smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)c1ccc(F)c(C)c1NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC001435653884 1064910378 /nfs/dbraw/zinc/91/03/78/1064910378.db2.gz FSBHWVPCJGIUFJ-UHFFFAOYSA-N 1 1 451.542 4.671 20 10 JJCDMO CC(C)C[C@H](CNC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2)C(=O)OC(C)(C)C ZINC001436951413 1065479399 /nfs/dbraw/zinc/47/93/99/1065479399.db2.gz HRHULOJPSJIIDZ-HXUWFJFHSA-N 1 1 455.643 4.528 20 10 JJCDMO CCN1CC[NH+](Cc2ccc(CNC(=O)c3cc(C)n(-c4cc(C)cc(C)c4)c3C)cc2)CC1 ZINC001441366377 1066035428 /nfs/dbraw/zinc/03/54/28/1066035428.db2.gz OQPWRCMXZQIUSX-UHFFFAOYSA-N 1 1 458.650 4.778 20 10 JJCDMO Cc1cc(N(C)C)ccc1Cn1c(CC2CCCC2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001361098332 1066348725 /nfs/dbraw/zinc/34/87/25/1066348725.db2.gz RGJGYQVFYGHLGF-UHFFFAOYSA-N 1 1 452.691 4.744 20 10 JJCDMO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1cccnc1Sc1ccccc1 ZINC001445888930 1066631196 /nfs/dbraw/zinc/63/11/96/1066631196.db2.gz XGLBPSQSUIIQFK-LJQANCHMSA-N 1 1 453.995 4.986 20 10 JJCDMO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1cc(Cl)ccc1Br ZINC001445885287 1066631280 /nfs/dbraw/zinc/63/12/80/1066631280.db2.gz QQEJIWNNJWJYLX-OAHLLOKOSA-N 1 1 458.183 4.856 20 10 JJCDMO CCN1CC[NH+](Cc2ccc(CNc3ccc([N+](=O)[O-])cc3C(=O)c3ccccc3)cc2)CC1 ZINC001458108513 1066978122 /nfs/dbraw/zinc/97/81/22/1066978122.db2.gz HCLHSBCKDZXJAL-UHFFFAOYSA-N 1 1 458.562 4.575 20 10 JJCDMO C[N@@H+](Cc1ccccc1)C1(CNc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)CCOCC1 ZINC001458576749 1067090302 /nfs/dbraw/zinc/09/03/02/1067090302.db2.gz CNSOWTDWNQOIKT-UHFFFAOYSA-N 1 1 459.546 4.919 20 10 JJCDMO Oc1ccccc1C[N@H+](Cc1ccnc(-c2ccc(Br)cc2)n1)C[C@@H]1CCCO1 ZINC001459733118 1067399005 /nfs/dbraw/zinc/39/90/05/1067399005.db2.gz DGLHCJCBBHFPMU-NRFANRHFSA-N 1 1 454.368 4.793 20 10 JJCDMO COc1cc(NC(=O)C[N@@H+](Cc2ccccc2O)[C@@H](C)c2ccccc2)cc(OC)c1OC ZINC001459779084 1067417740 /nfs/dbraw/zinc/41/77/40/1067417740.db2.gz KYDOIXHUXQRFNX-SFHVURJKSA-N 1 1 450.535 4.620 20 10 JJCDMO COc1ccc(N2CCC[N@@H+](Cc3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)CC2)cc1 ZINC001461881765 1067953615 /nfs/dbraw/zinc/95/36/15/1067953615.db2.gz CKQCEOFQRVOYOW-UHFFFAOYSA-N 1 1 451.611 4.701 20 10 JJCDMO CCOc1ccc(Br)cc1C[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC001461947706 1067966818 /nfs/dbraw/zinc/96/68/18/1067966818.db2.gz CIYSCSVMFGVURU-UHFFFAOYSA-N 1 1 459.428 4.974 20 10 JJCDMO Cc1cc(Br)c(O)c(C[NH+]2CCC([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c1 ZINC001462316307 1068050228 /nfs/dbraw/zinc/05/02/28/1068050228.db2.gz PLRPZUGBJPIHBS-KRWDZBQOSA-N 1 1 453.421 4.932 20 10 JJCDMO CCOc1ccc(Cl)cc1CCNC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC001435583848 1064848738 /nfs/dbraw/zinc/84/87/38/1064848738.db2.gz HXXCAEPMOIPGIK-UHFFFAOYSA-N 1 1 454.014 4.819 20 10 JJCDMO CC(C)C[C@@H](CNC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2)C(=O)OC(C)(C)C ZINC001436951404 1065479360 /nfs/dbraw/zinc/47/93/60/1065479360.db2.gz HRHULOJPSJIIDZ-FQEVSTJZSA-N 1 1 455.643 4.528 20 10 JJCDMO Cc1cc(-c2nnc(N(C)C[C@H]3CCCCO3)n2CC[N@H+](C)C(C)C)c(C)n1-c1ccccc1 ZINC001361045844 1066272469 /nfs/dbraw/zinc/27/24/69/1066272469.db2.gz LOEQNOINIQKZGX-XMMPIXPASA-N 1 1 464.658 4.698 20 10 JJCDMO Cc1cc(-c2nnc(N3CCCO[C@@H](C)C3)n2CCC[N@H+](C)C(C)C)c(C)n1-c1ccccc1 ZINC001361049735 1066283242 /nfs/dbraw/zinc/28/32/42/1066283242.db2.gz OEWNFVUOPNVIOZ-QFIPXVFZSA-N 1 1 464.658 4.698 20 10 JJCDMO Cc1cc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCCCCO)c(C)n1-c1ccccc1 ZINC001361049906 1066283857 /nfs/dbraw/zinc/28/38/57/1066283857.db2.gz QRMRJNSCHTUJIL-UHFFFAOYSA-N 1 1 478.685 4.826 20 10 JJCDMO CC[C@H](Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[N@H+](C(C)C)CC1)OC ZINC001545956989 1066295055 /nfs/dbraw/zinc/29/50/55/1066295055.db2.gz MMXZTEVVYHWTDI-XMMPIXPASA-N 1 1 464.658 4.698 20 10 JJCDMO Cc1cc(C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)c(C)n1-c1ccc(C(C)C)cc1 ZINC001444415076 1066460574 /nfs/dbraw/zinc/46/05/74/1066460574.db2.gz DRHGHCAPWDPILW-OAQYLSRUSA-N 1 1 459.638 4.553 20 10 JJCDMO Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC001444660060 1066489555 /nfs/dbraw/zinc/48/95/55/1066489555.db2.gz HNQNUBXXAHSKGP-UHFFFAOYSA-N 1 1 451.014 4.642 20 10 JJCDMO Cc1ccc(Cc2nc(C(=O)N[C@H]3CCC[N@H+](Cc4cc(Cl)ccc4O)C3)cs2)cc1 ZINC001445887871 1066631167 /nfs/dbraw/zinc/63/11/67/1066631167.db2.gz VRHWRELJQHNUGK-FQEVSTJZSA-N 1 1 456.011 4.796 20 10 JJCDMO Cc1ccc(Cc2nc(C(=O)N[C@H]3CCC[N@@H+](Cc4cc(Cl)ccc4O)C3)cs2)cc1 ZINC001445887871 1066631175 /nfs/dbraw/zinc/63/11/75/1066631175.db2.gz