smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)C[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(N2CCCC2)cc1)[NH+](C)C ZINC001359769761 1064400285 /nfs/dbraw/zinc/40/02/85/1064400285.db2.gz UNJSYNFNQXPFJE-DQEYMECFSA-N 1 0 468.690 4.733 20 10 JJCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cnc(-c4ccc(C)cc4C)s3)cc2F)CC1 ZINC001435073303 1064495773 /nfs/dbraw/zinc/49/57/73/1064495773.db2.gz DWBNCOCHFOXUMG-UHFFFAOYSA-N 1 0 452.599 4.638 20 10 JJCDRO CCOC(=O)c1ccc(F)c(C)c1NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC001435653884 1064910364 /nfs/dbraw/zinc/91/03/64/1064910364.db2.gz FSBHWVPCJGIUFJ-UHFFFAOYSA-N 1 0 451.542 4.671 20 10 JJCDRO CC(C)C[C@H](CNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)C(=O)OC(C)(C)C ZINC001436951413 1065479391 /nfs/dbraw/zinc/47/93/91/1065479391.db2.gz HRHULOJPSJIIDZ-HXUWFJFHSA-N 1 0 455.643 4.528 20 10 JJCDRO CC[NH+]1CCN(Cc2ccc(CNC(=O)c3cc(C)n(-c4cc(C)cc(C)c4)c3C)cc2)CC1 ZINC001441366377 1066035418 /nfs/dbraw/zinc/03/54/18/1066035418.db2.gz OQPWRCMXZQIUSX-UHFFFAOYSA-N 1 0 458.650 4.778 20 10 JJCDRO CC[C@@H](Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC([NH2+]C(C)C)CC1)OC ZINC001545956372 1066288087 /nfs/dbraw/zinc/28/80/87/1066288087.db2.gz BAULUYJCZDZCQY-DEOSSOPVSA-N 1 0 464.658 4.744 20 10 JJCDRO Cc1cc(N(C)C)ccc1Cn1c(CC2CCCC2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001361098332 1066348706 /nfs/dbraw/zinc/34/87/06/1066348706.db2.gz RGJGYQVFYGHLGF-UHFFFAOYSA-N 1 0 452.691 4.744 20 10 JJCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1cccnc1Sc1ccccc1 ZINC001445888930 1066631192 /nfs/dbraw/zinc/63/11/92/1066631192.db2.gz XGLBPSQSUIIQFK-LJQANCHMSA-N 1 0 453.995 4.986 20 10 JJCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1cc(Cl)ccc1Br ZINC001445885287 1066631275 /nfs/dbraw/zinc/63/12/75/1066631275.db2.gz QQEJIWNNJWJYLX-OAHLLOKOSA-N 1 0 458.183 4.856 20 10 JJCDRO CC[NH+]1CCN(Cc2ccc(CNc3ccc([N+](=O)[O-])cc3C(=O)c3ccccc3)cc2)CC1 ZINC001458108513 1066978108 /nfs/dbraw/zinc/97/81/08/1066978108.db2.gz HCLHSBCKDZXJAL-UHFFFAOYSA-N 1 0 458.562 4.575 20 10 JJCDRO C[N@H+](Cc1ccccc1)C1(CNc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)CCOCC1 ZINC001458576749 1067090288 /nfs/dbraw/zinc/09/02/88/1067090288.db2.gz CNSOWTDWNQOIKT-UHFFFAOYSA-N 1 0 459.546 4.919 20 10 JJCDRO CN(C)c1ccc(CNC(=O)C[NH2+]C2(Cc3ccc(Br)cc3)CCCCC2)cc1 ZINC001459719472 1067395011 /nfs/dbraw/zinc/39/50/11/1067395011.db2.gz OPHPXXHHPXULLW-UHFFFAOYSA-N 1 0 458.444 4.667 20 10 JJCDRO Oc1ccccc1C[N@@H+](Cc1ccnc(-c2ccc(Br)cc2)n1)C[C@@H]1CCCO1 ZINC001459733118 1067398997 /nfs/dbraw/zinc/39/89/97/1067398997.db2.gz DGLHCJCBBHFPMU-NRFANRHFSA-N 1 0 454.368 4.793 20 10 JJCDRO COc1cc(NC(=O)C[N@H+](Cc2ccccc2O)[C@@H](C)c2ccccc2)cc(OC)c1OC ZINC001459779084 1067417731 /nfs/dbraw/zinc/41/77/31/1067417731.db2.gz KYDOIXHUXQRFNX-SFHVURJKSA-N 1 0 450.535 4.620 20 10 JJCDRO CC(C)Oc1cccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 ZINC001459846006 1067452057 /nfs/dbraw/zinc/45/20/57/1067452057.db2.gz DZDWWRRWZHGAQR-QZTJIDSGSA-N 1 0 456.542 4.927 20 10 JJCDRO O=C1CCCN1C[C@H]([NH2+]Cc1ccc(N2CCCCC2)c(Br)c1)c1ccccc1 ZINC001461058611 1067772012 /nfs/dbraw/zinc/77/20/12/1067772012.db2.gz XYGPQXYTJMLBDV-QFIPXVFZSA-N 1 0 456.428 4.893 20 10 JJCDRO CCCOc1ccc(O[C@H]2CCCC[C@H]2[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)cc1 ZINC001461189913 1067796086 /nfs/dbraw/zinc/79/60/86/1067796086.db2.gz DYJUNMOKFXTUHJ-VPUSJEBWSA-N 1 0 455.618 4.846 20 10 JJCDRO Cn1c(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nc2cc(C(F)(F)F)ccc21 ZINC001461265544 1067813958 /nfs/dbraw/zinc/81/39/58/1067813958.db2.gz NFNPFWFKJCCTAY-OAHLLOKOSA-N 1 0 454.443 4.952 20 10 JJCDRO CC(C)(C)OC(=O)N1CCCc2c(C[NH2+]Cc3ccc(N4CCC(O)CC4)cc3)cccc21 ZINC001461554236 1067887255 /nfs/dbraw/zinc/88/72/55/1067887255.db2.gz PESXSGFUPVZUBM-UHFFFAOYSA-N 1 0 451.611 4.625 20 10 JJCDRO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]Cc2cc(F)c(N(C)C)cc2F)cc1 ZINC001461627103 1067904857 /nfs/dbraw/zinc/90/48/57/1067904857.db2.gz MFPVGFOALIKZDJ-REWPJTCUSA-N 1 0 475.580 4.922 20 10 JJCDRO COc1ccc(N2CCC[N@H+](Cc3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)CC2)cc1 ZINC001461881765 1067953604 /nfs/dbraw/zinc/95/36/04/1067953604.db2.gz CKQCEOFQRVOYOW-UHFFFAOYSA-N 1 0 451.611 4.701 20 10 JJCDRO CN(C)c1ccc(C[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)c(C(F)(F)F)c1 ZINC001461929577 1067962831 /nfs/dbraw/zinc/96/28/31/1067962831.db2.gz WXOXSFVKDDCGRK-UHFFFAOYSA-N 1 0 455.908 4.981 20 10 JJCDRO CCOc1ccc(Br)cc1C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC001461947706 1067966813 /nfs/dbraw/zinc/96/68/13/1067966813.db2.gz CIYSCSVMFGVURU-UHFFFAOYSA-N 1 0 459.428 4.974 20 10 JJCDRO CN(C)c1ccc([C@H](CNC(=O)C(C)(C)COc2cc(Cl)cc(Cl)c2)[NH+](C)C)cc1 ZINC001463277742 1068342148 /nfs/dbraw/zinc/34/21/48/1068342148.db2.gz BSTMMBRWNNMGTQ-NRFANRHFSA-N 1 0 452.426 4.884 20 10 JJCDRO CN(C)c1ccc([C@H](CNC(=O)c2cc(-c3cccc(C(F)(F)F)c3)ccn2)[NH+](C)C)cc1 ZINC001463286985 1068345143 /nfs/dbraw/zinc/34/51/43/1068345143.db2.gz VYRYDMBWANQUGD-QHCPKHFHSA-N 1 0 456.512 4.866 20 10 JJCDRO c1ccc(CN2CCc3ncnc(N4CC5(CC[NH2+]CC5)c5c4cccc5-c4cccnc4)c3C2)cc1 ZINC001164903156 721568375 /nfs/dbraw/zinc/56/83/75/721568375.db2.gz BBOJYSUGHAAGLM-UHFFFAOYSA-N 1 0 488.639 4.870 20 10 JJCDRO CC[NH+]1CCN(c2ccc(CNC(=O)/C=C/c3cccc(OC4CCCC4)c3)cc2F)CC1 ZINC001359919800 1064644214 /nfs/dbraw/zinc/64/42/14/1064644214.db2.gz BZHSGRJQRWAUMC-ACCUITESSA-N 1 0 451.586 4.619 20 10 JJCDRO CCOc1ccc(Cl)cc1CCNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC001435583848 1064848732 /nfs/dbraw/zinc/84/87/32/1064848732.db2.gz HXXCAEPMOIPGIK-UHFFFAOYSA-N 1 0 454.014 4.819 20 10 JJCDRO CC(C)C[C@@H](CNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)C(=O)OC(C)(C)C ZINC001436951404 1065479346 /nfs/dbraw/zinc/47/93/46/1065479346.db2.gz HRHULOJPSJIIDZ-FQEVSTJZSA-N 1 0 455.643 4.528 20 10 JJCDRO Cc1cc(CC(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)c(C)n1-c1ccc(Cl)cc1 ZINC001442176511 1066099118 /nfs/dbraw/zinc/09/91/18/1066099118.db2.gz YDTGUHXDBCHYMH-UHFFFAOYSA-N 1 0 451.014 4.676 20 10 JJCDRO CC[NH+](CC)[C@H](CNC(=O)c1cc(C)n(-c2ccc(Br)cn2)c1C)c1ccco1 ZINC001442484361 1066130702 /nfs/dbraw/zinc/13/07/02/1066130702.db2.gz BTJRASJGERKPRU-LJQANCHMSA-N 1 0 459.388 4.658 20 10 JJCDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2sccc2-n2c(C)ccc2C)CC1 ZINC001442542875 1066134685 /nfs/dbraw/zinc/13/46/85/1066134685.db2.gz GPXCGUVDXKELRE-IBGZPJMESA-N 1 0 454.615 4.928 20 10 JJCDRO Cc1cc(-c2nnc(N(C)C[C@H]3CCCCO3)n2CC[N@@H+](C)C(C)C)c(C)n1-c1ccccc1 ZINC001361045844 1066272462 /nfs/dbraw/zinc/27/24/62/1066272462.db2.gz LOEQNOINIQKZGX-XMMPIXPASA-N 1 0 464.658 4.698 20 10 JJCDRO Cc1cc(-c2nnc(N3CCOC(C)(C)[C@@H]3C)n2CC(C)(C)C[NH+](C)C)c(C)n1-c1ccccc1 ZINC001361049600 1066282605 /nfs/dbraw/zinc/28/26/05/1066282605.db2.gz KAZLSTFAEJLPIT-QFIPXVFZSA-N 1 0 478.685 4.944 20 10 JJCDRO Cc1cc(-c2nnc(N3CCCO[C@@H](C)C3)n2CCC[N@@H+](C)C(C)C)c(C)n1-c1ccccc1 ZINC001361049735 1066283230 /nfs/dbraw/zinc/28/32/30/1066283230.db2.gz OEWNFVUOPNVIOZ-QFIPXVFZSA-N 1 0 464.658 4.698 20 10 JJCDRO Cc1cc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCCCCO)c(C)n1-c1ccccc1 ZINC001361049906 1066283847 /nfs/dbraw/zinc/28/38/47/1066283847.db2.gz QRMRJNSCHTUJIL-UHFFFAOYSA-N 1 0 478.685 4.826 20 10 JJCDRO Cc1cc(-c2nnc(N3CCC[C@H](C(C)C)C3)n2CCOCC[NH+](C)C)c(C)n1-c1ccccc1 ZINC001361050303 1066285212 /nfs/dbraw/zinc/28/52/12/1066285212.db2.gz XBAUFTJEVIIZQE-DEOSSOPVSA-N 1 0 478.685 4.803 20 10 JJCDRO CC[C@H](Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[N@@H+](C(C)C)CC1)OC ZINC001545956989 1066295035 /nfs/dbraw/zinc/29/50/35/1066295035.db2.gz MMXZTEVVYHWTDI-XMMPIXPASA-N 1 0 464.658 4.698 20 10 JJCDRO Cc1cc(C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)c(C)n1-c1ccc(Br)cc1 ZINC001455929341 1066452977 /nfs/dbraw/zinc/45/29/77/1066452977.db2.gz FIQMHSVNSHGANH-QGZVFWFLSA-N 1 0 453.384 4.603 20 10 JJCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CCc3ccc(-c4ccccc4F)o3)cc2F)CC1 ZINC001456131370 1066517823 /nfs/dbraw/zinc/51/78/23/1066517823.db2.gz SOYDUBZIYJQSSU-UHFFFAOYSA-N 1 0 453.533 4.616 20 10 JJCDRO CC(C)(C)c1ccc([C@H](O)CCC(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)cc1 ZINC001445889889 1066631780 /nfs/dbraw/zinc/63/17/80/1066631780.db2.gz ZYLUJXGEHPGJGD-XZOQPEGZSA-N 1 0 459.030 4.938 20 10 JJCDRO COC(=O)c1c(Cl)ccc(C)c1NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC001457904366 1066939225 /nfs/dbraw/zinc/93/92/25/1066939225.db2.gz KPMRURJRLLSWDE-UHFFFAOYSA-N 1 0 453.970 4.795 20 10 JJCDRO CC(C)Oc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 ZINC001459868798 1067465772 /nfs/dbraw/zinc/46/57/72/1067465772.db2.gz PUWVPOZYMLJKFB-ZWKOTPCHSA-N 1 0 456.542 4.927 20 10 JJCDRO CC(C)(C)OC(=O)N1CCc2c(C[NH2+]Cc3ccc(N4CCSCC4)cc3)cccc2C1 ZINC001461056015 1067771373 /nfs/dbraw/zinc/77/13/73/1067771373.db2.gz GZZUTDCRZYZSBY-UHFFFAOYSA-N 1 0 453.652 4.823 20 10 JJCDRO [O-]c1c(Br)cc(Cl)cc1C[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC001461062288 1067773491 /nfs/dbraw/zinc/77/34/91/1067773491.db2.gz OGWQNSSKGHMIGY-UHFFFAOYSA-N 1 0 452.824 4.500 20 10 JJCDRO CC1(C)Oc2ccsc2[C@@H]([NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)[C@@H]1O ZINC001461566855 1067890191 /nfs/dbraw/zinc/89/01/91/1067890191.db2.gz WBYDYTAWKSSEHK-QUCCMNQESA-N 1 0 451.430 4.864 20 10 JJCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C[C@H](C)c3ccccc3C(F)(F)F)cc2F)CC1 ZINC001435073293 1064495690 /nfs/dbraw/zinc/49/56/90/1064495690.db2.gz DVRJVCRHADACCO-KRWDZBQOSA-N 1 0 451.508 4.796 20 10 JJCDRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC001435574743 1064843530 /nfs/dbraw/zinc/84/35/30/1064843530.db2.gz XZRFAVAXSOIUKP-IBGZPJMESA-N 1 0 459.556 4.732 20 10 JJCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3c(C)onc3-c3ccccc3Cl)cc2F)CC1 ZINC001360091194 1064958461 /nfs/dbraw/zinc/95/84/61/1064958461.db2.gz IFHYJHIPOURKFB-UHFFFAOYSA-N 1 0 456.949 4.514 20 10 JJCDRO CN(C)c1ccc([C@@H](CNC(=O)COc2ccc(-c3ccccc3)cc2Cl)[NH+](C)C)cc1 ZINC001439959430 1065896568 /nfs/dbraw/zinc/89/65/68/1065896568.db2.gz FGGNAJLZNLGTPR-XMMPIXPASA-N 1 0 451.998 4.871 20 10 JJCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)Cc2ccccc2Br)C1 ZINC001440341733 1065931413 /nfs/dbraw/zinc/93/14/13/1065931413.db2.gz VZZGUAXEDNEZFS-UHFFFAOYSA-N 1 0 454.412 4.829 20 10 JJCDRO CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)cc1 ZINC001440673500 1065961882 /nfs/dbraw/zinc/96/18/82/1065961882.db2.gz JMEOBRRVNXFVAV-WUFINQPMSA-N 1 0 456.634 4.802 20 10 JJCDRO Cc1cc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC(F)(F)F)c(C)n1-c1ccccc1 ZINC001361050239 1066284392 /nfs/dbraw/zinc/28/43/92/1066284392.db2.gz UYTKYHHMNHGINP-UHFFFAOYSA-N 1 0 460.548 4.835 20 10 JJCDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1 ZINC001445134035 1066540152 /nfs/dbraw/zinc/54/01/52/1066540152.db2.gz QJCIMQAXKWYTPJ-UHFFFAOYSA-N 1 0 451.533 4.951 20 10 JJCDRO CCC(O)(CC)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001546022363 1067074658 /nfs/dbraw/zinc/07/46/58/1067074658.db2.gz DBFYKCWDXYHDQC-UHFFFAOYSA-N 1 0 478.685 4.682 20 10 JJCDRO CCC(CC)[C@@H](Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCO[C@@H](C)C1)[NH+](C)C ZINC001545805009 1067117475 /nfs/dbraw/zinc/11/74/75/1067117475.db2.gz GIKYRCFQIQAPPM-HFZDXXHNSA-N 1 0 478.685 4.944 20 10 JJCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](C)c1ccccc1-c1ccc(Cl)cc1)cc2=O ZINC001459842308 1067449538 /nfs/dbraw/zinc/44/95/38/1067449538.db2.gz GWXVQLSVRYVTKY-OAHLLOKOSA-N 1 0 450.926 4.783 20 10 JJCDRO CC(C)Oc1cccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 ZINC001459846011 1067452091 /nfs/dbraw/zinc/45/20/91/1067452091.db2.gz DZDWWRRWZHGAQR-ROUUACIJSA-N 1 0 456.542 4.927 20 10 JJCDRO O=C(C[NH2+][C@@H](CC1CCCCC1)c1ccccc1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001459877750 1067469774 /nfs/dbraw/zinc/46/97/74/1067469774.db2.gz PHDUOVHPJDURFE-VWLOTQADSA-N 1 0 453.602 4.580 20 10 JJCDRO CCOC(=O)c1c(NC(=O)C[N@H+](CCOC)[C@H]2CC[C@@H](C)C2)sc(C)c1-c1ccccc1 ZINC001460041905 1067537017 /nfs/dbraw/zinc/53/70/17/1067537017.db2.gz YAIUHHXYTUYITA-XLIONFOSSA-N 1 0 458.624 4.976 20 10 JJCDRO CCOC(=O)c1c(NC(=O)C[N@H+](CCOC)[C@@H]2CC[C@H](C)C2)sc(C)c1-c1ccccc1 ZINC001460041895 1067537052 /nfs/dbraw/zinc/53/70/52/1067537052.db2.gz YAIUHHXYTUYITA-FXAWDEMLSA-N 1 0 458.624 4.976 20 10 JJCDRO CN(CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc(-c2nccs2)cc1 ZINC001460211638 1067580417 /nfs/dbraw/zinc/58/04/17/1067580417.db2.gz YILLYTXYOXBEHX-QFIPXVFZSA-N 1 0 455.027 4.853 20 10 JJCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]C/C=C\c3ccc(OCc4ccccc4)cc3)cc2)C1 ZINC001461086653 1067778768 /nfs/dbraw/zinc/77/87/68/1067778768.db2.gz PNLHREGNNQBGDL-OXNRJDHLSA-N 1 0 455.602 4.770 20 10 JJCDRO CCCOc1ccc(O[C@H]2CCCC[C@@H]2[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)cc1 ZINC001461189912 1067796068 /nfs/dbraw/zinc/79/60/68/1067796068.db2.gz DYJUNMOKFXTUHJ-BDYUSTAISA-N 1 0 455.618 4.846 20 10 JJCDRO COc1cc(C[NH2+][C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)c(O)c(C(C)(C)C)c1 ZINC001461251533 1067809814 /nfs/dbraw/zinc/80/98/14/1067809814.db2.gz GQHPDBQFQBDSJJ-XMMPIXPASA-N 1 0 453.604 4.981 20 10 JJCDRO Cc1cc(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)cc(C)c1OCc1ccccn1 ZINC001461563636 1067889431 /nfs/dbraw/zinc/88/94/31/1067889431.db2.gz CTTUVRMZMRUGHQ-UHFFFAOYSA-N 1 0 453.533 4.682 20 10 JJCDRO COc1ccc(CN2CC[C@H]2C[NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)cc1 ZINC001461643829 1067908426 /nfs/dbraw/zinc/90/84/26/1067908426.db2.gz RBGQQICSMOTSRU-NRFANRHFSA-N 1 0 458.444 4.812 20 10 JJCDRO COC(=O)c1c(C[N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c2cc(F)ccc2n1C ZINC001461915284 1067960628 /nfs/dbraw/zinc/96/06/28/1067960628.db2.gz YWARSYLCDUBVLF-GFCCVEGCSA-N 1 0 455.477 4.959 20 10 JJCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C2)cc1 ZINC001462420114 1068070721 /nfs/dbraw/zinc/07/07/21/1068070721.db2.gz IYYWRBQPYVFRIM-GOEBONIOSA-N 1 0 455.908 4.953 20 10 JJCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3ccc(-c4ccc(OC(F)F)cc4)s3)cc2)CC1 ZINC001462469680 1068081053 /nfs/dbraw/zinc/08/10/53/1068081053.db2.gz SMGWKEURNCTCFD-UHFFFAOYSA-N 1 0 457.546 4.698 20 10 JJCDRO Cc1cc(C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)c(C)n1-c1ccc(Br)cn1 ZINC001464720688 1068837835 /nfs/dbraw/zinc/83/78/35/1068837835.db2.gz AQTPUEQWPYVBPE-UHFFFAOYSA-N 1 0 455.400 4.585 20 10 JJCDRO c1ccc(CN2CCc3c(ncnc3N3CC4(CC[NH2+]CC4)c4c3cccc4-c3cccnc3)C2)cc1 ZINC001164905387 721568341 /nfs/dbraw/zinc/56/83/41/721568341.db2.gz HBTFDRQCXLMHPP-UHFFFAOYSA-N 1 0 488.639 4.870 20 10 JJCDRO CC(C)C[C@H](Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(N2CCCC2)cc1)[NH+](C)C ZINC001359769762 1064400197 /nfs/dbraw/zinc/40/01/97/1064400197.db2.gz UNJSYNFNQXPFJE-JWQCQUIFSA-N 1 0 468.690 4.733 20 10 JJCDRO CC[NH+]1CCN(c2ccc(CNC(=O)/C=C\c3cccc(OC4CCCC4)c3)cc2F)CC1 ZINC001359919801 1064644166 /nfs/dbraw/zinc/64/41/66/1064644166.db2.gz BZHSGRJQRWAUMC-QBFSEMIESA-N 1 0 451.586 4.619 20 10 JJCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(C(F)(F)C(F)(F)F)cc3)cc2F)CC1 ZINC001359920283 1064644290 /nfs/dbraw/zinc/64/42/90/1064644290.db2.gz OQULJMNBTADREC-UHFFFAOYSA-N 1 0 459.434 4.552 20 10 JJCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(Cc3ccccc3)Cc3ccccc3)cc2F)CC1 ZINC001359920510 1064645142 /nfs/dbraw/zinc/64/51/42/1064645142.db2.gz YKTYSNDQZWXXDJ-UHFFFAOYSA-N 1 0 459.609 4.685 20 10 JJCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)Cc2nc(C(F)(F)F)cs2)C1 ZINC001435460401 1064769476 /nfs/dbraw/zinc/76/94/76/1064769476.db2.gz RBCUGZVFOLTLGF-UHFFFAOYSA-N 1 0 450.530 4.542 20 10 JJCDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC001435574747 1064843613 /nfs/dbraw/zinc/84/36/13/1064843613.db2.gz XZRFAVAXSOIUKP-LJQANCHMSA-N 1 0 459.556 4.732 20 10 JJCDRO CC(C)[N@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(N2CCCC2)cc1 ZINC001360106845 1064988633 /nfs/dbraw/zinc/98/86/33/1064988633.db2.gz TVXAQOACCMAUFQ-UHFFFAOYSA-N 1 0 468.049 4.570 20 10 JJCDRO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001438887776 1065762582 /nfs/dbraw/zinc/76/25/82/1065762582.db2.gz RYWIXKOPNJZHPO-UHFFFAOYSA-N 1 0 459.377 4.639 20 10 JJCDRO C[C@@H](CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccc(F)c(Br)c1 ZINC001439960499 1065897564 /nfs/dbraw/zinc/89/75/64/1065897564.db2.gz LXXSXUPKCVRLIQ-BTYIYWSLSA-N 1 0 450.396 4.567 20 10 JJCDRO O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1cc(F)cc(Br)c1F ZINC001442189743 1066100638 /nfs/dbraw/zinc/10/06/38/1066100638.db2.gz LFVLKDUYJVJQFY-UHFFFAOYSA-N 1 0 450.327 4.512 20 10 JJCDRO Cc1cc(-c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CC[N@@H+](C)C(C)C)c(C)n1-c1ccccc1 ZINC001361048860 1066279118 /nfs/dbraw/zinc/27/91/18/1066279118.db2.gz LIOYGYFEOUJEBK-OAQYLSRUSA-N 1 0 464.658 4.697 20 10 JJCDRO Cc1cc(N(C)C)ccc1Cn1c(C(C)C)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001361096023 1066346472 /nfs/dbraw/zinc/34/64/72/1066346472.db2.gz TUSPJAOSOLFDNT-QHCPKHFHSA-N 1 0 452.691 4.773 20 10 JJCDRO Cc1cc(N(C)C)ccc1Cn1c(Cc2ccsc2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001361098119 1066348824 /nfs/dbraw/zinc/34/88/24/1066348824.db2.gz OJLHFSIEGTWROM-UHFFFAOYSA-N 1 0 480.726 4.910 20 10 JJCDRO Cc1cc(C(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)c(C)n1-c1cccc(Br)c1 ZINC001455256844 1066375687 /nfs/dbraw/zinc/37/56/87/1066375687.db2.gz VYSDAXGEQYKYSO-QGZVFWFLSA-N 1 0 453.384 4.603 20 10 JJCDRO Nc1c(F)cc(Cl)cc1C(=O)Nc1cccc(N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC001446822489 1066745132 /nfs/dbraw/zinc/74/51/32/1066745132.db2.gz GGKSRZXICCHCTQ-UHFFFAOYSA-N 1 0 452.961 4.678 20 10 JJCDRO Cc1cc(C(=O)N2CC([N@H+](C)Cc3ccccc3)C2)c(C)n1-c1ccc(Br)cc1 ZINC001449331226 1067000288 /nfs/dbraw/zinc/00/02/88/1067000288.db2.gz MDJOBUPLWUUVOS-UHFFFAOYSA-N 1 0 452.396 4.813 20 10 JJCDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C)C2 ZINC001459558539 1067350743 /nfs/dbraw/zinc/35/07/43/1067350743.db2.gz WLZYUCLVNVRCCR-DLBZAZTESA-N 1 0 458.624 4.994 20 10 JJCDRO Oc1ccccc1C[N@@H+](Cc1ccnc(-c2ccc(Br)cc2)n1)C[C@H]1CCCO1 ZINC001459733120 1067398963 /nfs/dbraw/zinc/39/89/63/1067398963.db2.gz DGLHCJCBBHFPMU-OAQYLSRUSA-N 1 0 454.368 4.793 20 10 JJCDRO CCOC(=O)c1c(NC(=O)C[N@H+](CCOC)[C@@H]2CC[C@@H](C)C2)sc(C)c1-c1ccccc1 ZINC001460041908 1067536889 /nfs/dbraw/zinc/53/68/89/1067536889.db2.gz YAIUHHXYTUYITA-YLJYHZDGSA-N 1 0 458.624 4.976 20 10 JJCDRO CCOC(=O)c1c(NC(=O)C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)sc(C)c1-c1ccccc1 ZINC001460620567 1067675211 /nfs/dbraw/zinc/67/52/11/1067675211.db2.gz MSSNUPSPVZKQOD-YKSBVNFPSA-N 1 0 464.587 4.959 20 10 JJCDRO COc1ccccc1[C@@H](C[NH2+]Cc1c(O)cccc1Br)NC(=O)OC(C)(C)C ZINC001461065486 1067774716 /nfs/dbraw/zinc/77/47/16/1067774716.db2.gz HNNSRAQCXHIKPU-QGZVFWFLSA-N 1 0 451.361 4.519 20 10 JJCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]C/C=C/c3ccc(OCc4ccccc4)cc3)cc2)C1 ZINC001461086650 1067778828 /nfs/dbraw/zinc/77/88/28/1067778828.db2.gz PNLHREGNNQBGDL-GAAFDJBNSA-N 1 0 455.602 4.770 20 10 JJCDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)cc1 ZINC001461098706 1067781740 /nfs/dbraw/zinc/78/17/40/1067781740.db2.gz XSHXPILPCHEFFR-FQEVSTJZSA-N 1 0 450.526 4.933 20 10 JJCDRO COc1ccc(C[NH2+]CCCOc2ncc(C(F)(F)F)cc2Cl)cc1Cn1cccn1 ZINC001461416403 1067850814 /nfs/dbraw/zinc/85/08/14/1067850814.db2.gz WVRYDPZTQJAPTL-UHFFFAOYSA-N 1 0 454.880 4.566 20 10 JJCDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001461568323 1067890861 /nfs/dbraw/zinc/89/08/61/1067890861.db2.gz ZIGUTSLMMHVRNP-PWRODBHTSA-N 1 0 458.603 4.710 20 10 JJCDRO O=C(NCCc1cccs1)C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC001461935111 1067964145 /nfs/dbraw/zinc/96/41/45/1067964145.db2.gz DGXUDRPTTHPADE-UHFFFAOYSA-N 1 0 450.604 4.604 20 10 JJCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C2)cc1 ZINC001462420118 1068070965 /nfs/dbraw/zinc/07/09/65/1068070965.db2.gz IYYWRBQPYVFRIM-HOCLYGCPSA-N 1 0 455.908 4.953 20 10 JJCDRO Cc1nc(CSc2ccccc2C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cs1 ZINC001463278586 1068342701 /nfs/dbraw/zinc/34/27/01/1068342701.db2.gz FPRDEZCNBCRNEV-JOCHJYFZSA-N 1 0 454.665 4.843 20 10 JJCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cc3ccccc3n2Cc2ccccc2F)[NH+](C)C)cc1 ZINC001439960045 1065897588 /nfs/dbraw/zinc/89/75/88/1065897588.db2.gz JOPCGOICECAVSZ-HHHXNRCGSA-N 1 0 458.581 4.927 20 10 JJCDRO Cc1cc(-c2nnc(N(C)CCCc3ccccn3)n2C[C@H](C)[NH+](C)C)c(C)n1-c1ccccc1 ZINC001361048882 1066279648 /nfs/dbraw/zinc/27/96/48/1066279648.db2.gz MAAISMRBJZMDPT-QFIPXVFZSA-N 1 0 471.653 4.767 20 10 JJCDRO COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC001443636969 1066341844 /nfs/dbraw/zinc/34/18/44/1066341844.db2.gz SPLCGYGTMCLCEE-XMMPIXPASA-N 1 0 458.606 4.602 20 10 JJCDRO COc1ccc2c(c1)c1c(n2CC(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)CCCC1 