw/zinc/32/60/44/1417326044.db2.gz LWKUVQPBHYRHIR-CYBMUJFWSA-N 1 0 345.418 2.693 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2[C@@H]3CCC[C@@H]32)cc1C ZINC001700748048 1417640389 /nfs/dbraw/zinc/64/03/89/1417640389.db2.gz QMJKDQOABQGNQR-NWGLXNPWSA-N 1 0 330.472 2.986 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2conc2C)cc1C ZINC001713415642 1418515878 /nfs/dbraw/zinc/51/58/78/1418515878.db2.gz FRNQLHIVMFNAEU-CYBMUJFWSA-N 1 0 331.416 2.598 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)C[C@@H]2CCCOC2)cc1C ZINC001713422497 1418518804 /nfs/dbraw/zinc/51/88/04/1418518804.db2.gz QCLSIRLOWRWZTE-AEFFLSMTSA-N 1 0 348.487 2.805 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)c2ccncc2Cl)cc1C ZINC001714761532 1418629781 /nfs/dbraw/zinc/62/97/81/1418629781.db2.gz UQMYMHUVKCACAM-UHFFFAOYSA-N 1 0 347.846 2.914 10 10 EFCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)c2oncc2C)cc1C ZINC001716184919 1418715726 /nfs/dbraw/zinc/71/57/26/1418715726.db2.gz IVEJYNYXUFBFHM-CQSZACIVSA-N 1 0 331.416 2.598 10 10 EFCERO COc1ccc(C(=O)NC/C=C/C[NH2+]Cc2ccc(OC)c(C)c2)o1 ZINC001716357763 1418797909 /nfs/dbraw/zinc/79/79/09/1418797909.db2.gz UNFMONVITLHTRV-SNAWJCMRSA-N 1 0 344.411 2.681 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)C2(C(F)F)CC2)cc1C ZINC001716395166 1418871525 /nfs/dbraw/zinc/87/15/25/1418871525.db2.gz OQQRQTZEWBURRG-GFCCVEGCSA-N 1 0 326.387 2.643 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)COc2ccsc2)cc1C ZINC001716460103 1418891237 /nfs/dbraw/zinc/89/12/37/1418891237.db2.gz ASGKVGQGXAJDKC-AWEZNQCLSA-N 1 0 348.468 2.738 10 10 EFCERO CC1CC(C[NH2+]CCCN(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001716587990 1418920577 /nfs/dbraw/zinc/92/05/77/1418920577.db2.gz GXQIAFJBZMXFSL-UHFFFAOYSA-N 1 0 345.447 2.947 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](NC(=O)c2[nH]ccc2C)C2CC2)cc1C ZINC001716610005 1418923443 /nfs/dbraw/zinc/92/34/43/1418923443.db2.gz LAJYENBUNMZEFG-KRWDZBQOSA-N 1 0 341.455 2.938 10 10 EFCERO CC(C)C[NH2+]C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001716630740 1418930354 /nfs/dbraw/zinc/93/03/54/1418930354.db2.gz DTTJEMJFZCSCPS-OAHLLOKOSA-N 1 0 331.420 2.603 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)c3ccc(F)nc3)CC2)cc1C ZINC001716677650 1418956309 /nfs/dbraw/zinc/95/63/09/1418956309.db2.gz FZXBCYFTKQLJLX-UHFFFAOYSA-N 1 0 343.402 2.590 10 10 EFCERO CC(C)[NH2+]C[C@@]1(C)CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001716881073 1419072107 /nfs/dbraw/zinc/07/21/07/1419072107.db2.gz AEYRKFROHXLUQG-QGZVFWFLSA-N 1 0 331.420 2.699 10 10 EFCERO C[C@@]1(C[NH2+]CC2CC2)CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001716882093 1419072708 /nfs/dbraw/zinc/07/27/08/1419072708.db2.gz RKXBEQDCZBMEOU-SFHVURJKSA-N 1 0 343.431 2.701 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@H]3CO[C@@H](C)C3)CCC2)cc1C ZINC001717153431 1419240424 /nfs/dbraw/zinc/24/04/24/1419240424.db2.gz QBKIHHSILMUTEQ-DOTOQJQBSA-N 1 0 346.471 2.557 10 10 EFCERO C[C@H](CN(C)C(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CC1CC(C)C1 ZINC001717756890 1419537601 /nfs/dbraw/zinc/53/76/01/1419537601.db2.gz JTLSLMVNQKNYBG-ROKHWSDSSA-N 1 0 345.447 2.945 10 10 EFCERO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CCCC(C)=O)[C@@H]2C)cc1C ZINC001717787668 1419542004 /nfs/dbraw/zinc/54/20/04/1419542004.db2.gz KUCUASLZSRPKEM-AEFFLSMTSA-N 1 0 346.471 2.842 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](NC(=O)c2cocn2)C(C)(C)C)cc1C ZINC001717956662 1419628314 /nfs/dbraw/zinc/62/83/14/1419628314.db2.gz XYAKUXPOLWHZRQ-KRWDZBQOSA-N 1 0 345.443 2.926 10 10 EFCERO CC[C@@H](F)C[NH2+]C1CC(N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001718000882 1419650444 /nfs/dbraw/zinc/65/04/44/1419650444.db2.gz UXKNDHDJBZKKBE-LRVUVFPRSA-N 1 0 349.410 2.790 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)c2ccoc2)C2CC2)cc1C ZINC001723272447 1424457545 /nfs/dbraw/zinc/45/75/45/1424457545.db2.gz NGLBCAZLQRXVPC-QGZVFWFLSA-N 1 0 328.412 2.895 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3C3CC3)CC2)cc1C ZINC001723568808 1424524453 /nfs/dbraw/zinc/52/44/53/1424524453.db2.gz VHRCCCYSBQMMNF-DLBZAZTESA-N 1 0 328.456 2.788 10 10 EFCERO COC[C@H](C)C(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001724204808 1424699499 /nfs/dbraw/zinc/69/94/99/1424699499.db2.gz OTNRGONNFBUUQW-OXJNMPFZSA-N 1 0 348.487 2.614 10 10 EFCERO COc1ccc(C[NH2+]CC[C@@H]2CCN(C(=O)[C@H]3C[C@@H]3C)C2)cc1C ZINC001724717209 1424936494 /nfs/dbraw/zinc/93/64/94/1424936494.db2.gz DDPZDFCPTNYFGQ-LESCRADOSA-N 1 0 330.472 2.988 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)c3oncc3C)CCC2)cc1C ZINC001724795786 1425018143 /nfs/dbraw/zinc/01/81/43/1425018143.db2.gz HPZNMLPISPMNEJ-UHFFFAOYSA-N 1 0 343.427 2.742 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2nocc2C)cc1C ZINC001725119028 1425312778 /nfs/dbraw/zinc/31/27/78/1425312778.db2.gz LCHVFVXLVLQICK-ZIAGYGMSSA-N 1 0 331.416 2.597 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)CCn2cccc2)cc1C ZINC001725513379 1425630940 /nfs/dbraw/zinc/63/09/40/1425630940.db2.gz GLYAXSJHDPGTGY-KRWDZBQOSA-N 1 0 343.471 2.832 10 10 EFCERO C[N@H+](Cc1cc2c(cc1O)CCCC2)CC(C)(C)S(C)(=O)=O ZINC000160514488 714247483 /nfs/dbraw/zinc/24/74/83/714247483.db2.gz KYVBKRNARDILES-UHFFFAOYSA-N 1 0 325.474 2.526 10 10 EFCERO CC[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1cc(Br)ccc1O ZINC000723570966 714663648 /nfs/dbraw/zinc/66/36/48/714663648.db2.gz NSYMFTHJNQHTJV-GXFFZTMASA-N 1 0 341.249 2.674 10 10 EFCERO CCN(CC)c1ccc(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000247533185 715165090 /nfs/dbraw/zinc/16/50/90/715165090.db2.gz XSZCGXYLKQUFMV-VQIMIIECSA-N 1 0 344.503 2.911 10 10 EFCERO COc1ccc2ccc(O)c(C[NH+]3CCN(CC(F)F)CC3)c2c1 ZINC000052085953 715982492 /nfs/dbraw/zinc/98/24/92/715982492.db2.gz BBTBWTQFIKJZAY-UHFFFAOYSA-N 1 0 336.382 2.937 10 10 EFCERO COC(=O)c1c(C[NH2+]C[C@@H]2CC[C@@H](C)O2)c2cc(F)ccc2n1C ZINC000894969719 723038747 /nfs/dbraw/zinc/03/87/47/723038747.db2.gz JDSJGQHLGDJUDW-YPMHNXCESA-N 1 0 334.391 2.761 10 10 EFCERO CC[C@@H](CO)[NH+]1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000093739771 716230111 /nfs/dbraw/zinc/23/01/11/716230111.db2.gz HWXPUVFSFPMYKP-IBGZPJMESA-N 1 0 331.504 2.565 10 10 EFCERO CN(C(=O)c1cc2cc(O)c(O)cc2s1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000896989462 723935878 /nfs/dbraw/zinc/93/58/78/723935878.db2.gz SKLCBRTVIIBPAX-LBPRGKRZSA-N 1 0 332.425 2.621 10 10 EFCERO CCC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000102382287 717178416 /nfs/dbraw/zinc/17/84/16/717178416.db2.gz LAAKPSOGEOMTND-IBGZPJMESA-N 1 0 345.487 2.655 10 10 EFCERO C[C@@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)[NH+]1CCCCC1 ZINC000895810193 724320186 /nfs/dbraw/zinc/32/01/86/724320186.db2.gz IIFFZXYBSNOGHL-NSHDSACASA-N 1 0 334.441 2.917 10 10 EFCERO CCCn1cc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000121308712 724320968 /nfs/dbraw/zinc/32/09/68/724320968.db2.gz KDSGZSKHBPQQAZ-UHFFFAOYSA-N 1 0 328.460 2.762 10 10 EFCERO [O-]c1c(Br)cccc1C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000179467783 717468162 /nfs/dbraw/zinc/46/81/62/717468162.db2.gz GPCXEXVVEPGRRY-LBPRGKRZSA-N 1 0 337.221 2.583 10 10 EFCERO COc1ccc(N2CCC[N@H+](Cc3c(C)ccnc3N)CC2)cc1 ZINC000893970012 720189402 /nfs/dbraw/zinc/18/94/02/720189402.db2.gz XABDSRHFJJGAQP-UHFFFAOYSA-N 1 0 326.444 2.693 10 10 EFCERO COC(=O)c1c(C[NH+]2CCC([C@H](C)O)CC2)c2cc(F)ccc2n1C ZINC000893993674 720200085 /nfs/dbraw/zinc/20/00/85/720200085.db2.gz DWAKBRKFMNPXHN-LBPRGKRZSA-N 1 0 348.418 2.697 10 10 EFCERO CC[C@@H]1[C@@H](C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC[N@@H+]1C ZINC000866898939 721716462 /nfs/dbraw/zinc/71/64/62/721716462.db2.gz ATPSDZOHEVFVOU-FGTMMUONSA-N 1 0 346.471 2.630 10 10 EFCERO COc1cc(C)cc(C[NH2+][C@@H]2CCCN(c3ccccc3)C2=O)c1O ZINC000894257280 721765184 /nfs/dbraw/zinc/76/51/84/721765184.db2.gz ODRCABBKPVSGGZ-QGZVFWFLSA-N 1 0 340.423 2.994 10 10 EFCERO COC(=O)c1c(C[NH2+]C[C@](C)(O)C(C)C)c2cc(F)ccc2n1C ZINC000894267151 721800181 /nfs/dbraw/zinc/80/01/81/721800181.db2.gz VCCBACKMPUKUFF-SFHVURJKSA-N 1 0 336.407 2.601 10 10 EFCERO COC(=O)c1c(C[NH2+]CCC[C@@H](C)CO)c2cc(F)ccc2n1C ZINC000894367044 722621331 /nfs/dbraw/zinc/62/13/31/722621331.db2.gz JWCDDPIVWDYSQE-GFCCVEGCSA-N 1 0 336.407 2.602 10 10 EFCERO COC(=O)c1c(C[N@@H+]2CCC[C@](C)(O)CC2)c2cc(F)ccc2n1C ZINC000894603203 722789948 /nfs/dbraw/zinc/78/99/48/722789948.db2.gz NEQPHGSIOIGVIV-IBGZPJMESA-N 1 0 348.418 2.841 10 10 EFCERO COC(=O)c1c(C[NH2+]C[C@H]2CCOC[C@@H]2C)c2cc(F)ccc2n1C ZINC000894749184 722833772 /nfs/dbraw/zinc/83/37/72/722833772.db2.gz DMGLMEOMMRMMJO-QWHCGFSZSA-N 1 0 348.418 2.866 10 10 EFCERO COC(=O)c1c(C[NH2+]C[C@H]2CCOC[C@H]2C)c2cc(F)ccc2n1C ZINC000894749182 722833780 /nfs/dbraw/zinc/83/37/80/722833780.db2.gz DMGLMEOMMRMMJO-CHWSQXEVSA-N 1 0 348.418 2.866 10 10 EFCERO COC(=O)c1c(C[NH2+][C@H]2CCC[C@@H](CO)C2)c2cc(F)ccc2n1C ZINC000895015530 723050893 /nfs/dbraw/zinc/05/08/93/723050893.db2.gz XBCKTLOIHFMCLL-OCCSQVGLSA-N 1 0 348.418 2.745 10 10 EFCERO Cc1cc(O)c(C[N@@H+]2CCc3nc[nH]c3C23CCOCC3)cc1C ZINC000895071522 723179610 /nfs/dbraw/zinc/17/96/10/723179610.db2.gz QHKUCUGRAVPTFQ-UHFFFAOYSA-N 1 0 327.428 2.796 10 10 EFCERO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896294232 723244819 /nfs/dbraw/zinc/24/48/19/723244819.db2.gz QWDONXNFFPNPJV-LBPRGKRZSA-N 1 0 334.441 2.917 10 10 EFCERO COc1ccc(N2CCN(CCC[NH2+][C@H](C)[C@@H]3C[C@H]3C)CC2)cc1 ZINC000840710049 723900678 /nfs/dbraw/zinc/90/06/78/723900678.db2.gz HRFMIIIFNNSFHE-MBOZVWFJSA-N 1 0 331.504 2.841 10 10 EFCERO O=C1N(CC[NH2+]Cc2cc(Cl)c(F)cc2[O-])C[C@@H]2CCCCN12 ZINC000895343863 724052361 /nfs/dbraw/zinc/05/23/61/724052361.db2.gz MKZQIFAWTMSQGS-LBPRGKRZSA-N 1 0 341.814 2.564 10 10 EFCERO COC(=O)c1c(C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)c2cc(F)ccc2n1C ZINC000895440129 724134693 /nfs/dbraw/zinc/13/46/93/724134693.db2.gz OOXIOBCVLOZTPL-UEKVPHQBSA-N 1 0 334.391 2.760 10 10 EFCERO COc1cc(O)c(C[NH2+][C@@]2(c3ccccc3)C[C@@H](O)C2)cc1OC ZINC000895512271 724175373 /nfs/dbraw/zinc/17/53/73/724175373.db2.gz LBTRISICAZOEJR-GLRZTSSQSA-N 1 0 329.396 2.549 10 10 EFCERO COc1cc(C)cc(C[NH2+]C[C@@H]2CCC3(CCOCC3)CO2)c1O ZINC000895537457 724186852 /nfs/dbraw/zinc/18/68/52/724186852.db2.gz SDSPFOZNDMHTBV-INIZCTEOSA-N 1 0 335.444 2.775 10 10 EFCERO OC[C@@H](C[NH2+]Cc1ccc(Br)cc1O)Cc1ccoc1 ZINC000895584572 724206874 /nfs/dbraw/zinc/20/68/74/724206874.db2.gz FIAHOJPMTFRYJC-GFCCVEGCSA-N 1 0 340.217 2.689 10 10 EFCERO OC1CCN(c2ccc(C[NH+]3CC(CC4CCOCC4)C3)cc2)CC1 ZINC000895614953 724224178 /nfs/dbraw/zinc/22/41/78/724224178.db2.gz FHDIMBBFNQRUHT-UHFFFAOYSA-N 1 0 344.499 2.896 10 10 EFCERO COC[C@H]1C[C@@H]([NH2+]Cc2c3cc(F)ccc3n(C)c2C(=O)OC)C1 ZINC000895622283 724229352 /nfs/dbraw/zinc/22/93/52/724229352.db2.gz DEZWSYWUVREREY-BJHJDKERSA-N 1 0 334.391 2.619 10 10 EFCERO COc1ccc(O)c(CN2CC[NH+](CCCOC(C)(C)C)CC2)c1 ZINC000895646149 724241987 /nfs/dbraw/zinc/24/19/87/724241987.db2.gz VSTKKLCJIGSGET-UHFFFAOYSA-N 1 0 336.476 2.724 10 10 EFCERO COc1cc(Br)cc(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)c1O ZINC000895780518 724318223 /nfs/dbraw/zinc/31/82/23/724318223.db2.gz LJIWVTPWCHJUAU-PHIMTYICSA-N 1 0 344.274 2.958 10 10 EFCERO NC(=O)C1CCN(c2ccc(C[NH2+]C[C@@H]3CC[C@@H]4C[C@@H]4C3)cc2)CC1 ZINC000895813865 724328611 /nfs/dbraw/zinc/32/86/11/724328611.db2.gz IKIZDSZLIXFEJS-QRQLOZEOSA-N 1 0 341.499 2.914 10 10 EFCERO CCC1([NH+]2CCC2)CCN(Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1 ZINC000895822701 724333673 /nfs/dbraw/zinc/33/36/73/724333673.db2.gz QWYHGHWPNYKOKS-UHFFFAOYSA-N 1 0 349.431 2.759 10 10 EFCERO Fc1cc(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)ccc1N1CCOCC1 ZINC000895845898 724347559 /nfs/dbraw/zinc/34/75/59/724347559.db2.gz PRYRZDJNHRYXGP-APWZRJJASA-N 1 0 334.435 2.663 10 10 EFCERO COC[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)[C@@H]1CCCOC1 ZINC000895854338 724353414 /nfs/dbraw/zinc/35/34/14/724353414.db2.gz KFHSYHSRALOPCJ-RISCZKNCSA-N 1 0 329.824 2.585 10 10 EFCERO Cc1cc(C(=O)CN2C[C@H]3C[NH2+]C[C@@H]3C2)c(C)n1-c1cccc(F)c1 ZINC000728913731 724884707 /nfs/dbraw/zinc/88/47/07/724884707.db2.gz GVMBATHVTDUOJB-HZPDHXFCSA-N 1 0 341.430 2.567 10 10 EFCERO COc1ccc(-n2c(C)cc(C(=O)NC34CC[NH+](CC3)C4)c2C)cc1 ZINC000913626227 725786480 /nfs/dbraw/zinc/78/64/80/725786480.db2.gz IFEMEDWKRMDNEV-UHFFFAOYSA-N 1 0 339.439 2.681 10 10 EFCERO COC(=O)c1cc2ccccc2c(C[N@H+](C)C[C@H]2CCCO2)c1O ZINC000151724974 725815540 /nfs/dbraw/zinc/81/55/40/725815540.db2.gz CJBPEXINPYQIMI-CQSZACIVSA-N 1 0 329.396 2.943 10 10 EFCERO O=C(NCc1c(O)cccc1F)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000913892151 725927243 /nfs/dbraw/zinc/92/72/43/725927243.db2.gz JIQOTRQAHDWPCJ-OAHLLOKOSA-N 1 0 343.402 2.605 10 10 EFCERO O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1[O-] ZINC000841085720 727210558 /nfs/dbraw/zinc/21/05/58/727210558.db2.gz BNIVYZANOSPJSL-BXUZGUMPSA-N 1 0 339.823 2.918 10 10 EFCERO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1cc2cc(O)c(O)cc2s1 ZINC000911582085 727564642 /nfs/dbraw/zinc/56/46/42/727564642.db2.gz KRNMXDGVFVNINA-TXEJJXNPSA-N 1 0 332.425 2.669 10 10 EFCERO Cc1cc(CC(=O)N2CC[C@@H]([NH+]3CCC3)C2)c(C)n1-c1ccccc1 ZINC000912902057 727759057 /nfs/dbraw/zinc/75/90/57/727759057.db2.gz CVASUVOAONKYMS-HXUWFJFHSA-N 1 0 337.467 2.943 10 10 EFCERO C[NH+]1C[C@@]2(C)CN(C(=O)c3cc4cc(O)c(O)cc4s3)C[C@]2(C)C1 ZINC000913274642 727812334 /nfs/dbraw/zinc/81/23/34/727812334.db2.gz OHJWFBGEUKNSHN-ROUUACIJSA-N 1 0 346.452 2.726 10 10 EFCERO C[n+]1cccc(/C=C\[C@@]23NC(=O)CCN2c2ccccc2C3(C)C)c1 ZINC000221902125 727901244 /nfs/dbraw/zinc/90/12/44/727901244.db2.gz FGVJOCLRUDDKQB-JQZHBYGZSA-O 1 0 334.443 2.538 10 10 EFCERO CCN(CC)C(=O)[C@H]1CCCN1Cc1cc(F)cc(C(C)=O)c1O ZINC000175670951 729516719 /nfs/dbraw/zinc/51/67/19/729516719.db2.gz YRCPFDMXQGKCRS-MRXNPFEDSA-N 1 0 336.407 2.567 10 10 EFCERO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC000180530382 729754939 /nfs/dbraw/zinc/75/49/39/729754939.db2.gz UQTGPYMPSUSICV-CQSZACIVSA-N 1 0 336.432 2.890 10 10 EFCERO C[NH+](C)Cc1cc(CNC(=O)/C=C/c2ccc(O)c(O)c2)ccc1F ZINC000181087957 729779687 /nfs/dbraw/zinc/77/96/87/729779687.db2.gz DLEUYRJEZLNTKV-VMPITWQZSA-N 1 0 344.386 2.628 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)c3cccc(C)n3)CC2)cc1C ZINC001569391021 1085172923 /nfs/dbraw/zinc/17/29/23/1085172923.db2.gz ABTMGTZRPTWKOO-UHFFFAOYSA-N 1 0 339.439 2.759 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)c3cnccc3C)CC2)cc1C ZINC001569395445 1085176979 /nfs/dbraw/zinc/17/69/79/1085176979.db2.gz LMJNNGDNBLAWHX-UHFFFAOYSA-N 1 0 339.439 2.759 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)COC(C)C)C2)cc1C ZINC001569807261 1085624808 /nfs/dbraw/zinc/62/48/08/1085624808.db2.gz VVPDZJFPBLWGTF-FUHWJXTLSA-N 1 0 348.487 2.755 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)COC(C)C)C2)cc1C ZINC001569807262 1085625099 /nfs/dbraw/zinc/62/50/99/1085625099.db2.gz VVPDZJFPBLWGTF-SJLPKXTDSA-N 1 0 348.487 2.755 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2ccns2)cc1C ZINC001570608847 1086404428 /nfs/dbraw/zinc/40/44/28/1086404428.db2.gz UBJCXPPQDXXEMN-QWHCGFSZSA-N 1 0 333.457 2.757 10 10 EFCERO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)C2CCOCC2)cc1C ZINC001571208300 1086677030 /nfs/dbraw/zinc/67/70/30/1086677030.db2.gz FQGMDRKYVBOWMM-INIZCTEOSA-N 1 0 348.487 2.805 10 10 EFCERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1O ZINC001648054097 1089937281 /nfs/dbraw/zinc/93/72/81/1089937281.db2.gz OAVUYAJZAXEUGZ-NEPJUHHUSA-N 1 0 329.356 2.978 10 10 EFCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccnnc2)C1 ZINC001583530520 1092027781 /nfs/dbraw/zinc/02/77/81/1092027781.db2.gz JXAUNAMMNWKQIL-UHFFFAOYSA-N 1 0 349.438 2.837 10 10 EFCERO