VRHWRELJQHNUGK-FQEVSTJZSA-N 1 1 456.011 4.796 20 10 JJCDMO CC(C)(C)c1ccc([C@H](O)CCC(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)cc1 ZINC001445889889 1066631786 /nfs/dbraw/zinc/63/17/86/1066631786.db2.gz ZYLUJXGEHPGJGD-XZOQPEGZSA-N 1 1 459.030 4.938 20 10 JJCDMO COC(=O)c1c(Cl)ccc(C)c1NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC001457904366 1066939236 /nfs/dbraw/zinc/93/92/36/1066939236.db2.gz KPMRURJRLLSWDE-UHFFFAOYSA-N 1 1 453.970 4.795 20 10 JJCDMO CC[N@H+](Cc1cc(Br)c([N+](=O)[O-])s1)Cc1cc(Br)ccc1O ZINC001461942744 1067965592 /nfs/dbraw/zinc/96/55/92/1067965592.db2.gz SYKMSPCHWLWWBH-UHFFFAOYSA-N 1 1 450.152 4.909 20 10 JJCDMO CC[N@@H+](Cc1cc(Br)c([N+](=O)[O-])s1)Cc1cc(Br)ccc1O ZINC001461942744 1067965597 /nfs/dbraw/zinc/96/55/97/1067965597.db2.gz SYKMSPCHWLWWBH-UHFFFAOYSA-N 1 1 450.152 4.909 20 10 JJCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)Cc2ccccc2Br)C1 ZINC001440341733 1065931425 /nfs/dbraw/zinc/93/14/25/1065931425.db2.gz VZZGUAXEDNEZFS-UHFFFAOYSA-N 1 1 454.412 4.829 20 10 JJCDMO CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccncc2)cc1 ZINC001440673500 1065961890 /nfs/dbraw/zinc/96/18/90/1065961890.db2.gz JMEOBRRVNXFVAV-WUFINQPMSA-N 1 1 456.634 4.802 20 10 JJCDMO Cc1cc(C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)c(C)n1-c1ccc(C(C)C)cc1 ZINC001444415073 1066460772 /nfs/dbraw/zinc/46/07/72/1066460772.db2.gz DRHGHCAPWDPILW-NRFANRHFSA-N 1 1 459.638 4.553 20 10 JJCDMO Cc1sc(Br)c(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c1C ZINC001445883892 1066630406 /nfs/dbraw/zinc/63/04/06/1066630406.db2.gz OJCXXMOMICHCBB-HNNXBMFYSA-N 1 1 457.821 4.881 20 10 JJCDMO Cc1sc(Br)c(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)c1C ZINC001445883892 1066630411 /nfs/dbraw/zinc/63/04/11/1066630411.db2.gz OJCXXMOMICHCBB-HNNXBMFYSA-N 1 1 457.821 4.881 20 10 JJCDMO CCOC(=O)c1c(NC(=O)C[N@@H+](CCOC)[C@H]2CC[C@@H](C)C2)sc(C)c1-c1ccccc1 ZINC001460041905 1067537026 /nfs/dbraw/zinc/53/70/26/1067537026.db2.gz YAIUHHXYTUYITA-XLIONFOSSA-N 1 1 458.624 4.976 20 10 JJCDMO CCOC(=O)c1c(NC(=O)C[N@@H+](CCOC)[C@@H]2CC[C@H](C)C2)sc(C)c1-c1ccccc1 ZINC001460041895 1067537062 /nfs/dbraw/zinc/53/70/62/1067537062.db2.gz YAIUHHXYTUYITA-FXAWDEMLSA-N 1 1 458.624 4.976 20 10 JJCDMO C[NH+]1CCN(c2ccc(CN[C@H](CC(F)(F)F)c3ccc(Br)cc3)cc2)CC1 ZINC001461454117 1067860874 /nfs/dbraw/zinc/86/08/74/1067860874.db2.gz XQEPWUNAPBNFAD-HXUWFJFHSA-N 1 1 456.350 4.984 20 10 JJCDMO COC(=O)c1c(C[N@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c2cc(F)ccc2n1C ZINC001461915284 1067960638 /nfs/dbraw/zinc/96/06/38/1067960638.db2.gz YWARSYLCDUBVLF-GFCCVEGCSA-N 1 1 455.477 4.959 20 10 JJCDMO Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3C)CCO2)c1 ZINC001462258695 1068039959 /nfs/dbraw/zinc/03/99/59/1068039959.db2.gz JUUYTKXMOPOHPI-HSZRJFAPSA-N 1 1 451.998 4.687 20 10 JJCDMO Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3C)CCO2)c1 ZINC001462258695 1068039974 /nfs/dbraw/zinc/03/99/74/1068039974.db2.gz JUUYTKXMOPOHPI-HSZRJFAPSA-N 1 1 451.998 4.687 20 10 JJCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)Cc2nc(C(F)(F)F)cs2)C1 ZINC001435460401 1064769490 /nfs/dbraw/zinc/76/94/90/1064769490.db2.gz RBCUGZVFOLTLGF-UHFFFAOYSA-N 1 1 450.530 4.542 20 10 JJCDMO CC(C)[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ccc(N2CCCC2)cc1 ZINC001360106845 1064988639 /nfs/dbraw/zinc/98/86/39/1064988639.db2.gz TVXAQOACCMAUFQ-UHFFFAOYSA-N 1 1 468.049 4.570 20 10 JJCDMO Cc1cc(-c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CC[N@H+](C)C(C)C)c(C)n1-c1ccccc1 ZINC001361048860 1066279128 /nfs/dbraw/zinc/27/91/28/1066279128.db2.gz LIOYGYFEOUJEBK-OAQYLSRUSA-N 1 1 464.658 4.697 20 10 JJCDMO Cc1cc(N(C)C)ccc1Cn1c(C(C)C)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001361095323 1066345820 /nfs/dbraw/zinc/34/58/20/1066345820.db2.gz IMKXLRFYCLMOOE-FQEVSTJZSA-N 1 1 452.672 4.769 20 10 JJCDMO Cc1cc(N(C)C)ccc1Cn1c(Cc2ccsc2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001361098119 1066348843 /nfs/dbraw/zinc/34/88/43/1066348843.db2.gz OJLHFSIEGTWROM-UHFFFAOYSA-N 1 1 480.726 4.910 20 10 JJCDMO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001445525235 1066582047 /nfs/dbraw/zinc/58/20/47/1066582047.db2.gz GLNWUIVMKTUDGU-UHFFFAOYSA-N 1 1 451.014 4.608 20 10 JJCDMO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1cc(-c2ccc(Cl)s2)on1 ZINC001445885599 1066631255 /nfs/dbraw/zinc/63/12/55/1066631255.db2.gz RQAKIONHXVVPFK-AWEZNQCLSA-N 1 1 452.363 4.810 20 10 JJCDMO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1cc(-c2ccc(Cl)s2)on1 ZINC001445885599 1066631262 /nfs/dbraw/zinc/63/12/62/1066631262.db2.gz