ZINC001443847743 1066375790 /nfs/dbraw/zinc/37/57/90/1066375790.db2.gz KPXVAWHXTBTIOX-UHFFFAOYSA-N 1 0 455.986 4.761 20 10 JJCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc(OCc4ccccc4)cs3)cc2F)CC1 ZINC001456130694 1066517314 /nfs/dbraw/zinc/51/73/14/1066517314.db2.gz QGEICDUGOKKYAK-UHFFFAOYSA-N 1 0 453.583 4.538 20 10 JJCDRO CC(C)(C)c1ccc([C@@H](O)CCC(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)cc1 ZINC001445889883 1066631851 /nfs/dbraw/zinc/63/18/51/1066631851.db2.gz ZYLUJXGEHPGJGD-PKTZIBPZSA-N 1 0 459.030 4.938 20 10 JJCDRO Cc1nnc(N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1CCCSc1nccs1 ZINC001492803451 1066952947 /nfs/dbraw/zinc/95/29/47/1066952947.db2.gz BEOXIBJAXTZDQA-UHFFFAOYSA-N 1 0 456.685 4.574 20 10 JJCDRO C/C(=C\C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1cccc(C(F)(F)F)c1 ZINC001458014954 1066957130 /nfs/dbraw/zinc/95/71/30/1066957130.db2.gz BBUZPUWAZDXHGF-XDJHFCHBSA-N 1 0 457.540 4.957 20 10 JJCDRO C[C@]1(c2ccccc2)C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)NCc1cccc(Br)c1O ZINC001448964193 1066974056 /nfs/dbraw/zinc/97/40/56/1066974056.db2.gz QGXFGEMOLVOWCQ-ATIYNZHBSA-N 1 0 479.418 4.861 20 10 JJCDRO CCC[N@H+](CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)[C@@H](CC)c1ccccc1 ZINC001459369152 1067305002 /nfs/dbraw/zinc/30/50/02/1067305002.db2.gz MGCQMEWGRPEOJL-BKSPAHHJSA-N 1 0 455.618 4.919 20 10 JJCDRO Oc1ccccc1C[N@@H+](C[C@@H](O)COc1ccc(Cl)cc1Br)C1CCCC1 ZINC001459465543 1067331402 /nfs/dbraw/zinc/33/14/02/1067331402.db2.gz HXIWJOIITNKSIJ-GOSISDBHSA-N 1 0 454.792 4.993 20 10 JJCDRO CC(C)Oc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 ZINC001459868795 1067465827 /nfs/dbraw/zinc/46/58/27/1067465827.db2.gz PUWVPOZYMLJKFB-ROUUACIJSA-N 1 0 456.542 4.927 20 10 JJCDRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC001461057463 1067771739 /nfs/dbraw/zinc/77/17/39/1067771739.db2.gz STLONACKPBTBMZ-UHFFFAOYSA-N 1 0 457.441 4.786 20 10 JJCDRO CC(C)Oc1cc(Cl)c(C[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1Cl ZINC001461086030 1067778695 /nfs/dbraw/zinc/77/86/95/1067778695.db2.gz KLTKBAAOUYZGQA-KRWDZBQOSA-N 1 0 450.410 4.772 20 10 JJCDRO CC(C)Oc1cc(Cl)c(C[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1Cl ZINC001461086037 1067778706 /nfs/dbraw/zinc/77/87/06/1067778706.db2.gz KLTKBAAOUYZGQA-QGZVFWFLSA-N 1 0 450.410 4.772 20 10 JJCDRO CN(C)c1ccc([C@H](C[NH2+]C2CCN(Cc3ccccc3)CC2)NC(=O)OC(C)(C)C)cc1 ZINC001461402833 1067847134 /nfs/dbraw/zinc/84/71/34/1067847134.db2.gz YXNDQYCADASYEE-VWLOTQADSA-N 1 0 452.643 4.573 20 10 JJCDRO CC(C)(C)OC(=O)N1CCCc2c(C[NH2+]Cc3ccc(N4CCOCC4)c(F)c3)cccc21 ZINC001461554173 1067887018 /nfs/dbraw/zinc/88/70/18/1067887018.db2.gz ONXDDLWFEBZFGI-UHFFFAOYSA-N 1 0 455.574 4.640 20 10 JJCDRO CC(C)(C)c1ccc(-c2ccc(C[NH2+]Cc3ccc(N4CCS(=O)(=O)CC4)cc3)o2)cc1 ZINC001461620692 1067902968 /nfs/dbraw/zinc/90/29/68/1067902968.db2.gz WSHMBFDQGCNWHQ-UHFFFAOYSA-N 1 0 452.620 4.769 20 10 JJCDRO Cc1cc(CC[NH2+]Cc2cn(-c3ccccc3Br)nn2)c(C)n1-c1ccccc1 ZINC001461666998 1067914216 /nfs/dbraw/zinc/91/42/16/1067914216.db2.gz IZQNQEHFFTXVKL-UHFFFAOYSA-N 1 0 450.384 4.770 20 10 JJCDRO Cc1cc(Br)c([O-])c(C[NH+]2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)c1 ZINC001461870525 1067951328 /nfs/dbraw/zinc/95/13/28/1067951328.db2.gz RGYXIPCSDSKQAA-UHFFFAOYSA-N 1 0 457.412 4.866 20 10 JJCDRO COC(=O)c1c(C[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c2cc(F)ccc2n1C ZINC001461915288 1067960688 /nfs/dbraw/zinc/96/06/88/1067960688.db2.gz YWARSYLCDUBVLF-LBPRGKRZSA-N 1 0 455.477 4.959 20 10 JJCDRO O=C(N[C@H]1C[C@H]1C1CC[NH+](Cc2c(O)cccc2Br)CC1)OCc1ccccc1 ZINC001462295444 1068045861 /nfs/dbraw/zinc/04/58/61/1068045861.db2.gz LTEHQOPGLOUEIZ-RXVVDRJESA-N 1 0 459.384 4.682 20 10 JJCDRO CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]Cc2cc(C)cc(OC)c2O)cc1 ZINC001462419985 1068070982 /nfs/dbraw/zinc/07/09/82/1068070982.db2.gz XGUUQCUWCAWBAS-GOTSBHOMSA-N 1 0 470.610 4.991 20 10 JJCDRO COc1ccc([C@@H]2C[N@H+](Cc3c(O)cccc3Br)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001462519382 1068089950 /nfs/dbraw/zinc/08/99/50/1068089950.db2.gz NVQBGCJJKOLTIK-FXAWDEMLSA-N 1 0 477.399 4.656 20 10 JJCDRO Cc1cc(C(=O)NCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)c(C)n1-c1cc(C)cc(C)c1 ZINC001464095244 1068613212 /nfs/dbraw/zinc/61/32/12/1068613212.db2.gz DOOAEOJWIJIKRJ-NDEPHWFRSA-N 1 0 458.650 4.820 20 10 JJCDRO CC(C)C[C@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(N2CCCC2)cc1)[NH+](C)C ZINC001359769764 1064400153 /nfs/dbraw/zinc/40/01/53/1064400153.db2.gz UNJSYNFNQXPFJE-RPBOFIJWSA-N 1 0 468.690 4.733 20 10 JJCDRO CC(C)Cc1nnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001359832895 1064517179 /nfs/dbraw/zinc/51/71/79/1064517179.db2.gz QPLTZHQNKBOCDC-HSZRJFAPSA-N 1 0 470.681 4.822 20 10 JJCDRO CC(C)Cc1nnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001359832896 1064517455 /nfs/dbraw/zinc/51/74/55/1064517455.db2.gz QPLTZHQNKBOCDC-QHCPKHFHSA-N 1 0 470.681 4.822 20 10 JJCDRO CC(C)[NH2+]C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCSc2nccs2)CC1 ZINC001360308160 1065143123 /nfs/dbraw/zinc/14/31/23/1065143123.db2.gz CNBQOQNVCIGTOG-UHFFFAOYSA-N 1 0 474.675 4.614 20 10 JJCDRO C[C@H]1CCCN(c2ccc(CNC(=O)CCc3ccc(OCC[NH+](C)C)cc3)cc2Cl)C1 ZINC001436049559 1065144093 /nfs/dbraw/zinc/14/40/93/1065144093.db2.gz WHYWFGFJVNUKSP-FQEVSTJZSA-N 1 0 458.046 4.766 20 10 JJCDRO C[C@@H]1CCCN(c2ccc(CNC(=O)CCc3ccc(OCC[NH+](C)C)cc3)cc2Cl)C1 ZINC001436049561 1065144245 /nfs/dbraw/zinc/14/42/45/1065144245.db2.gz WHYWFGFJVNUKSP-HXUWFJFHSA-N 1 0 458.046 4.766 20 10 JJCDRO Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C)n1-c1ccc(Br)cc1 ZINC001440702601 1065967993 /nfs/dbraw/zinc/96/79/93/1065967993.db2.gz DWLCYYYTWTXCRP-NRFANRHFSA-N 1 0 452.396 4.861 20 10 JJCDRO Cc1cc(-c2nnc(N(C)Cc3cnn(C)c3)n2C[C@@H](CC(C)C)[NH+](C)C)c(C)n1-c1ccccc1 ZINC001361045809 1066271684 /nfs/dbraw/zinc/27/16/84/1066271684.db2.gz KVYXLCYGMSSLKA-RUZDIDTESA-N 1 0 488.684 4.699 20 10 JJCDRO Cc1cc(-c2nnc(N3CCO[C@@H](C(C)C)C3)n2CCC[N@H+](C)C(C)C)c(C)n1-c1ccccc1 ZINC001361050399 1066284921 /nfs/dbraw/zinc/28/49/21/1066284921.db2.gz YSPVGENCPKIFMJ-AREMUKBSSA-N 1 0 478.685 4.944 20 10 JJCDRO Cc1cc(C(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c(C)n1-c1cccc(Br)c1 ZINC001455256841 1066375807 /nfs/dbraw/zinc/37/58/07/1066375807.db2.gz VYSDAXGEQYKYSO-KRWDZBQOSA-N 1 0 453.384 4.603 20 10 JJCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC001444305608 1066445427 /nfs/dbraw/zinc/44/54/27/1066445427.db2.gz WXXKGPAJEUVXTC-LYZGTLIUSA-N 1 0 457.618 4.961 20 10 JJCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3sc(-c4ccc(C)cc4)nc3C)cc2F)CC1 ZINC001456124872 1066515145 /nfs/dbraw/zinc/51/51/45/1066515145.db2.gz CYMFFWISJOPFBV-UHFFFAOYSA-N 1 0 452.599 4.638 20 10 JJCDRO CC(C)(C)c1ccc(C(F)(F)C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cc1 ZINC001458023858 1066957987 /nfs/dbraw/zinc/95/79/87/1066957987.db2.gz YNPGHEUKJGZWAU-UHFFFAOYSA-N 1 0 455.593 4.924 20 10 JJCDRO Cc1ccc([C@@H]2CCCC[N@H+]2CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 ZINC001459542720 1067347887 /nfs/dbraw/zinc/34/78/87/1067347887.db2.gz PSWAIRUUWVNJCK-OTPAQWSUSA-N 1 0 453.602 4.591 20 10 JJCDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C)C2 ZINC001459558543 1067350602 /nfs/dbraw/zinc/35/06/02/1067350602.db2.gz WLZYUCLVNVRCCR-IAGOWNOFSA-N 1 0 458.624 4.994 20 10 JJCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]C/C=C\c3ccc(OCc4ccccc4)cc3)cc2)C1 ZINC001461086646 1067778847 /nfs/dbraw/zinc/77/88/47/1067778847.db2.gz PNLHREGNNQBGDL-FJIHZUDRSA-N 1 0 455.602 4.770 20 10 JJCDRO CN(Cc1cccs1)c1ccc(C[NH2+]Cc2ccccc2S(=O)(=O)NC(C)(C)C)cc1 ZINC001461116762 1067784398 /nfs/dbraw/zinc/78/43/98/1067784398.db2.gz WCAMPXHVQITGNP-UHFFFAOYSA-N 1 0 457.665 4.751 20 10 JJCDRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC001461123675 1067785565 /nfs/dbraw/zinc/78/55/65/1067785565.db2.gz YJFSUFKBUFNIJE-QGZVFWFLSA-N 1 0 455.400 4.631 20 10 JJCDRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC001461123674 1067785755 /nfs/dbraw/zinc/78/57/55/1067785755.db2.gz YJFSUFKBUFNIJE-KRWDZBQOSA-N 1 0 455.400 4.631 20 10 JJCDRO O[C@@](C[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1)(c1ccccc1)C(F)(F)F ZINC001461147439 1067789003 /nfs/dbraw/zinc/78/90/03/1067789003.db2.gz IHAOQSRPNZKFRG-FQEVSTJZSA-N 1 0 457.334 4.979 20 10 JJCDRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]Cc3ccc(N4CCN(C)CC4)c(F)c3)s2)cc1 ZINC001461217693 1067801585 /nfs/dbraw/zinc/80/15/85/1067801585.db2.gz PFHMEZWHLRTEPP-KRWDZBQOSA-N 1 0 454.615 4.869 20 10 JJCDRO Fc1ccc(Br)c(F)c1CNCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC001461355282 1067837331 /nfs/dbraw/zinc/83/73/31/1067837331.db2.gz RELMKWZJNXFGLY-UHFFFAOYSA-N 1 0 450.371 4.549 20 10 JJCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cn(-c4ccc(Br)cc4)nc3C)C2)cc1 ZINC001461591247 1067895889 /nfs/dbraw/zinc/89/58/89/1067895889.db2.gz KOLIZCZCWBGATE-SFHVURJKSA-N 1 0 455.400 4.568 20 10 JJCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)C2)cc1 ZINC001461635078 1067906493 /nfs/dbraw/zinc/90/64/93/1067906493.db2.gz RXSSTSSUJZLRKU-GOEBONIOSA-N 1 0 455.908 4.953 20 10 JJCDRO COc1ccc(N2CCC[N@H+](Cc3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)CC2)cc1 ZINC001461884944 1067954452 /nfs/dbraw/zinc/95/44/52/1067954452.db2.gz MEPVTVJAEUEWKS-UHFFFAOYSA-N 1 0 457.640 4.762 20 10 JJCDRO Brc1cc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)ccc1N1CCCCC1 ZINC001461967972 1067971447 /nfs/dbraw/zinc/97/14/47/1067971447.db2.gz MDWYSQSMTNFXQG-NRFANRHFSA-N 1 0 451.449 4.990 20 10 JJCDRO CN(C)c1cc(F)c(CN(Cc2ccccc2Br)C2CC[NH+](C)CC2)cc1F ZINC001462302139 1068047376 /nfs/dbraw/zinc/04/73/76/1068047376.db2.gz CNPFBAAIEWUMFJ-UHFFFAOYSA-N 1 0 452.387 4.890 20 10 JJCDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@H]2Cc3ccccc3N(C(=O)C(F)(F)F)C2)cc1 ZINC001462415896 1068070105 /nfs/dbraw/zinc/07/01/05/1068070105.db2.gz ZYWHEGNTDADNTD-IBGZPJMESA-N 1 0 459.537 4.994 20 10 JJCDRO Cc1nc(CSc2ccccc2C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cs1 ZINC001463278589 1068342439 /nfs/dbraw/zinc/34/24/39/1068342439.db2.gz FPRDEZCNBCRNEV-QFIPXVFZSA-N 1 0 454.665 4.843 20 10 JJCDRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC001435065109 1064484215 /nfs/dbraw/zinc/48/42/15/1064484215.db2.gz NMLHHAFBBSQLDZ-PXDATVDWSA-N 1 0 471.592 4.921 20 10 JJCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc4ccccc4cc3OC(F)F)cc2F)CC1 