Cc1cccc(O)c1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001648478273 1092223211 /nfs/dbraw/zinc/22/32/11/1092223211.db2.gz XLYUASQYPCBSCX-KRWDZBQOSA-N 1 0 341.455 2.799 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)Cc2cscn2)cc1C ZINC001649439667 1092464586 /nfs/dbraw/zinc/46/45/86/1092464586.db2.gz BCAQQDDLLRYXMR-CQSZACIVSA-N 1 0 347.484 2.687 10 10 EFCERO CC(C)CCO[C@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001586054417 1092669131 /nfs/dbraw/zinc/66/91/31/1092669131.db2.gz ICBYVASOLXWOIW-VQIMIIECSA-N 1 0 349.519 2.923 10 10 EFCERO CC(C)CCO[C@@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001586054415 1092669507 /nfs/dbraw/zinc/66/95/07/1092669507.db2.gz ICBYVASOLXWOIW-QFBILLFUSA-N 1 0 349.519 2.923 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)c2coc(C3CC3)n2)cc1C ZINC001267437567 1094528096 /nfs/dbraw/zinc/52/80/96/1094528096.db2.gz UZQNAYUJLLFBQD-UHFFFAOYSA-N 1 0 343.427 2.731 10 10 EFCERO C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3C[C@H]3C3CCCC3)cc2)CC1 ZINC001598277477 1094666364 /nfs/dbraw/zinc/66/63/64/1094666364.db2.gz QDIMDEMDQKYSKW-PMACEKPBSA-N 1 0 341.499 2.881 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCC2(F)F)cc1C ZINC001268068752 1095165359 /nfs/dbraw/zinc/16/53/59/1095165359.db2.gz NBAGHRPFVDMUST-DZGCQCFKSA-N 1 0 340.414 2.985 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)Cc2ccco2)cc1C ZINC001268089794 1095265434 /nfs/dbraw/zinc/26/54/34/1095265434.db2.gz NBZBZMYXDAVCJW-HNNXBMFYSA-N 1 0 330.428 2.776 10 10 EFCERO COc1ccc(C[NH2+]CC[C@H]2CCCCN2C(=O)[C@@H](C)OC)cc1C ZINC001268145367 1095504927 /nfs/dbraw/zinc/50/49/27/1095504927.db2.gz LLROGGHRVYMXHH-SJLPKXTDSA-N 1 0 348.487 2.899 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)C2CC(F)(F)C2)cc1C ZINC001481219211 1095748102 /nfs/dbraw/zinc/74/81/02/1095748102.db2.gz RIXKJTHQSNEIRK-UHFFFAOYSA-N 1 0 326.387 2.597 10 10 EFCERO CC(C)C[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001267596227 1096119623 /nfs/dbraw/zinc/11/96/23/1096119623.db2.gz NAEFFUOCJUEOGY-CQSZACIVSA-N 1 0 345.447 2.899 10 10 EFCERO CC(C)[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CC1CCC1 ZINC001268226488 1096130757 /nfs/dbraw/zinc/13/07/57/1096130757.db2.gz AKNJMOYLEDGNGV-MRXNPFEDSA-N 1 0 345.447 2.993 10 10 EFCERO CC[C@@H](CNC(=O)Cc1cscn1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001481855267 1096807665 /nfs/dbraw/zinc/80/76/65/1096807665.db2.gz KGSCQJJTNJGYRS-HNNXBMFYSA-N 1 0 347.484 2.687 10 10 EFCERO CC[C@H](CNC(=O)c1c[nH]cc1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001481875598 1096839691 /nfs/dbraw/zinc/83/96/91/1096839691.db2.gz OJYQVKJPIZSMHL-MRXNPFEDSA-N 1 0 329.444 2.938 10 10 EFCERO CC(C)C[C@@H](C)C[NH+]1CC(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001268491806 1096961660 /nfs/dbraw/zinc/96/16/60/1096961660.db2.gz MDEJERWKMZHZKE-CYBMUJFWSA-N 1 0 345.447 2.945 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)Cc2cscn2)cc1C ZINC001482150686 1097407118 /nfs/dbraw/zinc/40/71/18/1097407118.db2.gz VGKJHBZSCXBEJM-CYBMUJFWSA-N 1 0 347.484 2.545 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCCC[C@H]2C[NH2+]CCF)cc1 ZINC001268771863 1097616026 /nfs/dbraw/zinc/61/60/26/1097616026.db2.gz UYVUAWGKHONUGM-ZFWWWQNUSA-N 1 0 349.410 2.697 10 10 EFCERO CC[C@H](CNC(=O)c1cscn1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001269377054 1098095837 /nfs/dbraw/zinc/09/58/37/1098095837.db2.gz APDWLPMGXBSEMI-CQSZACIVSA-N 1 0 333.457 2.758 10 10 EFCERO CC(=O)N1CCN(Cc2cc(C)cc(Br)c2O)[C@H](C)C1 ZINC000781912338 1098701546 /nfs/dbraw/zinc/70/15/46/1098701546.db2.gz PFMWWQUYFYQZOX-LLVKDONJSA-N 1 0 341.249 2.516 10 10 EFCERO COCC1(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001270239565 1098843538 /nfs/dbraw/zinc/84/35/38/1098843538.db2.gz LGNBCEIFYMLDGH-QGZVFWFLSA-N 1 0 346.471 2.511 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2c(C)ccn2C)cc1C ZINC001267979042 1099059505 /nfs/dbraw/zinc/05/95/05/1099059505.db2.gz KAHHFQHEPSAWTK-AWEZNQCLSA-N 1 0 343.471 2.806 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2nccs2)cc1C ZINC001268009526 1099164343 /nfs/dbraw/zinc/16/43/43/1099164343.db2.gz UYUWHOOTLJKMLE-GFCCVEGCSA-N 1 0 333.457 2.616 10 10 EFCERO C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCCCSc2nccs2)C1 ZINC001616241613 1099170462 /nfs/dbraw/zinc/17/04/62/1099170462.db2.gz PNLCWSMUMCSNGI-QWHCGFSZSA-N 1 0 327.519 2.862 10 10 EFCERO CC[NH+]1CCN(c2cccc(NC(=O)c3cccc(F)c3N)c2)CC1 ZINC001617050795 1099209416 /nfs/dbraw/zinc/20/94/16/1099209416.db2.gz KGKWTRTVYBPSEQ-UHFFFAOYSA-N 1 0 342.418 2.802 10 10 EFCERO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc(F)c(O)c3)c2)CC1 ZINC001617051133 1099209469 /nfs/dbraw/zinc/20/94/69/1099209469.db2.gz QALGRSPNTJFBFV-UHFFFAOYSA-N 1 0 343.402 2.926 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)C[C@@H]2CCCOC2)cc1C ZINC001270596767 1099240710 /nfs/dbraw/zinc/24/07/10/1099240710.db2.gz VEQXRZQQAXLBOE-QAPCUYQASA-N 1 0 348.487 2.662 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)c2c(C)nsc2C)cc1C ZINC001481319686 1099277700 /nfs/dbraw/zinc/27/77/00/1099277700.db2.gz CGCVOTKTAMACHZ-UHFFFAOYSA-N 1 0 347.484 2.939 10 10 EFCERO CCc1nc[nH]c1C(=O)NC[C@H](CC)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267825624 1099467299 /nfs/dbraw/zinc/46/72/99/1099467299.db2.gz QIMVLIUZGIBYKQ-HNNXBMFYSA-N 1 0 344.459 2.587 10 10 EFCERO CCc1nc[nH]c1C(=O)NC[C@@H](CC)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267825627 1099468310 /nfs/dbraw/zinc/46/83/10/1099468310.db2.gz QIMVLIUZGIBYKQ-OAHLLOKOSA-N 1 0 344.459 2.587 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CC(C)(F)F)cc1C ZINC001482326616 1099578923 /nfs/dbraw/zinc/57/89/23/1099578923.db2.gz FPLPZESASLLNKA-CYBMUJFWSA-N 1 0 328.403 2.985 10 10 EFCERO CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001624162910 1099666135 /nfs/dbraw/zinc/66/61/35/1099666135.db2.gz FSVWNEMIXJPXTL-UHFFFAOYSA-N 1 0 348.487 2.999 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C2(C)CCOCC2)cc1C ZINC001482342258 1099697319 /nfs/dbraw/zinc/69/73/19/1099697319.db2.gz JYOSRUWFIUHWGC-INIZCTEOSA-N 1 0 348.487 2.757 10 10 EFCERO CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000796701640 1099812904 /nfs/dbraw/zinc/81/29/04/1099812904.db2.gz HLVTUGVQCPHHOO-WDSOQIARSA-N 1 0 329.488 2.913 10 10 EFCERO C[N@H+](CCNC(=O)c1ccc(N=NC(N)=O)cc1)C1CCCCC1 ZINC001625759626 1099848712 /nfs/dbraw/zinc/84/87/12/1099848712.db2.gz XDUKONDRRUAVQS-UHFFFAOYSA-N 1 0 331.420 2.843 10 10 EFCERO COc1ccc(N(C)CCN(C)C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)cc1 ZINC001628468865 1100104951 /nfs/dbraw/zinc/10/49/51/1100104951.db2.gz NAPGOISVLVQGBT-ZACQAIPSSA-N 1 0 347.503 2.851 10 10 EFCERO O=C(NCc1cccc(O)c1O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC001633507402 1100546676 /nfs/dbraw/zinc/54/66/76/1100546676.db2.gz IEKUOEZWIGNDNV-UHFFFAOYSA-N 1 0 335.363 2.588 10 10 EFCERO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001633767074 1100564337 /nfs/dbraw/zinc/56/43/37/1100564337.db2.gz QKPMVUUWCGSWQS-WBVHZDCISA-N 1 0 346.471 2.753 10 10 EFCERO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCC[N@@H+]1CCC[C@H]1C ZINC001636267470 1100710354 /nfs/dbraw/zinc/71/03/54/1100710354.db2.gz PZJOXRASYWLKLJ-IAGOWNOFSA-N 1 0 346.519 2.776 10 10 EFCERO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1(C)C ZINC001639795994 1100984945 /nfs/dbraw/zinc/98/49/45/1100984945.db2.gz IIERWPHFVIYJBV-HUUCEWRRSA-N 1 0 334.441 2.771 10 10 EFCERO CCC(CC)Nc1cc[nH+]cc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001641616497 1101150757 /nfs/dbraw/zinc/15/07/57/1101150757.db2.gz GGQPJSCAOJUMRK-UHFFFAOYSA-N 1 0 329.400 2.696 10 10 EFCERO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001642997398 1101262237 /nfs/dbraw/zinc/26/22/37/1101262237.db2.gz AMDLBSVSZTYLAG-APWZRJJASA-N 1 0 331.504 2.983 10 10 EFCERO CN(C)c1ccc([C@@H](CNC(=O)c2cc(F)ccc2N)[NH+](C)C)cc1 ZINC001653421169 1101621092 /nfs/dbraw/zinc/62/10/92/1101621092.db2.gz JICKYLVDGWTWJJ-GOSISDBHSA-N 1 0 344.434 2.507 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CC[C@H](C)OC)C2)cc1C ZINC001266678498 1101856488 /nfs/dbraw/zinc/85/64/88/1101856488.db2.gz FFGGVDCFWQNFOR-BHYGNILZSA-N 1 0 334.460 2.556 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)C(C)(F)F)C2)cc1C ZINC001656178974 1101988038 /nfs/dbraw/zinc/98/80/38/1101988038.db2.gz KRTKFLJLSXKZRS-HDJSIYSDSA-N 1 0 326.387 2.643 10 10 EFCERO COc1ccc(C[NH2+][C@H](CNC(=O)c2ocnc2C)C(C)C)cc1C ZINC001482520542 1102554547 /nfs/dbraw/zinc/55/45/47/1102554547.db2.gz MNSCMGVIJCENQS-MRXNPFEDSA-N 1 0 345.443 2.844 10 10 EFCERO CN(C)c1ccc(CNC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cc1 ZINC000076204494 1102661367 /nfs/dbraw/zinc/66/13/67/1102661367.db2.gz OQPGRABJLBAFMX-GOSISDBHSA-N 1 0 344.503 2.816 10 10 EFCERO COc1ccc(C[NH2+]C2CCC(NC(=O)CC(C)(C)O)CC2)cc1C ZINC001266908110 1102662229 /nfs/dbraw/zinc/66/22/29/1102662229.db2.gz FMOKDWKBLZIXGY-UHFFFAOYSA-N 1 0 348.487 2.682 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)Cc2ccc(C)o2)cc1C ZINC001266933143 1102724062 /nfs/dbraw/zinc/72/40/62/1102724062.db2.gz KONUVIDKGPBITD-CQSZACIVSA-N 1 0 330.428 2.742 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CCc3ccoc3)C2)cc1C ZINC001266584542 1102907973 /nfs/dbraw/zinc/90/79/73/1102907973.db2.gz HMSXEBJXGNFSQY-IYARVYRRSA-N 1 0 342.439 2.966 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)COC(C)(C)C)C2)cc1C ZINC001266586848 1102917765 /nfs/dbraw/zinc/91/77/65/1102917765.db2.gz LWUWUSNFBKHSBO-WKILWMFISA-N 1 0 334.460 2.556 10 10 EFCERO COc1ccc(C[NH2+][C@@H](CNC(=O)Cc2ccoc2)C2CC2)cc1C ZINC001661122260 1103137118 /nfs/dbraw/zinc/13/71/18/1103137118.db2.gz LBNNNEWACOLPHC-SFHVURJKSA-N 1 0 342.439 2.824 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]CCCCCF)C2)cc1 ZINC001661515941 1103288529 /nfs/dbraw/zinc/28/85/29/1103288529.db2.gz WNKPCRLZSWKIOY-SHTZXODSSA-N 1 0 349.410 2.839 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CC[C@H]3CCOC3)C2)cc1C ZINC001661585798 1103330699 /nfs/dbraw/zinc/33/06/99/1103330699.db2.gz LKYAVCDXSFGHJT-RYQLBKOJSA-N 1 0 346.471 2.557 10 10 EFCERO Oc1cc2c(cc1C[N@@H+]1CC[C@@]3(CC(F)(F)C3(F)F)C1)[C@H](O)CO2 ZINC000905678821 1103494265 /nfs/dbraw/zinc/49/42/65/1103494265.db2.gz RBCQQAXFYYNYQW-TZMCWYRMSA-N 1 0 347.308 2.684 10 10 EFCERO C[C@]1(C2CC[NH+](Cc3cc4c(cc3O)CCCC4)CC2)COC(=O)N1 ZINC000905710819 1103523794 /nfs/dbraw/zinc/52/37/94/1103523794.db2.gz OBQVZTFRFNCTBB-HXUWFJFHSA-N 1 0 344.455 2.982 10 10 EFCERO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H](Cc3nccs3)C1)[C@H](O)CO2 ZINC000905732951 1103567927 /nfs/dbraw/zinc/56/79/27/1103567927.db2.gz CUXGOMPBVXWTHL-BLLLJJGKSA-N 1 0 346.452 2.729 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H](C)n2cccc2)cc1C ZINC001662195202 1103621080 /nfs/dbraw/zinc/62/10/80/1103621080.db2.gz IQLODWVRBOMRGH-HOTGVXAUSA-N 1 0 329.444 2.661 10 10 EFCERO C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]Cc1ccsc1 ZINC001662429315 1103696574 /nfs/dbraw/zinc/69/65/74/1103696574.db2.gz HNHUQSMLFCETKD-NSHDSACASA-N 1 0 345.428 2.819 10 10 EFCERO CCC[C@H]1CN(Cc2ccc(N(C)C)c(C)c2)CC[N@@H+]1CCOC ZINC001168252929 1104600724 /nfs/dbraw/zinc/60/07/24/1104600724.db2.gz VADAHRCTRGPMLP-IBGZPJMESA-N 1 0 333.520 2.994 10 10 EFCERO CC[C@@H](CNC(=O)c1cn(CC)cn1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001665873145 1104797882 /nfs/dbraw/zinc/79/78/82/1104797882.db2.gz ZXRZIPRQWGFMQV-INIZCTEOSA-N 1 0 344.459 2.518 10 10 EFCERO C[C@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1ccc(Cl)cc1O ZINC000841755572 1104822063 /nfs/dbraw/zinc/82/20/63/1104822063.db2.gz JIQULXQIVCSDKA-AAEUAGOBSA-N 1 0 346.880 2.510 10 10 EFCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)c2cc(C)no2)cc1C ZINC001482811401 1105035523 /nfs/dbraw/zinc/03/55/23/1105035523.db2.gz MSJGFWPOIXBUJW-ZDUSSCGKSA-N 1 0 331.416 2.598 10 10 EFCERO CCc1ocnc1C(=O)N[C@H](C)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001482821278 1105051637 /nfs/dbraw/zinc/05/16/37/1105051637.db2.gz OUKNZPVKPSAABT-CQSZACIVSA-N 1 0 345.443 2.852 10 10 EFCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)Cc2ccoc2)cc1C ZINC001482826193 1105057533 /nfs/dbraw/zinc/05/75/33/1105057533.db2.gz HWYFGIUQVXZOCQ-HNNXBMFYSA-N 1 0 330.428 2.824 10 10 EFCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)c1c[nH]cc1C ZINC001482966740 1105262381 /nfs/dbraw/zinc/26/23/81/1105262381.db2.gz HVYWDBQDQHQEQM-UHFFFAOYSA-N 1 0 329.444 2.892 10 10 EFCERO CC[C@H](F)C[NH2+]CCN(CC)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001482971171 1105269559 /nfs/dbraw/zinc/26/95/59/1105269559.db2.gz XQIPMMJQUAWHCI-ZDUSSCGKSA-N 1 0 337.399 2.649 10 10 EFCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)c2c(C)ccn2C)cc1C ZINC001668790299 1105373070 /nfs/dbraw/zinc/37/30/70/1105373070.db2.gz CTCGIJNBMZQKGX-AATRIKPKSA-N 1 0 341.455 2.726 10 10 EFCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCC2(F)F)cc1C ZINC001668877922 1105391858 /nfs/dbraw/zinc/39/18/58/1105391858.db2.gz SBHGHFLXZZILCZ-BWPKMQGJSA-N 1 0 338.398 2.811 10 10 EFCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)Cc2occc2C)cc1C ZINC001669033072 1105420854 /nfs/dbraw/zinc/42/08/54/1105420854.db2.gz CSWLWDVICAPNBI-PLNGDYQASA-N 1 0 342.439 2.910 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2cc(C3CC3)no2)cc1C ZINC001669411370 1105481659 /nfs/dbraw/zinc/48/16/59/1105481659.db2.gz GKZCRYQADYTJHP-CYBMUJFWSA-N 1 0 343.427 2.777 10 10 EFCERO CCc1ocnc1C(=O)NC/C=C/C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001482992594 1105494332 /nfs/dbraw/zinc/49/43/32/1105494332.db2.gz FQIIYFJCZHQGNM-AATRIKPKSA-N 1 0 343.427 2.630 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)CCc2cccnc2)cc1C ZINC001669606291 1105500652 /nfs/dbraw/zinc/50/06/52/1105500652.db2.gz KZIWTGYPOCMBEU-INIZCTEOSA-N 1 0 341.455 2.626 10 10 EFCERO COCC1(C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001671322223 1105627052 /nfs/dbraw/zinc/62/70/52/1105627052.db2.gz LGNBCEIFYMLDGH-KRWDZBQOSA-N 1 0 346.471 2.511 10 10 EFCERO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)COC(C)C)C[C@@H]2C)cc1C ZINC001672260273 1105787707 /nfs/dbraw/zinc/78/77/07/1105787707.db2.gz LIQXNIOWYTZCQW-WMZOPIPTSA-N 1 0 348.487 2.613 10 10 EFCERO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1ccc(N2CCCCC2)cc1 ZINC000841892458 1105854468 /nfs/dbraw/zinc/85/44/68/1105854468.db2.gz ZERWVGBRZFCWOO-ROUUACIJSA-N 1 0 331.504 2.564 10 10 EFCERO CC[N@H+](C)[C@H]1CCN(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC001673744235 1106080840 /nfs/dbraw/zinc/08/08/40/1106080840.db2.gz KMYVURMFUWESPH-LPHOPBHVSA-N 1 0 346.519 2.728 10 10 EFCERO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001673745485 1106081084 /nfs/dbraw/zinc/08/10/84/1106081084.db2.gz UYEJMSINGXLLDJ-VQIMIIECSA-N 1 0 346.519 2.776 10 10 EFCERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000841985764 1106094352 /nfs/dbraw/zinc/09/43/52/1106094352.db2.gz BOMLTHJIZGCQTQ-RHSMWYFYSA-N 1 0 343.427 2.695 10 10 EFCERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000841985762 1106095116 /nfs/dbraw/zinc/09/51/16/1106095116.db2.gz BOMLTHJIZGCQTQ-PBHICJAKSA-N 1 0 343.427 2.695 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2ccc(F)nc2)cc1C ZINC001674172315 1106155623 /nfs/dbraw/zinc/15/56/23/1106155623.db2.gz VNWIPJWXIAIKFN-AWEZNQCLSA-N 1 0 345.418 2.836 10 10 EFCERO CC[C@H](C)CCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001674247162 1106159407 /nfs/dbraw/zinc/15/94/07/1106159407.db2.gz IKJOCVKYPZYEMP-INIZCTEOSA-N 1 0 332.492 2.674 10 10 EFCERO CC[C@@H](C)CCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001674247163 1106159665 /nfs/dbraw/zinc/15/96/65/1106159665.db2.gz IKJOCVKYPZYEMP-MRXNPFEDSA-N 1 0 332.492 2.674 10 10 EFCERO c1cc(N2CCOCC2)ccc1C[NH2+]C[C@]12C[C@H]1COC21CCC1 