RQAKIONHXVVPFK-AWEZNQCLSA-N 1 1 452.363 4.810 20 10 JJCDMO Cc1cc(C(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)c(C)n1-c1ccc(Br)cc1 ZINC001449331226 1067000296 /nfs/dbraw/zinc/00/02/96/1067000296.db2.gz MDJOBUPLWUUVOS-UHFFFAOYSA-N 1 1 452.396 4.813 20 10 JJCDMO CCC[N@@H+](Cc1ccccc1O)[C@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C)C2 ZINC001459558539 1067350756 /nfs/dbraw/zinc/35/07/56/1067350756.db2.gz WLZYUCLVNVRCCR-DLBZAZTESA-N 1 1 458.624 4.994 20 10 JJCDMO Oc1ccccc1C[N@H+](Cc1ccnc(-c2ccc(Br)cc2)n1)C[C@H]1CCCO1 ZINC001459733120 1067398975 /nfs/dbraw/zinc/39/89/75/1067398975.db2.gz DGLHCJCBBHFPMU-OAQYLSRUSA-N 1 1 454.368 4.793 20 10 JJCDMO CCOC(=O)c1c(NC(=O)C[N@@H+](CCOC)[C@@H]2CC[C@@H](C)C2)sc(C)c1-c1ccccc1 ZINC001460041908 1067536899 /nfs/dbraw/zinc/53/68/99/1067536899.db2.gz YAIUHHXYTUYITA-YLJYHZDGSA-N 1 1 458.624 4.976 20 10 JJCDMO Cc1cc(C(=O)NCC[N@@H+]2CCc3sccc3C2)c(C)n1-c1ccc(Br)cc1 ZINC001464461181 1068754528 /nfs/dbraw/zinc/75/45/28/1068754528.db2.gz DNANMKOCZFXYIY-UHFFFAOYSA-N 1 1 458.425 4.706 20 10 JJCDMO Cc1cc(C(=O)NCC[N@H+]2CCc3sccc3C2)c(C)n1-c1ccc(Br)cc1 ZINC001464461181 1068754539 /nfs/dbraw/zinc/75/45/39/1068754539.db2.gz DNANMKOCZFXYIY-UHFFFAOYSA-N 1 1 458.425 4.706 20 10 JJCDMO COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1 ZINC001443636969 1066341860 /nfs/dbraw/zinc/34/18/60/1066341860.db2.gz SPLCGYGTMCLCEE-XMMPIXPASA-N 1 1 458.606 4.602 20 10 JJCDMO CC(C)(C)c1ccc([C@@H](O)CCC(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)cc1 ZINC001445889883 1066631853 /nfs/dbraw/zinc/63/18/53/1066631853.db2.gz ZYLUJXGEHPGJGD-PKTZIBPZSA-N 1 1 459.030 4.938 20 10 JJCDMO Cc1nnc(N2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1CCCSc1nccs1 ZINC001492803451 1066952954 /nfs/dbraw/zinc/95/29/54/1066952954.db2.gz BEOXIBJAXTZDQA-UHFFFAOYSA-N 1 1 456.685 4.574 20 10 JJCDMO C[C@]1(c2ccccc2)C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)NCc1cccc(Br)c1O ZINC001448964193 1066974070 /nfs/dbraw/zinc/97/40/70/1066974070.db2.gz QGXFGEMOLVOWCQ-ATIYNZHBSA-N 1 1 479.418 4.861 20 10 JJCDMO CCC[N@@H+](CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)[C@@H](CC)c1ccccc1 ZINC001459369152 1067305012 /nfs/dbraw/zinc/30/50/12/1067305012.db2.gz MGCQMEWGRPEOJL-BKSPAHHJSA-N 1 1 455.618 4.919 20 10 JJCDMO Oc1ccccc1C[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Br)C1CCCC1 ZINC001459465543 1067331424 /nfs/dbraw/zinc/33/14/24/1067331424.db2.gz HXIWJOIITNKSIJ-GOSISDBHSA-N 1 1 454.792 4.993 20 10 JJCDMO CCCC[N@H+](CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)[C@@H](C)c1ccc(C)o1 ZINC001459468378 1067332476 /nfs/dbraw/zinc/33/24/76/1067332476.db2.gz ZUFZGXYLMXDIGM-HBMCJLEFSA-N 1 1 459.606 4.820 20 10 JJCDMO CCCC[N@@H+](CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)[C@@H](C)c1ccc(C)o1 ZINC001459468378 1067332491 /nfs/dbraw/zinc/33/24/91/1067332491.db2.gz ZUFZGXYLMXDIGM-HBMCJLEFSA-N 1 1 459.606 4.820 20 10 JJCDMO CCCC[N@H+](CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)[C@H](C)c1ccc(C)o1 ZINC001459468379 1067332555 /nfs/dbraw/zinc/33/25/55/1067332555.db2.gz ZUFZGXYLMXDIGM-PCCBWWKXSA-N 1 1 459.606 4.820 20 10 JJCDMO CCCC[N@@H+](CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)[C@H](C)c1ccc(C)o1 ZINC001459468379 1067332568 /nfs/dbraw/zinc/33/25/68/1067332568.db2.gz ZUFZGXYLMXDIGM-PCCBWWKXSA-N 1 1 459.606 4.820 20 10 JJCDMO C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC001459713172 1067392536 /nfs/dbraw/zinc/39/25/36/1067392536.db2.gz ANFLCSYFGXMBPC-KRWDZBQOSA-N 1 1 459.516 4.700 20 10 JJCDMO C[C@H]([NH2+]Cc1cc(Cl)ccc1I)c1ccc(N2CCOCC2)cc1 ZINC001459864660 1067462989 /nfs/dbraw/zinc/46/29/89/1067462989.db2.gz BTDYYKYJXMAHHY-AWEZNQCLSA-N 1 1 456.755 4.632 20 10 JJCDMO CN1CCN(c2ccc(C[NH2+]Cc3cnc(-c4ccc(Br)cc4)s3)cc2)CC1 ZINC001461714481 1067923632 /nfs/dbraw/zinc/92/36/32/1067923632.db2.gz KYTXBEKWAIRELO-UHFFFAOYSA-N 1 1 457.441 4.614 20 10 JJCDMO Cc1cc(Br)c(O)c(C[NH+]2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)c1 ZINC001461870525 1067951334 /nfs/dbraw/zinc/95/13/34/1067951334.db2.gz RGYXIPCSDSKQAA-UHFFFAOYSA-N 1 1 457.412 4.866 20 10 JJCDMO COC(=O)c1c(C[N@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c2cc(F)ccc2n1C ZINC001461915288 1067960699 /nfs/dbraw/zinc/96/06/99/1067960699.db2.gz YWARSYLCDUBVLF-LBPRGKRZSA-N 1 1 455.477 4.959 20 10 JJCDMO COc1ccc([C@@H]2C[N@@H+](Cc3c(O)cccc3Br)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001462519382 1068089969 /nfs/dbraw/zinc/08/99/69/1068089969.db2.gz NVQBGCJJKOLTIK-FXAWDEMLSA-N 1 1 477.399 4.656 20 10 JJCDMO Cc1cc(C(=O)NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)c(C)n1-c1cc(C)cc(C)c1 