ZINC001435077312 1064499924 /nfs/dbraw/zinc/49/99/24/1064499924.db2.gz VMFKGBKCKYDRJG-UHFFFAOYSA-N 1 0 457.496 4.652 20 10 JJCDRO C[C@H](CC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccc(F)c(Br)c1 ZINC001439960500 1065897309 /nfs/dbraw/zinc/89/73/09/1065897309.db2.gz LXXSXUPKCVRLIQ-QVKFZJNVSA-N 1 0 450.396 4.567 20 10 JJCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001441694370 1066062049 /nfs/dbraw/zinc/06/20/49/1066062049.db2.gz SODWYVBJGJUZTC-UHFFFAOYSA-N 1 0 458.650 4.730 20 10 JJCDRO Cc1cc(C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c(C)n1-c1ccc(C(C)C)cc1 ZINC001443021571 1066254785 /nfs/dbraw/zinc/25/47/85/1066254785.db2.gz ZVESOVFULKBKKE-SZPZYZBQSA-N 1 0 450.671 4.848 20 10 JJCDRO Cc1cc(-c2nnc(N(C)Cc3cnn(C)c3)n2C[C@H](CC(C)C)[NH+](C)C)c(C)n1-c1ccccc1 ZINC001361045810 1066271826 /nfs/dbraw/zinc/27/18/26/1066271826.db2.gz KVYXLCYGMSSLKA-VWLOTQADSA-N 1 0 488.684 4.699 20 10 JJCDRO Cc1cc(-c2nnc(N3CCO[C@H](C(C)C)C3)n2CCC[N@H+](C)C(C)C)c(C)n1-c1ccccc1 ZINC001361050400 1066285068 /nfs/dbraw/zinc/28/50/68/1066285068.db2.gz YSPVGENCPKIFMJ-SANMLTNESA-N 1 0 478.685 4.944 20 10 JJCDRO CC[NH+]1CCN(c2ccc(CNC(=O)/C(F)=C/c3ccc(C(F)(F)F)cc3)cc2F)CC1 ZINC001443590133 1066334164 /nfs/dbraw/zinc/33/41/64/1066334164.db2.gz DUKWTRUEJWYJAF-MOSHPQCFSA-N 1 0 453.455 4.613 20 10 JJCDRO Cc1cc(N(C)C)ccc1Cn1c(C(C)C)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001361096022 1066346504 /nfs/dbraw/zinc/34/65/04/1066346504.db2.gz TUSPJAOSOLFDNT-HSZRJFAPSA-N 1 0 452.691 4.773 20 10 JJCDRO Cc1cc(C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)c(C)n1-c1ccc(Br)cc1 ZINC001455929328 1066453061 /nfs/dbraw/zinc/45/30/61/1066453061.db2.gz FIQMHSVNSHGANH-KRWDZBQOSA-N 1 0 453.384 4.603 20 10 JJCDRO Cc1cc(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)c(C)n1-c1ccccc1Br ZINC001445337405 1066558708 /nfs/dbraw/zinc/55/87/08/1066558708.db2.gz LWJMMBQAGYIUEW-UHFFFAOYSA-N 1 0 458.375 4.858 20 10 JJCDRO Cc1cc(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)c(C)n1-c1ccc(Br)cc1 ZINC001445337129 1066558895 /nfs/dbraw/zinc/55/88/95/1066558895.db2.gz KRFMHFCRXCCJOM-UHFFFAOYSA-N 1 0 458.375 4.858 20 10 JJCDRO Cc1cc(C=O)c(C)n1-c1cc(C(=O)NC[C@H](C[NH+](C)C)c2ccc(Cl)cc2)ccc1C ZINC001449160862 1066986226 /nfs/dbraw/zinc/98/62/26/1066986226.db2.gz LOLPJFKFLITOEF-HSZRJFAPSA-N 1 0 451.998 4.944 20 10 JJCDRO Cc1cc(C=O)c(C)n1-c1cc(C(=O)NC[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)ccc1C ZINC001449160895 1066986273 /nfs/dbraw/zinc/98/62/73/1066986273.db2.gz LOLPJFKFLITOEF-QHCPKHFHSA-N 1 0 451.998 4.944 20 10 JJCDRO CCC(CC)[C@@H](Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)[C@H]1CCOC1)[NH+](C)C ZINC001545805075 1067118251 /nfs/dbraw/zinc/11/82/51/1067118251.db2.gz HPFXJJHIYLDMIJ-AZGAKELHSA-N 1 0 478.685 4.944 20 10 JJCDRO CCC[N@H+](CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)[C@@H](CC)c1ccccc1 ZINC001459369212 1067304944 /nfs/dbraw/zinc/30/49/44/1067304944.db2.gz MGCQMEWGRPEOJL-WATLYSKOSA-N 1 0 455.618 4.919 20 10 JJCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)c1 ZINC001459853415 1067457772 /nfs/dbraw/zinc/45/77/72/1067457772.db2.gz ZIBLRRPWWFYEHT-RCDICMHDSA-N 1 0 455.898 4.993 20 10 JJCDRO CC(=O)c1cc(F)cc(C[NH+]2CCC(CNC(=O)OC(C)(C)C)(c3ccccc3)CC2)c1O ZINC001460864737 1067737190 /nfs/dbraw/zinc/73/71/90/1067737190.db2.gz RBXFBBDFVLHPIM-UHFFFAOYSA-N 1 0 456.558 4.792 20 10 JJCDRO O=C1CCCN1C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)c(Br)c1)c1ccccc1 ZINC001461058610 1067772139 /nfs/dbraw/zinc/77/21/39/1067772139.db2.gz XYGPQXYTJMLBDV-JOCHJYFZSA-N 1 0 456.428 4.893 20 10 JJCDRO COc1ccc(N2CCC([NH2+]Cc3cn(-c4ccc(Br)cc4)nc3C)CC2)cc1 ZINC001461140845 1067788336 /nfs/dbraw/zinc/78/83/36/1067788336.db2.gz NOFIAYLCAPJWHW-UHFFFAOYSA-N 1 0 455.400 4.710 20 10 JJCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]C[C@H](O)c2cc(Cl)c3c(c2)OCCO3)cc1 ZINC001461234610 1067805936 /nfs/dbraw/zinc/80/59/36/1067805936.db2.gz MZARDYOCNFRLMG-DEOSSOPVSA-N 1 0 452.982 4.961 20 10 JJCDRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC001461437099 1067856418 /nfs/dbraw/zinc/85/64/18/1067856418.db2.gz UBKJHMJTXKGZED-GOSISDBHSA-N 1 0 452.437 4.929 20 10 JJCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cc(Br)ccc3Br)C2)cc1 ZINC001461591934 1067895850 /nfs/dbraw/zinc/89/58/50/1067895850.db2.gz SFIBMKVTYMBVPF-CQSZACIVSA-N 1 0 454.206 4.836 20 10 JJCDRO CC(C)(C)c1cc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)c(O)c(C(C)(C)C)c1 ZINC001461617941 1067902595 /nfs/dbraw/zinc/90/25/95/1067902595.db2.gz FSKSPGDWHPZGPO-UHFFFAOYSA-N 1 0 458.668 4.512 20 10 JJCDRO COc1ccc(Cl)cc1CN1CC[NH+](Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC001462014267 1067980782 /nfs/dbraw/zinc/98/07/82/1067980782.db2.gz CJKFGBKIPONKKQ-UHFFFAOYSA-N 1 0 452.982 4.951 20 10 JJCDRO O=C(N[C@@H]1C[C@@H]1C1CC[NH+](Cc2c(O)cccc2Br)CC1)OCc1ccccc1 ZINC001462296090 1068046092 /nfs/dbraw/zinc/04/60/92/1068046092.db2.gz LTEHQOPGLOUEIZ-WIYYLYMNSA-N 1 0 459.384 4.682 20 10 JJCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cc(-c3cccc(C(F)(F)F)c3)ccn2)[NH+](C)C)cc1 ZINC001463286983 1068345365 /nfs/dbraw/zinc/34/53/65/1068345365.db2.gz VYRYDMBWANQUGD-HSZRJFAPSA-N 1 0 456.512 4.866 20 10 JJCDRO CC(C)(C)OC(=O)Nc1ccccc1C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC001464441775 1068747197 /nfs/dbraw/zinc/74/71/97/1068747197.db2.gz GKDOICZVQLSWFF-UHFFFAOYSA-N 1 0 450.583 4.818 20 10 JJCDRO COc1cc(CN(C)C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)ccc1SC ZINC001434906751 1064333862 /nfs/dbraw/zinc/33/38/62/1064333862.db2.gz WXUGUBUWVVKUBQ-UHFFFAOYSA-N 1 0 451.636 4.797 20 10 JJCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(Oc4ccc(F)cc4)cc3)cc2F)CC1 ZINC001435072535 1064494922 /nfs/dbraw/zinc/49/49/22/1064494922.db2.gz BRDLWSHZEXPCSL-UHFFFAOYSA-N 1 0 451.517 4.829 20 10 JJCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3sc(-c4ccccc4C)nc3C)cc2F)CC1 ZINC001435073917 1064496593 /nfs/dbraw/zinc/49/65/93/1064496593.db2.gz HYQRVCINFUVFNR-UHFFFAOYSA-N 1 0 452.599 4.638 20 10 JJCDRO CCCCOc1ccc(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c(Cl)c1 ZINC001435573110 1064842888 /nfs/dbraw/zinc/84/28/88/1064842888.db2.gz NSTSQIJDVMJTNW-UHFFFAOYSA-N 1 0 456.030 4.981 20 10 JJCDRO C[NH+]1CCN(c2ccc(CNC(=O)C3(c4cccc(C(F)(F)F)c4)CCCCC3)cc2)CC1 ZINC001438887582 1065762748 /nfs/dbraw/zinc/76/27/48/1065762748.db2.gz QXMSPHXWUWEMIY-UHFFFAOYSA-N 1 0 459.556 4.976 20 10 JJCDRO C[NH+]1CCN(c2ccc(CNC(=O)COc3ccc(Cl)cc3C3CCCCC3)cc2)CC1 ZINC001438888344 1065763392 /nfs/dbraw/zinc/76/33/92/1065763392.db2.gz TWUJDXSVSOQVQV-UHFFFAOYSA-N 1 0 456.030 4.835 20 10 JJCDRO Cc1cc(C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)c(C)n1-c1ccc(C(C)C)cc1 ZINC001443021566 1066254861 /nfs/dbraw/zinc/25/48/61/1066254861.db2.gz ZVESOVFULKBKKE-FGZHOGPDSA-N 1 0 450.671 4.848 20 10 JJCDRO Cc1cc(-c2nnc(N(C)CC(C)(C)C)n2C[C@@H]2CCC[N@@H+]2CCCO)c(C)n1-c1ccccc1 ZINC001361045883 1066272207 /nfs/dbraw/zinc/27/22/07/1066272207.db2.gz MZBGNWBQRPVBJS-DEOSSOPVSA-N 1 0 478.685 4.682 20 10 JJCDRO Cc1cc(-c2nnc(N(C)CCC3CCOCC3)n2C[C@H](C)[NH+](C)C)c(C)n1-c1ccccc1 ZINC001361048861 1066278906 /nfs/dbraw/zinc/27/89/06/1066278906.db2.gz LKWFHEHFDPZERX-NRFANRHFSA-N 1 0 464.658 4.556 20 10 JJCDRO Cc1cc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2CCOC(C)(C)C)c(C)n1-c1ccccc1 ZINC001361049881 1066283867 /nfs/dbraw/zinc/28/38/67/1066283867.db2.gz QDQAIKLLCALIDM-UHFFFAOYSA-N 1 0 478.685 4.946 20 10 JJCDRO CC[NH+]1CCN(c2ccc(CNC(=O)/C(F)=C\c3ccc(C(F)(F)F)cc3)cc2F)CC1 ZINC001443590132 1066334086 /nfs/dbraw/zinc/33/40/86/1066334086.db2.gz DUKWTRUEJWYJAF-DEDYPNTBSA-N 1 0 453.455 4.613 20 10 JJCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N(C)C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC001455293066 1066381459 /nfs/dbraw/zinc/38/14/59/1066381459.db2.gz BSRUNAPFFOINGN-NDEPHWFRSA-N 1 0 457.618 4.962 20 10 JJCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001444305634 1066446101 /nfs/dbraw/zinc/44/61/01/1066446101.db2.gz WXXKGPAJEUVXTC-RBTNQOKQSA-N 1 0 457.618 4.961 20 10 JJCDRO CCc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c2c(n1)onc2C(C)C ZINC001445882167 1066630428 /nfs/dbraw/zinc/63/04/28/1066630428.db2.gz JWFXCZTXCBJDGQ-GOSISDBHSA-N 1 0 456.974 4.662 20 10 JJCDRO O=C(CCOc1ccc(Cl)c(Cl)c1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC001445888084 1066631098 /nfs/dbraw/zinc/63/10/98/1066631098.db2.gz XFLJNQYIYBVEME-MRXNPFEDSA-N 1 0 457.785 4.902 20 10 JJCDRO Cc1cc(C=O)c(C)n1-c1cc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)ccc1C ZINC001446983568 1066762050 /nfs/dbraw/zinc/76/20/50/1066762050.db2.gz SIWUZVALSGFJAL-UHFFFAOYSA-N 1 0 458.606 4.998 20 10 JJCDRO C/C(=C/C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1cccc(C(F)(F)F)c1 ZINC001458014917 1066957215 /nfs/dbraw/zinc/95/72/15/1066957215.db2.gz BBUZPUWAZDXHGF-CYVLTUHYSA-N 1 0 457.540 4.957 20 10 JJCDRO CCC[N@H+](CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)[C@H](CC)c1ccccc1 ZINC001459369192 1067305036 /nfs/dbraw/zinc/30/50/36/1067305036.db2.gz MGCQMEWGRPEOJL-STWLZBDKSA-N 1 0 455.618 4.919 20 10 JJCDRO Cc1ccc([C@@H]2CCCC[N@H+]2CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 ZINC001459542736 1067347823 /nfs/dbraw/zinc/34/78/23/1067347823.db2.gz PSWAIRUUWVNJCK-WATLYSKOSA-N 1 0 453.602 4.591 20 10 JJCDRO CC(C)Oc1cccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 ZINC001459846000 1067452043 /nfs/dbraw/zinc/45/20/43/1067452043.db2.gz DZDWWRRWZHGAQR-MSOLQXFVSA-N 1 0 456.542 4.927 20 10 JJCDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@@H](O)COc2cccc(C(F)(F)F)c2)cc1 ZINC001461098708 1067781631 /nfs/dbraw/zinc/78/16/31/1067781631.db2.gz XSHXPILPCHEFFR-HXUWFJFHSA-N 1 0 450.526 4.933 20 10 JJCDRO OCC1CCN(c2ccc(C[NH2+]Cc3cccc(Br)c3OC(F)F)cc2)CC1 ZINC001461099729 1067782065 /nfs/dbraw/zinc/78/20/65/1067782065.db2.gz HBLKWLQSLKJYSW-UHFFFAOYSA-N 1 0 455.343 4.549 20 10 JJCDRO O[C@](C[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1)(c1ccccc1)C(F)(F)F ZINC001461147442 1067789210 /nfs/dbraw/zinc/78/92/10/1067789210.db2.gz IHAOQSRPNZKFRG-HXUWFJFHSA-N 1 0 457.334 4.979 20 10 JJCDRO CCCOc1ccc(O[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)cc1 ZINC001461189914 1067796042 /nfs/dbraw/zinc/79/60/42/1067796042.db2.gz DYJUNMOKFXTUHJ-XNMGPUDCSA-N 1 0 455.618 4.846 20 10 JJCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)cc1 ZINC001461276234 1067816193 /nfs/dbraw/zinc/81/61/93/1067816193.db2.gz