ZINC000898065460 1106217936 /nfs/dbraw/zinc/21/79/36/1106217936.db2.gz KJBKMCSTXRZACB-PKOBYXMFSA-N 1 0 328.456 2.572 10 10 EFCERO CCCCC(=O)N1CCO[C@H]([C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001675568660 1106387098 /nfs/dbraw/zinc/38/70/98/1106387098.db2.gz BNUBAPODNSFNOG-APWZRJJASA-N 1 0 348.487 2.899 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2coc(C)n2)cc1C ZINC001676337205 1106516624 /nfs/dbraw/zinc/51/66/24/1106516624.db2.gz UYBAHQGCAPFFIY-ZDUSSCGKSA-N 1 0 331.416 2.550 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2conc2C)cc1C ZINC001676414306 1106527355 /nfs/dbraw/zinc/52/73/55/1106527355.db2.gz YZLXCWRJUJYFNM-ZDUSSCGKSA-N 1 0 331.416 2.550 10 10 EFCERO CC(C)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001272342362 1107979723 /nfs/dbraw/zinc/97/97/23/1107979723.db2.gz GQGJNDFOMKKALR-ZBFHGGJFSA-N 1 0 345.447 2.993 10 10 EFCERO CC[C@@H]([NH2+]CC[C@@H]1CNC(=O)C1)c1ccc(C(F)(F)F)cc1O ZINC000926981974 1108422062 /nfs/dbraw/zinc/42/20/62/1108422062.db2.gz ZFLVGXBSIJZCGT-GXFFZTMASA-N 1 0 330.350 2.978 10 10 EFCERO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)C(C)(C)CO ZINC000924718645 1108851979 /nfs/dbraw/zinc/85/19/79/1108851979.db2.gz ZQXYQKZKHDZUOO-QLFBSQMISA-N 1 0 338.467 2.936 10 10 EFCERO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000899202692 1109245250 /nfs/dbraw/zinc/24/52/50/1109245250.db2.gz ZEGUYTZYLXPIRD-VXGBXAGGSA-N 1 0 332.425 2.621 10 10 EFCERO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000899202688 1109245540 /nfs/dbraw/zinc/24/55/40/1109245540.db2.gz ZEGUYTZYLXPIRD-NEPJUHHUSA-N 1 0 332.425 2.621 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3CCO[C@H](C)C3)CC2)cc1C ZINC001483778714 1112437921 /nfs/dbraw/zinc/43/79/21/1112437921.db2.gz LRZCUCWCQFNDMU-NVXWUHKLSA-N 1 0 346.471 2.557 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3CC3(F)F)CCC2)cc1C ZINC001484633249 1113072777 /nfs/dbraw/zinc/07/27/77/1113072777.db2.gz FAZVHMPXNRUWOP-AWEZNQCLSA-N 1 0 338.398 2.787 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)C[C@@H](C)OC)CCC2)cc1C ZINC001484625953 1113076220 /nfs/dbraw/zinc/07/62/20/1113076220.db2.gz DQJJDWSAZDOYDR-OAHLLOKOSA-N 1 0 334.460 2.557 10 10 EFCERO COc1ccc(C[NH2+][C@@H]2CN(C(=O)CCC(F)F)C[C@@H]2C)cc1C ZINC001484894971 1117810637 /nfs/dbraw/zinc/81/06/37/1117810637.db2.gz ICEYHCWKUXEZTC-DZGCQCFKSA-N 1 0 340.414 2.985 10 10 EFCERO CCC[NH2+]C1(C)CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001484928045 1117832559 /nfs/dbraw/zinc/83/25/59/1117832559.db2.gz DPBMAIFEUYQCHZ-UHFFFAOYSA-N 1 0 331.420 2.843 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CC(F)(F)F)cc1C ZINC001485128063 1118074538 /nfs/dbraw/zinc/07/45/38/1118074538.db2.gz NQKBQPKHEFXZGQ-VXGBXAGGSA-N 1 0 332.366 2.939 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)COC(C)(C)C)cc1C ZINC001485140974 1118093392 /nfs/dbraw/zinc/09/33/92/1118093392.db2.gz XXWKOZUIUXDNBZ-CABCVRRESA-N 1 0 336.476 2.802 10 10 EFCERO COc1ccc(C[NH2+]C2CCC(N(C)C(=O)[C@@H](C)OC)CC2)cc1C ZINC001485236532 1118161800 /nfs/dbraw/zinc/16/18/00/1118161800.db2.gz DBUWOTWCZVEXKL-FAEJEUNOSA-N 1 0 348.487 2.898 10 10 EFCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)c2oc(C)nc2C)cc1C ZINC001272703585 1118699336 /nfs/dbraw/zinc/69/93/36/1118699336.db2.gz MWTCZGYSIUZFIR-CYBMUJFWSA-N 1 0 345.443 2.907 10 10 EFCERO Cc1nccc(N2CC[NH+](Cc3cc4c(cc3O)CCCC4)CC2)n1 ZINC000184106743 1118930445 /nfs/dbraw/zinc/93/04/45/1118930445.db2.gz CYXHOFRGJRDNOC-UHFFFAOYSA-N 1 0 338.455 2.692 10 10 EFCERO COc1ccc(N2CCN(C(=O)C[NH2+][C@@H](C)C3CCCC3)CC2)cc1 ZINC000184651554 1119288029 /nfs/dbraw/zinc/28/80/29/1119288029.db2.gz GBMPKRTUYHXRMW-INIZCTEOSA-N 1 0 345.487 2.512 10 10 EFCERO CN1CCc2cc(C[NH2+]C[C@@H]3CC(=O)N(Cc4ccccc4)C3)ccc21 ZINC000179049954 529812499 /nfs/dbraw/zinc/81/24/99/529812499.db2.gz MIQXHCYLUBTXAW-IBGZPJMESA-N 1 0 349.478 2.817 10 10 EFCERO COc1cc(O)c(C[N@@H+]2CCC[C@@H](n3cc(C)cn3)C2)cc1OC ZINC000160263301 239047769 /nfs/dbraw/zinc/04/77/69/239047769.db2.gz ZQFPOEHTSIAPDP-OAHLLOKOSA-N 1 0 331.416 2.751 10 10 EFCERO COc1ccnc(NC2CC[NH+](Cc3cc(C)ccc3O)CC2)n1 ZINC000191688858 240003523 /nfs/dbraw/zinc/00/35/23/240003523.db2.gz XPURXLIRUMSSKW-UHFFFAOYSA-N 1 0 328.416 2.576 10 10 EFCERO Cc1cccc(C[NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)c1O ZINC000191806982 240008312 /nfs/dbraw/zinc/00/83/12/240008312.db2.gz UNCNTSNVKMIEIN-KRWDZBQOSA-N 1 0 328.387 2.730 10 10 EFCERO CCOc1ccc(O)c(C[NH+]2CCC(c3nc(N(C)C)no3)CC2)c1 ZINC000191909519 240011179 /nfs/dbraw/zinc/01/11/79/240011179.db2.gz ZEFMFOAHLNWTAY-UHFFFAOYSA-N 1 0 346.431 2.620 10 10 EFCERO C[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@@H]12)c1ccc(N2CCC(O)CC2)cc1 ZINC000252010566 240306091 /nfs/dbraw/zinc/30/60/91/240306091.db2.gz XNURKWRZPHVSMA-VVHHDAOASA-N 1 0 330.472 2.866 10 10 EFCERO C[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@H]1N1CCOCC1 ZINC000245774444 240261654 /nfs/dbraw/zinc/26/16/54/240261654.db2.gz SJZXBWLPYVIPPW-GHTZIAJQSA-N 1 0 343.515 2.829 10 10 EFCERO CN(C)c1ccc(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1F ZINC000247355043 240280238 /nfs/dbraw/zinc/28/02/38/240280238.db2.gz YIZWWKITFNBGJH-DOTOQJQBSA-N 1 0 348.466 2.517 10 10 EFCERO Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@@H](O)CN2Cc2ccccc2)c(O)c1 ZINC000248515201 240290773 /nfs/dbraw/zinc/29/07/73/240290773.db2.gz NYJBKVOHPLOXTO-YTQUADARSA-N 1 0 340.467 2.987 10 10 EFCERO Cc1cc(N2CCC[C@@H]([NH2+]Cc3ccc(N(C)C)c(F)c3)C2)n(C)n1 ZINC000277468531 240778657 /nfs/dbraw/zinc/77/86/57/240778657.db2.gz CBAAYCAYLQHGHY-MRXNPFEDSA-N 1 0 345.466 2.692 10 10 EFCERO CCOCc1cc(C[NH2+]C2(CO)Cc3ccccc3C2)ccc1OC ZINC000361429869 242223287 /nfs/dbraw/zinc/22/32/87/242223287.db2.gz PNRQKMHRGPYFCZ-UHFFFAOYSA-N 1 0 341.451 2.851 10 10 EFCERO Cc1noc(C)c1C(=O)N[C@H](C)c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000055711216 258061012 /nfs/dbraw/zinc/06/10/12/258061012.db2.gz ILQYCZFSBLFVDY-CYBMUJFWSA-N 1 0 342.443 2.534 10 10 EFCERO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]Cc3cccc(F)c3)cc2)C1 ZINC000054178972 132190067 /nfs/dbraw/zinc/19/00/67/132190067.db2.gz IZMFPSYAYKLFDM-QGZVFWFLSA-N 1 0 341.430 2.817 10 10 EFCERO CC[NH+](CC)[C@@H](C)CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000153471574 276111901 /nfs/dbraw/zinc/11/19/01/276111901.db2.gz RUKBZYGMUVEYDI-INIZCTEOSA-N 1 0 330.476 2.592 10 10 EFCERO COc1c([O-])c(C[NH+]2CCC(C[NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000365795439 277365011 /nfs/dbraw/zinc/36/50/11/277365011.db2.gz NLLSVCMIYMIWGR-UHFFFAOYSA-N 1 0 349.431 2.617 10 10 EFCERO CC[NH+](CC)[C@H](C)CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000049132607 279159034 /nfs/dbraw/zinc/15/90/34/279159034.db2.gz HZHHPNOYZMPIRH-MRXNPFEDSA-N 1 0 332.492 2.816 10 10 EFCERO COc1cc(Br)cc(CN[C@@H]2CC[NH2+]C23CCC3)c1O ZINC000530179164 317071660 /nfs/dbraw/zinc/07/16/60/317071660.db2.gz USORHNPRBHADFP-CYBMUJFWSA-N 1 0 341.249 2.538 10 10 EFCERO 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COc1cccc(C[N@@H+]2CCCN(C(=O)c3cccs3)CC2)c1O ZINC000093385877 473100470 /nfs/dbraw/zinc/10/04/70/473100470.db2.gz LSAKIWXTKSRLKN-UHFFFAOYSA-N 1 0 346.452 2.810 10 10 EFCERO Cc1cc(NC(=O)C2CC[NH+](Cc3cc(C)ccc3O)CC2)no1 ZINC000123400254 473136834 /nfs/dbraw/zinc/13/68/34/473136834.db2.gz ZSELJCATRSUKSG-UHFFFAOYSA-N 1 0 329.400 2.848 10 10 EFCERO CCOc1ccc(O)c(C[NH2+][C@@H]2C[C@@H](OCC)C23CCOCC3)c1 ZINC000185665296 473482568 /nfs/dbraw/zinc/48/25/68/473482568.db2.gz OLQQAKKGZIPUTI-QZTJIDSGSA-N 1 0 335.444 2.855 10 10 EFCERO CCOc1cccc(C[NH2+][C@H]2C[C@H](OCC)C23CCOCC3)c1O ZINC000185671146 473485552 /nfs/dbraw/zinc/48/55/52/473485552.db2.gz RWOCLIGVWMFXQH-IRXDYDNUSA-N 1 0 335.444 2.855 10 10 EFCERO C[C@H]([NH2+]CCCN1C(=O)COc2ccccc21)c1cc(F)ccc1O ZINC000186079049 473586321 /nfs/dbraw/zinc/58/63/21/473586321.db2.gz HOUUFABOXCKHKR-ZDUSSCGKSA-N 1 0 344.386 2.998 10 10 EFCERO Cc1cc(C)n(C[C@H]2C[N@H+](Cc3cc(C)c(C)cc3O)CCO2)n1 ZINC000152860051 473597184 /nfs/dbraw/zinc/59/71/84/473597184.db2.gz 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C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O)c1ccc(N(C)C)cc1 ZINC000283457516 474409203 /nfs/dbraw/zinc/40/92/03/474409203.db2.gz VDNMBGBLHUMQQE-WDYCEAGBSA-N 1 0 332.488 2.971 10 10 EFCERO CC(C)C[C@H]([NH2+][C@H](C)c1ccccc1O)c1nc(-c2nc[nH]n2)no1 ZINC000183669648 474410070 /nfs/dbraw/zinc/41/00/70/474410070.db2.gz DCKHJCPWBGVUGA-YPMHNXCESA-N 1 0 342.403 2.998 10 10 EFCERO CC1(C)[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)[C@H]2CCCO[C@@H]21 ZINC000266188740 474424065 /nfs/dbraw/zinc/42/40/65/474424065.db2.gz XRQSHYXTKCIDHU-QRVBRYPASA-N 1 0 330.472 2.816 10 10 EFCERO COc1cc(Cl)cc(C[NH2+]C2CCC(NC(C)=O)CC2)c1O ZINC000290276552 474564150 /nfs/dbraw/zinc/56/41/50/474564150.db2.gz YPPWCAYYPCTZLW-UHFFFAOYSA-N 1 0 326.824 2.591 10 10 EFCERO COc1cc(Br)cc(C[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)c1O ZINC000190331375 474579348 /nfs/dbraw/zinc/57/93/48/474579348.db2.gz ZCWVSUBGXXASBS-JHJVBQTASA-N 1 0 342.233 2.820 10 10 EFCERO CCOc1ccc(O)c(C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)c1 ZINC000291025632 474591071 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Cc1ccncc1C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000279851889 474995489 /nfs/dbraw/zinc/99/54/89/474995489.db2.gz IKEAZKZJNKEXMR-UHFFFAOYSA-N 1 0 329.419 2.780 10 10 EFCERO COc1ccc(F)c(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000293472038 474996347 /nfs/dbraw/zinc/99/63/47/474996347.db2.gz FAJHQGVIPQNMNT-UHFFFAOYSA-N 1 0 330.403 2.961 10 10 EFCERO COc1cc(Cl)cc(C[N@@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)c1O ZINC000280406318 475023674 /nfs/dbraw/zinc/02/36/74/475023674.db2.gz YFKJRMOUIJFJTA-QGZVFWFLSA-N 1 0 341.835 2.824 10 10 EFCERO [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000293538305 475027688 /nfs/dbraw/zinc/02/76/88/475027688.db2.gz FQYXRPPLSITAKD-UHFFFAOYSA-N 1 0 329.799 2.814 10 10 EFCERO CC[N@@H+]1CC[C@H]2OCCN(Cc3ccc(N4CCCCC4)cc3)[C@H]2C1 ZINC000293719091 475049773 /nfs/dbraw/zinc/04/97/73/475049773.db2.gz TUQNOZJFGRNYCD-LEWJYISDSA-N 1 0 343.515 2.972 10 10 EFCERO CN(Cc1cccs1)c1ccc(C[N@@H+]2CCOC[C@@H](O)C2)cc1 ZINC000294677533 475078946 /nfs/dbraw/zinc/07/89/46/475078946.db2.gz BIMYBTMZLAJEDU-KRWDZBQOSA-N 1 0 332.469 2.578 10 10 EFCERO CN(Cc1cccs1)c1ccc(C[N@@H+]2CC[C@H](NC(N)=O)C2)cc1 ZINC000294763946 475081619 /nfs/dbraw/zinc/08/16/19/475081619.db2.gz IYSKZWCLDAWFGX-HNNXBMFYSA-N 1 0 344.484 2.627 10 10 EFCERO CCN(CC)c1ccc(C[N@H+](C)[C@H]2CCN3CCO[C@H]2C3)cc1F ZINC000295133996 475105423 /nfs/dbraw/zinc/10/54/23/475105423.db2.gz OWZMDPMAXSPZOK-OALUTQOASA-N 1 0 335.467 2.577 10 10 EFCERO CCOc1cccc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c1O ZINC000373975126 476445265 /nfs/dbraw/zinc/44/52/65/476445265.db2.gz GLXXOIZHTZHXDU-DOXZYTNZSA-N 1 0 335.444 2.949 10 10 EFCERO COc1cccc(C[NH2+][C@@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)c1O ZINC000374266293 476465324 /nfs/dbraw/zinc/46/53/24/476465324.db2.gz VFASSMAORNOJCN-RHSMWYFYSA-N 1 0 340.423 2.680 10 10 EFCERO Cn1ccnc1[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000369684559 476476654 /nfs/dbraw/zinc/47/66/54/476476654.db2.gz VUAQKSOZJWBOSP-SFHVURJKSA-N 1 0 340.471 2.636 10 10 EFCERO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](c3ccnc(N)n3)C2)c1O ZINC000377730360 476550155 /nfs/dbraw/zinc/55/01/55/476550155.db2.gz ZBBXUTFTOHHZTO-LLVKDONJSA-N 1 0 348.834 2.636 10 10 EFCERO Cc1cc(O)c(C[N@@H+](C)C2CCN(c3cnccn3)CC2)cc1C ZINC000370040707 476644475 /nfs/dbraw/zinc/64/44/75/476644475.db2.gz MGLCOGBWTHDOFO-UHFFFAOYSA-N 1 0 326.444 2.900 10 10 EFCERO Oc1cc(OCc2ccccc2)ccc1C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000375285665 476757004 /nfs/dbraw/zinc/75/70/04/476757004.db2.gz DSPHGXKJGLEOJT-IBGZPJMESA-N 1 0 325.408 2.928 10 10 EFCERO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1cccc(O)c1O ZINC000377046397 477616579 /nfs/dbraw/zinc/61/65/79/477616579.db2.gz LZSAUUSGBCQSLS-OAHLLOKOSA-N 1 0 340.423 2.834 10 10 EFCERO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](c3ccnc(N)n3)C2)c1O ZINC000368038812 477780560 /nfs/dbraw/zinc/78/05/60/477780560.db2.gz DHLNSQYERXRDNW-LBPRGKRZSA-N 1 0 332.835 2.936 10 10 EFCERO COc1cc(O)c(CNc2ccc3c(c2)OCC[NH2+]C3)cc1OC ZINC000530183719 477877996 /nfs/dbraw/zinc/87/79/96/477877996.db2.gz UXAHVZQJZYQHJX-UHFFFAOYSA-N 1 0 330.384 2.504 10 10 EFCERO [O-]c1c(F)cc(Cl)cc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530248537 477879653 /nfs/dbraw/zinc/87/96/53/477879653.db2.gz LVZSJBDTRVUQJN-HNNXBMFYSA-N 1 0 342.842 2.775 10 10 EFCERO CCOc1cccc(C[NH2+]C[C@H]2c3ccccc3C(=O)N2C)c1O ZINC000527804254 478527798 /nfs/dbraw/zinc/52/77/98/478527798.db2.gz CMUYHPJVJDEIMB-INIZCTEOSA-N 1 0 326.396 2.707 10 10 EFCERO COc1ccc(CN2CC[C@H]2C[NH2+]Cc2cc(F)ccc2O)cc1 ZINC000529644864 479234615 /nfs/dbraw/zinc/23/46/15/479234615.db2.gz PWLNZKAHCHIPEN-KRWDZBQOSA-N 1 0 330.403 2.904 10 10 EFCERO C[C@H]1CN(Cc2cccc3c2CC[NH2+]C3)c2ccccc2N(C)C1=O ZINC000662258495 481671920 /nfs/dbraw/zinc/67/19/20/481671920.db2.gz XXEKVUCKTWBVOY-HNNXBMFYSA-N 1 0 335.451 2.951 10 10 EFCERO CC1(C)CN(C(=O)c2cn[nH]c2[C@H]2CC[NH2+]C2)c2cc(F)ccc21 ZINC000662582887 481886319 /nfs/dbraw/zinc/88/63/19/481886319.db2.gz RVXPUUIINNMENR-NSHDSACASA-N 1 0 328.391 2.564 10 10 EFCERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000177541210 529095299 /nfs/dbraw/zinc/09/52/99/529095299.db2.gz XIXALJAQLOMYLC-IBGZPJMESA-N 1 0 342.487 2.689 10 10 EFCERO Cc1ccc(/C=C/C(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)cn1 ZINC000754359784 575424938 /nfs/dbraw/zinc/42/49/38/575424938.db2.gz ZTMIIVIALHWMEM-DVQDXYAYSA-N 1 0 337.423 2.759 10 10 EFCERO c1cc(N2CCOCC2)ccc1C[NH2+]CCc1cnc(C2CC2)nc1 ZINC000756046206 575676328 /nfs/dbraw/zinc/67/63/28/575676328.db2.gz MVICTBBCHXSKPU-UHFFFAOYSA-N 1 0 338.455 2.523 10 10 EFCERO C[C@H]([NH2+]CCCN1CCCS1(=O)=O)c1ccc2ccccc2c1O ZINC000756686595 575776878 /nfs/dbraw/zinc/77/68/78/575776878.db2.gz JFABLPWMZNPHJC-AWEZNQCLSA-N 1 0 348.468 2.622 10 10 EFCERO C[C@H]([NH2+]CC[C@H](C)[S@@](C)=O)c1cc(Br)ccc1O ZINC000756762640 575784733 /nfs/dbraw/zinc/78/47/33/575784733.db2.gz PMMIKSTUKQJZMZ-LXIMFEHMSA-N 1 0 334.279 2.962 10 10 EFCERO C[C@@H](C[N@H+](Cc1ccccc1O)C1CCCC1)CS(C)(=O)=O ZINC000757842820 575854338 /nfs/dbraw/zinc/85/43/38/575854338.db2.gz FBJOUJORWBJWPA-AWEZNQCLSA-N 1 0 325.474 2.818 10 10 EFCERO CCCN(CCC)c1ccc(C[N@@H+]2CCN3CCOC[C@H]3C2)cc1 ZINC000757930354 575856037 /nfs/dbraw/zinc/85/60/37/575856037.db2.gz NSYODGOZGLLDPU-HXUWFJFHSA-N 1 0 331.504 2.829 10 10 EFCERO Oc1cc2c(cc1C[N@@H+]1CCO[C@H](C3CCCCC3)C1)[C@H](O)CO2 ZINC000758293441 575865762 /nfs/dbraw/zinc/86/57/62/575865762.db2.gz ZNPXYNNXGDGVRI-MJGOQNOKSA-N 1 0 333.428 2.599 10 10 EFCERO COc1ccc2ccc(O)c(C[N@@H+]3CCN4C(=O)OCC[C@@H]4C3)c2c1 ZINC000763313785 576372035 /nfs/dbraw/zinc/37/20/35/576372035.db2.gz JWLATWUEWKAYCN-CQSZACIVSA-N 1 0 342.395 2.581 10 10 EFCERO Cc1cc(CC[NH2+]C2CCN(C(N)=O)CC2)c(C)n1-c1ccccc1 ZINC000764717495 576493208 /nfs/dbraw/zinc/49/32/08/576493208.db2.gz QEGLVGSAWUAJKA-UHFFFAOYSA-N 1 0 340.471 2.769 10 10 EFCERO COC(=O)c1cc2ccccc2c(C[N@@H+]2CCO[C@H](C)[C@@H]2C)c1O ZINC000765098057 577006671 /nfs/dbraw/zinc/00/66/71/577006671.db2.gz CQJJDYZODKGNPS-QWHCGFSZSA-N 1 0 329.396 2.941 10 10 EFCERO C[C@H]([NH2+][C@H]1CCCN(C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000765281840 577026790 /nfs/dbraw/zinc/02/67/90/577026790.db2.gz SVDLCIMFBABDAQ-GJZGRUSLSA-N 1 0 337.895 2.921 10 10 EFCERO CCC[N@@H+]1CCC[C@H]1C(=O)NCc1cccc(Br)c1O ZINC000765769260 577074391 /nfs/dbraw/zinc/07/43/91/577074391.db2.gz KXEBSEKESBSYSA-ZDUSSCGKSA-N 1 0 341.249 2.645 10 10 EFCERO CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1cccc(Br)c1O ZINC000765769256 577074435 /nfs/dbraw/zinc/07/44/35/577074435.db2.gz KXEBSEKESBSYSA-CYBMUJFWSA-N 1 0 341.249 2.645 10 10 EFCERO CCOc1ccc(C[NH2+][C@H]2CCCN(c3cc(C)nn3C)C2)c(O)c1 ZINC000767738701 577231099 /nfs/dbraw/zinc/23/10/99/577231099.db2.gz FYEYVSDPJGWUML-INIZCTEOSA-N 1 0 344.459 2.591 10 10 EFCERO COc1cccc(N2C[C@H]([NH2+]Cc3cc(Cl)ccc3O)CC2=O)c1 ZINC000725853821 577251168 /nfs/dbraw/zinc/25/11/68/577251168.db2.gz XRTAOPIQTMXHHX-CQSZACIVSA-N 1 0 346.814 2.949 10 10 EFCERO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C[C@@H](c2ccccc2)O1 ZINC000768442225 577273773 /nfs/dbraw/zinc/27/37/73/577273773.db2.gz KTEKGKRJQRKOIA-YHBQJITHSA-N 1 0 341.407 2.780 10 10 EFCERO Oc1cc2c(cc1C[NH+]1CCC(c3cccnc3)CC1)[C@H](O)CO2 ZINC000768458598 577275416 /nfs/dbraw/zinc/27/54/16/577275416.db2.gz CRORJHPEVTUUQE-GOSISDBHSA-N 1 0 326.396 2.593 10 10 EFCERO COC(=O)[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000768460716 577275636 /nfs/dbraw/zinc/27/56/36/577275636.db2.gz OCSYMVVYZLVNFR-HNNXBMFYSA-N 1 0 347.415 2.580 10 10 EFCERO CC(C)[N@H+](CCc1nccs1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768465418 577276199 /nfs/dbraw/zinc/27/61/99/577276199.db2.gz LVNUTUVEZOUPCQ-HNNXBMFYSA-N 1 0 334.441 2.728 10 10 EFCERO CCCN(CCC)c1ccc(CN2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000769327926 577352491 /nfs/dbraw/zinc/35/24/91/577352491.db2.gz OHURQPGSAKODJB-GOSISDBHSA-N 1 0 333.520 2.811 10 10 EFCERO CCOc1ccc(C[N@@H+]2CCN(CC(F)F)[C@H](CC)C2)c(O)c1 ZINC000769513733 577368945 /nfs/dbraw/zinc/36/89/45/577368945.db2.gz HTNAGVFICXWQDY-CQSZACIVSA-N 1 0 328.403 2.952 10 10 EFCERO Fc1cc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)ccc1N1CCOCC1 ZINC000770286533 577410067 /nfs/dbraw/zinc/41/00/67/577410067.db2.gz QQOMALAWEQGNHM-AEFFLSMTSA-N 1 0 334.435 2.663 10 10 EFCERO COc1ccc(N2CCC([NH2+][C@H]3CCO[C@]4(CCOC4)C3)CC2)cc1 ZINC000773154451 581401351 /nfs/dbraw/zinc/40/13/51/581401351.db2.gz YQUUKEHKYBGNFI-FXAWDEMLSA-N 1 0 346.471 2.592 10 10 EFCERO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)cc1 ZINC000773758544 581462448 /nfs/dbraw/zinc/46/24/48/581462448.db2.gz VLMKVFUULRMCMN-GOSISDBHSA-N 1 0 329.488 2.977 10 10 EFCERO C[NH+](C)Cc1ccc(C(=O)NCc2c(O)ccc3c2CCCC3)cn1 ZINC000774441304 581491594 /nfs/dbraw/zinc/49/15/94/581491594.db2.gz XSRKVICJLYPPAE-UHFFFAOYSA-N 1 0 339.439 2.658 10 10 EFCERO C[C@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1cc(Cl)ccc1O ZINC000850485464 1250502784 /nfs/dbraw/zinc/50/27/84/1250502784.db2.gz JCYBNQZNGNTSIE-NSHDSACASA-N 1 0 331.865 2.911 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)[C@H](C)c2ccco2)cc1C ZINC001691473493 1249195807 /nfs/dbraw/zinc/19/58/07/1249195807.db2.gz CNTNAKFDIGUACO-OAHLLOKOSA-N 1 0 330.428 2.948 10 10 EFCERO CC(C)[N@H+](CCF)CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001691766541 1249586894 /nfs/dbraw/zinc/58/68/94/1249586894.db2.gz BMOTZWVFVXWDGK-UHFFFAOYSA-N 1 0 337.399 2.649 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)Cc3ccoc3)C2)cc1C ZINC001691494609 1249641800 /nfs/dbraw/zinc/64/18/00/1249641800.db2.gz FRJWUPAKDHKVRA-IYARVYRRSA-N 1 0 342.439 2.824 10 10 EFCERO Cn1ncc(C2CCC2)c1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000850068957 1250259653 /nfs/dbraw/zinc/25/96/53/1250259653.db2.gz JQINUPLVFHEYGL-UHFFFAOYSA-N 1 0 340.471 2.814 10 10 EFCERO COC[C@@](C)(CCO)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850174988 1250336474 /nfs/dbraw/zinc/33/64/74/1250336474.db2.gz BVXCDKUYFAXXDN-GOSISDBHSA-N 1 0 325.449 2.575 10 10 EFCERO Cc1cc(CCNC(=O)NC[C@@H]2CC[N@H+]2C)c(C)n1-c1ccccc1 ZINC001687219237 1248102026 /nfs/dbraw/zinc/10/20/26/1248102026.db2.gz RUGHDVMNDLKMFX-IBGZPJMESA-N 1 0 340.471 2.640 10 10 EFCERO CC[C@@H](OC)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001691212118 1248540223 /nfs/dbraw/zinc/54/02/23/1248540223.db2.gz CXMCCPVTBGCWNW-RCCFBDPRSA-N 1 0 348.487 2.803 10 10 EFCERO COc1ccc(N2CC[C@@H]([NH2+]Cc3ncc(CN(C)C)s3)C2)cc1 ZINC000850346545 1250440488 /nfs/dbraw/zinc/44/04/88/1250440488.db2.gz GVHDZUCPGRDPFL-CQSZACIVSA-N 1 0 346.500 2.582 10 10 EFCERO COc1ccc(N2CC[C@@H]([NH2+]Cc3c(C4CC4)cnn3C)C2)cc1 ZINC000850346516 1250441337 /nfs/dbraw/zinc/44/13/37/1250441337.db2.gz GPUGHJPFSBIXDS-OAHLLOKOSA-N 1 0 326.444 2.675 10 10 EFCERO CCN(CC)c1ccc(C[NH2+][C@@H]2CC[C@H](C)S(=O)(=O)C2)cc1F ZINC000850367551 1250450382 /nfs/dbraw/zinc/45/03/82/1250450382.db2.gz ADTPNYPFOWBEHJ-DZGCQCFKSA-N 1 0 342.480 2.727 10 10 EFCERO O=[N+]([O-])c1cc(C[NH2+][C@H]2C[C@@H](O)C23CCC3)ccc1N1CCCCC1 ZINC000850389445 1250461590 /nfs/dbraw/zinc/46/15/90/1250461590.db2.gz XGEINDIUQGNYGQ-ZWKOTPCHSA-N 1 0 345.443 2.978 10 10 EFCERO CC[C@@H]1C[C@H](C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCO1 ZINC000850406337 1250469944 /nfs/dbraw/zinc/46/99/44/1250469944.db2.gz CCOKXFNHQIOWHS-YLJYHZDGSA-N 1 0 332.488 2.943 10 10 EFCERO COc1ccc(N2CCN(CC[NH2+][C@H]3CCCC34CC4)CC2)cc1 ZINC000850429897 1250482510 /nfs/dbraw/zinc/48/25/10/1250482510.db2.gz UIJFHXYNCBOEQW-IBGZPJMESA-N 1 0 329.488 2.740 10 10 EFCERO COc1ccc(N2CCC([NH2+][C@@H]3CCCn4nccc43)CC2)cc1 ZINC000850429797 1250482551 /nfs/dbraw/zinc/48/25/51/1250482551.db2.gz JLHRWJVTOJGYKC-GOSISDBHSA-N 1 0 326.444 2.985 10 10 EFCERO FCC1(CF)CC([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)C1 ZINC000850473967 1250497448 /nfs/dbraw/zinc/49/74/48/1250497448.db2.gz JNPMOWVLDVRAIB-UHFFFAOYSA-N 1 0 346.368 2.979 10 10 EFCERO COC[C@H](CC1CCOCC1)[NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850488791 1250501353 /nfs/dbraw/zinc/50/13/53/1250501353.db2.gz UJRLDBKBOOVHRA-MSOLQXFVSA-N 1 0 348.487 2.695 10 10 EFCERO COc1ccc(N2CC[C@H]([NH2+][C@@H](c3nccn3C)C3CC3)C2)cc1 ZINC000850486194 1250502002 /nfs/dbraw/zinc/50/20/02/1250502002.db2.gz AOSUCTNAIZYFJR-MAUKXSAKSA-N 1 0 326.444 2.748 10 10 EFCERO COc1ccc(N2CC[C@H]([NH2+][C@H](c3nccn3C)C3CC3)C2)cc1 ZINC000850486196 1250502441 /nfs/dbraw/zinc/50/24/41/1250502441.db2.gz AOSUCTNAIZYFJR-YJBOKZPZSA-N 1 0 326.444 2.748 10 10 EFCERO C[C@@H]([NH2+][C@H](CO)C1CCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000850486981 1250503853 /nfs/dbraw/zinc/50/38/53/1250503853.db2.gz DZZRPRGOZCIMFL-FZKQIMNGSA-N 1 0 338.879 2.988 10 10 EFCERO CCOC(=O)C1CCC([NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000850487402 1250504424 /nfs/dbraw/zinc/50/44/24/1250504424.db2.gz GWJZTIFEPKWDSG-JCYILVPMSA-N 1 0 346.471 2.985 10 10 EFCERO CC[C@@H]([NH2+][C@H]1CCN(c2ccc(OC)cc2)C1)C1(C(=O)OC)CCC1 ZINC000850486682 1250504635 /nfs/dbraw/zinc/50/46/35/1250504635.db2.gz CTICTCBQOMSHDE-MAUKXSAKSA-N 1 0 346.471 2.985 10 10 EFCERO C[C@@H]1C[C@H]([NH2+]CC[S@](=O)CC(F)(F)F)c2c1c(F)ccc2O ZINC000850495886 1250508507 /nfs/dbraw/zinc/50/85/07/1250508507.db2.gz KJNDIDOIDLRVFL-HORDHSCTSA-N 1 0 339.354 2.980 10 10 EFCERO COc1cccc([C@@H](C)[NH2+][C@@H]2Cc3ccccc3N(C)C2=O)c1O ZINC000850500050 1250510737 /nfs/dbraw/zinc/51/07/37/1250510737.db2.gz CKFFKSAABSNJAZ-IUODEOHRSA-N 1 0 326.396 2.639 10 10 EFCERO C[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1ccc(Cl)cc1O ZINC000850517913 1250519912 /nfs/dbraw/zinc/51/99/12/1250519912.db2.gz HLWPTSMDVSIGSQ-QMMMGPOBSA-N 1 0 345.770 2.673 10 10 EFCERO C[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1cc(Cl)ccc1O ZINC000850520791 1250523563 /nfs/dbraw/zinc/52/35/63/1250523563.db2.gz YFXKLPGZLYHFJS-QMMMGPOBSA-N 1 0 345.770 2.673 10 10 EFCERO Cc1cncc(CC[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)n1 ZINC000850549602 1250531610 /nfs/dbraw/zinc/53/16/10/1250531610.db2.gz HMUCEIXVLPGRFC-HNNXBMFYSA-N 1 0 344.434 2.654 10 10 EFCERO Oc1cccc2c1[C@@H]([NH2+][C@@H]1C[C@@H](N3CCOCC3)C13CCC3)CC2 ZINC000850555648 1250533369 /nfs/dbraw/zinc/53/33/69/1250533369.db2.gz AMTQEEBFHPXOAK-CGTJXYLNSA-N 1 0 328.456 2.613 10 10 EFCERO CN(C)c1ccc(CNC(=O)C[C@H]2[NH2+]Cc3ccccc32)cc1F ZINC000851628041 1251146849 /nfs/dbraw/zinc/14/68/49/1251146849.db2.gz ZTUIJYDLMYUEHI-QGZVFWFLSA-N 1 0 327.403 2.743 10 10 EFCERO CN(C)c1ccc(CNC(=O)C[C@@H]2[NH2+]Cc3ccccc32)cc1F ZINC000851628040 1251146875 /nfs/dbraw/zinc/14/68/75/1251146875.db2.gz ZTUIJYDLMYUEHI-KRWDZBQOSA-N 1 0 327.403 2.743 10 10 EFCERO COc1ccc(N2CC[C@@H](NC(=O)c3ccc([C@H](C)[NH3+])cc3)C2)cc1 ZINC000851639686 1251162289 /nfs/dbraw/zinc/16/22/89/1251162289.db2.gz JSCUHODIUNHUGR-WMLDXEAASA-N 1 0 339.439 2.724 10 10 EFCERO CN(Cc1ccccc1O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000851672720 1251198295 /nfs/dbraw/zinc/19/82/95/1251198295.db2.gz DKQUGZIFIVIAGE-QZTJIDSGSA-N 1 0 339.439 2.679 10 10 EFCERO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000851676387 1251200836 /nfs/dbraw/zinc/20/08/36/1251200836.db2.gz AHPSWOQJVIKSOY-UHFFFAOYSA-N 1 0 342.487 2.570 10 10 EFCERO C[C@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)[C@@H]1CC1(C)C ZINC000785432035 1256299148 /nfs/dbraw/zinc/29/91/48/1256299148.db2.gz OMBMYLMUOJGPHW-LESCRADOSA-N 1 0 329.488 2.913 10 10 EFCERO CS(=O)(=O)Cc1cccc(C[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC000921630527 1257857871 /nfs/dbraw/zinc/85/78/71/1257857871.db2.gz GIXJZVKPHMNUDH-UHFFFAOYSA-N 1 0 345.464 2.846 10 10 EFCERO Fc1cc(C[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)ccc1N1CCOCC1 ZINC000902755085 1259143650 /nfs/dbraw/zinc/14/36/50/1259143650.db2.gz KNZLELOYQIMJGT-JGKKSEDXSA-N 1 0 346.446 2.565 10 10 EFCERO O=c1cc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc[nH]1 ZINC000921745833 1261355104 /nfs/dbraw/zinc/35/51/04/1261355104.db2.gz ZSIYOFOQPYJGAJ-MRXNPFEDSA-N 1 0 347.846 2.900 10 10 EFCERO NC(=O)[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)Cc1ccc(F)cc1 ZINC000921948470 1263709498 /nfs/dbraw/zinc/70/94/98/1263709498.db2.gz OKOGQANPJZRYRG-KRWDZBQOSA-N 1 0 342.414 2.585 10 10 EFCERO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@H](CO)c1ccccc1 ZINC000824697198 1278229242 /nfs/dbraw/zinc/22/92/42/1278229242.db2.gz ZTUZEQOOXYAZMH-HXUWFJFHSA-N 1 0 326.440 2.689 10 10 EFCERO CCCOc1ccc(C[NH2+]CC(C)(C)CS(C)(=O)=O)cc1C ZINC000922735181 1266682965 /nfs/dbraw/zinc/68/29/65/1266682965.db2.gz YXWITQUUORFCHD-UHFFFAOYSA-N 1 0 327.490 2.944 10 10 EFCERO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1c2c(nn1C)CCOC2 ZINC000922187468 1264817794 /nfs/dbraw/zinc/81/77/94/1264817794.db2.gz HTIXQIDASZQGAK-OAHLLOKOSA-N 1 0 342.487 2.588 10 10 EFCERO CN(C)c1ccc(C[NH2+]Cc2ccnc(-n3ccnc3)c2)cc1F ZINC000733325602 1265169639 /nfs/dbraw/zinc/16/96/39/1265169639.db2.gz MCZSHGHFASCEDL-UHFFFAOYSA-N 1 0 325.391 2.762 10 10 EFCERO C[N@H+](Cc1ccc(Br)cc1O)[C@H]1CCN(C2CC2)C1 ZINC000824713998 1278259318 /nfs/dbraw/zinc/25/93/18/1278259318.db2.gz MCNUYDTZHXFGIZ-AWEZNQCLSA-N 1 0 325.250 2.823 10 10 EFCERO CCOCc1cc(C[NH2+]C[C@@]2(OC(C)C)CCOC2)ccc1OC ZINC000922612147 1266458958 /nfs/dbraw/zinc/45/89/58/1266458958.db2.gz XGQDZJAKEQQWBW-IBGZPJMESA-N 1 0 337.460 2.905 10 10 EFCERO CN(C)c1ccc(CN2CC[C@](O)(C(F)F)C2)c(C(F)(F)F)c1 ZINC000824726408 1278263478 /nfs/dbraw/zinc/26/34/78/1278263478.db2.gz LUJZNDZDXUJCJU-CQSZACIVSA-N 1 0 338.320 2.973 10 10 EFCERO Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@](O)(C(F)F)C2)c1 ZINC000824726609 1278263683 /nfs/dbraw/zinc/26/36/83/1278263683.db2.gz POSDYOBLEGWQHU-CYBMUJFWSA-N 1 0 336.176 2.665 10 10 EFCERO OC[C@@]1([NH2+]Cc2ccccc2O)CCCN(Cc2ccccc2)C1 ZINC000734846330 1267130045 /nfs/dbraw/zinc/13/00/45/1267130045.db2.gz QZLPQBITYIHVRR-HXUWFJFHSA-N 1 0 326.440 2.509 10 10 EFCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)c1coc(C)n1 ZINC001273340864 1267651976 /nfs/dbraw/zinc/65/19/76/1267651976.db2.gz IXASLZFZDIYYJE-UHFFFAOYSA-N 1 0 331.416 2.552 10 10 EFCERO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)c1 ZINC000825030013 1278390296 /nfs/dbraw/zinc/39/02/96/1278390296.db2.gz BSPDLCVZYAPGIQ-PBHICJAKSA-N 1 0 333.428 2.908 10 10 EFCERO CC[N@H+](CCC(=O)OC)Cc1c(O)c(C(=O)OC)cc2ccccc21 ZINC000738098494 1268330297 /nfs/dbraw/zinc/33/02/97/1268330297.db2.gz WXGASLJJMHOHJX-UHFFFAOYSA-N 1 0 345.395 2.717 10 10 EFCERO Oc1cc2c(cc1C[NH+]1CCN(CC(F)(F)C(F)F)CC1)CCC2 ZINC000738233963 1268426983 /nfs/dbraw/zinc/42/69/83/1268426983.db2.gz MTVPBMVGYWGWLQ-UHFFFAOYSA-N 1 0 346.368 2.899 10 10 EFCERO OCC1CCN(c2ccc(C[NH2+][C@H]3CO[C@H](C4CC4)C3)cc2)CC1 ZINC000825137951 1278425936 /nfs/dbraw/zinc/42/59/36/1278425936.db2.gz GBUGQEVWHHDKHO-QUCCMNQESA-N 1 0 330.472 2.552 10 10 EFCERO COC[C@@H]1CC[N@H+](Cc2c(O)c(C(=O)OC)cc3ccccc32)C1 ZINC000739874913 1268769594 /nfs/dbraw/zinc/76/95/94/1268769594.db2.gz YEZROWXEOBDPMC-CYBMUJFWSA-N 1 0 329.396 2.800 10 10 EFCERO Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](NC(=O)N(C)C)C2)c1O ZINC000825279159 1278490773 /nfs/dbraw/zinc/49/07/73/1278490773.db2.gz PEWRSAJMQXZPBD-AWEZNQCLSA-N 1 0 325.840 2.590 10 10 EFCERO COc1ccc(O)c(C[N@H+](C)C2CCN(CC(F)(F)F)CC2)c1 ZINC000825294353 1278494806 /nfs/dbraw/zinc/49/48/06/1278494806.db2.gz OPONNXIAFBUVCX-UHFFFAOYSA-N 1 0 332.366 2.859 10 10 EFCERO c1cc(N2CCOCC2)ccc1C[NH2+][C@H](C1CC1)[C@@H]1CCCOC1 ZINC000922893631 1270771360 /nfs/dbraw/zinc/77/13/60/1270771360.db2.gz VLFNKHIWQPUYIB-UYAOXDASSA-N 1 0 330.472 2.818 10 10 EFCERO COC(=O)c1cc2ccccc2c(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1O ZINC000744436835 1271032818 /nfs/dbraw/zinc/03/28/18/1271032818.db2.gz WLBGFGDHTVVZNH-OKILXGFUSA-N 1 0 327.380 2.695 10 10 EFCERO COc1ccc(O)c(C[NH2+]C[C@@H](CO)Cc2ccc(F)c(F)c2)c1 ZINC000792193276 1278634029 /nfs/dbraw/zinc/63/40/29/1278634029.db2.gz SUIMWITVTRPDAX-ZDUSSCGKSA-N 1 0 337.366 2.620 10 10 EFCERO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Cc1ccc(O)c(O)c1 ZINC001143709140 1278704592 /nfs/dbraw/zinc/70/45/92/1278704592.db2.gz DBFPEFZVLSTJTD-UHFFFAOYSA-N 1 0 342.439 2.751 10 10 EFCERO OC1CCN(c2ccc(C[NH2+][C@@H](C3CC3)[C@@H]3CCCOC3)cc2)CC1 ZINC000922895975 1272734351 /nfs/dbraw/zinc/73/43/51/1272734351.db2.gz MMKOEHDJTXEUNI-NQIIRXRSSA-N 1 0 344.499 2.943 10 10 EFCERO CC1(C)CCC[NH2+][C@@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000844173764 1278780665 /nfs/dbraw/zinc/78/06/65/1278780665.db2.gz VLNOVAFTXKDLRZ-QGZVFWFLSA-N 1 0 347.528 2.634 10 10 EFCERO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844279550 1278853672 /nfs/dbraw/zinc/85/36/72/1278853672.db2.gz TXYIOSMDYSZXMR-GOSISDBHSA-N 1 0 331.460 2.946 10 10 EFCERO CCOc1cccc(C[NH2+][C@@H](C)[C@H](O)c2ccc3c(c2)OCO3)c1O ZINC000785581972 1275118577 /nfs/dbraw/zinc/11/85/77/1275118577.db2.gz PNMHRWGCYLLEMF-SGTLLEGYSA-N 1 0 345.395 2.731 10 10 EFCERO NC(=O)CN1CCc2ccc(NCc3cc(Cl)ccc3O)cc2C1 ZINC000788528361 1276222333 /nfs/dbraw/zinc/22/23/33/1276222333.db2.gz BDBRKERKZIYWFT-UHFFFAOYSA-N 1 0 345.830 2.501 10 10 EFCERO COc1cc(C[NH2+]CCOC2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000922928304 1276361574 /nfs/dbraw/zinc/36/15/74/1276361574.db2.gz NTDAOWDDFCPXCI-UHFFFAOYSA-N 1 0 337.460 2.984 10 10 EFCERO CN(C)c1ccc([C@H](N)C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)cc1 ZINC000817942560 1276388896 /nfs/dbraw/zinc/38/88/96/1276388896.db2.gz PPHBJUXFMNTZRG-GSEOLPGOSA-N 1 0 331.504 2.937 10 10 EFCERO C[C@H](N[C@H]1CC[NH2+]C[C@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000817971884 1276412841 /nfs/dbraw/zinc/41/28/41/1276412841.db2.gz QPAVHVGJNXRYLV-GLJUWKHASA-N 1 0 337.895 2.825 10 10 EFCERO C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1cc(Br)c(F)cc1[O-] ZINC000817972098 1276415585 /nfs/dbraw/zinc/41/55/85/1276415585.db2.gz SXRFMYLBGUTOHJ-ZDMBXUJBSA-N 1 0 331.229 2.942 10 10 EFCERO C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1cc(Br)c(F)cc1[O-] ZINC000817972097 1276416360 /nfs/dbraw/zinc/41/63/60/1276416360.db2.gz SXRFMYLBGUTOHJ-VYUIOLGVSA-N 1 0 331.229 2.942 10 10 EFCERO C[C@@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000818110831 1276465585 /nfs/dbraw/zinc/46/55/85/1276465585.db2.gz AXJKBTJFTVDRTR-QAPCUYQASA-N 1 0 345.487 2.573 10 10 EFCERO COCc1cnc(C[NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000818222600 1276492970 /nfs/dbraw/zinc/49/29/70/1276492970.db2.gz