ZINC001464095244 1068613230 /nfs/dbraw/zinc/61/32/30/1068613230.db2.gz DOOAEOJWIJIKRJ-NDEPHWFRSA-N 1 1 458.650 4.820 20 10 JJCDMO Cc1cc(C(=O)NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)c(C)n1-c1cc(C)cc(C)c1 ZINC001464095244 1068613241 /nfs/dbraw/zinc/61/32/41/1068613241.db2.gz DOOAEOJWIJIKRJ-NDEPHWFRSA-N 1 1 458.650 4.820 20 10 JJCDMO Cc1cc(C(=O)NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)c(C)n1-c1cc(C)cc(C)c1 ZINC001464095244 1068613248 /nfs/dbraw/zinc/61/32/48/1068613248.db2.gz DOOAEOJWIJIKRJ-NDEPHWFRSA-N 1 1 458.650 4.820 20 10 JJCDMO C[C@H](c1ccsc1)[NH+]1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N(C)C)c(F)c2)CC1 ZINC001360466076 1065376561 /nfs/dbraw/zinc/37/65/61/1065376561.db2.gz HQWQCSUXPALNEG-GOSISDBHSA-N 1 1 470.662 4.774 20 10 JJCDMO C[C@@H](c1ccsc1)[NH+]1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N(C)C)c(F)c2)CC1 ZINC001360466077 1065376771 /nfs/dbraw/zinc/37/67/71/1065376771.db2.gz HQWQCSUXPALNEG-SFHVURJKSA-N 1 1 470.662 4.774 20 10 JJCDMO Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)n1-c1ccc(Br)cc1 ZINC001440702601 1065968005 /nfs/dbraw/zinc/96/80/05/1065968005.db2.gz DWLCYYYTWTXCRP-NRFANRHFSA-N 1 1 452.396 4.861 20 10 JJCDMO Cc1cc(-c2nnc(N(C)CC(C)(C)C)n2C[C@H](C)[NH+]2CCOCC2)c(C)n1-c1ccccc1 ZINC001361046075 1066273812 /nfs/dbraw/zinc/27/38/12/1066273812.db2.gz UKAOSLSAPIRNSK-NRFANRHFSA-N 1 1 464.658 4.556 20 10 JJCDMO Cc1cc(-c2nnc(N3CCO[C@@H](C(C)C)C3)n2CCC[N@@H+](C)C(C)C)c(C)n1-c1ccccc1 ZINC001361050399 1066284936 /nfs/dbraw/zinc/28/49/36/1066284936.db2.gz YSPVGENCPKIFMJ-AREMUKBSSA-N 1 1 478.685 4.944 20 10 JJCDMO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC001444305608 1066445433 /nfs/dbraw/zinc/44/54/33/1066445433.db2.gz WXXKGPAJEUVXTC-LYZGTLIUSA-N 1 1 457.618 4.961 20 10 JJCDMO Cc1ccc([C@@H]2CCCC[N@@H+]2CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 ZINC001459542720 1067347898 /nfs/dbraw/zinc/34/78/98/1067347898.db2.gz PSWAIRUUWVNJCK-OTPAQWSUSA-N 1 1 453.602 4.591 20 10 JJCDMO CCC[N@@H+](Cc1ccccc1O)[C@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C)C2 ZINC001459558543 1067350613 /nfs/dbraw/zinc/35/06/13/1067350613.db2.gz WLZYUCLVNVRCCR-IAGOWNOFSA-N 1 1 458.624 4.994 20 10 JJCDMO COc1ccc(N2CCC[N@@H+](Cc3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)CC2)cc1 ZINC001461884944 1067954463 /nfs/dbraw/zinc/95/44/63/1067954463.db2.gz MEPVTVJAEUEWKS-UHFFFAOYSA-N 1 1 457.640 4.762 20 10 JJCDMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC001435065109 1064484222 /nfs/dbraw/zinc/48/42/22/1064484222.db2.gz NMLHHAFBBSQLDZ-PXDATVDWSA-N 1 1 471.592 4.921 20 10 JJCDMO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC001441694370 1066062060 /nfs/dbraw/zinc/06/20/60/1066062060.db2.gz SODWYVBJGJUZTC-UHFFFAOYSA-N 1 1 458.650 4.730 20 10 JJCDMO 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 1066254799 /nfs/dbraw/zinc/25/47/99/1066254799.db2.gz ZVESOVFULKBKKE-SZPZYZBQSA-N 1 1 450.671 4.848 20 10 JJCDMO Cc1cc(-c2nnc(N3CCO[C@H](C(C)C)C3)n2CCC[N@@H+](C)C(C)C)c(C)n1-c1ccccc1 ZINC001361050400 1066285084 /nfs/dbraw/zinc/28/50/84/1066285084.db2.gz YSPVGENCPKIFMJ-SANMLTNESA-N 1 1 478.685 4.944 20 10 JJCDMO Cc1cc(N(C)C)ccc1Cn1c(C(C)C)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001361095324 1066346000 /nfs/dbraw/zinc/34/60/00/1066346000.db2.gz IMKXLRFYCLMOOE-HXUWFJFHSA-N 1 1 452.672 4.769 20 10 JJCDMO Cc1cc(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)c(C)n1-c1ccccc1Br ZINC001445337405 1066558722 /nfs/dbraw/zinc/55/87/22/1066558722.db2.gz LWJMMBQAGYIUEW-UHFFFAOYSA-N 1 1 458.375 4.858 20 10 JJCDMO Cc1cc(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)c(C)n1-c1ccc(Br)cc1 ZINC001445337129 1066558905 /nfs/dbraw/zinc/55/89/05/1066558905.db2.gz KRFMHFCRXCCJOM-UHFFFAOYSA-N 1 1 458.375 4.858 20 10 JJCDMO CCC[N@@H+](CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)[C@@H](CC)c1ccccc1 ZINC001459369212 1067304958 /nfs/dbraw/zinc/30/49/58/1067304958.db2.gz MGCQMEWGRPEOJL-WATLYSKOSA-N 1 1 455.618 4.919 20 10 JJCDMO Cc1cc(C(=O)Nc2cccnc2-n2cc[nH+]c2C)c(C)n1-c1ccc(Br)cc1 ZINC001464281234 1068688662 /nfs/dbraw/zinc/68/86/62/1068688662.db2.gz NXYCKMAJPFNSBK-UHFFFAOYSA-N 1 1 450.340 4.998 20 10 JJCDMO COc1cc(CN(C)C(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)ccc1SC ZINC001434906751 1064333883 /nfs/dbraw/zinc/33/38/83/1064333883.db2.gz WXUGUBUWVVKUBQ-UHFFFAOYSA-N 1 1 451.636 4.797 20 10 JJCDMO Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)c1 ZINC001441491751 1066046592 /nfs/dbraw/zinc/04/65/92/1066046592.db2.gz HALJHOMNAZXTQD-NRFANRHFSA-N 1 1 451.014 4.688 20 10 JJCDMO Cc1cc(-c2nnc(N(C)CC(C)(C)C)n2C[C@@H]2CCC[N@H+]2CCCO)c(C)n1-c1ccccc1 