PRJWMZUUGVVDBQ-MHZLTWQESA-N 1 0 459.590 4.625 20 10 JJCDRO COC(=O)c1c(Cl)cc(F)cc1NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC001461490047 1067874166 /nfs/dbraw/zinc/87/41/66/1067874166.db2.gz VOQRPZBVOLIPSJ-UHFFFAOYSA-N 1 0 457.933 4.626 20 10 JJCDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001461568320 1067890908 /nfs/dbraw/zinc/89/09/08/1067890908.db2.gz ZIGUTSLMMHVRNP-HBMCJLEFSA-N 1 0 458.603 4.710 20 10 JJCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)C2)cc1 ZINC001461635084 1067906554 /nfs/dbraw/zinc/90/65/54/1067906554.db2.gz RXSSTSSUJZLRKU-ZBFHGGJFSA-N 1 0 455.908 4.953 20 10 JJCDRO CN(Cc1cccs1)c1ccc(C[NH+]2CCN([C@H](CO)c3ccc(Cl)cc3)CC2)cc1 ZINC001461846772 1067945755 /nfs/dbraw/zinc/94/57/55/1067945755.db2.gz BYYVXANLOZQHRG-RUZDIDTESA-N 1 0 456.055 4.889 20 10 JJCDRO CN(C)c1ccc(C[NH+]2CCC(OCCCNC(=O)OC(C)(C)C)CC2)c(C(F)(F)F)c1 ZINC001461891314 1067955726 /nfs/dbraw/zinc/95/57/26/1067955726.db2.gz ZQXMMUOEDQNYEE-UHFFFAOYSA-N 1 0 459.553 4.667 20 10 JJCDRO COc1ccc(C[N@@H+]2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)c(O)c1OC ZINC001461988686 1067976088 /nfs/dbraw/zinc/97/60/88/1067976088.db2.gz WVDHUGSNYMACJL-UHFFFAOYSA-N 1 0 451.498 4.751 20 10 JJCDRO Cc1cc(C(=O)NCC[N@@H+]2CCc3ccccc3C2)c(C)n1-c1ccc(Br)cc1 ZINC001464013049 1068588799 /nfs/dbraw/zinc/58/87/99/1068588799.db2.gz CPWGQHGLRRHLFF-UHFFFAOYSA-N 1 0 452.396 4.645 20 10 JJCDRO CC[N@H+](Cc1ccc(I)s1)Cc1cc(Br)ccc1O ZINC001461923082 1067961782 /nfs/dbraw/zinc/96/17/82/1067961782.db2.gz AINIDHFWGKYDDA-UHFFFAOYSA-N 1 0 452.155 4.843 20 10 JJCDRO CC(C)C[C@@H](Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(N2CCCC2)cc1)[NH+](C)C ZINC001359769763 1064400144 /nfs/dbraw/zinc/40/01/44/1064400144.db2.gz UNJSYNFNQXPFJE-LOSJGSFVSA-N 1 0 468.690 4.733 20 10 JJCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CCc3cccc(OC4CCCC4)c3)cc2F)CC1 ZINC001359919814 1064644081 /nfs/dbraw/zinc/64/40/81/1064644081.db2.gz CLCBGDGURKNSHE-UHFFFAOYSA-N 1 0 453.602 4.538 20 10 JJCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C3(c4c(Cl)cccc4Cl)CC3)cc2F)CC1 ZINC001359920005 1064644266 /nfs/dbraw/zinc/64/42/66/1064644266.db2.gz GCCQGHKGGMVZSW-UHFFFAOYSA-N 1 0 450.385 4.622 20 10 JJCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2ccc(Br)c(F)c2)C1 ZINC001360244964 1065097213 /nfs/dbraw/zinc/09/72/13/1065097213.db2.gz CUYFPHDHVFNCGI-UHFFFAOYSA-N 1 0 458.375 4.626 20 10 JJCDRO C[C@@H](CC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccc(F)c(Br)c1 ZINC001439960502 1065897380 /nfs/dbraw/zinc/89/73/80/1065897380.db2.gz LXXSXUPKCVRLIQ-YCRPNKLZSA-N 1 0 450.396 4.567 20 10 JJCDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2sccc2-n2c(C)ccc2C)CC1 ZINC001442542879 1066134801 /nfs/dbraw/zinc/13/48/01/1066134801.db2.gz GPXCGUVDXKELRE-LJQANCHMSA-N 1 0 454.615 4.928 20 10 JJCDRO Cc1cc(-c2nnc(N3CCC(CO)CC3)n2C[C@H](CC(C)C)[NH+](C)C)c(C)n1-c1ccccc1 ZINC001361050437 1066285751 /nfs/dbraw/zinc/28/57/51/1066285751.db2.gz ZDROAZNSVSQHDV-VWLOTQADSA-N 1 0 478.685 4.538 20 10 JJCDRO CCc1ccc(C(=O)Nc2cccc(N3CC[NH+](CCc4ccccc4)CC3)c2)cc1[N+](=O)[O-] ZINC001446823069 1066744992 /nfs/dbraw/zinc/74/49/92/1066744992.db2.gz IJBMVFIWTRZWMQ-UHFFFAOYSA-N 1 0 458.562 4.774 20 10 JJCDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C)C2 ZINC001459558547 1067350645 /nfs/dbraw/zinc/35/06/45/1067350645.db2.gz WLZYUCLVNVRCCR-SJORKVTESA-N 1 0 458.624 4.994 20 10 JJCDRO O=C(C[NH2+][C@H](CC1CCCCC1)c1ccccc1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001459877744 1067469803 /nfs/dbraw/zinc/46/98/03/1067469803.db2.gz PHDUOVHPJDURFE-RUZDIDTESA-N 1 0 453.602 4.580 20 10 JJCDRO CCOC(=O)c1c(NC(=O)C[N@H+](CCOC)[C@H]2CC[C@H](C)C2)sc(C)c1-c1ccccc1 ZINC001460041900 1067537089 /nfs/dbraw/zinc/53/70/89/1067537089.db2.gz YAIUHHXYTUYITA-PXNSSMCTSA-N 1 0 458.624 4.976 20 10 JJCDRO CCCOc1ccc(O[C@@H]2CCCC[C@@H]2[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)cc1 ZINC001461189911 1067795884 /nfs/dbraw/zinc/79/58/84/1067795884.db2.gz DYJUNMOKFXTUHJ-AHKZPQOWSA-N 1 0 455.618 4.846 20 10 JJCDRO Cn1c(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nc2cc(C(F)(F)F)ccc21 ZINC001461265540 1067814201 /nfs/dbraw/zinc/81/42/01/1067814201.db2.gz NFNPFWFKJCCTAY-HNNXBMFYSA-N 1 0 454.443 4.952 20 10 JJCDRO CN1CCN(c2ccc(C[NH2+][C@@H]3CCCN(c4ccc(Cl)cc4Cl)C3)cc2F)CC1 ZINC001461487080 1067872938 /nfs/dbraw/zinc/87/29/38/1067872938.db2.gz IKMLFFZMUVGHSN-LJQANCHMSA-N 1 0 451.417 4.643 20 10 JJCDRO CN1CCN(c2ccc(C[NH2+][C@H]3CCCN(c4ccc(Cl)cc4Cl)C3)cc2F)CC1 ZINC001461487073 1067873060 /nfs/dbraw/zinc/87/30/60/1067873060.db2.gz IKMLFFZMUVGHSN-IBGZPJMESA-N 1 0 451.417 4.643 20 10 JJCDRO COc1ccc(CN2CC[C@@H]2C[NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)cc1 ZINC001461643831 1067908651 /nfs/dbraw/zinc/90/86/51/1067908651.db2.gz RBGQQICSMOTSRU-OAQYLSRUSA-N 1 0 458.444 4.812 20 10 JJCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(OCC4CCCCC4)cc3)cc2F)CC1 ZINC001435076572 1064499143 /nfs/dbraw/zinc/49/91/43/1064499143.db2.gz RGQASKVACHQJQC-UHFFFAOYSA-N 1 0 453.602 4.857 20 10 JJCDRO Cc1cc(Br)ccc1CNC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC001435180518 1064572065 /nfs/dbraw/zinc/57/20/65/1064572065.db2.gz LEHQEAIPZXHREC-UHFFFAOYSA-N 1 0 454.412 4.795 20 10 JJCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCCOc2ccccc2C(F)(F)F)C1 ZINC001359922676 1064650585 /nfs/dbraw/zinc/65/05/85/1064650585.db2.gz GFOACRKGMLAUEC-UHFFFAOYSA-N 1 0 459.512 4.622 20 10 JJCDRO C[C@H](CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccc(F)c(Br)c1 ZINC001439960501 1065897341 /nfs/dbraw/zinc/89/73/41/1065897341.db2.gz LXXSXUPKCVRLIQ-VFNWGFHPSA-N 1 0 450.396 4.567 20 10 JJCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC001441358979 1066034068 /nfs/dbraw/zinc/03/40/68/1066034068.db2.gz WVYHEHCYVPNHOF-OAQYLSRUSA-N 1 0 457.618 4.997 20 10 JJCDRO Cc1cc(-c2nnc(N(C)CC(C)(C)C)n2C[C@H]2CCC[N@@H+]2CCCO)c(C)n1-c1ccccc1 ZINC001361045884 1066272376 /nfs/dbraw/zinc/27/23/76/1066272376.db2.gz MZBGNWBQRPVBJS-XMMPIXPASA-N 1 0 478.685 4.682 20 10 JJCDRO Cc1cc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCCOC(F)F)c(C)n1-c1ccccc1 ZINC001361049434 1066282106 /nfs/dbraw/zinc/28/21/06/1066282106.db2.gz DJMSCLMXQZDLJE-UHFFFAOYSA-N 1 0 486.611 4.902 20 10 JJCDRO Cc1cc(-c2nnc(N3CCOC(C)(C)[C@H]3C)n2CC(C)(C)C[NH+](C)C)c(C)n1-c1ccccc1 ZINC001361049599 1066282681 /nfs/dbraw/zinc/28/26/81/1066282681.db2.gz KAZLSTFAEJLPIT-JOCHJYFZSA-N 1 0 478.685 4.944 20 10 JJCDRO Cc1cc(-c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2CC[NH+](C(C)C)C(C)C)c(C)n1-c1ccccc1 ZINC001361051932 1066287132 /nfs/dbraw/zinc/28/71/32/1066287132.db2.gz GGZGWFPBWAMAHD-RLWLMLJZSA-N 1 0 478.685 4.679 20 10 JJCDRO Cc1cc(N(C)C)ccc1Cn1c(Cc2ccsc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001361097939 1066348312 /nfs/dbraw/zinc/34/83/12/1066348312.db2.gz MJJUZKIYXZKUPF-UHFFFAOYSA-N 1 0 466.699 4.664 20 10 JJCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C[C@H](C)c3ccc(C(F)(F)F)cc3)cc2F)CC1 ZINC001456129581 1066516631 /nfs/dbraw/zinc/51/66/31/1066516631.db2.gz NZGWYVQRQRWOCB-KRWDZBQOSA-N 1 0 451.508 4.796 20 10 JJCDRO O=C(CCc1ccccc1OC(F)(F)F)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC001445883996 1066630367 /nfs/dbraw/zinc/63/03/67/1066630367.db2.gz OXNDHBORJKVARR-GOSISDBHSA-N 1 0 456.892 4.658 20 10 JJCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1cccnc1Sc1ccccc1 ZINC001445888923 1066631217 /nfs/dbraw/zinc/63/12/17/1066631217.db2.gz XGLBPSQSUIIQFK-IBGZPJMESA-N 1 0 453.995 4.986 20 10 JJCDRO CCC(CC)[C@@H](Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)[C@@H]1CCOC1)[NH+](C)C ZINC001545805074 1067118210 /nfs/dbraw/zinc/11/82/10/1067118210.db2.gz HPFXJJHIYLDMIJ-AOYPEHQESA-N 1 0 478.685 4.944 20 10 JJCDRO CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 ZINC001459868788 1067465808 /nfs/dbraw/zinc/46/58/08/1067465808.db2.gz PUWVPOZYMLJKFB-MSOLQXFVSA-N 1 0 456.542 4.927 20 10 JJCDRO O=[N+]([O-])c1cccc(Br)c1C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001461262781 1067813441 /nfs/dbraw/zinc/81/34/41/1067813441.db2.gz JCPXHZJLJGDBLB-CYBMUJFWSA-N 1 0 456.287 4.717 20 10 JJCDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C[C@H]2C1 ZINC001461568322 1067890658 /nfs/dbraw/zinc/89/06/58/1067890658.db2.gz ZIGUTSLMMHVRNP-PCCBWWKXSA-N 1 0 458.603 4.710 20 10 JJCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cc(Br)ccc3Br)C2)cc1 ZINC001461591933 1067896047 /nfs/dbraw/zinc/89/60/47/1067896047.db2.gz SFIBMKVTYMBVPF-AWEZNQCLSA-N 1 0 454.206 4.836 20 10 JJCDRO Cc1c(C[C@H](CNC(=O)OC(C)(C)C)C[N@H+](Cc2ccccc2O)C2CCCC2)cnn1C ZINC001461987582 1067975920 /nfs/dbraw/zinc/97/59/20/1067975920.db2.gz QLEFKMLKICQDHT-HXUWFJFHSA-N 1 0 456.631 4.562 20 10 JJCDRO Cc1c(C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+](Cc2ccccc2O)C2CCCC2)cnn1C ZINC001461987576 1067975990 /nfs/dbraw/zinc/97/59/90/1067975990.db2.gz QLEFKMLKICQDHT-FQEVSTJZSA-N 1 0 456.631 4.562 20 10 JJCDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@@H]2Cc3ccccc3N(C(=O)C(F)(F)F)C2)cc1 ZINC001462415897 1068069820 /nfs/dbraw/zinc/06/98/20/1068069820.db2.gz ZYWHEGNTDADNTD-LJQANCHMSA-N 1 0 459.537 4.994 20 10 JJCDRO Cc1cc(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)c(C)n1-c1cccc(Br)c1 ZINC001463770391 1068519479 /nfs/dbraw/zinc/51/94/79/1068519479.db2.gz MOZIPJULGHLOGH-JOCHJYFZSA-N 1 0 454.412 4.759 20 10 JJCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cc(C)n(C4CCCCC4)c3C)CC2)cc1 ZINC001463773340 1068520688 /nfs/dbraw/zinc/52/06/88/1068520688.db2.gz HNHHPPBOMASICW-UHFFFAOYSA-N 1 0 452.643 4.561 20 10 JJCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Cc3csc([C@H]4CC[C@H](C)CC4)n3)cc2F)CC1 ZINC001359920363 1064644888 /nfs/dbraw/zinc/64/48/88/1064644888.db2.gz RQJXKAZDTVOKSK-KESTWPANSA-N 1 0 458.647 4.577 20 10 JJCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(C)(C)c3ccc(Cl)c(Cl)c3)cc2F)CC1 ZINC001360091103 1064958545 /nfs/dbraw/zinc/95/85/45/1064958545.db2.gz FBKAYNPMENRKGQ-UHFFFAOYSA-N 1 0 452.401 4.868 20 10 JJCDRO CC(C)[NH+](CCn1c(-c2ccccn2)nnc1N(C)Cc1ccc(N2CCCC2)cc1)C(C)C ZINC001360128751 1065023869 /nfs/dbraw/zinc/02/38/69/1065023869.db2.gz IPKYEHQGGMDPHS-UHFFFAOYSA-N 1 0 461.658 4.696 20 10 JJCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccc(Br)c(C(F)(F)F)c2)[NH+](C)C)cc1 ZINC001439959452 1065896652 /nfs/dbraw/zinc/89/66/52/1065896652.db2.gz FMUPMBIJNOVMCE-GOSISDBHSA-N 1 0 458.322 4.567 20 10 JJCDRO Cc1cc(-c2nnc(N(C)CCC3CCOCC3)n2C[C@@H](C)[NH+](C)C)c(C)n1-c1ccccc1 