VABMEHNNSJYPOG-CQSZACIVSA-N 1 0 347.484 2.914 10 10 EFCERO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CN(C4CC4)C[C@H]3C)C2)cc1 ZINC000818341556 1276510255 /nfs/dbraw/zinc/51/02/55/1276510255.db2.gz ANUBKXUUUYZAMF-QINHECLXSA-N 1 0 329.488 2.594 10 10 EFCERO C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000818361514 1276519432 /nfs/dbraw/zinc/51/94/32/1276519432.db2.gz KDPYXZYYNVJABV-BBRMVZONSA-N 1 0 347.434 2.614 10 10 EFCERO CC[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)c1ccc(C(F)(F)F)cc1O ZINC000818362644 1276519470 /nfs/dbraw/zinc/51/94/70/1276519470.db2.gz ZHSWXCCNQSQWJO-VXGBXAGGSA-N 1 0 344.333 2.599 10 10 EFCERO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)c1ccc(N2CCCCCC2)cc1 ZINC000818362597 1276520347 /nfs/dbraw/zinc/52/03/47/1276520347.db2.gz YBAKHDBKQZUGFI-MAUKXSAKSA-N 1 0 343.471 2.865 10 10 EFCERO COc1ccc(N2CC[NH+](C[C@@H](O)CC3CCCC3)CC2)cc1F ZINC000789327914 1276659922 /nfs/dbraw/zinc/65/99/22/1276659922.db2.gz RFKFECOPDMFVEM-KRWDZBQOSA-N 1 0 336.451 2.898 10 10 EFCERO O=C(Cc1ccc(O)c(O)c1)NCCCCCCC[NH+]1CCCC1 ZINC001136423553 1277462438 /nfs/dbraw/zinc/46/24/38/1277462438.db2.gz MJYDKFDSSHMRNM-UHFFFAOYSA-N 1 0 334.460 2.803 10 10 EFCERO Cc1ccccc1OC[C@@H](O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000923285405 1277489591 /nfs/dbraw/zinc/48/95/91/1277489591.db2.gz BHBZMDNBQFXELU-SFHVURJKSA-N 1 0 326.440 2.646 10 10 EFCERO Cn1cc([C@H]2CSCC[N@@H+]2Cc2cc3c(cc2O)CCC3)cn1 ZINC000790470231 1277579517 /nfs/dbraw/zinc/57/95/17/1277579517.db2.gz AGOKLPCPRIXDFK-QGZVFWFLSA-N 1 0 329.469 2.905 10 10 EFCERO OC[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)Cc1ccc(F)c(F)c1 ZINC000791005201 1277903530 /nfs/dbraw/zinc/90/35/30/1277903530.db2.gz QFXCXPILAAILNI-HNNXBMFYSA-N 1 0 333.378 2.841 10 10 EFCERO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792790941 1279153592 /nfs/dbraw/zinc/15/35/92/1279153592.db2.gz VMBMIWVVBRUFOD-AAEUAGOBSA-N 1 0 343.393 2.857 10 10 EFCERO C[C@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CCc2ccccc21 ZINC000844742228 1279211338 /nfs/dbraw/zinc/21/13/38/1279211338.db2.gz NTKMLANUTDKECB-DJJJIMSYSA-N 1 0 325.408 2.980 10 10 EFCERO COc1ccc(O)c([C@@H](C)NC(=O)NC2CC([NH+]3CCCCC3)C2)c1 ZINC000793266939 1279487376 /nfs/dbraw/zinc/48/73/76/1279487376.db2.gz OPAZCBPOMNEVRD-WLYUNCDWSA-N 1 0 347.459 2.778 10 10 EFCERO CCN(CC)c1ccc(C[N@@H+]2C[C@H]3COCC[C@@]3(C(=O)OC)C2)cc1 ZINC000793346763 1279536482 /nfs/dbraw/zinc/53/64/82/1279536482.db2.gz LPGVXHXRWUCDRG-FXAWDEMLSA-N 1 0 346.471 2.544 10 10 EFCERO COc1c[nH+]ccc1N1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000793369020 1279580248 /nfs/dbraw/zinc/58/02/48/1279580248.db2.gz APJZHAPDMRMUAE-UHFFFAOYSA-N 1 0 333.819 2.771 10 10 EFCERO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cnnn2Cc2ccccc2)c1 ZINC000845970860 1279946956 /nfs/dbraw/zinc/94/69/56/1279946956.db2.gz DKESJUWDOKFMOM-CQSZACIVSA-N 1 0 338.411 2.891 10 10 EFCERO CCOc1ccc(C[NH2+]C[C@@]2(CO)CCc3ccccc32)c(O)c1 ZINC000846011700 1279975823 /nfs/dbraw/zinc/97/58/23/1279975823.db2.gz ONERKZSKECXFAA-HXUWFJFHSA-N 1 0 327.424 2.757 10 10 EFCERO COc1cc(O)c(C[NH2+][C@H](c2ccccc2F)[C@@H](C)O)cc1OC ZINC000846015736 1279978383 /nfs/dbraw/zinc/97/83/83/1279978383.db2.gz DDFCGNKAKFFADB-ZMZPIMSZSA-N 1 0 335.375 2.760 10 10 EFCERO Fc1cc(C[NH2+][C@H](C2CC2)C2CCOCC2)ccc1N1CCOCC1 ZINC000846042474 1279997545 /nfs/dbraw/zinc/99/75/45/1279997545.db2.gz MGHSVESHXLXTLD-HXUWFJFHSA-N 1 0 348.462 2.957 10 10 EFCERO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000846047220 1280000913 /nfs/dbraw/zinc/00/09/13/1280000913.db2.gz LNDQTVKRMYLRPD-ZWKOTPCHSA-N 1 0 343.423 2.553 10 10 EFCERO CC[C@H]([NH2+]CC[C@@]1(O)CCOC1)c1ccc(C(F)(F)F)cc1O ZINC000846050754 1280001997 /nfs/dbraw/zinc/00/19/97/1280001997.db2.gz YRDKZIHIKHADRM-DZGCQCFKSA-N 1 0 333.350 2.993 10 10 EFCERO CN(C)c1ccc(C[NH2+][C@@H]2CCCc3c2ccc(=O)n3C)cc1F ZINC000846113047 1280021776 /nfs/dbraw/zinc/02/17/76/1280021776.db2.gz YGPULFZPWSRWIP-MRXNPFEDSA-N 1 0 329.419 2.758 10 10 EFCERO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCc3c2ccc(=O)n3C)c1 ZINC000846122334 1280026759 /nfs/dbraw/zinc/02/67/59/1280026759.db2.gz HTQWISFEBUKLPJ-MLGOLLRUSA-N 1 0 328.412 2.828 10 10 EFCERO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCCc2c1ccc(=O)n2C ZINC000846123277 1280028228 /nfs/dbraw/zinc/02/82/28/1280028228.db2.gz OXPDJPVGMKHMBX-GOSISDBHSA-N 1 0 325.456 2.927 10 10 EFCERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc(OC)c2O)[C@H]1n1cccn1 ZINC000846169853 1280046219 /nfs/dbraw/zinc/04/62/19/1280046219.db2.gz KQLMOCZXLYYYSI-JWZBEHFJSA-N 1 0 331.416 2.667 10 10 EFCERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc(OC)c2O)[C@@H]1n1cccn1 ZINC000846169857 1280046572 /nfs/dbraw/zinc/04/65/72/1280046572.db2.gz KQLMOCZXLYYYSI-UOJCXKCYSA-N 1 0 331.416 2.667 10 10 EFCERO COc1cccc([C@@H](C)[NH2+][C@H]2CCCN(c3ncccn3)C2)c1O ZINC000846140566 1280049964 /nfs/dbraw/zinc/04/99/64/1280049964.db2.gz AQGPYIBTQMIVOP-KGLIPLIRSA-N 1 0 328.416 2.510 10 10 EFCERO C[C@@H]([NH2+]Cc1ccc(-c2nncnn2)cc1)c1ccc(N(C)C)cc1 ZINC000846207724 1280055433 /nfs/dbraw/zinc/05/54/33/1280055433.db2.gz CDQOTINWOSYYRE-CQSZACIVSA-N 1 0 334.427 2.850 10 10 EFCERO Cc1cc(Br)cc([C@@H](C)[NH2+]CC[C@@]2(O)CCOC2)c1O ZINC000846194042 1280066420 /nfs/dbraw/zinc/06/64/20/1280066420.db2.gz QWGSJAXCZGIFRP-IAQYHMDHSA-N 1 0 344.249 2.655 10 10 EFCERO COc1cccc([C@H](C)[NH2+][C@H]2CCCc3c2ccc(=O)n3C)c1O ZINC000846217055 1280073342 /nfs/dbraw/zinc/07/33/42/1280073342.db2.gz YRSOPMBBTXBROJ-WFASDCNBSA-N 1 0 328.412 2.828 10 10 EFCERO COc1ccc(CNC(=O)c2cccc(C[NH+]3CCCC3)c2)c(O)c1 ZINC000794383380 1280164870 /nfs/dbraw/zinc/16/48/70/1280164870.db2.gz LSPRPIGNZBIADT-UHFFFAOYSA-N 1 0 340.423 2.927 10 10 EFCERO COc1ccc(N(C)CCN(C)C(=O)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000846658630 1280373720 /nfs/dbraw/zinc/37/37/20/1280373720.db2.gz KKSDSRCKWRFLGJ-QGZVFWFLSA-N 1 0 347.503 2.854 10 10 EFCERO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1O ZINC001175419196 1287422383 /nfs/dbraw/zinc/42/23/83/1287422383.db2.gz SSABSAUCCRVQOF-LBPRGKRZSA-N 1 0 329.356 2.980 10 10 EFCERO CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000872251825 1287503094 /nfs/dbraw/zinc/50/30/94/1287503094.db2.gz NYJOSLZKTNHZQB-GFCCVEGCSA-N 1 0 327.812 2.822 10 10 EFCERO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@@H](O)c1ccccc1 ZINC000808443749 1281713542 /nfs/dbraw/zinc/71/35/42/1281713542.db2.gz BJHHTMGLKTXNEB-MGPUTAFESA-N 1 0 344.430 2.874 10 10 EFCERO CCN(CC)c1ccc(C[NH2+]C[C@H](CO)c2cccnc2)cc1F ZINC000808431746 1281725990 /nfs/dbraw/zinc/72/59/90/1281725990.db2.gz YWJTYWBXHKNWLE-QGZVFWFLSA-N 1 0 331.435 2.933 10 10 EFCERO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](C)C2(S(C)(=O)=O)CC2)c1O ZINC000808718114 1281871945 /nfs/dbraw/zinc/87/19/45/1281871945.db2.gz LZTHTSPZUCQCRE-MNOVXSKESA-N 1 0 331.865 2.970 10 10 EFCERO O=C(CC(F)(F)F)NC[C@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000809690276 1282374041 /nfs/dbraw/zinc/37/40/41/1282374041.db2.gz MCHWHUUHZWNIHO-GFCCVEGCSA-N 1 0 330.350 2.673 10 10 EFCERO COC(=O)CCCCC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000809727334 1282408384 /nfs/dbraw/zinc/40/83/84/1282408384.db2.gz ITJFJCPAGVUPDO-UHFFFAOYSA-N 1 0 334.460 2.987 10 10 EFCERO COCC[C@H](COC)[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000810256736 1283107614 /nfs/dbraw/zinc/10/76/14/1283107614.db2.gz FLXRGIZXMYNUDC-ZYHUDNBSSA-N 1 0 332.238 2.857 10 10 EFCERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(OC)ccc2O)[C@H]1n1cccn1 ZINC000815661235 1287658111 /nfs/dbraw/zinc/65/81/11/1287658111.db2.gz XELXNEDSLRYJAO-PWUKJLEFSA-N 1 0 331.416 2.667 10 10 EFCERO COc1ccc(N(C)CC[N@H+](C)C[C@H](O)Cc2ccc(F)cc2)cc1 ZINC001171729604 1285746068 /nfs/dbraw/zinc/74/60/68/1285746068.db2.gz MADYIDZHQGVCOU-LJQANCHMSA-N 1 0 346.446 2.806 10 10 EFCERO COc1ccc(N2CCN(CCC[NH2+][C@@H]3C[C@@H](C)[C@H]3C)CC2)cc1 ZINC000813854523 1286144643 /nfs/dbraw/zinc/14/46/43/1286144643.db2.gz FDLFJBSOAOOLRB-MBOZVWFJSA-N 1 0 331.504 2.841 10 10 EFCERO Cc1cc(Br)c(O)c(CN2CC[C@@H]3C[N@@H+](C)C[C@H]32)c1 ZINC000814173037 1286355757 /nfs/dbraw/zinc/35/57/57/1286355757.db2.gz FJXDAVRHAHVHQU-BXUZGUMPSA-N 1 0 325.250 2.599 10 10 EFCERO Cc1cc(Br)cc(CN2CC[C@@H]3C[N@@H+](C)C[C@@H]32)c1O ZINC000814173939 1286356536 /nfs/dbraw/zinc/35/65/36/1286356536.db2.gz TVLSHHXTNPVXSL-RISCZKNCSA-N 1 0 325.250 2.599 10 10 EFCERO COc1ccc(N2CCN(CCNC(=O)CCCC(C)C)CC2)cc1 ZINC000822823568 1289124149 /nfs/dbraw/zinc/12/41/49/1289124149.db2.gz KAHPECQLZVLAEN-UHFFFAOYSA-N 1 0 347.503 2.760 10 10 EFCERO CC[NH+](CC)CCNC(=O)c1ccccc1-n1c(C)cc(C=O)c1C ZINC001135609267 1288177249 /nfs/dbraw/zinc/17/72/49/1288177249.db2.gz IEQHLIFMSCMHII-UHFFFAOYSA-N 1 0 341.455 2.978 10 10 EFCERO Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000816955333 1288340459 /nfs/dbraw/zinc/34/04/59/1288340459.db2.gz ZKXRJGRCFZQXLK-GOEBONIOSA-N 1 0 329.469 2.932 10 10 EFCERO CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC001135800472 1288390989 /nfs/dbraw/zinc/39/09/89/1288390989.db2.gz HCAFZGSLYPZJFF-LJQANCHMSA-N 1 0 327.472 2.872 10 10 EFCERO CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC001135800467 1288391593 /nfs/dbraw/zinc/39/15/93/1288391593.db2.gz HCAFZGSLYPZJFF-IBGZPJMESA-N 1 0 327.472 2.872 10 10 EFCERO CCOP(=O)(OCC)[C@H](O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000851949634 1299480542 /nfs/dbraw/zinc/48/05/42/1299480542.db2.gz GYZLXKNLZSOVDY-CJNGLKHVSA-N 1 0 344.392 2.988 10 10 EFCERO CCOP(=O)(OCC)[C@@H](O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000851949638 1299480591 /nfs/dbraw/zinc/48/05/91/1299480591.db2.gz GYZLXKNLZSOVDY-XJKSGUPXSA-N 1 0 344.392 2.988 10 10 EFCERO COc1cc(Br)cc(C[N@@H+]2C[C@@H](O)CC[C@@H]2C)c1O ZINC000817413843 1288591979 /nfs/dbraw/zinc/59/19/79/1288591979.db2.gz BGXJROCPHLJSEC-CABZTGNLSA-N 1 0 330.222 2.509 10 10 EFCERO CC(C)[N@@H+](Cc1ccc(OCc2ccccc2)cc1O)C[C@H](O)CO ZINC000817417900 1288593659 /nfs/dbraw/zinc/59/36/59/1288593659.db2.gz SRITZUMTGDGTIP-SFHVURJKSA-N 1 0 345.439 2.535 10 10 EFCERO CC(C)[N@@H+](Cc1ccc(N(C)Cc2cccs2)cc1)C[C@H](O)CO ZINC000817417583 1288594044 /nfs/dbraw/zinc/59/40/44/1288594044.db2.gz PXAWLLWQFGFPJD-SFHVURJKSA-N 1 0 348.512 2.948 10 10 EFCERO CCOc1ccc(C[NH2+][C@H](C2CCOCC2)C2(CO)CCC2)c(O)c1 ZINC000822525887 1289009420 /nfs/dbraw/zinc/00/94/20/1289009420.db2.gz PGLCZOUNNKKGGX-LJQANCHMSA-N 1 0 349.471 2.838 10 10 EFCERO Cc1ccc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C(C)C)c(O)c1O ZINC001180534982 1289553276 /nfs/dbraw/zinc/55/32/76/1289553276.db2.gz VKNWWKLMQJAIFE-HOCLYGCPSA-N 1 0 332.444 2.741 10 10 EFCERO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](CN3CCOC3=O)C2)cc1F ZINC000824451160 1289655485 /nfs/dbraw/zinc/65/54/85/1289655485.db2.gz KPOYOZGWWIZCEL-MRXNPFEDSA-N 1 0 349.450 2.946 10 10 EFCERO Oc1ccccc1C[N@@H+](Cc1cnn2c1CCC2)C[C@@H]1CCCO1 ZINC000824509533 1289693239 /nfs/dbraw/zinc/69/32/39/1289693239.db2.gz ZZZBHJGSQJTVDJ-KRWDZBQOSA-N 1 0 327.428 2.716 10 10 EFCERO COc1cc(C[N@@H+]2CCCC[C@@H]2CC(N)=O)c(O)c(C(C)(C)C)c1 ZINC000824632281 1289731424 /nfs/dbraw/zinc/73/14/24/1289731424.db2.gz CKTJXTSGIBHXTM-CQSZACIVSA-N 1 0 334.460 2.928 10 10 EFCERO COc1cccc(C[N@@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)c1O ZINC000824636520 1289734129 /nfs/dbraw/zinc/73/41/29/1289734129.db2.gz RLDJQXVAWRRYFP-VQIMIIECSA-N 1 0 331.387 2.701 10 10 EFCERO O=c1[nH]ccc2c1C[N@H+](Cc1ccc(Br)cc1O)CC2 ZINC000825693148 1290039214 /nfs/dbraw/zinc/03/92/14/1290039214.db2.gz UKGMBZLFTQQWHL-UHFFFAOYSA-N 1 0 335.201 2.814 10 10 EFCERO CNC(=O)C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccccc1 ZINC000795604889 1290646862 /nfs/dbraw/zinc/64/68/62/1290646862.db2.gz LYIBOEAAZJHPIO-QGZVFWFLSA-N 1 0 329.419 2.859 10 10 EFCERO CC(C)(C)c1cc(O)c(O)c(CN2CCO[C@]3(CCCOC3)C2)c1 ZINC000795635917 1290741092 /nfs/dbraw/zinc/74/10/92/1290741092.db2.gz GXMYULPOPQZIKP-LJQANCHMSA-N 1 0 335.444 2.777 10 10 EFCERO CN(C)c1ccc(CN(C)C(=O)[C@@H](C[NH3+])c2ccc(F)cc2)cc1 ZINC000825942861 1291147357 /nfs/dbraw/zinc/14/73/57/1291147357.db2.gz MZBNCXZSXYQKBP-SFHVURJKSA-N 1 0 329.419 2.593 10 10 EFCERO Oc1ccccc1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@@H]1CCCO1 ZINC000249271505 1291332812 /nfs/dbraw/zinc/33/28/12/1291332812.db2.gz JFKCHRIWHWFGFU-KBPBESRZSA-N 1 0 333.350 2.687 10 10 EFCERO C[N@H+](Cc1ccc(Br)cc1O)[C@@H]1CN2CCC1CC2 ZINC000691675290 1291551375 /nfs/dbraw/zinc/55/13/75/1291551375.db2.gz IMASHLOTMVMDDG-CQSZACIVSA-N 1 0 325.250 2.681 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2cscn2)cc1C ZINC001277770191 1312868653 /nfs/dbraw/zinc/86/86/53/1312868653.db2.gz ATBBPRKZIVRCIU-CYBMUJFWSA-N 1 0 333.457 2.710 10 10 EFCERO COc1cc(C[N@H+](CCO)[C@H]2CCO[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000826096854 1291984377 /nfs/dbraw/zinc/98/43/77/1291984377.db2.gz GAJBBHLISFLWBW-GUYCJALGSA-N 1 0 337.460 2.670 10 10 EFCERO CCOc1cccc(C[NH2+][C@H](C)[C@@H]2CCCN(C(=O)OC)C2)c1O ZINC000775344922 1291985702 /nfs/dbraw/zinc/98/57/02/1291985702.db2.gz BAZXLZIUOKRKND-UKRRQHHQSA-N 1 0 336.432 2.747 10 10 EFCERO CCOc1ccc(C[NH2+][C@H](C)[C@H]2CCCN(C(=O)OC)C2)c(O)c1 ZINC000775347726 1291989697 /nfs/dbraw/zinc/98/96/97/1291989697.db2.gz QPFMRWNUFLAELX-HIFRSBDPSA-N 1 0 336.432 2.747 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)CC2CCOCC2)cc1C ZINC001277784111 1312912946 /nfs/dbraw/zinc/91/29/46/1312912946.db2.gz ZIBUWHDRBWFFPT-MRXNPFEDSA-N 1 0 348.487 2.757 10 10 EFCERO CC[C@H](C)C[NH2+]CCCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001276412261 1312943622 /nfs/dbraw/zinc/94/36/22/1312943622.db2.gz XTXTWHFWNJDIPJ-ZDUSSCGKSA-N 1 0 333.436 2.947 10 10 EFCERO C[C@@H](CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C(F)(F)F ZINC000881854949 1293032231 /nfs/dbraw/zinc/03/22/31/1293032231.db2.gz MKXTXCGQVYZKDU-ZDUSSCGKSA-N 1 0 343.393 2.643 10 10 EFCERO COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@H](C)c2cc(OC)ccc2O)C1 ZINC000775582706 1293217006 /nfs/dbraw/zinc/21/70/06/1293217006.db2.gz XXAZRXZHNHISAB-MJBXVCDLSA-N 1 0 336.432 2.918 10 10 EFCERO CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CCCC23CC3)[NH+](C)C)cc1 ZINC001234168873 1313072731 /nfs/dbraw/zinc/07/27/31/1313072731.db2.gz CVKCPSRPQFJIGD-ZWKOTPCHSA-N 1 0 344.503 2.987 10 10 EFCERO COc1ccc(O)c(CNc2ccc(C[NH+]3CCC(O)CC3)cc2)c1 ZINC000775748748 1294407401 /nfs/dbraw/zinc/40/74/01/1294407401.db2.gz AHHKWVDEIALGPL-UHFFFAOYSA-N 1 0 342.439 2.970 10 10 EFCERO COc1ccc(C[NH2+]C[C@H]2CC3(CCC3)CO2)cc1Cn1cccn1 ZINC000886285600 1294816071 /nfs/dbraw/zinc/81/60/71/1294816071.db2.gz NIJAKBPUCVGCGA-GOSISDBHSA-N 1 0 341.455 2.989 10 10 EFCERO COC[C@H]([NH2+]Cc1cc(Br)ccc1O)[C@@H]1CCCOC1 ZINC000886359415 1294888533 /nfs/dbraw/zinc/88/85/33/1294888533.db2.gz BRJBFBRIENFLTK-RISCZKNCSA-N 1 0 344.249 2.686 10 10 EFCERO Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NOCC[NH+](C)C)c1 ZINC001299344971 1295297168 /nfs/dbraw/zinc/29/71/68/1295297168.db2.gz XNRPMJIYYFSMPS-UHFFFAOYSA-N 1 0 335.835 2.971 10 10 EFCERO CC(C)[C@H]1CN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC[N@@H+]1C ZINC001234556194 1313156074 /nfs/dbraw/zinc/15/60/74/1313156074.db2.gz QCMRVUAJVCKEDJ-MAUKXSAKSA-N 1 0 332.492 2.795 10 10 EFCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)[C@]23C[C@H]2CCC3)cc1C ZINC001274222975 1295594587 /nfs/dbraw/zinc/59/45/87/1295594587.db2.gz YPQHBZQWOFTSRN-PTUVJSPFSA-N 1 0 328.456 2.956 10 10 EFCERO C[C@@H]([NH2+]CC[C@H]1CNC(=O)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000926989495 1296979808 /nfs/dbraw/zinc/97/98/08/1296979808.db2.gz XBTRCSUDRUYRNM-HUUCEWRRSA-N 1 0 333.451 2.993 10 10 EFCERO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1cc(Cl)ccc1O ZINC000927039328 1296980770 /nfs/dbraw/zinc/98/07/70/1296980770.db2.gz