ZINC001361045883 1066272209 /nfs/dbraw/zinc/27/22/09/1066272209.db2.gz MZBGNWBQRPVBJS-DEOSSOPVSA-N 1 1 478.685 4.682 20 10 JJCDMO Cc1cc(-c2nnc(N(C)CC(C)(C)C)n2CC[N@H+]2CCOC[C@@H]2C)c(C)n1-c1ccccc1 ZINC001361045965 1066272852 /nfs/dbraw/zinc/27/28/52/1066272852.db2.gz QHFHGPZWBUQKMS-NRFANRHFSA-N 1 1 464.658 4.556 20 10 JJCDMO Cc1cc(-c2nnc(N(C)CC(C)(C)C)n2CC[N@@H+]2CCOC[C@@H]2C)c(C)n1-c1ccccc1 ZINC001361045965 1066272867 /nfs/dbraw/zinc/27/28/67/1066272867.db2.gz QHFHGPZWBUQKMS-NRFANRHFSA-N 1 1 464.658 4.556 20 10 JJCDMO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N(C)C[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC001455293066 1066381473 /nfs/dbraw/zinc/38/14/73/1066381473.db2.gz BSRUNAPFFOINGN-NDEPHWFRSA-N 1 1 457.618 4.962 20 10 JJCDMO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001444305634 1066446108 /nfs/dbraw/zinc/44/61/08/1066446108.db2.gz WXXKGPAJEUVXTC-RBTNQOKQSA-N 1 1 457.618 4.961 20 10 JJCDMO Cc1cc(C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(Cl)cc1 ZINC001444512126 1066471108 /nfs/dbraw/zinc/47/11/08/1066471108.db2.gz VJKGTRLILMZIPH-IBGZPJMESA-N 1 1 451.014 4.688 20 10 JJCDMO CCc1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)c2c(n1)onc2C(C)C ZINC001445882167 1066630431 /nfs/dbraw/zinc/63/04/31/1066630431.db2.gz JWFXCZTXCBJDGQ-GOSISDBHSA-N 1 1 456.974 4.662 20 10 JJCDMO Cc1sc(Br)c(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c1C ZINC001445883896 1066630464 /nfs/dbraw/zinc/63/04/64/1066630464.db2.gz OJCXXMOMICHCBB-OAHLLOKOSA-N 1 1 457.821 4.881 20 10 JJCDMO Cc1sc(Br)c(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)c1C ZINC001445883896 1066630469 /nfs/dbraw/zinc/63/04/69/1066630469.db2.gz OJCXXMOMICHCBB-OAHLLOKOSA-N 1 1 457.821 4.881 20 10 JJCDMO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1cc(-c2ccc(Cl)s2)on1 ZINC001445885604 1066631032 /nfs/dbraw/zinc/63/10/32/1066631032.db2.gz RQAKIONHXVVPFK-CQSZACIVSA-N 1 1 452.363 4.810 20 10 JJCDMO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1cc(-c2ccc(Cl)s2)on1 ZINC001445885604 1066631040 /nfs/dbraw/zinc/63/10/40/1066631040.db2.gz RQAKIONHXVVPFK-CQSZACIVSA-N 1 1 452.363 4.810 20 10 JJCDMO O=C(CCOc1ccc(Cl)c(Cl)c1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001445888084 1066631104 /nfs/dbraw/zinc/63/11/04/1066631104.db2.gz XFLJNQYIYBVEME-MRXNPFEDSA-N 1 1 457.785 4.902 20 10 JJCDMO CCC[N@@H+](CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)[C@H](CC)c1ccccc1 ZINC001459369192 1067305039 /nfs/dbraw/zinc/30/50/39/1067305039.db2.gz MGCQMEWGRPEOJL-STWLZBDKSA-N 1 1 455.618 4.919 20 10 JJCDMO Cc1ccc([C@@H]2CCCC[N@@H+]2CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 ZINC001459542736 1067347833 /nfs/dbraw/zinc/34/78/33/1067347833.db2.gz PSWAIRUUWVNJCK-WATLYSKOSA-N 1 1 453.602 4.591 20 10 JJCDMO COC(=O)[C@@H](c1cccc(Cl)c1)N1CC[NH+](Cc2ccc(N3CCCCC3)c(C)c2)CC1 ZINC001459673919 1067379797 /nfs/dbraw/zinc/37/97/97/1067379797.db2.gz VWVOGNDXIJVGQV-RUZDIDTESA-N 1 1 456.030 4.671 20 10 JJCDMO CCOC(=O)c1c(NC(=O)C[N@@H+]2CCCC3(CCOCC3)C2)sc(C)c1-c1ccccc1 ZINC001460037780 1067536160 /nfs/dbraw/zinc/53/61/60/1067536160.db2.gz IMUVJRFDRAYRRA-UHFFFAOYSA-N 1 1 456.608 4.731 20 10 JJCDMO CCOC(=O)c1c(NC(=O)C[N@H+]2CCCC3(CCOCC3)C2)sc(C)c1-c1ccccc1 ZINC001460037780 1067536165 /nfs/dbraw/zinc/53/61/65/1067536165.db2.gz IMUVJRFDRAYRRA-UHFFFAOYSA-N 1 1 456.608 4.731 20 10 JJCDMO COC[C@]1(C(=O)OC(C)(C)C)CC[N@H+](CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC001460610155 1067670726 /nfs/dbraw/zinc/67/07/26/1067670726.db2.gz WXYHSUSJIFSPCJ-VWLOTQADSA-N 1 1 452.555 4.721 20 10 JJCDMO COC[C@]1(C(=O)OC(C)(C)C)CC[N@@H+](CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC001460610155 1067670728 /nfs/dbraw/zinc/67/07/28/1067670728.db2.gz WXYHSUSJIFSPCJ-VWLOTQADSA-N 1 1 452.555 4.721 20 10 JJCDMO COC(=O)c1c(Cl)cc(F)cc1NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC001461490047 1067874183 /nfs/dbraw/zinc/87/41/83/1067874183.db2.gz VOQRPZBVOLIPSJ-UHFFFAOYSA-N 1 1 457.933 4.626 20 10 JJCDMO COc1ccc(C[N@H+]2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)c(O)c1OC ZINC001461988686 1067976097 /nfs/dbraw/zinc/97/60/97/1067976097.db2.gz WVDHUGSNYMACJL-UHFFFAOYSA-N 1 1 451.498 4.751 20 10 JJCDMO Cc1cc(C(=O)NCC[N@H+]2CCc3ccccc3C2)c(C)n1-c1ccc(Br)cc1 ZINC001464013049 1068588809 /nfs/dbraw/zinc/58/88/09/1068588809.db2.gz CPWGQHGLRRHLFF-UHFFFAOYSA-N 1 1 452.396 4.645 20 10 JJCDMO CC[N@@H+](Cc1ccc(I)s1)Cc1cc(Br)ccc1O ZINC001461923082 1067961785 /nfs/dbraw/zinc/96/17/85/1067961785.db2.gz AINIDHFWGKYDDA-UHFFFAOYSA-N 1 1 452.155 4.843 20 10 JJCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2ccc(Br)c(F)c2)C1 