ZINC001361048862 1066279034 /nfs/dbraw/zinc/27/90/34/1066279034.db2.gz LKWFHEHFDPZERX-OAQYLSRUSA-N 1 0 464.658 4.556 20 10 JJCDRO Cc1cc(-c2nnc(N3CCC[C@@H](C(C)C)C3)n2CCOCC[NH+](C)C)c(C)n1-c1ccccc1 ZINC001361050304 1066284976 /nfs/dbraw/zinc/28/49/76/1066284976.db2.gz XBAUFTJEVIIZQE-XMMPIXPASA-N 1 0 478.685 4.803 20 10 JJCDRO Cc1cc(-c2nnc(N3CCC(CO)CC3)n2C[C@@H](CC(C)C)[NH+](C)C)c(C)n1-c1ccccc1 ZINC001361050436 1066285642 /nfs/dbraw/zinc/28/56/42/1066285642.db2.gz ZDROAZNSVSQHDV-RUZDIDTESA-N 1 0 478.685 4.538 20 10 JJCDRO Cc1cc(-c2nnc(Nc3ccn(C)n3)n2CC[NH+](C(C)C)C(C)C)c(C)n1-c1ccccc1 ZINC001361051995 1066286972 /nfs/dbraw/zinc/28/69/72/1066286972.db2.gz IOJUGVBFDQBJFA-UHFFFAOYSA-N 1 0 460.630 4.949 20 10 JJCDRO Cc1cc(N(C)C)ccc1Cn1c(CC(C)(C)C)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001361097779 1066348383 /nfs/dbraw/zinc/34/83/83/1066348383.db2.gz IIRRYSXHZWGNHC-UHFFFAOYSA-N 1 0 480.726 4.716 20 10 JJCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC001444305625 1066446038 /nfs/dbraw/zinc/44/60/38/1066446038.db2.gz WXXKGPAJEUVXTC-PIKZIKFNSA-N 1 0 457.618 4.961 20 10 JJCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CSCc3ccc(C(C)(C)C)cc3)cc2F)CC1 ZINC001456123759 1066515268 /nfs/dbraw/zinc/51/52/68/1066515268.db2.gz AWXAWQVHNCOAJY-UHFFFAOYSA-N 1 0 457.659 4.815 20 10 JJCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ccc(Cl)cc1Br ZINC001445883181 1066630477 /nfs/dbraw/zinc/63/04/77/1066630477.db2.gz MQWPJCPITGOZCJ-OAHLLOKOSA-N 1 0 458.183 4.856 20 10 JJCDRO O=C(C[N@@H+](Cc1ccccc1O)C1CCCC1)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC001459471471 1067333538 /nfs/dbraw/zinc/33/35/38/1067333538.db2.gz ZLAPEIMBOYNGLG-XMMPIXPASA-N 1 0 456.030 4.744 20 10 JJCDRO O=C(C[N@@H+](Cc1ccccc1O)C1CCCC1)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC001459471470 1067333877 /nfs/dbraw/zinc/33/38/77/1067333877.db2.gz ZLAPEIMBOYNGLG-DEOSSOPVSA-N 1 0 456.030 4.744 20 10 JJCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)c1 ZINC001459853414 1067457753 /nfs/dbraw/zinc/45/77/53/1067457753.db2.gz ZIBLRRPWWFYEHT-PEBXRYMYSA-N 1 0 455.898 4.993 20 10 JJCDRO COc1ccc(N2CCN(C[C@@H](C[N@H+](C)Cc3ccccc3)c3ccccc3)CC2)c(OC)c1 ZINC001460651578 1067687242 /nfs/dbraw/zinc/68/72/42/1067687242.db2.gz NNAKQFMISMUROU-AREMUKBSSA-N 1 0 459.634 4.742 20 10 JJCDRO COc1ccccc1[C@H](C[NH2+]Cc1c(O)cccc1Br)NC(=O)OC(C)(C)C ZINC001461065484 1067774536 /nfs/dbraw/zinc/77/45/36/1067774536.db2.gz HNNSRAQCXHIKPU-KRWDZBQOSA-N 1 0 451.361 4.519 20 10 JJCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)cc1 ZINC001461276230 1067816053 /nfs/dbraw/zinc/81/60/53/1067816053.db2.gz PRJWMZUUGVVDBQ-HHHXNRCGSA-N 1 0 459.590 4.625 20 10 JJCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)C2)cc1 ZINC001461590605 1067895363 /nfs/dbraw/zinc/89/53/63/1067895363.db2.gz BNMJMHRVDQNNNO-GOSISDBHSA-N 1 0 457.640 4.666 20 10 JJCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)C2)cc1 ZINC001461590610 1067895526 /nfs/dbraw/zinc/89/55/26/1067895526.db2.gz BNMJMHRVDQNNNO-SFHVURJKSA-N 1 0 457.640 4.666 20 10 JJCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cn(-c4ccc(Br)cc4)nc3C)C2)cc1 ZINC001461591244 1067895796 /nfs/dbraw/zinc/89/57/96/1067895796.db2.gz KOLIZCZCWBGATE-GOSISDBHSA-N 1 0 455.400 4.568 20 10 JJCDRO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1 ZINC001461625133 1067904074 /nfs/dbraw/zinc/90/40/74/1067904074.db2.gz ILPGFKCGRVRMED-GMAHTHKFSA-N 1 0 457.590 4.783 20 10 JJCDRO CN(Cc1cccs1)c1ccc(C[NH+]2CCN([C@@H](CO)c3ccc(Cl)cc3)CC2)cc1 ZINC001461846773 1067945732 /nfs/dbraw/zinc/94/57/32/1067945732.db2.gz BYYVXANLOZQHRG-VWLOTQADSA-N 1 0 456.055 4.889 20 10 JJCDRO C[N@@H+](Cc1ccc(N2CCCCC2)c(Br)c1)C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC001462614716 1068112385 /nfs/dbraw/zinc/11/23/85/1068112385.db2.gz XRXFQAHOMOVFBJ-SFHVURJKSA-N 1 0 452.437 4.881 20 10 JJCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccccc2SC(=O)N(C)C)C1 ZINC001435039678 1064456393 /nfs/dbraw/zinc/45/63/93/1064456393.db2.gz FRQYSDICIRMTEL-UHFFFAOYSA-N 1 0 450.608 4.820 20 10 JJCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3sc(-c4ccccc4)cc3OC)cc2F)CC1 ZINC001359920239 1064644239 /nfs/dbraw/zinc/64/42/39/1064644239.db2.gz MZGLBHVXECXACB-UHFFFAOYSA-N 1 0 453.583 4.635 20 10 JJCDRO CC(C)CC[NH+]1CCC(Cn2c(C(C)C)nnc2N(C)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001359947783 1064697846 /nfs/dbraw/zinc/69/78/46/1064697846.db2.gz PGWUIBJMQTWHEG-UHFFFAOYSA-N 1 0 482.717 4.633 20 10 JJCDRO CC[NH+]1CCN(c2ccc(CNC(=O)/C(C)=C/c3c(Cl)cccc3Cl)cc2F)CC1 ZINC001360091373 1064958305 /nfs/dbraw/zinc/95/83/05/1064958305.db2.gz PAASXYBVWJUSBL-DTQAZKPQSA-N 1 0 450.385 4.994 20 10 JJCDRO CC[NH+]1CCN(c2ccc(CNC(=O)/C(C)=C\c3c(Cl)cccc3Cl)cc2F)CC1 ZINC001360091374 1064958380 /nfs/dbraw/zinc/95/83/80/1064958380.db2.gz PAASXYBVWJUSBL-SSZFMOIBSA-N 1 0 450.385 4.994 20 10 JJCDRO CCOC(=O)c1cc(F)c(F)cc1NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC001360211971 1065081852 /nfs/dbraw/zinc/08/18/52/1065081852.db2.gz MKYODVZEQAQONR-UHFFFAOYSA-N 1 0 455.505 4.501 20 10 JJCDRO Cc1cc(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)c(C)n1-c1ccc(C(C)C)cc1 ZINC001440670500 1065961904 /nfs/dbraw/zinc/96/19/04/1065961904.db2.gz BSIQIBIHFISLID-UHFFFAOYSA-N 1 0 458.650 4.765 20 10 JJCDRO Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)n1-c1ccc(Br)cc1 ZINC001440702605 1065967856 /nfs/dbraw/zinc/96/78/56/1065967856.db2.gz DWLCYYYTWTXCRP-OAQYLSRUSA-N 1 0 452.396 4.861 20 10 JJCDRO Cc1cc(C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC001442922068 1066240850 /nfs/dbraw/zinc/24/08/50/1066240850.db2.gz LTOPCRILDAENDM-HSZRJFAPSA-N 1 0 458.606 4.661 20 10 JJCDRO O=C(CCc1ccccc1OC(F)(F)F)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC001445884000 1066630420 /nfs/dbraw/zinc/63/04/20/1066630420.db2.gz OXNDHBORJKVARR-SFHVURJKSA-N 1 0 456.892 4.658 20 10 JJCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC001445887757 1066631135 /nfs/dbraw/zinc/63/11/35/1066631135.db2.gz VLYXJIDIFCNFQE-IBGZPJMESA-N 1 0 452.904 4.877 20 10 JJCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC001445894420 1066631772 /nfs/dbraw/zinc/63/17/72/1066631772.db2.gz LMYQOOLFNKWKAR-UHFFFAOYSA-N 1 0 459.590 4.953 20 10 JJCDRO COc1ccc(N2CC[NH+](CCCNc3nc(C)nc4scc(CC(C)C)c43)CC2)cc1 ZINC001458076004 1066968131 /nfs/dbraw/zinc/96/81/31/1066968131.db2.gz XIJJOMHGAQLRJE-UHFFFAOYSA-N 1 0 453.656 4.831 20 10 JJCDRO COc1ccc([C@@H](NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)C(F)(F)F)cc1 ZINC001458233527 1067008958 /nfs/dbraw/zinc/00/89/58/1067008958.db2.gz VHQGROZIAITLLY-XMMPIXPASA-N 1 0 459.512 4.836 20 10 JJCDRO COc1cccc(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)c1Br ZINC001459317983 1067293215 /nfs/dbraw/zinc/29/32/15/1067293215.db2.gz AZBBDDGXNGJDQN-UHFFFAOYSA-N 1 0 456.384 4.818 20 10 JJCDRO COc1ccc(N2CCC[N@H+](Cc3ccnc(-c4ccc(Br)cc4)n3)CC2)cc1 ZINC001459350306 1067300792 /nfs/dbraw/zinc/30/07/92/1067300792.db2.gz NCWYDOULWBBBSI-UHFFFAOYSA-N 1 0 453.384 4.627 20 10 JJCDRO Oc1ccccc1C[N@@H+](C[C@H](O)COc1ccc(Cl)cc1Br)C1CCCC1 ZINC001459465551 1067331479 /nfs/dbraw/zinc/33/14/79/1067331479.db2.gz HXIWJOIITNKSIJ-SFHVURJKSA-N 1 0 454.792 4.993 20 10 JJCDRO Cc1ccc([C@@H]2CCCC[N@H+]2CC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)cc1 ZINC001459542713 1067348066 /nfs/dbraw/zinc/34/80/66/1067348066.db2.gz PSWAIRUUWVNJCK-BKSPAHHJSA-N 1 0 453.602 4.591 20 10 JJCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H](C)c1ccccc1-c1ccc(Cl)cc1)cc2=O ZINC001459842307 1067449584 /nfs/dbraw/zinc/44/95/84/1067449584.db2.gz GWXVQLSVRYVTKY-HNNXBMFYSA-N 1 0 450.926 4.783 20 10 JJCDRO CCC(CC)(CNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)C(=O)OC(C)(C)C ZINC001461059638 1067772560 /nfs/dbraw/zinc/77/25/60/1067772560.db2.gz DGDREEQNXKXAIO-UHFFFAOYSA-N 1 0 455.643 4.672 20 10 JJCDRO COc1cc(C[NH2+]Cc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c(F)cc1Br ZINC001461064668 1067773914 /nfs/dbraw/zinc/77/39/14/1067773914.db2.gz DAQBSAQLTNONAN-KBPBESRZSA-N 1 0 455.343 4.639 20 10 JJCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]C/C=C/c3ccc(OCc4ccccc4)cc3)cc2)C1 ZINC001461086656 1067778647 /nfs/dbraw/zinc/77/86/47/1067778647.db2.gz PNLHREGNNQBGDL-SVNLLAJMSA-N 1 0 455.602 4.770 20 10 JJCDRO CN(C)c1ccc(C[NH2+]Cc2cccc(NC(=O)NCc3ccncc3)c2)c(C(F)(F)F)c1 ZINC001461191179 1067796428 /nfs/dbraw/zinc/79/64/28/1067796428.db2.gz UQEYRRKPFAOSBV-UHFFFAOYSA-N 1 0 457.500 4.778 20 10 JJCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]C[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)cc1 ZINC001461234616 1067805891 /nfs/dbraw/zinc/80/58/91/1067805891.db2.gz MZARDYOCNFRLMG-XMMPIXPASA-N 1 0 452.982 4.961 20 10 JJCDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C[C@H]2C1 ZINC001461568318 1067890697 /nfs/dbraw/zinc/89/06/97/1067890697.db2.gz ZIGUTSLMMHVRNP-ACRUOGEOSA-N 1 0 458.603 4.710 20 10 JJCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)C2)cc1 ZINC001461635081 1067906425 /nfs/dbraw/zinc/90/64/25/1067906425.db2.gz RXSSTSSUJZLRKU-HOCLYGCPSA-N 1 0 455.908 4.953 20 10 JJCDRO Brc1cc(C[NH2+]CC[C@@H]2CCC3(CCOCC3)CO2)ccc1N1CCCCC1 ZINC001461757018 1067931341 /nfs/dbraw/zinc/93/13/41/1067931341.db2.gz YDHFTWBKCMLHRP-FQEVSTJZSA-N 1 0 451.449 4.895 20 10 JJCDRO Brc1cc(C[NH2+]CC[C@H]2CCC3(CCOCC3)CO2)ccc1N1CCCCC1 ZINC001461757021 1067931417 /nfs/dbraw/zinc/93/14/17/1067931417.db2.gz YDHFTWBKCMLHRP-HXUWFJFHSA-N 1 0 451.449 4.895 20 10 JJCDRO O=C(N[C@@H]1C[C@H]1C1CC[NH+](Cc2c(O)cccc2Br)CC1)OCc1ccccc1 ZINC001462295436 1068046021 /nfs/dbraw/zinc/04/60/21/1068046021.db2.gz LTEHQOPGLOUEIZ-GHTZIAJQSA-N 1 0 459.384 4.682 20 10 JJCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C2)cc1 ZINC001462420123 1068070951 /nfs/dbraw/zinc/07/09/51/1068070951.db2.gz IYYWRBQPYVFRIM-ZBFHGGJFSA-N 1 0 455.908 4.953 20 10 JJCDRO COc1ccc(Br)c(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)c1 ZINC001434982386 1064398822 /nfs/dbraw/zinc/39/88/22/1064398822.db2.gz VDJZFFHTBZLOFP-UHFFFAOYSA-N 1 0 456.384 4.818 20 10 JJCDRO CC(C)Cc1nnc(N(C)Cc2ccc(N3CCCC3)cc2)n1CC1([NH+](C)C)CCCCC1 ZINC001359779888 1064426979 /nfs/dbraw/zinc/42/69/79/1064426979.db2.gz BQKRJHDQQNXSLN-UHFFFAOYSA-N 1 0 452.691 4.978 20 10 JJCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C[C@@H](C)c3ccccc3C(F)(F)F)cc2F)CC1 ZINC001435073296 1064495750 /nfs/dbraw/zinc/49/57/50/1064495750.db2.gz DVRJVCRHADACCO-QGZVFWFLSA-N 1 0 451.508 4.796 20 10 JJCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(-c4ccccc4OC)s3)cc2F)CC1 