ILNQHUMSUVPMER-NSNUZPRRSA-N 1 0 329.849 2.804 10 10 EFCERO Oc1ccccc1CN(Cc1ccco1)Cc1[nH]nc2c1COCC2 ZINC000929969881 1297220221 /nfs/dbraw/zinc/22/02/21/1297220221.db2.gz FGYDMCRADFFIJS-UHFFFAOYSA-N 1 0 339.395 2.983 10 10 EFCERO COc1ccc(C[NH2+]CC2(NC(=O)CC(C)C)CCOCC2)cc1C ZINC001273943518 1297356755 /nfs/dbraw/zinc/35/67/55/1297356755.db2.gz CAUBYGLGXXYLMM-UHFFFAOYSA-N 1 0 348.487 2.805 10 10 EFCERO [NH3+]CCN(Cc1cccc(Cl)c1)Cc1cc2c(cc1O)OCO2 ZINC000903954023 1313477765 /nfs/dbraw/zinc/47/77/65/1313477765.db2.gz OFMUFUZUGYORTE-UHFFFAOYSA-N 1 0 334.803 2.735 10 10 EFCERO Cc1cc(Br)c([O-])c(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000903957343 1313487198 /nfs/dbraw/zinc/48/71/98/1313487198.db2.gz PYEQQGSKSTYKTR-LLVKDONJSA-N 1 0 349.219 2.798 10 10 EFCERO COC1CCN(c2ccc(C[N@@H+]3C[C@H]4COC[C@@]4(C)C3)cc2)CC1 ZINC000852534517 1299744075 /nfs/dbraw/zinc/74/40/75/1299744075.db2.gz CGYKXLJNFGKAIN-FXAWDEMLSA-N 1 0 330.472 2.770 10 10 EFCERO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C(C)(C)CC(F)(F)F)cc1 ZINC000852791277 1299887867 /nfs/dbraw/zinc/88/78/67/1299887867.db2.gz FWCBYNIWMSMTSA-CYBMUJFWSA-N 1 0 331.382 2.847 10 10 EFCERO Cc1cc(CC(=O)N2CCC[C@H](C[NH3+])C2)c(C)n1-c1ccccc1 ZINC000853303209 1300082091 /nfs/dbraw/zinc/08/20/91/1300082091.db2.gz QDTYIUZBAUDCAG-QGZVFWFLSA-N 1 0 325.456 2.834 10 10 EFCERO COC(=O)c1cc2ccccc2c(C[N@@H+]2C[C@H]3COC[C@@]3(C)C2)c1O ZINC000853566211 1300170539 /nfs/dbraw/zinc/17/05/39/1300170539.db2.gz NBRAWLNCHIWSML-VBKZILBWSA-N 1 0 341.407 2.800 10 10 EFCERO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000853583610 1300177848 /nfs/dbraw/zinc/17/78/48/1300177848.db2.gz UOFIPRPKUACKFF-OAHLLOKOSA-N 1 0 327.428 2.733 10 10 EFCERO CC(C)NC(=O)[C@H]1CCC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000853603960 1300189596 /nfs/dbraw/zinc/18/95/96/1300189596.db2.gz WWVFIUIQVBVZIC-HNNXBMFYSA-N 1 0 327.428 2.677 10 10 EFCERO C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@H](CC(F)(F)F)O1 ZINC000853612579 1300192345 /nfs/dbraw/zinc/19/23/45/1300192345.db2.gz AXGLIBLGQPLOKB-KOLCDFICSA-N 1 0 333.306 2.663 10 10 EFCERO Oc1cc2c(cc1C[N@@H+]1CC3(CCC3)[C@H]1c1ccncc1)[C@@H](O)CO2 ZINC000853632603 1300203235 /nfs/dbraw/zinc/20/32/35/1300203235.db2.gz HVXSBUOUGLYFSZ-PKOBYXMFSA-N 1 0 338.407 2.940 10 10 EFCERO CCCC[N@H+](Cc1cnc(C(=O)OC)cn1)Cc1ccccc1O ZINC000859296637 1301421966 /nfs/dbraw/zinc/42/19/66/1301421966.db2.gz MLXPHCYJJLWFEI-UHFFFAOYSA-N 1 0 329.400 2.771 10 10 EFCERO CN(C)c1ccc(CNC(=O)Nc2ccc3c(c2)OCC[NH2+]C3)cc1 ZINC000859758688 1301565566 /nfs/dbraw/zinc/56/55/66/1301565566.db2.gz CYQRSKPKSUZRNH-UHFFFAOYSA-N 1 0 340.427 2.556 10 10 EFCERO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000862385544 1302360512 /nfs/dbraw/zinc/36/05/12/1302360512.db2.gz NWOLMFFVDRMHBV-DOMZBBRYSA-N 1 0 326.387 2.852 10 10 EFCERO CC(C)NC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862417933 1302375629 /nfs/dbraw/zinc/37/56/29/1302375629.db2.gz ISULTHRWHZOQDJ-CYBMUJFWSA-N 1 0 339.430 2.767 10 10 EFCERO CN(C)c1cc(F)c(CN2CCO[C@@H](CCC[NH+](C)C)C2)cc1F ZINC000862418997 1302376615 /nfs/dbraw/zinc/37/66/15/1302376615.db2.gz ULKYJZFWZHANMJ-HNNXBMFYSA-N 1 0 341.446 2.573 10 10 EFCERO C[C@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(N2CCOCC2)cc1Cl ZINC000863545409 1302644703 /nfs/dbraw/zinc/64/47/03/1302644703.db2.gz RBLXLGHPSVUCGZ-QLFBSQMISA-N 1 0 337.895 2.968 10 10 EFCERO CCN(Cc1ccccc1)c1ccc(C[NH2+]C[C@@](C)(O)CO)cc1 ZINC000794748847 1303048104 /nfs/dbraw/zinc/04/81/04/1303048104.db2.gz VGQZUPZAGWULAX-HXUWFJFHSA-N 1 0 328.456 2.546 10 10 EFCERO C[C@@H]([NH2+]Cc1cn(C2CC2)cn1)c1ccc(N2CCOCC2)cc1 ZINC000865431255 1303253087 /nfs/dbraw/zinc/25/30/87/1303253087.db2.gz AJVZOJXPZIZTED-OAHLLOKOSA-N 1 0 326.444 2.905 10 10 EFCERO CN1Cc2ccccc2[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000865805970 1303410234 /nfs/dbraw/zinc/41/02/34/1303410234.db2.gz DWITVZQDBDVYTE-OAQYLSRUSA-N 1 0 337.467 2.800 10 10 EFCERO CC[C@H]1C[N@H+](C)CCCN1c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000865925742 1303457018 /nfs/dbraw/zinc/45/70/18/1303457018.db2.gz MDHCONRPLLPSOA-VIHMKRCTSA-N 1 0 347.415 2.702 10 10 EFCERO COC(=O)/C=C\c1ccc(N2CC[N@H+](C)C(C)(C)CC2)c([N+](=O)[O-])c1 ZINC000866114903 1303531314 /nfs/dbraw/zinc/53/13/14/1303531314.db2.gz SOEMTKPVQLQXTG-VURMDHGXSA-N 1 0 347.415 2.702 10 10 EFCERO C[C@@H]([NH2+]Cc1ccc(CN2CCNC2=O)cc1)c1ccccc1O ZINC000866575631 1303694858 /nfs/dbraw/zinc/69/48/58/1303694858.db2.gz UVZNLTNNSPPNMK-CQSZACIVSA-N 1 0 325.412 2.768 10 10 EFCERO C[C@H](NC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)c1ccc(N(C)C)cc1 ZINC000868515382 1304334973 /nfs/dbraw/zinc/33/49/73/1304334973.db2.gz LJPCYPZWQMZGJS-QILLFSRXSA-N 1 0 330.476 2.549 10 10 EFCERO COc1ccc(N2CCN(CC[NH2+][C@H]3CC[C@H]3C3CCC3)CC2)cc1 ZINC000800969619 1308762769 /nfs/dbraw/zinc/76/27/69/1308762769.db2.gz SKYRKSUNFZJXLX-SFTDATJTSA-N 1 0 343.515 2.986 10 10 EFCERO CCCCC[NH2+][C@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001490962644 1311143479 /nfs/dbraw/zinc/14/34/79/1311143479.db2.gz YJMSWEJXUAZNID-SHTZXODSSA-N 1 0 331.420 2.890 10 10 EFCERO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)c2n[nH]cc2F)cc1C ZINC001277290451 1311932869 /nfs/dbraw/zinc/93/28/69/1311932869.db2.gz JRDQLTQLMVOLRX-CYBMUJFWSA-N 1 0 348.422 2.554 10 10 EFCERO O=S1(=O)CCN(c2ccc(C[NH2+]C3C[C@@H]4CCC[C@H]4C3)cc2)CC1 ZINC000902801467 1312118436 /nfs/dbraw/zinc/11/84/36/1312118436.db2.gz BDYJEVZARQYIAJ-IRXDYDNUSA-N 1 0 348.512 2.590 10 10 EFCERO C[N@H+](CCc1ccccc1)CC(=O)NCc1ccc2cccnc2c1O ZINC001162612433 1312135734 /nfs/dbraw/zinc/13/57/34/1312135734.db2.gz JDPUADRPDSMMOG-UHFFFAOYSA-N 1 0 349.434 2.731 10 10 EFCERO COc1nc(C)cc(NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC001164318069 1312491485 /nfs/dbraw/zinc/49/14/85/1312491485.db2.gz LMOQTZAKYTVREB-MRXNPFEDSA-N 1 0 329.448 2.574 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CCN2C)c1O ZINC000903317457 1312564943 /nfs/dbraw/zinc/56/49/43/1312564943.db2.gz TYODKBHZAAXIGJ-MWLCHTKSSA-N 1 0 329.238 2.518 10 10 EFCERO COc1ccc(C[N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000179742173 1314714670 /nfs/dbraw/zinc/71/46/70/1314714670.db2.gz YSXRLXCBUQIOLQ-CYBMUJFWSA-N 1 0 336.432 2.747 10 10 EFCERO COc1ccc(N2CC[NH+](Cc3ccc(OC)cc3O)CC2)cc1 ZINC000179943097 1314721703 /nfs/dbraw/zinc/72/17/03/1314721703.db2.gz QDSILHXLBQJLPK-UHFFFAOYSA-N 1 0 328.412 2.732 10 10 EFCERO CC[NH+]1CCC(C)(CNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001278637164 1315377514 /nfs/dbraw/zinc/37/75/14/1315377514.db2.gz XTSVQVYRSMLUSO-UHFFFAOYSA-N 1 0 331.420 2.701 10 10 EFCERO CC1(C)CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1[NH2+]CCCF ZINC001278689809 1315544065 /nfs/dbraw/zinc/54/40/65/1315544065.db2.gz JDYMFJUBPSWQAP-CQSZACIVSA-N 1 0 349.410 2.649 10 10 EFCERO COc1cc(Br)cc(C[NH+]2C[C@@H](C)C(O)[C@H](C)C2)c1O ZINC000827151802 1315602015 /nfs/dbraw/zinc/60/20/15/1315602015.db2.gz KBXVCDURYGDOSD-NXEZZACHSA-N 1 0 344.249 2.612 10 10 EFCERO Cc1cc(O)c(C[N@H+]2CC[C@H](N(C)C(=O)N(C)C)C2)cc1Cl ZINC000827545163 1315997060 /nfs/dbraw/zinc/99/70/60/1315997060.db2.gz UXSCBBBSTDKPHP-ZDUSSCGKSA-N 1 0 325.840 2.542 10 10 EFCERO Cc1cc(O)c(C[N@H+]2CC[C@@H](N(C)C(=O)N(C)C)C2)c(Cl)c1 ZINC000827544931 1315997977 /nfs/dbraw/zinc/99/79/77/1315997977.db2.gz OKCMRTNOLICYEN-GFCCVEGCSA-N 1 0 325.840 2.542 10 10 EFCERO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(N)cc2)[C@H]1c1ccc(F)cc1 ZINC001261372225 1316407861 /nfs/dbraw/zinc/40/78/61/1316407861.db2.gz PUTJTBGZPGYNPC-DLBZAZTESA-N 1 0 328.391 2.975 10 10 EFCERO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CC(C)(C)CS(C)(=O)=O ZINC001262206694 1316452482 /nfs/dbraw/zinc/45/24/82/1316452482.db2.gz JATCGXCMCTUTHS-STQMWFEESA-N 1 0 325.474 2.909 10 10 EFCERO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CC(C)(C)CS(C)(=O)=O ZINC001262206691 1316452714 /nfs/dbraw/zinc/45/27/14/1316452714.db2.gz JATCGXCMCTUTHS-CHWSQXEVSA-N 1 0 325.474 2.909 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCF)cc1 ZINC001263792579 1316561631 /nfs/dbraw/zinc/56/16/31/1316561631.db2.gz BLLBUTCHIHIXHE-HUUCEWRRSA-N 1 0 349.410 2.839 10 10 EFCERO CCC[N@H+](CCCNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001265184299 1316747258 /nfs/dbraw/zinc/74/72/58/1316747258.db2.gz YAWBJCULDGFOHQ-UHFFFAOYSA-N 1 0 331.420 2.843 10 10 EFCERO COc1ccc(C[NH2+][C@H](CNC(=O)C(C)(F)F)C2CC2)cc1C ZINC001265343546 1316786343 /nfs/dbraw/zinc/78/63/43/1316786343.db2.gz JYINLINVLJKRTE-CQSZACIVSA-N 1 0 326.387 2.643 10 10 EFCERO CCO[C@H](CC)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001265468787 1316810145 /nfs/dbraw/zinc/81/01/45/1316810145.db2.gz NQSVSMKXTNTMBF-BRWVUGGUSA-N 1 0 334.460 2.556 10 10 EFCERO CCO[C@H](C)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001265661705 1316847906 /nfs/dbraw/zinc/84/79/06/1316847906.db2.gz ITHDYPFTBPLGGB-SJLPKXTDSA-N 1 0 348.487 2.899 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2cc(Cl)c[nH]2)cc1C ZINC001265753000 1316871690 /nfs/dbraw/zinc/87/16/90/1316871690.db2.gz RXEDUEQEKJVJAM-LBPRGKRZSA-N 1 0 335.835 2.893 10 10 EFCERO C[C@@H](F)CC[NH2+]C[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001266039811 1316968749 /nfs/dbraw/zinc/96/87/49/1316968749.db2.gz BFFJRCSVRPKKGC-OLZOCXBDSA-N 1 0 349.410 2.649 10 10 EFCERO CCC[C@H](C)C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001280568126 1317619218 /nfs/dbraw/zinc/61/92/18/1317619218.db2.gz ULBNADCGHRRHPM-YJBOKZPZSA-N 1 0 348.487 2.757 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2ccc(C)n2C)cc1C ZINC001282098480 1318725642 /nfs/dbraw/zinc/72/56/42/1318725642.db2.gz WSSFXMAMBOZKSZ-HZPDHXFCSA-N 1 0 343.471 2.947 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2[nH]c(C)nc2C)cc1C ZINC001282190646 1318774639 /nfs/dbraw/zinc/77/46/39/1318774639.db2.gz AYUNCWRIIXMWTD-QWHCGFSZSA-N 1 0 344.459 2.640 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2[nH]c(C)nc2C)cc1C ZINC001282190645 1318774670 /nfs/dbraw/zinc/77/46/70/1318774670.db2.gz AYUNCWRIIXMWTD-OLZOCXBDSA-N 1 0 344.459 2.640 10 10 EFCERO CCc1nc[nH]c1C(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001282227722 1318786730 /nfs/dbraw/zinc/78/67/30/1318786730.db2.gz JEMZEHJOEJKNRL-UONOGXRCSA-N 1 0 344.459 2.586 10 10 EFCERO CCCC[NH2+][C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C ZINC001283940218 1320104340 /nfs/dbraw/zinc/10/43/40/1320104340.db2.gz QSLGTLFHUBKLHL-SWLSCSKDSA-N 1 0 331.420 2.842 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)CSC)cc1C ZINC001319438241 1328886093 /nfs/dbraw/zinc/88/60/93/1328886093.db2.gz YTOOMZCSTKTBIY-CABCVRRESA-N 1 0 338.517 2.939 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2c(C)ccn2C)cc1C ZINC001319447941 1328887629 /nfs/dbraw/zinc/88/76/29/1328887629.db2.gz GHYBDFZASWXHFH-MRXNPFEDSA-N 1 0 343.471 2.901 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CC2(OC)CCC2)cc1C ZINC001319447728 1328887896 /nfs/dbraw/zinc/88/78/96/1328887896.db2.gz DQVFHIXKSURHAP-INIZCTEOSA-N 1 0 348.487 2.899 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)c2cncc(F)c2)cc1C ZINC001319444176 1328888336 /nfs/dbraw/zinc/88/83/36/1328888336.db2.gz VDKYKQXLQJDFNM-AWEZNQCLSA-N 1 0 345.418 2.788 10 10 EFCERO CC(C)CC[NH2+]C[C@@H](C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001319592343 1328923504 /nfs/dbraw/zinc/92/35/04/1328923504.db2.gz JMNPHLMZQGFALX-CYBMUJFWSA-N 1 0 333.436 2.945 10 10 EFCERO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCC[N@@H+](C)C1CC1 ZINC001292157155 1322040307 /nfs/dbraw/zinc/04/03/07/1322040307.db2.gz DJJCTGKMEFDULH-UHFFFAOYSA-N 1 0 339.439 2.731 10 10 EFCERO CCc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001292841095 1322133170 /nfs/dbraw/zinc/13/31/70/1322133170.db2.gz NMGQLGPCWKVGQN-HNNXBMFYSA-N 1 0 343.475 2.524 10 10 EFCERO CC(C)[N@@H+]1CCC[C@@H](C(=O)NCCCSc2nccs2)C1 ZINC001292997631 1322168813 /nfs/dbraw/zinc/16/88/13/1322168813.db2.gz OOTPGEFPCAOFIW-CYBMUJFWSA-N 1 0 327.519 2.862 10 10 EFCERO CC(C)[C@H](C(=O)N1CCOc2cc(N(C)C)ccc21)[NH+]1CCCCC1 ZINC001293952535 1322384908 /nfs/dbraw/zinc/38/49/08/1322384908.db2.gz CITCMMYTLIMBSM-LJQANCHMSA-N 1 0 345.487 2.989 10 10 EFCERO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001297465096 1323225968 /nfs/dbraw/zinc/22/59/68/1323225968.db2.gz ANPSYAQTRBOKBX-AWEZNQCLSA-N 1 0 331.420 2.699 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)cc1C ZINC001491692699 1323796011 /nfs/dbraw/zinc/79/60/11/1323796011.db2.gz MWFPOJADGQSLMX-BPVGNJIUSA-N 1 0 342.483 2.890 10 10 EFCERO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H](C)OCC(C)C)C2)cc1C ZINC001491713338 1323831529 /nfs/dbraw/zinc/83/15/29/1323831529.db2.gz PVSOXCOBIOHVMK-AEFFLSMTSA-N 1 0 348.487 2.755 10 10 EFCERO COCCC[C@@H](C)C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001491761993 1323870227 /nfs/dbraw/zinc/87/02/27/1323870227.db2.gz TZXZVJWXWWDVAL-QAPCUYQASA-N 1 0 348.487 2.757 10 10 EFCERO CN1CCN(c2ccc(C[NH2+]C[C@@H]3CCC(C)(C)O3)cc2F)CC1 ZINC001320764832 1329183054 /nfs/dbraw/zinc/18/30/54/1329183054.db2.gz LLUJVMBULKNSDZ-INIZCTEOSA-N 1 0 335.467 2.625 10 10 EFCERO CC[N@@H+]1CCN(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)[C@H](C)C1 ZINC001312885042 1324998475 /nfs/dbraw/zinc/99/84/75/1324998475.db2.gz OAJINIVQNGVOIT-IAGOWNOFSA-N 1 0 346.519 2.728 10 10 EFCERO COc1ccc(C[NH2+][C@@H](CNC(=O)C2=COCCC2)C2CC2)cc1C ZINC001317009176 1325478667 /nfs/dbraw/zinc/47/86/67/1325478667.db2.gz BKBBXGAYOVYGKS-SFHVURJKSA-N 1 0 344.455 2.682 10 10 EFCERO CC(C)=CC[NH2+][C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001317031490 1325496732 /nfs/dbraw/zinc/49/67/32/1325496732.db2.gz JHVZWYJGFZKWSB-INIZCTEOSA-N 1 0 343.431 2.913 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CC[C@@H]3CCCO3)C2)cc1C ZINC001317071200 1325540056 /nfs/dbraw/zinc/54/00/56/1325540056.db2.gz WVNOFODMNSQRRQ-BZSNNMDCSA-N 1 0 346.471 2.700 10 10 EFCERO CCO[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1)C1CC1 ZINC001317109481 1325581241 /nfs/dbraw/zinc/58/12/41/1325581241.db2.gz OCNCFHQWCRWUNE-SCTDSRPQSA-N 1 0 346.471 2.556 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CC(C)(F)F)C2)cc1C ZINC001317119257 1325587960 /nfs/dbraw/zinc/58/79/60/1325587960.db2.gz NCTQYZYHCUMRRM-OKILXGFUSA-N 1 0 326.387 2.786 10 10 EFCERO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H](O)C3(CC3)C2)ccc1N1CCCCC1 ZINC001320775042 1329301031 /nfs/dbraw/zinc/30/10/31/1329301031.db2.gz KXZDJDWTJRESPE-QGZVFWFLSA-N 1 0 331.416 2.542 10 10 EFCERO CC[C@H](F)C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001317352730 1327884564 /nfs/dbraw/zinc/88/45/64/1327884564.db2.gz DFTLOXDIBBZHPG-JSGCOSHPSA-N 1 0 349.410 2.649 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2ccc(C)n2C)cc1C ZINC001321462473 1329388859 /nfs/dbraw/zinc/38/88/59/1329388859.db2.gz YZKJFNKXDXROAK-CQSZACIVSA-N 1 0 329.444 2.559 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)c2c(F)cncc2F)cc1C ZINC001317592745 1328172000 /nfs/dbraw/zinc/17/20/00/1328172000.db2.gz WSDZUQRRCCOYAJ-UHFFFAOYSA-N 1 0 349.381 2.539 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)c2occ3c2CCC3)cc1C ZINC001317614959 1328196017 /nfs/dbraw/zinc/19/60/17/1328196017.db2.gz RAEXNKINUWHZSH-UHFFFAOYSA-N 1 0 342.439 2.947 10 10 EFCERO COc1ccc(C[NH2+]CCN(C)C(=O)c2ncoc2C2CC2)cc1C ZINC001317649508 1328235703 /nfs/dbraw/zinc/23/57/03/1328235703.db2.gz KGXJVHRWGGSNCC-UHFFFAOYSA-N 1 0 343.427 2.731 10 10 EFCERO Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@@](O)(C3CC3)C2)c1 ZINC001322227129 1329439277 /nfs/dbraw/zinc/43/92/77/1329439277.db2.gz LWWDLQSOWYNUTE-HNNXBMFYSA-N 1 0 326.234 2.810 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)c2cc[nH]c2C)C2CC2)cc1C ZINC001322975701 1329502104 /nfs/dbraw/zinc/50/21/04/1329502104.db2.gz NXMSVFXKFHZFAB-GOSISDBHSA-N 