ZINC001360244964 1065097223 /nfs/dbraw/zinc/09/72/23/1065097223.db2.gz CUYFPHDHVFNCGI-UHFFFAOYSA-N 1 1 458.375 4.626 20 10 JJCDMO Cc1cc(-c2nnc(N(C)CCC(C)C)n2CC[N@@H+]2CCOCC2(C)C)c(C)n1-c1ccccc1 ZINC001361045947 1066272914 /nfs/dbraw/zinc/27/29/14/1066272914.db2.gz PKIWBTXTBSGXAB-UHFFFAOYSA-N 1 1 478.685 4.946 20 10 JJCDMO Cc1cc(-c2nnc(N(C)CCC(C)C)n2CC[N@H+]2CCOCC2(C)C)c(C)n1-c1ccccc1 ZINC001361045947 1066272933 /nfs/dbraw/zinc/27/29/33/1066272933.db2.gz PKIWBTXTBSGXAB-UHFFFAOYSA-N 1 1 478.685 4.946 20 10 JJCDMO Cc1cc(-c2nnc(N(C)CC(C)(C)C)n2CC[N@H+]2CCOC[C@H]2C)c(C)n1-c1ccccc1 ZINC001361045966 1066273200 /nfs/dbraw/zinc/27/32/00/1066273200.db2.gz QHFHGPZWBUQKMS-OAQYLSRUSA-N 1 1 464.658 4.556 20 10 JJCDMO Cc1cc(-c2nnc(N(C)CC(C)(C)C)n2CC[N@@H+]2CCOC[C@H]2C)c(C)n1-c1ccccc1 ZINC001361045966 1066273213 /nfs/dbraw/zinc/27/32/13/1066273213.db2.gz QHFHGPZWBUQKMS-OAQYLSRUSA-N 1 1 464.658 4.556 20 10 JJCDMO Cc1cc(C(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(Cl)cc1 ZINC001444512129 1066471007 /nfs/dbraw/zinc/47/10/07/1066471007.db2.gz VJKGTRLILMZIPH-LJQANCHMSA-N 1 1 451.014 4.688 20 10 JJCDMO Cc1cc(-c2csc(NC(=O)CCCC[NH+]3CCOCC3)n2)c(C)n1-c1ccc(F)cc1 ZINC001457526489 1066851754 /nfs/dbraw/zinc/85/17/54/1066851754.db2.gz IOOOAKFZCCDVNS-UHFFFAOYSA-N 1 1 456.587 4.798 20 10 JJCDMO CCCC[N@H+](CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)[C@@H](C)c1ccc(C)o1 ZINC001459468377 1067332213 /nfs/dbraw/zinc/33/22/13/1067332213.db2.gz ZUFZGXYLMXDIGM-ACRUOGEOSA-N 1 1 459.606 4.820 20 10 JJCDMO CCCC[N@@H+](CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)[C@@H](C)c1ccc(C)o1 ZINC001459468377 1067332227 /nfs/dbraw/zinc/33/22/27/1067332227.db2.gz ZUFZGXYLMXDIGM-ACRUOGEOSA-N 1 1 459.606 4.820 20 10 JJCDMO O=C(C[N@@H+]1CCCCC[C@H]1c1ccc(Cl)cc1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001459495523 1067338660 /nfs/dbraw/zinc/33/86/60/1067338660.db2.gz ZBWYRTXTZXOLPM-QHCPKHFHSA-N 1 1 459.993 4.549 20 10 JJCDMO O=C(C[N@H+]1CCCCC[C@H]1c1ccc(Cl)cc1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001459495523 1067338674 /nfs/dbraw/zinc/33/86/74/1067338674.db2.gz ZBWYRTXTZXOLPM-QHCPKHFHSA-N 1 1 459.993 4.549 20 10 JJCDMO CCC[N@@H+](Cc1ccccc1O)[C@@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C)C2 ZINC001459558547 1067350658 /nfs/dbraw/zinc/35/06/58/1067350658.db2.gz WLZYUCLVNVRCCR-SJORKVTESA-N 1 1 458.624 4.994 20 10 JJCDMO CCOC(=O)c1c(NC(=O)C[N@@H+](CCOC)[C@H]2CC[C@H](C)C2)sc(C)c1-c1ccccc1 ZINC001460041900 1067537095 /nfs/dbraw/zinc/53/70/95/1067537095.db2.gz YAIUHHXYTUYITA-PXNSSMCTSA-N 1 1 458.624 4.976 20 10 JJCDMO COC[C@@]1(C(=O)OC(C)(C)C)CC[N@H+](CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC001460610153 1067670831 /nfs/dbraw/zinc/67/08/31/1067670831.db2.gz WXYHSUSJIFSPCJ-RUZDIDTESA-N 1 1 452.555 4.721 20 10 JJCDMO COC[C@@]1(C(=O)OC(C)(C)C)CC[N@@H+](CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC001460610153 1067670833 /nfs/dbraw/zinc/67/08/33/1067670833.db2.gz WXYHSUSJIFSPCJ-RUZDIDTESA-N 1 1 452.555 4.721 20 10 JJCDMO Cc1cc(Br)ccc1CNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC001435180518 1064572077 /nfs/dbraw/zinc/57/20/77/1064572077.db2.gz LEHQEAIPZXHREC-UHFFFAOYSA-N 1 1 454.412 4.795 20 10 JJCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCCOc2ccccc2C(F)(F)F)C1 ZINC001359922676 1064650601 /nfs/dbraw/zinc/65/06/01/1064650601.db2.gz GFOACRKGMLAUEC-UHFFFAOYSA-N 1 1 459.512 4.622 20 10 JJCDMO COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)c(Cl)c3)ccc21 ZINC001360643847 1065718281 /nfs/dbraw/zinc/71/82/81/1065718281.db2.gz CTPVLASFBLOTMP-UHFFFAOYSA-N 1 1 455.002 4.562 20 10 JJCDMO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC001441358979 1066034081 /nfs/dbraw/zinc/03/40/81/1066034081.db2.gz WVYHEHCYVPNHOF-OAQYLSRUSA-N 1 1 457.618 4.997 20 10 JJCDMO Cc1cc(-c2nnc(N(C)CC(C)(C)C)n2C[C@H]2CCC[N@H+]2CCCO)c(C)n1-c1ccccc1 ZINC001361045884 1066272390 /nfs/dbraw/zinc/27/23/90/1066272390.db2.gz MZBGNWBQRPVBJS-XMMPIXPASA-N 1 1 478.685 4.682 20 10 JJCDMO Cc1cc(N(C)C)ccc1Cn1c(Cc2ccsc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001361097939 1066348326 /nfs/dbraw/zinc/34/83/26/1066348326.db2.gz MJJUZKIYXZKUPF-UHFFFAOYSA-N 1 1 466.699 4.664 20 10 JJCDMO O=C(CCc1ccccc1OC(F)(F)F)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001445883996 1066630372 /nfs/dbraw/zinc/63/03/72/1066630372.db2.gz OXNDHBORJKVARR-GOSISDBHSA-N 1 1 456.892 4.658 20 10 JJCDMO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1cccnc1Sc1ccccc1 ZINC001445888923 1066631221 /nfs/dbraw/zinc/63/12/21/1066631221.db2.gz XGLBPSQSUIIQFK-IBGZPJMESA-N 1 1 453.995 4.986 20 10 JJCDMO