ZINC001359920332 1064645042 /nfs/dbraw/zinc/64/50/42/1064645042.db2.gz QOHOOXXEFPMMDE-UHFFFAOYSA-N 1 0 453.583 4.635 20 10 JJCDRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3cccnc3)n2CCCSc2nccs2)CC1 ZINC001360094979 1064967977 /nfs/dbraw/zinc/96/79/77/1064967977.db2.gz RUMCXFKSQYOROT-UHFFFAOYSA-N 1 0 471.700 4.536 20 10 JJCDRO COC(=O)c1cc(Cl)cc(C)c1NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC001438980447 1065774222 /nfs/dbraw/zinc/77/42/22/1065774222.db2.gz LMKHMMDACOYANR-UHFFFAOYSA-N 1 0 453.970 4.795 20 10 JJCDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(C)n(-c2ccc(Br)cn2)c1C)c1ccco1 ZINC001442484357 1066130848 /nfs/dbraw/zinc/13/08/48/1066130848.db2.gz BTJRASJGERKPRU-IBGZPJMESA-N 1 0 459.388 4.658 20 10 JJCDRO Cc1cc(-c2nnc(N(C)CCC(F)F)n2CC[N@H+]2CC=CCC2)c(C)n1-c1ccccc1 ZINC001361046041 1066273645 /nfs/dbraw/zinc/27/36/45/1066273645.db2.gz SKHNSJZFLOUWFZ-UHFFFAOYSA-N 1 0 454.569 4.706 20 10 JJCDRO Cc1cc(-c2nnc(N3CCSC(C)(C)C3)n2C[C@@H](C)[NH+](C)C)c(C)n1-c1ccccc1 ZINC001361052096 1066286945 /nfs/dbraw/zinc/28/69/45/1066286945.db2.gz LTEATRAYIHPPFS-LJQANCHMSA-N 1 0 452.672 4.635 20 10 JJCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cnc(-c4cccc(Cl)c4)s3)cc2F)CC1 ZINC001456131643 1066517840 /nfs/dbraw/zinc/51/78/40/1066517840.db2.gz UTKSOBPKTNWLHU-UHFFFAOYSA-N 1 0 458.990 4.675 20 10 JJCDRO CCC(CC)[C@H](Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)[C@H]1CCOC1)[NH+](C)C ZINC001545805073 1067118268 /nfs/dbraw/zinc/11/82/68/1067118268.db2.gz HPFXJJHIYLDMIJ-AHWVRZQESA-N 1 0 478.685 4.944 20 10 JJCDRO CCC(CC)[C@H](Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)[C@@H]1CCOC1)[NH+](C)C ZINC001545805076 1067118312 /nfs/dbraw/zinc/11/83/12/1067118312.db2.gz HPFXJJHIYLDMIJ-RSXGOPAZSA-N 1 0 478.685 4.944 20 10 JJCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3)c2)CC1 ZINC001459285596 1067282634 /nfs/dbraw/zinc/28/26/34/1067282634.db2.gz LYIRANIARQUXDJ-UHFFFAOYSA-N 1 0 459.550 4.601 20 10 JJCDRO COc1cc(NC(=O)C[N@H+](Cc2ccccc2O)[C@H](C)c2ccccc2)cc(OC)c1OC ZINC001459779079 1067417807 /nfs/dbraw/zinc/41/78/07/1067417807.db2.gz KYDOIXHUXQRFNX-GOSISDBHSA-N 1 0 450.535 4.620 20 10 JJCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)c1 ZINC001459853413 1067457818 /nfs/dbraw/zinc/45/78/18/1067457818.db2.gz ZIBLRRPWWFYEHT-JLCFBVMHSA-N 1 0 455.898 4.993 20 10 JJCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)C2)cc1 ZINC001461635076 1067906437 /nfs/dbraw/zinc/90/64/37/1067906437.db2.gz RXSSTSSUJZLRKU-GDBMZVCRSA-N 1 0 455.908 4.953 20 10 JJCDRO Brc1cc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)ccc1N1CCCCC1 ZINC001461967973 1067971567 /nfs/dbraw/zinc/97/15/67/1067971567.db2.gz MDWYSQSMTNFXQG-OAQYLSRUSA-N 1 0 451.449 4.990 20 10 JJCDRO CCOC(=O)c1cnn(C2CC[NH+](Cc3ccc(N(C)Cc4cccs4)cc3)CC2)c1C ZINC001462221922 1068031889 /nfs/dbraw/zinc/03/18/89/1068031889.db2.gz OKFQFKLTSUTXPL-UHFFFAOYSA-N 1 0 452.624 4.903 20 10 JJCDRO CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)COc2cc(Cl)cc(Cl)c2)[NH+](C)C)cc1 ZINC001463277745 1068341874 /nfs/dbraw/zinc/34/18/74/1068341874.db2.gz BSTMMBRWNNMGTQ-OAQYLSRUSA-N 1 0 452.426 4.884 20 10 JJCDRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC001464264186 1068680545 /nfs/dbraw/zinc/68/05/45/1068680545.db2.gz XCBSBDIDDBTPCI-AOYPEHQESA-N 1 0 451.680 4.650 20 10 JJCDRO CC(C)Cc1nnc(N(C)Cc2ccccc2O)n1CC1CC[NH+](Cc2cccs2)CC1 ZINC001359781166 1064431562 /nfs/dbraw/zinc/43/15/62/1064431562.db2.gz XBVAAOHXZQAJDC-UHFFFAOYSA-N 1 0 453.656 4.792 20 10 JJCDRO CC(C)C[NH+]1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCC(C)CC3)cc2)CC1 ZINC001360014926 1064813971 /nfs/dbraw/zinc/81/39/71/1064813971.db2.gz QJMXESAUCIQFCU-UHFFFAOYSA-N 1 0 452.691 4.638 20 10 JJCDRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@@H]3CCCCO3)n2CCCSc2nccs2)CC1 ZINC001360094710 1064966730 /nfs/dbraw/zinc/96/67/30/1064966730.db2.gz JVLQBEOCOULCOE-FQEVSTJZSA-N 1 0 478.732 4.715 20 10 JJCDRO CC(C)[N@@H+]1CCCN(c2nnc(CCc3ccccc3)n2CCCSc2nccs2)CC1 ZINC001360147144 1065049632 /nfs/dbraw/zinc/04/96/32/1065049632.db2.gz JQWMOKPMAPZIBS-UHFFFAOYSA-N 1 0 470.712 4.623 20 10 JJCDRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC001436849244 1065452370 /nfs/dbraw/zinc/45/23/70/1065452370.db2.gz WNOBEMYILKSXOW-SHQCIBLASA-N 1 0 480.052 4.943 20 10 JJCDRO CN(C)c1ccc([C@H](CNC(=O)COc2ccc(-c3ccccc3)cc2Cl)[NH+](C)C)cc1 ZINC001439959427 1065896699 /nfs/dbraw/zinc/89/66/99/1065896699.db2.gz FGGNAJLZNLGTPR-DEOSSOPVSA-N 1 0 451.998 4.871 20 10 JJCDRO CN(C)c1ccc([C@H](CNC(=O)c2ccc(Br)c(C(F)(F)F)c2)[NH+](C)C)cc1 ZINC001439959454 1065896807 /nfs/dbraw/zinc/89/68/07/1065896807.db2.gz FMUPMBIJNOVMCE-SFHVURJKSA-N 1 0 458.322 4.567 20 10 JJCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC001441358977 1066034003 /nfs/dbraw/zinc/03/40/03/1066034003.db2.gz WVYHEHCYVPNHOF-NRFANRHFSA-N 1 0 457.618 4.997 20 10 JJCDRO Cc1cc(C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC001442922077 1066240835 /nfs/dbraw/zinc/24/08/35/1066240835.db2.gz LTOPCRILDAENDM-QHCPKHFHSA-N 1 0 458.606 4.661 20 10 JJCDRO Cc1cc(-c2nnc(N(C)CC3CCOCC3)n2CC[N@@H+](C)C(C)C)c(C)n1-c1ccccc1 ZINC001361045804 1066271793 /nfs/dbraw/zinc/27/17/93/1066271793.db2.gz KQYWBBVDBGQVDO-UHFFFAOYSA-N 1 0 464.658 4.556 20 10 JJCDRO Cc1cc(-c2nnc(N(C)C[C@@H]3CCCCO3)n2CC[N@@H+](C)C(C)C)c(C)n1-c1ccccc1 ZINC001361045843 1066272261 /nfs/dbraw/zinc/27/22/61/1066272261.db2.gz LOEQNOINIQKZGX-DEOSSOPVSA-N 1 0 464.658 4.698 20 10 JJCDRO Cc1cc(-c2nnc(N3C[C@H](C)OC(C)(C)C3)n2CC[N@@H+](C)C(C)C)c(C)n1-c1ccccc1 ZINC001361048859 1066278927 /nfs/dbraw/zinc/27/89/27/1066278927.db2.gz LIOYGYFEOUJEBK-NRFANRHFSA-N 1 0 464.658 4.697 20 10 JJCDRO Cc1cc(-c2nnc(N3CCSC(C)(C)C3)n2C[C@H](C)[NH+](C)C)c(C)n1-c1ccccc1 ZINC001361052095 1066286957 /nfs/dbraw/zinc/28/69/57/1066286957.db2.gz LTEATRAYIHPPFS-IBGZPJMESA-N 1 0 452.672 4.635 20 10 JJCDRO Cc1cc(-c2nnc(N3CCSC[C@H]3C)n2CC[N@@H+](C)C(C)C)c(C)n1-c1ccccc1 ZINC001361052677 1066287558 /nfs/dbraw/zinc/28/75/58/1066287558.db2.gz VUXZDINDKBEKBM-HXUWFJFHSA-N 1 0 452.672 4.635 20 10 JJCDRO CC[C@H](Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC([NH2+]C(C)C)CC1)OC ZINC001545956373 1066288051 /nfs/dbraw/zinc/28/80/51/1066288051.db2.gz BAULUYJCZDZCQY-XMMPIXPASA-N 1 0 464.658 4.744 20 10 JJCDRO CC[C@@H](Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[N@@H+](C(C)C)CC1)OC ZINC001545956988 1066295150 /nfs/dbraw/zinc/29/51/50/1066295150.db2.gz MMXZTEVVYHWTDI-DEOSSOPVSA-N 1 0 464.658 4.698 20 10 JJCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001444305591 1066445327 /nfs/dbraw/zinc/44/53/27/1066445327.db2.gz WXXKGPAJEUVXTC-KMRXNPHXSA-N 1 0 457.618 4.961 20 10 JJCDRO CCc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c2c(n1)onc2C(C)C ZINC001445882168 1066630306 /nfs/dbraw/zinc/63/03/06/1066630306.db2.gz JWFXCZTXCBJDGQ-SFHVURJKSA-N 1 0 456.974 4.662 20 10 JJCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ccc(Cl)cc1Br ZINC001445883168 1066630332 /nfs/dbraw/zinc/63/03/32/1066630332.db2.gz MQWPJCPITGOZCJ-HNNXBMFYSA-N 1 0 458.183 4.856 20 10 JJCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1cc(Cl)ccc1Br ZINC001445885282 1066630837 /nfs/dbraw/zinc/63/08/37/1066630837.db2.gz QQEJIWNNJWJYLX-HNNXBMFYSA-N 1 0 458.183 4.856 20 10 JJCDRO CC(C)(C)c1ccc([C@H](O)CCC(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)cc1 ZINC001445889870 1066631890 /nfs/dbraw/zinc/63/18/90/1066631890.db2.gz ZYLUJXGEHPGJGD-DHIUTWEWSA-N 1 0 459.030 4.938 20 10 JJCDRO Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c(C)n1-c1ccc(Br)cn1 ZINC001448569146 1066939775 /nfs/dbraw/zinc/93/97/75/1066939775.db2.gz HUUXQNSWLMKZIS-FQEVSTJZSA-N 1 0 459.432 4.779 20 10 JJCDRO Cc1cc(Br)cc(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1C ZINC001458014861 1066957199 /nfs/dbraw/zinc/95/71/99/1066957199.db2.gz APNLOLCCNPHKQV-UHFFFAOYSA-N 1 0 456.428 4.528 20 10 JJCDRO Cc1c(Br)ccc(O)c1NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC001450230677 1067061962 /nfs/dbraw/zinc/06/19/62/1067061962.db2.gz ZYWKZCIWXOPOGB-UHFFFAOYSA-N 1 0 456.384 4.823 20 10 JJCDRO Cc1ccc([C@H]2CCCC[N@H+]2CC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)cc1 ZINC001459542727 1067348012 /nfs/dbraw/zinc/34/80/12/1067348012.db2.gz PSWAIRUUWVNJCK-TYBLODHISA-N 1 0 453.602 4.591 20 10 JJCDRO COc1cc(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c(F)cc1Br ZINC001461064675 1067773892 /nfs/dbraw/zinc/77/38/92/1067773892.db2.gz DAQBSAQLTNONAN-ZIAGYGMSSA-N 1 0 455.343 4.639 20 10 JJCDRO COc1ccc(N2CCN(CC[NH2+]CC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC001461113110 1067784099 /nfs/dbraw/zinc/78/40/99/1067784099.db2.gz GQUHCFXLWHICKY-UHFFFAOYSA-N 1 0 451.561 4.517 20 10 JJCDRO CCC[C@@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001461127807 1067786647 /nfs/dbraw/zinc/78/66/47/1067786647.db2.gz FHNQVGWMGDDIDY-AREMUKBSSA-N 1 0 450.627 4.661 20 10 JJCDRO CC1CCN(c2ccc(C[NH2+][C@H]3CCOC4(CCN(C(=O)OC(C)(C)C)CC4)C3)cc2)CC1 ZINC001461170052 1067792353 /nfs/dbraw/zinc/79/23/53/1067792353.db2.gz MSLILCVHKJRZKL-QHCPKHFHSA-N 1 0 457.659 4.961 20 10 JJCDRO CC1CCN(c2ccc(C[NH2+][C@@H]3CCOC4(CCN(C(=O)OC(C)(C)C)CC4)C3)cc2)CC1 ZINC001461170051 1067792373 /nfs/dbraw/zinc/79/23/73/1067792373.db2.gz MSLILCVHKJRZKL-HSZRJFAPSA-N 1 0 457.659 4.961 20 10 JJCDRO CC(C)(C)c1cc(C[NH2+]CCN2CCN(C(=O)C3CCCCC3)CC2)c(O)c(C(C)(C)C)c1 ZINC001461190770 1067796493 /nfs/dbraw/zinc/79/64/93/1067796493.db2.gz KTLYQDJIUHBWFW-UHFFFAOYSA-N 1 0 457.703 4.801 20 10 JJCDRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]Cc3ccc(N4CCN(C)CC4)c(F)c3)s2)cc1 ZINC001461217694 1067801623 /nfs/dbraw/zinc/80/16/23/1067801623.db2.gz PFHMEZWHLRTEPP-QGZVFWFLSA-N 1 0 454.615 4.869 20 10 JJCDRO O=[N+]([O-])c1cccc(Br)c1C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001461262786 1067813686 /nfs/dbraw/zinc/81/36/86/1067813686.db2.gz JCPXHZJLJGDBLB-ZDUSSCGKSA-N 1 0 456.287 4.717 20 10 JJCDRO O=C(Nc1ccccc1)N1CC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC001461467096 1067864084 /nfs/dbraw/zinc/86/40/84/1067864084.db2.gz SROBBLBMHZVUCA-HXUWFJFHSA-N 1 0 457.416 4.835 20 10 JJCDRO COc1cc(Cl)cc(C[N@H+]2C[C@@H](c3ccccc3F)[C@H](NC(=O)OC(C)(C)C)C2)c1O ZINC001462340115 1068054481 /nfs/dbraw/zinc/05/44/81/1068054481.db2.gz PGKNHIXDUWNEOX-PKOBYXMFSA-N 1 0 450.938 4.686 20 10 JJCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C2)cc1 ZINC001462420110 1068070837 /nfs/dbraw/zinc/07/08/37/1068070837.db2.gz IYYWRBQPYVFRIM-GDBMZVCRSA-N 