1 0 341.455 2.938 10 10 EFCERO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)COC(C)C)cc1C ZINC001324126821 1329601688 /nfs/dbraw/zinc/60/16/88/1329601688.db2.gz ARCMXJNTFQAMOX-QGZVFWFLSA-N 1 0 334.460 2.509 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)COC(C)C)cc1C ZINC001324126819 1329601820 /nfs/dbraw/zinc/60/18/20/1329601820.db2.gz ARCMXJNTFQAMOX-KRWDZBQOSA-N 1 0 334.460 2.509 10 10 EFCERO CCOCCC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001324131481 1329602370 /nfs/dbraw/zinc/60/23/70/1329602370.db2.gz UYUMVUVVFBOVJZ-QGZVFWFLSA-N 1 0 334.460 2.511 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)C3CCOCC3)CCC2)cc1C ZINC001326773566 1330362592 /nfs/dbraw/zinc/36/25/92/1330362592.db2.gz YPVUSHIOXJEDBS-UHFFFAOYSA-N 1 0 346.471 2.559 10 10 EFCERO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001327580771 1330498574 /nfs/dbraw/zinc/49/85/74/1330498574.db2.gz AUKWARKATWCKCN-MISYRCLQSA-N 1 0 332.488 2.943 10 10 EFCERO C[C@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)c1ccccn1 ZINC001328059376 1330547109 /nfs/dbraw/zinc/54/71/09/1330547109.db2.gz DCJSIQNTYJDWQK-MRXNPFEDSA-N 1 0 342.462 2.866 10 10 EFCERO CC(C)CC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001329204365 1330680594 /nfs/dbraw/zinc/68/05/94/1330680594.db2.gz YXGNBYJOGZGFBA-QWHCGFSZSA-N 1 0 333.436 2.992 10 10 EFCERO CC(C)CC[NH2+][C@H](C)[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001329204364 1330680657 /nfs/dbraw/zinc/68/06/57/1330680657.db2.gz YXGNBYJOGZGFBA-OLZOCXBDSA-N 1 0 333.436 2.992 10 10 EFCERO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]Cc1nc2c(c(=O)[nH]1)COCC2 ZINC001329375662 1330699974 /nfs/dbraw/zinc/69/99/74/1330699974.db2.gz MUHIRVJYPWRZMZ-RISCZKNCSA-N 1 0 341.411 2.607 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CC2(F)F)cc1C ZINC001331444139 1330837623 /nfs/dbraw/zinc/83/76/23/1330837623.db2.gz WTTJNHKRYJOORP-JSGCOSHPSA-N 1 0 326.387 2.595 10 10 EFCERO COC(=O)c1c(C[NH2+][C@H]2CC[C@@H](OC)C2)c2cc(F)ccc2n1C ZINC001332004612 1330903448 /nfs/dbraw/zinc/90/34/48/1330903448.db2.gz MIHACTVUAVLOPF-QWHCGFSZSA-N 1 0 334.391 2.761 10 10 EFCERO CCCC[C@](C)(CO)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001332341326 1330960339 /nfs/dbraw/zinc/96/03/39/1330960339.db2.gz UMPXFWBSLREDGB-LJQANCHMSA-N 1 0 337.483 2.608 10 10 EFCERO C[NH+](C)CC(C)(C)C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC001333284014 1331105692 /nfs/dbraw/zinc/10/56/92/1331105692.db2.gz FSPNNMOLYXAYKQ-SOFGYWHQSA-N 1 0 346.471 2.937 10 10 EFCERO CN1CCN(c2ccc(C[N@@H+]3CC[C@H]([C@H]4CCCO4)C3)cc2F)CC1 ZINC001333736159 1331204969 /nfs/dbraw/zinc/20/49/69/1331204969.db2.gz RCITUXOIFNTJDJ-FXAWDEMLSA-N 1 0 347.478 2.578 10 10 EFCERO CN1CCN(c2ccc(C[N@@H+]3CC[C@@]4(C3)CCCOC4)cc2F)CC1 ZINC001333820510 1331219575 /nfs/dbraw/zinc/21/95/75/1331219575.db2.gz QLZYTAMBNCSFMQ-HXUWFJFHSA-N 1 0 347.478 2.580 10 10 EFCERO CN1c2ccccc2C[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1=O ZINC001347357387 1332737463 /nfs/dbraw/zinc/73/74/63/1332737463.db2.gz QXWNFNJEPKLSQI-IBGZPJMESA-N 1 0 335.451 2.964 10 10 EFCERO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)cc1 ZINC001347935714 1332786301 /nfs/dbraw/zinc/78/63/01/1332786301.db2.gz OTWAMOMBHURMGO-MAVJXHJTSA-N 1 0 327.472 2.756 10 10 EFCERO C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CC[N@@H+]1C1CCCC1 ZINC001352970926 1333839007 /nfs/dbraw/zinc/83/90/07/1333839007.db2.gz UONXZZLVAUDTST-CYBMUJFWSA-N 1 0 343.431 2.938 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+]C[C@](C)(O)C2CC2)c1O ZINC000848527449 1334775453 /nfs/dbraw/zinc/77/54/53/1334775453.db2.gz AXCHLZJVOQRTQF-VFZGTOFNSA-N 1 0 344.249 2.975 10 10 EFCERO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CS1 ZINC000848521309 1334771448 /nfs/dbraw/zinc/77/14/48/1334771448.db2.gz MPMFQAGXIMSEBM-OIISXLGYSA-N 1 0 347.528 2.762 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+]Cc2nccn2C)c1O ZINC000848524442 1334772122 /nfs/dbraw/zinc/77/21/22/1334772122.db2.gz IYCXEOUERGPABG-SECBINFHSA-N 1 0 340.221 2.748 10 10 EFCERO COc1ccc(N2CCN(CC[NH2+][C@@H]3CC[C@@H](C)SC3)CC2)cc1 ZINC000848525588 1334775571 /nfs/dbraw/zinc/77/55/71/1334775571.db2.gz OBPOJKVKILDEFT-IAGOWNOFSA-N 1 0 349.544 2.691 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](C)CCO)c1O ZINC000848531418 1334777340 /nfs/dbraw/zinc/77/73/40/1334777340.db2.gz ODOJXUTXMGKLIA-VHSXEESVSA-N 1 0 332.238 2.832 10 10 EFCERO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](C)CCO)c1O ZINC000848531416 1334777508 /nfs/dbraw/zinc/77/75/08/1334777508.db2.gz ODOJXUTXMGKLIA-NXEZZACHSA-N 1 0 332.238 2.832 10 10 EFCERO Cn1c(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)cnc1Cl ZINC000848529763 1334777553 /nfs/dbraw/zinc/77/75/53/1334777553.db2.gz QWOSYSPMJNKDKI-UHFFFAOYSA-N 1 0 348.878 2.572 10 10 EFCERO CC[C@H](O)CC[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848532920 1334780106 /nfs/dbraw/zinc/78/01/06/1334780106.db2.gz MNJXVNPMTMTNHF-ONGXEEELSA-N 1 0 332.238 2.975 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)C[C@H](C)O)c1O ZINC000848544789 1334786841 /nfs/dbraw/zinc/78/68/41/1334786841.db2.gz OLSRIKRVCGFROY-UTLUCORTSA-N 1 0 332.238 2.973 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2C[C@H](O)C2(C)C)c1O ZINC000848546555 1334787629 /nfs/dbraw/zinc/78/76/29/1334787629.db2.gz BCBNUHZEAGSXFD-CKLFPEKLSA-N 1 0 344.249 2.973 10 10 EFCERO COc1cc(Br)cc([C@H](C)[NH2+][C@@H](CO)CCF)c1O ZINC000848555351 1334792786 /nfs/dbraw/zinc/79/27/86/1334792786.db2.gz AKOQOTRDPBANGC-WCBMZHEXSA-N 1 0 336.201 2.534 10 10 EFCERO CN(C)c1ccc(CN[C@@H](C[NH3+])C(F)(F)F)c(C(F)(F)F)c1 ZINC000848713950 1334856280 /nfs/dbraw/zinc/85/62/80/1334856280.db2.gz AACPAZCKCKPUML-NSHDSACASA-N 1 0 329.288 2.751 10 10 EFCERO CCc1cccc(C[NH2+][C@H](Cc2ccccc2)C(=O)N(C)C)c1O ZINC000848896203 1334969165 /nfs/dbraw/zinc/96/91/65/1334969165.db2.gz VEPHQSZBVGZTEG-GOSISDBHSA-N 1 0 326.440 2.744 10 10 EFCERO CCOC(=O)CC[N@H+](Cc1ccc(N2CCOCC2)cc1)C(C)C ZINC000848927631 1334992043 /nfs/dbraw/zinc/99/20/43/1334992043.db2.gz JKRSFXKFDSOXKW-UHFFFAOYSA-N 1 0 334.460 2.687 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)CC[C@H]2CCCO2)cc1C ZINC001507047900 1406636918 /nfs/dbraw/zinc/63/69/18/1406636918.db2.gz NQOZIKQAPLJLBL-FUHWJXTLSA-N 1 0 348.487 2.899 10 10 EFCERO O=C(NCc1cc(O)ccc1O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001455355180 1394593552 /nfs/dbraw/zinc/59/35/52/1394593552.db2.gz APBYSMZQXZNBRT-MRXNPFEDSA-N 1 0 340.423 2.626 10 10 EFCERO CC[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001507102961 1406706483 /nfs/dbraw/zinc/70/64/83/1406706483.db2.gz CTMDUYBIJJPGND-JQHSSLGASA-N 1 0 348.487 2.755 10 10 EFCERO CCOCCOC1CC[NH+](Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC001459309376 1395792503 /nfs/dbraw/zinc/79/25/03/1395792503.db2.gz KTKZZIYTTKYTPT-UHFFFAOYSA-N 1 0 339.407 2.751 10 10 EFCERO O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001464831848 1396616170 /nfs/dbraw/zinc/61/61/70/1396616170.db2.gz QCUJMZZGUKAQEZ-QGZVFWFLSA-N 1 0 346.471 2.755 10 10 EFCERO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC001464984247 1396637859 /nfs/dbraw/zinc/63/78/59/1396637859.db2.gz ZTDRRCJIHNTQJA-QGZVFWFLSA-N 1 0 339.439 2.731 10 10 EFCERO O=C(C1=CC(=O)CS1)N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC001467964903 1396914802 /nfs/dbraw/zinc/91/48/02/1396914802.db2.gz UVTXBJTXTDQRQZ-UHFFFAOYSA-N 1 0 339.420 2.964 10 10 EFCERO Cc1cc(CC(=O)NC[C@H](C)C[NH+](C)C)c(C)n1-c1ccccc1 ZINC001468498405 1396962164 /nfs/dbraw/zinc/96/21/64/1396962164.db2.gz NKMBBVLLJQDACK-HNNXBMFYSA-N 1 0 327.472 2.951 10 10 EFCERO O=C(NCc1c(O)cccc1O)C1CC[NH+](Cc2ccccc2)CC1 ZINC001472064110 1397242702 /nfs/dbraw/zinc/24/27/02/1397242702.db2.gz TUDRUPDXVLPJCC-UHFFFAOYSA-N 1 0 340.423 2.626 10 10 EFCERO CC[C@@H](F)C[N@H+](C)CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001479815732 1397910493 /nfs/dbraw/zinc/91/04/93/1397910493.db2.gz IHXWWHBIEBRYCN-CYBMUJFWSA-N 1 0 337.399 2.649 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C[C@@H]2CCCCO2)cc1C ZINC001496043223 1400437622 /nfs/dbraw/zinc/43/76/22/1400437622.db2.gz SBSYBUWGLIUTHA-AEFFLSMTSA-N 1 0 348.487 2.899 10 10 EFCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)c2conc2C)cc1C ZINC001497260233 1401253084 /nfs/dbraw/zinc/25/30/84/1401253084.db2.gz QAQQBMPZXNRGGX-ZDUSSCGKSA-N 1 0 331.416 2.598 10 10 EFCERO CC[C@@H](C)C[NH2+]CC[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001497329488 1401305792 /nfs/dbraw/zinc/30/57/92/1401305792.db2.gz NUCRSVBNMIAYFN-OLZOCXBDSA-N 1 0 333.436 2.993 10 10 EFCERO CC[C@@H](C)C[NH2+]CC[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001497329486 1401306200 /nfs/dbraw/zinc/30/62/00/1401306200.db2.gz NUCRSVBNMIAYFN-CHWSQXEVSA-N 1 0 333.436 2.993 10 10 EFCERO CCc1oncc1C(=O)NC/C=C/C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001497694903 1401559185 /nfs/dbraw/zinc/55/91/85/1401559185.db2.gz XGCSGYHOOPMYKA-AATRIKPKSA-N 1 0 343.427 2.630 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](NC(=O)[C@@H]2CCCO2)C(C)(C)C)cc1C ZINC001507874923 1407193659 /nfs/dbraw/zinc/19/36/59/1407193659.db2.gz LGAKVYCONWPQNL-ROUUACIJSA-N 1 0 348.487 2.803 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2csnc2C)cc1C ZINC001497806883 1401668462 /nfs/dbraw/zinc/66/84/62/1401668462.db2.gz MCSHNKDAWOTDQT-GFCCVEGCSA-N 1 0 333.457 2.677 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2cc(C)c(C)cn2)cc1C ZINC001497866755 1401704446 /nfs/dbraw/zinc/70/44/46/1401704446.db2.gz LEHABDAMTRVHGG-MRXNPFEDSA-N 1 0 341.455 2.924 10 10 EFCERO CCc1ncc(C(=O)N[C@@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)s1 ZINC001498201313 1401907736 /nfs/dbraw/zinc/90/77/36/1401907736.db2.gz CNKSFVAPOSBNNE-ZDUSSCGKSA-N 1 0 347.484 2.931 10 10 EFCERO CCc1nnc(N(C)Cc2ccccc2O)n1C[C@H](C)[NH+](CC)CC ZINC001498674578 1402237014 /nfs/dbraw/zinc/23/70/14/1402237014.db2.gz CTVFQWSCLQUGIM-HNNXBMFYSA-N 1 0 345.491 2.913 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)[C@@H]2CC2(F)F)C2CC2)cc1C ZINC001498759238 1402271831 /nfs/dbraw/zinc/27/18/31/1402271831.db2.gz MITSYOJVATTXCK-LSDHHAIUSA-N 1 0 338.398 2.643 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)c2nocc2C)C2CC2)cc1C ZINC001498846212 1402332363 /nfs/dbraw/zinc/33/23/63/1402332363.db2.gz HPIXICUPWLMCBI-MRXNPFEDSA-N 1 0 343.427 2.598 10 10 EFCERO COc1ccc(C[NH2+]C2(CNC(=O)c3cc(C)co3)CC2)cc1C ZINC001499324607 1402566022 /nfs/dbraw/zinc/56/60/22/1402566022.db2.gz BMUKIIYBXSXNQW-UHFFFAOYSA-N 1 0 328.412 2.957 10 10 EFCERO NC(=O)N=Nc1ccc(C(=O)NCC2([NH2+]CCC3CC3)CC2)cc1 ZINC001499464449 1402626270 /nfs/dbraw/zinc/62/62/70/1402626270.db2.gz UZQJKUSALGGPQF-UHFFFAOYSA-N 1 0 329.404 2.501 10 10 EFCERO CCO[C@@H](C)C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001499875219 1402836307 /nfs/dbraw/zinc/83/63/07/1402836307.db2.gz WQWDIAYJKHLOIN-RDJZCZTQSA-N 1 0 334.460 2.509 10 10 EFCERO CCC[C@@H](OC)C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001499916017 1402852177 /nfs/dbraw/zinc/85/21/77/1402852177.db2.gz LGHPSHYQIWLFFO-PKOBYXMFSA-N 1 0 348.487 2.899 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](NC(=O)[C@H](C)OC)C2CCCC2)cc1C ZINC001500075419 1402925148 /nfs/dbraw/zinc/92/51/48/1402925148.db2.gz OMXDLQNTJWNPEC-YJBOKZPZSA-N 1 0 348.487 2.803 10 10 EFCERO CCOCCC(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001500325521 1403054807 /nfs/dbraw/zinc/05/48/07/1403054807.db2.gz YFURBEDEYRXCRC-HXUWFJFHSA-N 1 0 348.487 2.758 10 10 EFCERO COc1ccc(C[NH2+]C[C@]2(C)CCN(C(=O)c3cnco3)C2)cc1C ZINC001500366339 1403077359 /nfs/dbraw/zinc/07/73/59/1403077359.db2.gz RNCOVYCRNUBEMK-IBGZPJMESA-N 1 0 343.427 2.634 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CCCF)C[C@@H]2C)cc1C ZINC001501133270 1403453462 /nfs/dbraw/zinc/45/34/62/1403453462.db2.gz VMDKTBVDRUCYFM-DOTOQJQBSA-N 1 0 336.451 2.937 10 10 EFCERO COc1ccc(C[NH2+]CC[C@H]2CCN(C(=O)c3cocn3)C2)cc1C ZINC001501544979 1403621564 /nfs/dbraw/zinc/62/15/64/1403621564.db2.gz VMVSTJZEQRRRKA-HNNXBMFYSA-N 1 0 343.427 2.634 10 10 EFCERO COCC1(C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)CCC1 ZINC001505655828 1404902478 /nfs/dbraw/zinc/90/24/78/1404902478.db2.gz FDQJJXQHRUCQET-CVEARBPZSA-N 1 0 348.487 2.803 10 10 EFCERO CCc1ncoc1C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001505690750 1404944019 /nfs/dbraw/zinc/94/40/19/1404944019.db2.gz SFXODPZLYJVTGZ-KGLIPLIRSA-N 1 0 345.443 2.851 10 10 EFCERO C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@H](C)[NH2+]C/C=C\Cl ZINC001505764382 1405039502 /nfs/dbraw/zinc/03/95/02/1405039502.db2.gz FMWYAJZXVBELCX-ASLDUKLDSA-N 1 0 337.811 2.698 10 10 EFCERO CC(C)c1nnc(N(C)Cc2ccccc2O)n1CC[NH+]1CCCC1 ZINC001508915380 1407719530 /nfs/dbraw/zinc/71/95/30/1407719530.db2.gz LPVMCSSOFNIKNY-UHFFFAOYSA-N 1 0 343.475 2.839 10 10 EFCERO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001557063145 1415103755 /nfs/dbraw/zinc/10/37/55/1415103755.db2.gz GMMGVPGOUCOXMF-ZACQAIPSSA-N 1 0 331.504 2.981 10 10 EFCERO CC[C@@H](F)C[NH2+][C@H]1C[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001565878807 1415132591 /nfs/dbraw/zinc/13/25/91/1415132591.db2.gz YWVQIDPXEHQQGE-UXIGCNINSA-N 1 0 349.410 2.695 10 10 EFCERO COC(=O)c1coc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC001559709541 1415253688 /nfs/dbraw/zinc/25/36/88/1415253688.db2.gz JPYDICPDTIIXFA-AWEZNQCLSA-N 1 0 344.411 2.754 10 10 EFCERO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1C[C@H](CC)CC[C@H]1C)cc2=O ZINC001560003760 1415261513 /nfs/dbraw/zinc/26/15/13/1415261513.db2.gz DDWXXYXPGLSJEW-CHWSQXEVSA-N 1 0 346.431 2.622 10 10 EFCERO CCN(C)c1ccc(C[N@@H+]2CCN(c3cnccn3)[C@@H](C)C2)cc1 ZINC001560239719 1415269304 /nfs/dbraw/zinc/26/93/04/1415269304.db2.gz KPFMKYXSMOQBEO-INIZCTEOSA-N 1 0 325.460 2.643 10 10 EFCERO c1cnn(-c2cc[nH+]cc2NCc2ccc(N3CCOCC3)cc2)c1 ZINC001560415473 1415282442 /nfs/dbraw/zinc/28/24/42/1415282442.db2.gz NOLNUOODCMUGJP-UHFFFAOYSA-N 1 0 335.411 2.716 10 10 EFCERO CC[C@H]1CCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)[C@H]1C ZINC001565273353 1415392369 /nfs/dbraw/zinc/39/23/69/1415392369.db2.gz VTRNLGVQZCBYFA-WMZOPIPTSA-N 1 0 344.503 2.768 10 10 EFCERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2oncc2C)C2CC2)cc1C ZINC001566727600 1415747469 /nfs/dbraw/zinc/74/74/69/1415747469.db2.gz FDEWYJOYSFDQJE-INIZCTEOSA-N 1 0 343.427 2.598 10 10 EFCERO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H](C)OCC3CC3)C2)cc1C ZINC001566783761 1415773760 /nfs/dbraw/zinc/77/37/60/1415773760.db2.gz PODTYIGQSVCNFA-ZTFGCOKTSA-N 1 0 346.471 2.556 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2scnc2C)cc1C ZINC001566999589 1415894699 /nfs/dbraw/zinc/89/46/99/1415894699.db2.gz GYLFKIFBTFBKSR-LBPRGKRZSA-N 1 0 333.457 2.677 10 10 EFCERO COCC1(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)CCCC1 ZINC001567022005 1415903797 /nfs/dbraw/zinc/90/37/97/1415903797.db2.gz PVSDAFKNKIMYGG-MRXNPFEDSA-N 1 0 348.487 2.805 10 10 EFCERO CCc1cncc(C(=O)NC[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)c1 ZINC001567037792 1415909882 /nfs/dbraw/zinc/90/98/82/1415909882.db2.gz UNOGIBKYYAJVHA-HNNXBMFYSA-N 1 0 341.455 2.869 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H](C)C(C)(F)F)cc1C ZINC001567053723 1415917238 /nfs/dbraw/zinc/91/72/38/1415917238.db2.gz CDAKCFUHHTUIPJ-CHWSQXEVSA-N 1 0 328.403 2.889 10 10 EFCERO CCc1cncc(C(=O)N(C)CC[NH2+]Cc2ccc(OC)c(C)c2)c1 ZINC001567531749 1416176890 /nfs/dbraw/zinc/17/68/90/1416176890.db2.gz ZBGNTRZHEBSOOG-UHFFFAOYSA-N 1 0 341.455 2.823 10 10 EFCERO CC[C@@H](CNC(=O)c1cncs1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567950879 1416340841 /nfs/dbraw/zinc/34/08/41/1416340841.db2.gz JWZZSFKBRVJUOL-AWEZNQCLSA-N 1 0 333.457 2.758 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@H]2CC2(F)F)cc1C ZINC001568170814 