Cc1c(C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+](Cc2ccccc2O)C2CCCC2)cnn1C ZINC001461987582 1067975935 /nfs/dbraw/zinc/97/59/35/1067975935.db2.gz QLEFKMLKICQDHT-HXUWFJFHSA-N 1 1 456.631 4.562 20 10 JJCDMO Cc1c(C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+](Cc2ccccc2O)C2CCCC2)cnn1C ZINC001461987576 1067975997 /nfs/dbraw/zinc/97/59/97/1067975997.db2.gz QLEFKMLKICQDHT-FQEVSTJZSA-N 1 1 456.631 4.562 20 10 JJCDMO Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC001435258021 1064634311 /nfs/dbraw/zinc/63/43/11/1064634311.db2.gz PNFLIGSZZWYJGS-IBGZPJMESA-N 1 1 451.014 4.688 20 10 JJCDMO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC001444305625 1066446047 /nfs/dbraw/zinc/44/60/47/1066446047.db2.gz WXXKGPAJEUVXTC-PIKZIKFNSA-N 1 1 457.618 4.961 20 10 JJCDMO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1ccc(Cl)cc1Br ZINC001445883181 1066630482 /nfs/dbraw/zinc/63/04/82/1066630482.db2.gz MQWPJCPITGOZCJ-OAHLLOKOSA-N 1 1 458.183 4.856 20 10 JJCDMO Cc1ccc(Cc2nc(C(=O)N[C@@H]3CCC[N@H+](Cc4cc(Cl)ccc4O)C3)cs2)cc1 ZINC001445887878 1066631237 /nfs/dbraw/zinc/63/12/37/1066631237.db2.gz VRHWRELJQHNUGK-HXUWFJFHSA-N 1 1 456.011 4.796 20 10 JJCDMO Cc1ccc(Cc2nc(C(=O)N[C@@H]3CCC[N@@H+](Cc4cc(Cl)ccc4O)C3)cs2)cc1 ZINC001445887878 1066631241 /nfs/dbraw/zinc/63/12/41/1066631241.db2.gz VRHWRELJQHNUGK-HXUWFJFHSA-N 1 1 456.011 4.796 20 10 JJCDMO O=C(CCC(=O)c1ccc2ccccc2c1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC001445889894 1066631824 /nfs/dbraw/zinc/63/18/24/1066631824.db2.gz ZZQXFTHEQSZUNM-HSZRJFAPSA-N 1 1 450.966 4.943 20 10 JJCDMO O=C(CCC(=O)c1ccc2ccccc2c1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001445889894 1066631828 /nfs/dbraw/zinc/63/18/28/1066631828.db2.gz ZZQXFTHEQSZUNM-HSZRJFAPSA-N 1 1 450.966 4.943 20 10 JJCDMO O=C(C[N@H+](Cc1ccccc1O)C1CCCC1)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC001459471471 1067333554 /nfs/dbraw/zinc/33/35/54/1067333554.db2.gz ZLAPEIMBOYNGLG-XMMPIXPASA-N 1 1 456.030 4.744 20 10 JJCDMO O=C(C[N@H+](Cc1ccccc1O)C1CCCC1)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC001459471470 1067333890 /nfs/dbraw/zinc/33/38/90/1067333890.db2.gz ZLAPEIMBOYNGLG-DEOSSOPVSA-N 1 1 456.030 4.744 20 10 JJCDMO COc1ccc(N2CCN(C[C@@H](C[N@@H+](C)Cc3ccccc3)c3ccccc3)CC2)c(OC)c1 ZINC001460651578 1067687246 /nfs/dbraw/zinc/68/72/46/1067687246.db2.gz NNAKQFMISMUROU-AREMUKBSSA-N 1 1 459.634 4.742 20 10 JJCDMO Cc1cc(Br)c(O)c(C[NH+]2CCC([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c1 ZINC001462316309 1068050255 /nfs/dbraw/zinc/05/02/55/1068050255.db2.gz PLRPZUGBJPIHBS-QGZVFWFLSA-N 1 1 453.421 4.932 20 10 JJCDMO C[N@H+](Cc1ccc(N2CCCCC2)c(Br)c1)C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC001462614716 1068112390 /nfs/dbraw/zinc/11/23/90/1068112390.db2.gz XRXFQAHOMOVFBJ-SFHVURJKSA-N 1 1 452.437 4.881 20 10 JJCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccccc2SC(=O)N(C)C)C1 ZINC001435039678 1064456400 /nfs/dbraw/zinc/45/64/00/1064456400.db2.gz FRQYSDICIRMTEL-UHFFFAOYSA-N 1 1 450.608 4.820 20 10 JJCDMO CCOC(=O)c1cc(F)c(F)cc1NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC001360211971 1065081864 /nfs/dbraw/zinc/08/18/64/1065081864.db2.gz MKYODVZEQAQONR-UHFFFAOYSA-N 1 1 455.505 4.501 20 10 JJCDMO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)n1-c1ccc(Br)cc1 ZINC001440702605 1065967867 /nfs/dbraw/zinc/96/78/67/1065967867.db2.gz DWLCYYYTWTXCRP-OAQYLSRUSA-N 1 1 452.396 4.861 20 10 JJCDMO Cc1cc(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC001442922068 1066240856 /nfs/dbraw/zinc/24/08/56/1066240856.db2.gz LTOPCRILDAENDM-HSZRJFAPSA-N 1 1 458.606 4.661 20 10 JJCDMO O=C(CCc1ccccc1OC(F)(F)F)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001445884000 1066630424 /nfs/dbraw/zinc/63/04/24/1066630424.db2.gz OXNDHBORJKVARR-SFHVURJKSA-N 1 1 456.892 4.658 20 10 JJCDMO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC001445887757 1066631144 /nfs/dbraw/zinc/63/11/44/1066631144.db2.gz VLYXJIDIFCNFQE-IBGZPJMESA-N 1 1 452.904 4.877 20 10 JJCDMO COc1ccc([C@@H](NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)C(F)(F)F)cc1 ZINC001458233527 1067008969 /nfs/dbraw/zinc/00/89/69/1067008969.db2.gz VHQGROZIAITLLY-XMMPIXPASA-N 1 1 459.512 4.836 20 10 JJCDMO COc1cccc(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)c1Br ZINC001459317983 1067293231 /nfs/dbraw/zinc/29/32/31/1067293231.db2.gz AZBBDDGXNGJDQN-UHFFFAOYSA-N 1 1 456.384 4.818 20 10 JJCDMO COc1ccc(N2CCC[N@@H+](Cc3ccnc(-c4ccc(Br)cc4)n3)CC2)cc1 ZINC001459350306 1067300800 /nfs/dbraw/zinc/30/08/00/1067300800.db2.gz NCWYDOULWBBBSI-UHFFFAOYSA-N 1 1 453.384 4.627 20 10 JJCDMO Oc1ccccc1C[N@H+](C[C@H](O)COc1ccc(Cl)cc1Br)C1CCCC1 