1 0 455.908 4.953 20 10 JJCDRO Oc1cc(Br)ccc1C[NH2+]Cc1cc(Cl)ccc1I ZINC001462419830 1068070895 /nfs/dbraw/zinc/07/08/95/1068070895.db2.gz HSXDCZJRFABZHV-UHFFFAOYSA-N 1 0 452.517 4.703 20 10 JJCDRO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001462466037 1068080311 /nfs/dbraw/zinc/08/03/11/1068080311.db2.gz HAZCONJVRISRTE-UHFFFAOYSA-N 1 0 459.377 4.639 20 10 JJCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3csc(-c4ccc(Cl)cc4)n3)cc2F)CC1 ZINC001360091287 1064958490 /nfs/dbraw/zinc/95/84/90/1064958490.db2.gz MGASABGKZYHCFK-UHFFFAOYSA-N 1 0 458.990 4.675 20 10 JJCDRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCSc2nccs2)CC1 ZINC001360305153 1065139254 /nfs/dbraw/zinc/13/92/54/1065139254.db2.gz JUECLAQFZUDQLE-UHFFFAOYSA-N 1 0 478.091 4.599 20 10 JJCDRO CN(C)c1ccc([C@H](CNC(=O)c2cc3ccccc3n2Cc2ccccc2F)[NH+](C)C)cc1 ZINC001439960047 1065897229 /nfs/dbraw/zinc/89/72/29/1065897229.db2.gz JOPCGOICECAVSZ-MHZLTWQESA-N 1 0 458.581 4.927 20 10 JJCDRO Cc1cc(-c2nnc(N(C)CCCc3ccccn3)n2C[C@@H](C)[NH+](C)C)c(C)n1-c1ccccc1 ZINC001361048881 1066279588 /nfs/dbraw/zinc/27/95/88/1066279588.db2.gz MAAISMRBJZMDPT-JOCHJYFZSA-N 1 0 471.653 4.767 20 10 JJCDRO Cc1cc(-c2nnc(N3CCCO[C@H](C)C3)n2CCC[N@@H+](C)C(C)C)c(C)n1-c1ccccc1 ZINC001361049734 1066283211 /nfs/dbraw/zinc/28/32/11/1066283211.db2.gz OEWNFVUOPNVIOZ-JOCHJYFZSA-N 1 0 464.658 4.698 20 10 JJCDRO COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC001443636965 1066341984 /nfs/dbraw/zinc/34/19/84/1066341984.db2.gz SPLCGYGTMCLCEE-DEOSSOPVSA-N 1 0 458.606 4.602 20 10 JJCDRO Cc1cc(CC(=O)NCCc2ccc(OCC[NH+](C)C)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC001456184226 1066531883 /nfs/dbraw/zinc/53/18/83/1066531883.db2.gz GAIFTOQDHFGPEH-UHFFFAOYSA-N 1 0 454.014 4.589 20 10 JJCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC001445887788 1066631066 /nfs/dbraw/zinc/63/10/66/1066631066.db2.gz VLYXJIDIFCNFQE-LJQANCHMSA-N 1 0 452.904 4.877 20 10 JJCDRO CC(C)(C)c1ccc([C@@H](O)CCC(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)cc1 ZINC001445889877 1066631905 /nfs/dbraw/zinc/63/19/05/1066631905.db2.gz ZYLUJXGEHPGJGD-GOTSBHOMSA-N 1 0 459.030 4.938 20 10 JJCDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3ccc(-n4ccc(C(F)(F)F)n4)cc3)c2)CC1 ZINC001447322683 1066792338 /nfs/dbraw/zinc/79/23/38/1066792338.db2.gz VASLNKATKMCRRA-UHFFFAOYSA-N 1 0 457.500 4.674 20 10 JJCDRO CC(C)[N@H+](CC(=O)Nc1ccccc1C(=O)NCc1ccccc1)Cc1ccc(N(C)C)cc1 ZINC001459339175 1067298358 /nfs/dbraw/zinc/29/83/58/1067298358.db2.gz YZQIVZUPSXPESH-UHFFFAOYSA-N 1 0 458.606 4.532 20 10 JJCDRO CC(C)Oc1cccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 ZINC001459846014 1067452083 /nfs/dbraw/zinc/45/20/83/1067452083.db2.gz DZDWWRRWZHGAQR-ZWKOTPCHSA-N 1 0 456.542 4.927 20 10 JJCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)c1 ZINC001459853412 1067457798 /nfs/dbraw/zinc/45/77/98/1067457798.db2.gz ZIBLRRPWWFYEHT-FPTDNZKUSA-N 1 0 455.898 4.993 20 10 JJCDRO CN(CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc(-c2nccs2)cc1 ZINC001460211637 1067580360 /nfs/dbraw/zinc/58/03/60/1067580360.db2.gz YILLYTXYOXBEHX-JOCHJYFZSA-N 1 0 455.027 4.853 20 10 JJCDRO CCC[C@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001461127812 1067786639 /nfs/dbraw/zinc/78/66/39/1067786639.db2.gz FHNQVGWMGDDIDY-SANMLTNESA-N 1 0 450.627 4.661 20 10 JJCDRO CC(C)(C)OC(=O)NC1(C[NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)CCC1 ZINC001461382393 1067843405 /nfs/dbraw/zinc/84/34/05/1067843405.db2.gz WJVHPYGQXGRFFT-UHFFFAOYSA-N 1 0 452.437 4.976 20 10 JJCDRO CN(C)c1ccc([C@@H](C[NH2+]C2CCN(Cc3ccccc3)CC2)NC(=O)OC(C)(C)C)cc1 ZINC001461402831 1067847195 /nfs/dbraw/zinc/84/71/95/1067847195.db2.gz YXNDQYCADASYEE-RUZDIDTESA-N 1 0 452.643 4.573 20 10 JJCDRO Cc1cc(NCc2cc(Br)cc(Br)c2O)ccc1OCC[NH+](C)C ZINC001462326852 1068051846 /nfs/dbraw/zinc/05/18/46/1068051846.db2.gz NFZLYKAAASEOCE-UHFFFAOYSA-N 1 0 458.194 4.778 20 10 JJCDRO C[N@@H+](Cc1ccc(N2CCCCC2)c(Br)c1)C[C@H]1CCN1C(=O)OC(C)(C)C ZINC001462614707 1068112191 /nfs/dbraw/zinc/11/21/91/1068112191.db2.gz XRXFQAHOMOVFBJ-GOSISDBHSA-N 1 0 452.437 4.881 20 10 JJCDRO Cc1cc(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)c(C)n1-c1cccc(Br)c1 ZINC001463770393 1068519376 /nfs/dbraw/zinc/51/93/76/1068519376.db2.gz MOZIPJULGHLOGH-QFIPXVFZSA-N 1 0 454.412 4.759 20 10 JJCDRO Cc1cc(C(=O)NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)c(C)n1-c1cc(C)cc(C)c1 ZINC001464095191 1068613293 /nfs/dbraw/zinc/61/32/93/1068613293.db2.gz DOOAEOJWIJIKRJ-MUUNZHRXSA-N 1 0 458.650 4.820 20 10 JJCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3c(C)onc3-c3cccc(Cl)c3)cc2F)CC1 ZINC001359920544 1064645095 /nfs/dbraw/zinc/64/50/95/1064645095.db2.gz ZXQPNKHRTJFDPU-UHFFFAOYSA-N 1 0 456.949 4.514 20 10 JJCDRO CC(C)[N@H+](C)CC1CCN(c2nnc([C@H]3CCCCO3)n2CCCSc2nccs2)CC1 ZINC001360094711 1064966906 /nfs/dbraw/zinc/96/69/06/1064966906.db2.gz JVLQBEOCOULCOE-HXUWFJFHSA-N 1 0 478.732 4.715 20 10 JJCDRO COc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(C)c(-n4c(C)cc(C=O)c4C)c3)CC2)cc1 ZINC001440869495 1065986199 /nfs/dbraw/zinc/98/61/99/1065986199.db2.gz CCGRCAKMVKROKB-UHFFFAOYSA-N 1 0 459.590 4.572 20 10 JJCDRO COc1ccc(C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)c(OCCC(C)C)c1 ZINC001442185928 1066100112 /nfs/dbraw/zinc/10/01/12/1066100112.db2.gz UENXPECVXUMWLY-UHFFFAOYSA-N 1 0 451.611 4.904 20 10 JJCDRO Cc1cc(C(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c(C)n1-c1ccc(C(C)C)cc1 ZINC001443021576 1066255004 /nfs/dbraw/zinc/25/50/04/1066255004.db2.gz ZVESOVFULKBKKE-VXKWHMMOSA-N 1 0 450.671 4.848 20 10 JJCDRO Cc1cc(-c2nnc(N3CCSC[C@@H]3C)n2CC[N@@H+](C)C(C)C)c(C)n1-c1ccccc1 ZINC001361052676 1066287635 /nfs/dbraw/zinc/28/76/35/1066287635.db2.gz VUXZDINDKBEKBM-FQEVSTJZSA-N 1 0 452.672 4.635 20 10 JJCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C[C@@H](C)c3ccc(C(F)(F)F)cc3)cc2F)CC1 ZINC001456129585 1066516832 /nfs/dbraw/zinc/51/68/32/1066516832.db2.gz NZGWYVQRQRWOCB-QGZVFWFLSA-N 1 0 451.508 4.796 20 10 JJCDRO O=C(CCOc1ccc(Cl)c(Cl)c1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC001445888081 1066630997 /nfs/dbraw/zinc/63/09/97/1066630997.db2.gz XFLJNQYIYBVEME-INIZCTEOSA-N 1 0 457.785 4.902 20 10 JJCDRO CCCN(CCC)C(=O)c1cccc(C(=O)Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)c1 ZINC001447322704 1066792473 /nfs/dbraw/zinc/79/24/73/1066792473.db2.gz VKNQERREGJGVLA-UHFFFAOYSA-N 1 0 450.627 4.732 20 10 JJCDRO Cc1cc(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)c(C)n1-c1ccc(Br)cn1 ZINC001448569149 1066939727 /nfs/dbraw/zinc/93/97/27/1066939727.db2.gz HUUXQNSWLMKZIS-HXUWFJFHSA-N 1 0 459.432 4.779 20 10 JJCDRO COc1ccc([C@H](NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)C(F)(F)F)cc1 ZINC001458233525 1067009051 /nfs/dbraw/zinc/00/90/51/1067009051.db2.gz VHQGROZIAITLLY-DEOSSOPVSA-N 1 0 459.512 4.836 20 10 JJCDRO CCC(CC)[C@H](Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCO[C@@H](C)C1)[NH+](C)C ZINC001545805010 1067117394 /nfs/dbraw/zinc/11/73/94/1067117394.db2.gz GIKYRCFQIQAPPM-LVXARBLLSA-N 1 0 478.685 4.944 20 10 JJCDRO CCC(CC)[C@H](Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCO[C@H](C)C1)[NH+](C)C ZINC001545805012 1067117507 /nfs/dbraw/zinc/11/75/07/1067117507.db2.gz GIKYRCFQIQAPPM-RLWLMLJZSA-N 1 0 478.685 4.944 20 10 JJCDRO CCC(CC)[C@@H](Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCO[C@H](C)C1)[NH+](C)C ZINC001545805011 1067117633 /nfs/dbraw/zinc/11/76/33/1067117633.db2.gz GIKYRCFQIQAPPM-QFQXNSOFSA-N 1 0 478.685 4.944 20 10 JJCDRO CCC[N@H+](CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)[C@H](CC)c1ccccc1 ZINC001459369203 1067304859 /nfs/dbraw/zinc/30/48/59/1067304859.db2.gz MGCQMEWGRPEOJL-TYBLODHISA-N 1 0 455.618 4.919 20 10 JJCDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C)C2 ZINC001459558545 1067350803 /nfs/dbraw/zinc/35/08/03/1067350803.db2.gz WLZYUCLVNVRCCR-IRXDYDNUSA-N 1 0 458.624 4.994 20 10 JJCDRO COC1CCN(c2ccc(C[NH+]3CCC(N(CC4CC4)C(=O)OC(C)(C)C)CC3)cc2)CC1 ZINC001459604263 1067360540 /nfs/dbraw/zinc/36/05/40/1067360540.db2.gz RTWCKAIZINJJSD-UHFFFAOYSA-N 1 0 457.659 4.913 20 10 JJCDRO CC(C)Oc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 ZINC001459868791 1067465788 /nfs/dbraw/zinc/46/57/88/1067465788.db2.gz PUWVPOZYMLJKFB-QZTJIDSGSA-N 1 0 456.542 4.927 20 10 JJCDRO COc1ccc(N2CCN(C[C@H](C[N@H+](C)Cc3ccccc3)c3ccccc3)CC2)c(OC)c1 ZINC001460651582 1067687215 /nfs/dbraw/zinc/68/72/15/1067687215.db2.gz NNAKQFMISMUROU-SANMLTNESA-N 1 0 459.634 4.742 20 10 JJCDRO COc1cc(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)c(F)cc1Br ZINC001461064672 1067773901 /nfs/dbraw/zinc/77/39/01/1067773901.db2.gz DAQBSAQLTNONAN-OKILXGFUSA-N 1 0 455.343 4.639 20 10 JJCDRO CCC(CC)C(=O)N1CCC([NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)CC1 ZINC001461068741 1067775322 /nfs/dbraw/zinc/77/53/22/1067775322.db2.gz XOZRFULYVAHSKB-UHFFFAOYSA-N 1 0 450.465 4.956 20 10 JJCDRO COc1cc(C[NH2+][C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)c(O)c(C(C)(C)C)c1 ZINC001461251529 1067809711 /nfs/dbraw/zinc/80/97/11/1067809711.db2.gz GQHPDBQFQBDSJJ-DEOSSOPVSA-N 1 0 453.604 4.981 20 10 JJCDRO O=C(CC[NH+]1CCCCC1)Nc1ccc(NCc2cc(Br)cc(F)c2O)cc1 ZINC001461315579 1067826369 /nfs/dbraw/zinc/82/63/69/1067826369.db2.gz QVPCPJJVXACUKI-UHFFFAOYSA-N 1 0 450.352 4.720 20 10 JJCDRO O=C(Nc1ccccc1)N1CC[C@H]([NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC001461467095 1067864011 /nfs/dbraw/zinc/86/40/11/1067864011.db2.gz SROBBLBMHZVUCA-FQEVSTJZSA-N 1 0 457.416 4.835 20 10 JJCDRO CC[N@H+](Cc1ccc(C(=O)OC)c(Br)c1)Cc1cc(Br)ccc1O ZINC001461925437 1067962262 /nfs/dbraw/zinc/96/22/62/1067962262.db2.gz HFPYMHMWFAKROX-UHFFFAOYSA-N 1 0 457.162 4.726 20 10 JJCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(N2CCCCC2)c(Br)c1 ZINC001462006311 1067979061 /nfs/dbraw/zinc/97/90/61/1067979061.db2.gz BXIJCQNUEFQHFM-UHFFFAOYSA-N 1 0 458.444 4.908 20 10 JJCDRO O=C(N[C@H]1C[C@@H]1C1CC[NH+](Cc2c(O)cccc2Br)CC1)OCc1ccccc1 ZINC001462295440 1068046175 /nfs/dbraw/zinc/04/61/75/1068046175.db2.gz LTEHQOPGLOUEIZ-NQIIRXRSSA-N 1 0 459.384 4.682 20 10 JJCDRO COc1ccc(O)c(C[N@@H+]2Cc3ccccc3OC3(CCN(C(=O)OC(C)(C)C)CC3)C2)c1 ZINC001462614749 1068112037 /nfs/dbraw/zinc/11/20/37/1068112037.db2.gz WKEQXVXQFBCSRF-UHFFFAOYSA-N 1 0 454.567 4.565 20 10 JJCDRO COC(=O)c1cc(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)ccc1SC ZINC001462854282 1068191785 /nfs/dbraw/zinc/19/17/85/1068191785.db2.gz GPNLUGAWZVRBQJ-UHFFFAOYSA-N 1 0 451.592 4.555 20 10 JJCDRO