1416432367 /nfs/dbraw/zinc/43/23/67/1416432367.db2.gz NANALWCGDKKDMY-SMDDNHRTSA-N 1 0 326.387 2.501 10 10 EFCERO CC[C@H](F)C[NH2+]C[C@@H](C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001568322602 1416476571 /nfs/dbraw/zinc/47/65/71/1416476571.db2.gz OXUPUXZBYDIGHG-YPMHNXCESA-N 1 0 337.399 2.647 10 10 EFCERO Cc1cc(CN2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)ccc1N1CCCCC1 ZINC001646272915 1416641196 /nfs/dbraw/zinc/64/11/96/1416641196.db2.gz MRAQXTLTVLTJAJ-OALUTQOASA-N 1 0 345.531 2.872 10 10 EFCERO Cc1cc(CN2C[C@H](C)[N@@H+](CCO)C[C@H]2C)ccc1N1CCCCC1 ZINC001646272917 1416641288 /nfs/dbraw/zinc/64/12/88/1416641288.db2.gz MRAQXTLTVLTJAJ-RBUKOAKNSA-N 1 0 345.531 2.872 10 10 EFCERO C[C@H](CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C(C)(C)C ZINC001683702186 1416682862 /nfs/dbraw/zinc/68/28/62/1416682862.db2.gz YYJJXCBPFWXZMP-MRXNPFEDSA-N 1 0 346.519 2.920 10 10 EFCERO CN(C)c1ccc([C@@H](CNC(=O)NC2(C3(C)CC3)CC2)[NH+](C)C)cc1 ZINC001684608024 1416724628 /nfs/dbraw/zinc/72/46/28/1416724628.db2.gz YVTYKIZTLSKLSJ-QGZVFWFLSA-N 1 0 344.503 2.987 10 10 EFCERO C[N@@H+]1CCCC[C@H]1CNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC001685617980 1416769152 /nfs/dbraw/zinc/76/91/52/1416769152.db2.gz ZICUDLQNKYPYGN-HNNXBMFYSA-N 1 0 331.460 2.555 10 10 EFCERO C[C@H]1CCC[C@H]1CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001686243359 1416793563 /nfs/dbraw/zinc/79/35/63/1416793563.db2.gz IVXAXZGHCLVKNY-WMZOPIPTSA-N 1 0 344.503 2.674 10 10 EFCERO Cc1cc(Br)cc(CN2CC[N@@H+]3CCC[C@@H]3C2)c1O ZINC000124595461 1417121104 /nfs/dbraw/zinc/12/11/04/1417121104.db2.gz GSANZZNJEKAKOW-CQSZACIVSA-N 1 0 325.250 2.743 10 10 EFCERO COC[C@@H](C)[C@H](C)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001690341504 1417193634 /nfs/dbraw/zinc/19/36/34/1417193634.db2.gz QTWRFZGMFGPYMU-ATLSCFEFSA-N 1 0 348.487 2.659 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)Cc2cc(C)on2)cc1C ZINC001690836057 1417243376 /nfs/dbraw/zinc/24/33/76/1417243376.db2.gz SVENXOZCBVKGPO-CQSZACIVSA-N 1 0 345.443 2.527 10 10 EFCERO C[C@]1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CCC[N@H+](CCF)C1 ZINC001699879862 1417495906 /nfs/dbraw/zinc/49/59/06/1417495906.db2.gz ZOQCXZVHPZVAKC-QGZVFWFLSA-N 1 0 349.410 2.650 10 10 EFCERO CCC1(C(=O)NC[C@H](CO)[NH2+]Cc2ccc(OC)c(C)c2)CCCC1 ZINC001700825339 1417659100 /nfs/dbraw/zinc/65/91/00/1417659100.db2.gz PSNHUTULAPEOSI-QGZVFWFLSA-N 1 0 348.487 2.541 10 10 EFCERO CCC1(C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(OC)c(C)c2)CCCC1 ZINC001700825338 1417659161 /nfs/dbraw/zinc/65/91/61/1417659161.db2.gz PSNHUTULAPEOSI-KRWDZBQOSA-N 1 0 348.487 2.541 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2ccc(C)n2C)cc1C ZINC001713294625 1418459403 /nfs/dbraw/zinc/45/94/03/1418459403.db2.gz AEBRNCAXUBWICG-AWEZNQCLSA-N 1 0 329.444 2.559 10 10 EFCERO CCc1cccnc1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001713321206 1418471905 /nfs/dbraw/zinc/47/19/05/1418471905.db2.gz KKBOMUFTXUJIMJ-OAHLLOKOSA-N 1 0 341.455 2.869 10 10 EFCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)C[C@H]2CCCOC2)cc1C ZINC001713422498 1418518891 /nfs/dbraw/zinc/51/88/91/1418518891.db2.gz QCLSIRLOWRWZTE-SJLPKXTDSA-N 1 0 348.487 2.805 10 10 EFCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)C2=COCCC2)cc1C ZINC001715623954 1418679920 /nfs/dbraw/zinc/67/99/20/1418679920.db2.gz OKBJKNMDPFGDAI-HNNXBMFYSA-N 1 0 332.444 2.682 10 10 EFCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)cc1C ZINC001715862390 1418692219 /nfs/dbraw/zinc/69/22/19/1418692219.db2.gz LEGCDAGXHGLEEV-GOWPUTTJSA-N 1 0 328.456 2.812 10 10 EFCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@H]1CCO[C@H](C)C1 ZINC001716252393 1418740416 /nfs/dbraw/zinc/74/04/16/1418740416.db2.gz KLKHKRKVGWMXHZ-AEFFLSMTSA-N 1 0 348.487 2.757 10 10 EFCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)C[C@H]1CCCOC1 ZINC001716254692 1418741426 /nfs/dbraw/zinc/74/14/26/1418741426.db2.gz RYXXAISJUNKGPL-GOSISDBHSA-N 1 0 348.487 2.758 10 10 EFCERO CC(C)CC[NH2+]C/C=C/CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001716382171 1418864241 /nfs/dbraw/zinc/86/42/41/1418864241.db2.gz DBCPMFPITGTIDC-OPAYYZTASA-N 1 0 331.420 2.771 10 10 EFCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2cnc(C3CC3)o2)cc1C ZINC001716440723 1418883886 /nfs/dbraw/zinc/88/38/86/1418883886.db2.gz PCXNJVJLCHTZCM-ZDUSSCGKSA-N 1 0 343.427 2.777 10 10 EFCERO COc1ccc(C[NH2+]CCCN(C)C(=O)c2cc(F)c[nH]2)cc1C ZINC001716555972 1418915667 /nfs/dbraw/zinc/91/56/67/1418915667.db2.gz OOBGDQBAIZUXQJ-UHFFFAOYSA-N 1 0 333.407 2.723 10 10 EFCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)c2ccns2)C2CC2)cc1C ZINC001716613240 1418924904 /nfs/dbraw/zinc/92/49/04/1418924904.db2.gz VCFVUZXTJUHBFX-OAHLLOKOSA-N 1 0 345.468 2.758 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2ccns2)cc1C ZINC001717341159 1419341875 /nfs/dbraw/zinc/34/18/75/1419341875.db2.gz UNRNFKWHWPJSFJ-ZDUSSCGKSA-N 1 0 333.457 2.758 10 10 EFCERO COCCCC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001724520418 1424779377 /nfs/dbraw/zinc/77/93/77/1424779377.db2.gz UTRTUMVXJPXQEF-SJLPKXTDSA-N 1 0 348.487 2.757 10 10 EFCERO COCCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001724745471 1424973782 /nfs/dbraw/zinc/97/37/82/1424973782.db2.gz JDVHEYQRMZYLPJ-SAABIXHNSA-N 1 0 348.487 2.805 10 10 EFCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2C[C@H]3C[C@H]3C2)cc1C ZINC001725503415 1425624086 /nfs/dbraw/zinc/62/40/86/1425624086.db2.gz JMNPQWNWMHDGIM-DZJNRPSUSA-N 1 0 330.472 2.986 10 10 EFCERO C[C@@H](CN(C)C(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CC1CCC1 ZINC001725523965 1425635224 /nfs/dbraw/zinc/63/52/24/1425635224.db2.gz MZHSEQVYJRBUEY-LBPRGKRZSA-N 1 0 331.420 2.699 10 10 EFCERO C[C@@H]1C[C@H]([NH2+]C/C=C/Cl)CN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001725580877 1425665966 /nfs/dbraw/zinc/66/59/66/1425665966.db2.gz ADKSOIOVYHVDBR-XPLRPXJUSA-N 1 0 349.822 2.794 10 10 EFCERO Cc1cnn(C[C@@H]2C[N@H+](Cc3cc4c(cc3O)CCCC4)CCO2)c1 ZINC000160183898 712914729 /nfs/dbraw/zinc/91/47/29/712914729.db2.gz RQISBEYYWSEGQT-IBGZPJMESA-N 1 0 341.455 2.677 10 10 EFCERO CC1CC[NH+](CC(=O)NCc2cc(Br)ccc2O)CC1 ZINC000804736574 713455836 /nfs/dbraw/zinc/45/58/36/713455836.db2.gz VDHQSYMRKMXTLY-UHFFFAOYSA-N 1 0 341.249 2.503 10 10 EFCERO COc1cc(C[NH+]2CCC(Nc3cccnn3)CC2)c(O)cc1C ZINC000160286187 713500305 /nfs/dbraw/zinc/50/03/05/713500305.db2.gz IYGFJYFYXRCMSL-UHFFFAOYSA-N 1 0 328.416 2.576 10 10 EFCERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000176286639 715200427 /nfs/dbraw/zinc/20/04/27/715200427.db2.gz PLPRGROMMWDLPY-SFHVURJKSA-N 1 0 344.503 2.695 10 10 EFCERO CC[C@H](CO)[NH+]1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000093739772 716229890 /nfs/dbraw/zinc/22/98/90/716229890.db2.gz HWXPUVFSFPMYKP-LJQANCHMSA-N 1 0 331.504 2.565 10 10 EFCERO COC(=O)c1c(C[N@@H+]2C[C@@H]3COC[C@]3(C)C2)c2cc(F)ccc2n1C ZINC000895274300 723967522 /nfs/dbraw/zinc/96/75/22/723967522.db2.gz HXJBYHMRDOCLKF-BLVKFPJESA-N 1 0 346.402 2.572 10 10 EFCERO Cc1cc(C(=O)N2CCC[C@@H]2Cn2ccnc2)c(C)n1-c1ccccn1 ZINC000177801474 718202152 /nfs/dbraw/zinc/20/21/52/718202152.db2.gz WNUVGSCTGOAGDY-QGZVFWFLSA-N 1 0 349.438 2.990 10 10 EFCERO O=C1CCCCN1C1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000177986027 718231960 /nfs/dbraw/zinc/23/19/60/718231960.db2.gz IIMAOMFOGHTQLN-UHFFFAOYSA-N 1 0 328.456 2.858 10 10 EFCERO Cc1ccnc(N)c1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000893879023 720138651 /nfs/dbraw/zinc/13/86/51/720138651.db2.gz BYIWJPAKYNOYPT-INIZCTEOSA-N 1 0 327.428 2.859 10 10 EFCERO C[C@@H]1[C@@H](NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)CC[N@@H+]1C ZINC000917524129 728750751 /nfs/dbraw/zinc/75/07/51/728750751.db2.gz WNTAAWAOZLXNGG-APWZRJJASA-N 1 0 344.503 2.815 10 10 EFCERO CCN(CC)c1ccc(CNC(=O)N(C)CCC[NH+](C)C)cc1F ZINC000186092379 720445751 /nfs/dbraw/zinc/44/57/51/720445751.db2.gz JPXLBKBTJSQJJT-UHFFFAOYSA-N 1 0 338.471 2.765 10 10 EFCERO CN(C)c1ccc(CNC(=O)NCC[N@H+](C)C2CCCCC2)cc1 ZINC000123201470 720824542 /nfs/dbraw/zinc/82/45/42/720824542.db2.gz COWIGSFEVOEVBN-UHFFFAOYSA-N 1 0 332.492 2.816 10 10 EFCERO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3COCC3(C)C)cc2F)C[C@@H](C)O1 ZINC000894192891 721187693 /nfs/dbraw/zinc/18/76/93/721187693.db2.gz JHNROWJPSJQMIW-HBUWYVDXSA-N 1 0 336.451 2.954 10 10 EFCERO C[C@@H]1CN(c2ccc(C[NH2+][C@H]3COCC3(C)C)cc2F)C[C@@H](C)O1 ZINC000894192893 721187799 /nfs/dbraw/zinc/18/77/99/721187799.db2.gz JHNROWJPSJQMIW-LBTNJELSSA-N 1 0 336.451 2.954 10 10 EFCERO CCc1[nH]c(C[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1C(=O)OC ZINC000894208290 721212984 /nfs/dbraw/zinc/21/29/84/721212984.db2.gz FQPYOXVBAMXUSL-UHFFFAOYSA-N 1 0 333.407 2.859 10 10 EFCERO COC(=O)c1c(C[NH2+]CCC[C@H](C)CO)c2cc(F)ccc2n1C ZINC000894367045 722621293 /nfs/dbraw/zinc/62/12/93/722621293.db2.gz JWCDDPIVWDYSQE-LBPRGKRZSA-N 1 0 336.407 2.602 10 10 EFCERO COC(=O)c1c(C[N@@H+]2CCC[C@@H]([C@H](C)O)C2)c2cc(F)ccc2n1C ZINC000894421654 722732097 /nfs/dbraw/zinc/73/20/97/722732097.db2.gz FMFJSWGAGVTMTN-QWHCGFSZSA-N 1 0 348.418 2.697 10 10 EFCERO COC(=O)c1c(C[NH+]2CC([C@@H]3CCOC3)C2)c2cc(F)ccc2n1C ZINC000894604859 722790812 /nfs/dbraw/zinc/79/08/12/722790812.db2.gz RHWOKRIUGWNQND-GFCCVEGCSA-N 1 0 346.402 2.572 10 10 EFCERO COC(=O)c1c(C[NH2+]C[C@@H]2CCSC2)c2cc(F)ccc2n1C ZINC000894597917 722793908 /nfs/dbraw/zinc/79/39/08/722793908.db2.gz RJIFCXPYJYFDGO-NSHDSACASA-N 1 0 336.432 2.947 10 10 EFCERO [O-]c1c(F)cc(F)cc1C[N@@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000894881453 722937392 /nfs/dbraw/zinc/93/73/92/722937392.db2.gz PHPDZLXOOVMZQF-QAPCUYQASA-N 1 0 337.341 2.970 10 10 EFCERO COC(=O)c1c(C[N@H+](C)CC(C)(C)CO)c2cc(F)ccc2n1C ZINC000894882031 722937891 /nfs/dbraw/zinc/93/78/91/722937891.db2.gz UGLOHNRBROQEIZ-UHFFFAOYSA-N 1 0 336.407 2.554 10 10 EFCERO COC(=O)c1c(C[NH2+][C@H](C)CC(C)(C)O)c2cc(F)ccc2n1C ZINC000894886388 723006517 /nfs/dbraw/zinc/00/65/17/723006517.db2.gz OXUZSAGQKMMQSI-LLVKDONJSA-N 1 0 336.407 2.743 10 10 EFCERO COC(=O)c1c(C[N@H+]2CC[C@@H](OC)[C@H](C)C2)c2cc(F)ccc2n1C ZINC000894902355 723019645 /nfs/dbraw/zinc/01/96/45/723019645.db2.gz JGYCQVBRPCQUGY-SJKOYZFVSA-N 1 0 348.418 2.961 10 10 EFCERO COC(=O)c1c(C[N@H+]2CC[C@H](OC)[C@@H](C)C2)c2cc(F)ccc2n1C ZINC000894902352 723019663 /nfs/dbraw/zinc/01/96/63/723019663.db2.gz JGYCQVBRPCQUGY-SJCJKPOMSA-N 1 0 348.418 2.961 10 10 EFCERO COC(=O)c1c(CN2CC3(C2)CCOCC3)c2cc(F)ccc2n1C ZINC000894977800 723041928 /nfs/dbraw/zinc/04/19/28/723041928.db2.gz WZNZMXMAUSCMHL-UHFFFAOYSA-N 1 0 346.402 2.716 10 10 EFCERO COC(=O)c1c(C[NH2+][C@H]2CCC[C@H](CO)C2)c2cc(F)ccc2n1C ZINC000895015529 723050834 /nfs/dbraw/zinc/05/08/34/723050834.db2.gz XBCKTLOIHFMCLL-JSGCOSHPSA-N 1 0 348.418 2.745 10 10 EFCERO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896742311 723457806 /nfs/dbraw/zinc/45/78/06/723457806.db2.gz KAQNQNOPDBDXDT-LBPRGKRZSA-N 1 0 334.441 2.869 10 10 EFCERO C[NH+](C)C[C@H]1CCCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896742310 723457833 /nfs/dbraw/zinc/45/78/33/723457833.db2.gz KAQNQNOPDBDXDT-GFCCVEGCSA-N 1 0 334.441 2.869 10 10 EFCERO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000896850720 723545980 /nfs/dbraw/zinc/54/59/80/723545980.db2.gz TXOWOHPSFZFNDC-NWDGAFQWSA-N 1 0 334.441 2.915 10 10 EFCERO COC(=O)c1c(C[N@@H+]2C[C@H]3COC[C@@]3(C)C2)c2cc(F)ccc2n1C ZINC000895274307 723968321 /nfs/dbraw/zinc/96/83/21/723968321.db2.gz HXJBYHMRDOCLKF-HXPMCKFVSA-N 1 0 346.402 2.572 10 10 EFCERO COC(=O)c1c(C[N@@H+]2C[C@H](C)[C@](C)(CO)C2)c2cc(F)ccc2n1C ZINC000895343507 724052395 /nfs/dbraw/zinc/05/23/95/724052395.db2.gz LHWWXNLXPAKBCC-BUXKBTBVSA-N 1 0 348.418 2.554 10 10 EFCERO Cc1cc(O)c(C[NH2+]CCN2C[C@H]3CCCCN3C2=O)cc1Cl ZINC000895346392 724054538 /nfs/dbraw/zinc/05/45/38/724054538.db2.gz RQBFKGJROZECPS-CQSZACIVSA-N 1 0 337.851 2.734 10 10 EFCERO COc1cc(C)cc(C[NH2+]C[C@H](n2cccn2)C(F)(F)F)c1O ZINC000895387751 724101399 /nfs/dbraw/zinc/10/13/99/724101399.db2.gz FCFLQYPQAGRJNC-ZDUSSCGKSA-N 1 0 329.322 2.799 10 10 EFCERO COc1cc(C)cc(C[NH2+]C2(c3cc(C)no3)CCOCC2)c1O ZINC000895415280 724124063 /nfs/dbraw/zinc/12/40/63/724124063.db2.gz SUNSFXYUPZOZKY-UHFFFAOYSA-N 1 0 332.400 2.801 10 10 EFCERO COC(=O)c1c(C[NH2+]C[C@H]2C[C@H](OC)C2)c2cc(F)ccc2n1C ZINC000895540454 724188585 /nfs/dbraw/zinc/18/85/85/724188585.db2.gz YBUGFQKKBBHSNY-AULYBMBSSA-N 1 0 334.391 2.619 10 10 EFCERO CCc1cccc(C[NH2+][C@]2(CO)CCc3c2cccc3OC)c1O ZINC000895633699 724227892 /nfs/dbraw/zinc/22/78/92/724227892.db2.gz GSCBYVPQKBEQHX-FQEVSTJZSA-N 1 0 327.424 2.887 10 10 EFCERO C[C@H]1CCC[N@H+](CCNC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000895740090 724289266 /nfs/dbraw/zinc/28/92/66/724289266.db2.gz NRVCGQJRAWFXOD-NSHDSACASA-N 1 0 334.441 2.774 10 10 EFCERO C[C@@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)[C@@H]1CC1(F)F ZINC000895813406 724328683 /nfs/dbraw/zinc/32/86/83/724328683.db2.gz KABDOENENFAMSU-WBMJQRKESA-N 1 0 337.414 2.522 10 10 EFCERO OC1(C2(C[NH2+]Cc3ccc(N4CCOCC4)cc3)CCC2)CCC1 ZINC000895870254 724356327 /nfs/dbraw/zinc/35/63/27/724356327.db2.gz MUIMRQXSWNQWQX-UHFFFAOYSA-N 1 0 330.472 2.698 10 10 EFCERO O=C([C@H]1CCC[N@@H+](Cc2c(O)ccc3ccncc32)C1)N1CCCC1 ZINC000732188380 727001889 /nfs/dbraw/zinc/00/18/89/727001889.db2.gz DJOXSLWGVVLGTD-INIZCTEOSA-N 1 0 339.439 2.775 10 10 EFCERO O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1[O-] ZINC000841085723 727211440 /nfs/dbraw/zinc/21/14/40/727211440.db2.gz BNIVYZANOSPJSL-SMDDNHRTSA-N 1 0 339.823 2.918 10 10 EFCERO O=C1CCCCN1[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000732798860 727234542 /nfs/dbraw/zinc/23/45/42/727234542.db2.gz PFXBMEKBDNYRGM-GOSISDBHSA-N 1 0 328.456 2.858 10 10 EFCERO COc1ccc(N2CCN(CC[NH2+][C@@H](C)C3(Cl)CC3)CC2)cc1 ZINC000924830516 727438377 /nfs/dbraw/zinc/43/83/77/727438377.db2.gz BESPZCFSDREFHC-HNNXBMFYSA-N 1 0 337.895 2.567 10 10 EFCERO COc1ccc(N2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCCC3)C2)cc1 ZINC000912292898 727689146 /nfs/dbraw/zinc/68/91/46/727689146.db2.gz PYWDGDDXEFPBFS-MRXNPFEDSA-N 1 0 345.487 2.655 10 10 EFCERO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCCCC[C@H]1CC)cc2=O ZINC000150737137 727717269 /nfs/dbraw/zinc/71/72/69/727717269.db2.gz BDWQFJDBSYYWHP-CQSZACIVSA-N 1 0 346.431 2.766 10 10 EFCERO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3cc4cc(O)c(O)cc4s3)C[C@@]2(C)C1 ZINC000913274640 727812289 /nfs/dbraw/zinc/81/22/89/727812289.db2.gz OHJWFBGEUKNSHN-HDICACEKSA-N 1 0 346.452 2.726 10 10 EFCERO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N1CCCC1 ZINC000156356301 727910999 /nfs/dbraw/zinc/91/09/99/727910999.db2.gz YKNMIQCLNNFGEN-UHFFFAOYSA-N 1 0 342.487 2.524 10 10 EFCERO Cc1cc(C)c(O)c(C[NH+]2CCN(C[C@H](O)c3ccccc3)CC2)c1 ZINC000164378912 727938148 /nfs/dbraw/zinc/93/81/48/727938148.db2.gz ZCBSRNUUAMAKPV-FQEVSTJZSA-N 1 0 340.467 2.860 10 10 EFCERO COc1cc(C)cc(C[NH+]2CCC(Nc3cccnn3)CC2)c1O ZINC000164403322 727944273 /nfs/dbraw/zinc/94/42/73/727944273.db2.gz UGXPNDRFOKKHBN-UHFFFAOYSA-N 1 0 328.416 2.576 10 10 EFCERO COc1cc(C)cc(C[NH+]2CCN(c3cc(C)ccn3)CC2)c1O ZINC000164521113 727957199 /nfs/dbraw/zinc/95/71/99/727957199.db2.gz GDTWDDPASLBWLX-UHFFFAOYSA-N 1 0 327.428 2.735 10 10 EFCERO c1ccc(N2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)cc1 ZINC000157525314 728157601 /nfs/dbraw/zinc/15/76/01/728157601.db2.gz QUKDDBLUFWDESG-UHFFFAOYSA-N 1 0 337.467 2.845 10 10 EFCERO COc1ccc(N2CCN(Cn3cnc(-c4ccccc4)n3)CC2)cc1 ZINC000172167151 728571700 /nfs/dbraw/zinc/57/17/00/728571700.db2.gz FQADKEQBPWJRDP-UHFFFAOYSA-N 1 0 349.438 2.733 10 10 EFCERO CCN(CC)c1ccc(CNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000172251479 728576301 /nfs/dbraw/zinc/57/63/01/728576301.db2.gz XSZCGXYLKQUFMV-LPHOPBHVSA-N 1 0 344.503 2.911 10 10 EFCERO