ZINC001459465551 1067331491 /nfs/dbraw/zinc/33/14/91/1067331491.db2.gz HXIWJOIITNKSIJ-SFHVURJKSA-N 1 1 454.792 4.993 20 10 JJCDMO O=C(C[N@@H+]1CCCCC[C@@H]1c1ccc(Cl)cc1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001459495489 1067338555 /nfs/dbraw/zinc/33/85/55/1067338555.db2.gz ZBWYRTXTZXOLPM-HSZRJFAPSA-N 1 1 459.993 4.549 20 10 JJCDMO O=C(C[N@H+]1CCCCC[C@@H]1c1ccc(Cl)cc1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001459495489 1067338566 /nfs/dbraw/zinc/33/85/66/1067338566.db2.gz ZBWYRTXTZXOLPM-HSZRJFAPSA-N 1 1 459.993 4.549 20 10 JJCDMO Cc1ccc([C@@H]2CCCC[N@@H+]2CC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)cc1 ZINC001459542713 1067348078 /nfs/dbraw/zinc/34/80/78/1067348078.db2.gz PSWAIRUUWVNJCK-BKSPAHHJSA-N 1 1 453.602 4.591 20 10 JJCDMO CCC(CC)(CNC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2)C(=O)OC(C)(C)C ZINC001461059638 1067772569 /nfs/dbraw/zinc/77/25/69/1067772569.db2.gz DGDREEQNXKXAIO-UHFFFAOYSA-N 1 1 455.643 4.672 20 10 JJCDMO COc1ccc(-n2c(C)cc(C[N@H+](C)Cc3ccc(NC(=O)OC(C)(C)C)nn3)c2C)cc1 ZINC001461860511 1067949238 /nfs/dbraw/zinc/94/92/38/1067949238.db2.gz GKFKUBXCVJLEDQ-UHFFFAOYSA-N 1 1 451.571 4.872 20 10 JJCDMO COc1ccc(-n2c(C)cc(C[N@@H+](C)Cc3ccc(NC(=O)OC(C)(C)C)nn3)c2C)cc1 ZINC001461860511 1067949245 /nfs/dbraw/zinc/94/92/45/1067949245.db2.gz GKFKUBXCVJLEDQ-UHFFFAOYSA-N 1 1 451.571 4.872 20 10 JJCDMO CCOC(=O)c1nn(-c2ccccc2)cc1C[N@H+](CC)Cc1cc(Br)ccc1O ZINC001461928528 1067962768 /nfs/dbraw/zinc/96/27/68/1067962768.db2.gz STQDTKYNBPWFTR-UHFFFAOYSA-N 1 1 458.356 4.539 20 10 JJCDMO CCOC(=O)c1nn(-c2ccccc2)cc1C[N@@H+](CC)Cc1cc(Br)ccc1O ZINC001461928528 1067962773 /nfs/dbraw/zinc/96/27/73/1067962773.db2.gz STQDTKYNBPWFTR-UHFFFAOYSA-N 1 1 458.356 4.539 20 10 JJCDMO Oc1cc(F)c(F)cc1C[NH+]1CCC(c2nc(-c3ccccc3Br)no2)CC1 ZINC001462194609 1068026589 /nfs/dbraw/zinc/02/65/89/1068026589.db2.gz XLQHWPIDYUXMET-UHFFFAOYSA-N 1 1 450.283 4.863 20 10 JJCDMO COc1ccc(Br)c(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)c1 ZINC001434982386 1064398839 /nfs/dbraw/zinc/39/88/39/1064398839.db2.gz VDJZFFHTBZLOFP-UHFFFAOYSA-N 1 1 456.384 4.818 20 10 JJCDMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3cccnc3)n2CCCSc2nccs2)CC1 ZINC001360094979 1064967985 /nfs/dbraw/zinc/96/79/85/1064967985.db2.gz RUMCXFKSQYOROT-UHFFFAOYSA-N 1 1 471.700 4.536 20 10 JJCDMO COC(=O)c1cc(Cl)cc(C)c1NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC001438980447 1065774233 /nfs/dbraw/zinc/77/42/33/1065774233.db2.gz LMKHMMDACOYANR-UHFFFAOYSA-N 1 1 453.970 4.795 20 10 JJCDMO Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)c1 ZINC001441491762 1066046365 /nfs/dbraw/zinc/04/63/65/1066046365.db2.gz HALJHOMNAZXTQD-OAQYLSRUSA-N 1 1 451.014 4.688 20 10 JJCDMO Cc1cc(-c2nnc(N(C)CCC(F)F)n2CC[N@@H+]2CC=CCC2)c(C)n1-c1ccccc1 ZINC001361046041 1066273661 /nfs/dbraw/zinc/27/36/61/1066273661.db2.gz SKHNSJZFLOUWFZ-UHFFFAOYSA-N 1 1 454.569 4.706 20 10 JJCDMO COc1cc(NC(=O)C[N@@H+](Cc2ccccc2O)[C@H](C)c2ccccc2)cc(OC)c1OC ZINC001459779079 1067417812 /nfs/dbraw/zinc/41/78/12/1067417812.db2.gz KYDOIXHUXQRFNX-GOSISDBHSA-N 1 1 450.535 4.620 20 10 JJCDMO CCC(C)(C)c1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)cc1 ZINC001463148589 1068303014 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BTDYYKYJXMAHHY-CQSZACIVSA-N 1 1 456.755 4.632 20 10 JJCDMO NC(=O)C[C@H]([NH2+]Cc1ccc(N2CCCCC2)c(Br)c1)c1ccccc1Cl ZINC001461396829 1067845828 /nfs/dbraw/zinc/84/58/28/1067845828.db2.gz DCYPIYFIYPAALG-IBGZPJMESA-N 1 1 450.808 4.799 20 10 JJCDMO COc1cc(Cl)cc(C[N@@H+]2C[C@@H](c3ccccc3F)[C@H](NC(=O)OC(C)(C)C)C2)c1O ZINC001462340115 1068054496 /nfs/dbraw/zinc/05/44/96/1068054496.db2.gz PGKNHIXDUWNEOX-PKOBYXMFSA-N 1 1 450.938 4.686 20 10 JJCDMO Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC001435258022 1064634197 /nfs/dbraw/zinc/63/41/97/1064634197.db2.gz PNFLIGSZZWYJGS-LJQANCHMSA-N 1 1 451.014 4.688 20 10 JJCDMO Cc1cc(-c2nnc(N(C)CC(C)(C)C)n2C[C@@H](C)[NH+]2CCOCC2)c(C)n1-c1ccccc1 ZINC001361046076 1066273924 /nfs/dbraw/zinc/27/39/24/1066273924.db2.gz UKAOSLSAPIRNSK-OAQYLSRUSA-N 1 1 464.658 4.556 20 10 JJCDMO Cc1cc(-c2nnc(N3CCCO[C@H](C)C3)n2CCC[N@H+](C)C(C)C)c(C)n1-c1ccccc1 ZINC001361049734 1066283213 /nfs/dbraw/zinc/28/32/13/1066283213.db2.gz OEWNFVUOPNVIOZ-JOCHJYFZSA-N 1 1 464.658 4.698 20 10 JJCDMO COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1 ZINC001443636965 1066342003 /nfs/dbraw/zinc/34/20/03/1066342003.db2.gz SPLCGYGTMCLCEE-DEOSSOPVSA-N 1 1 458.606 4.602 20 10 JJCDMO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)c1 ZINC001455806019 1066434501 /nfs/dbraw/zinc/43/45/01/1066434501.db2.gz FMQJDIINSOODBG-DNQXCXABSA-N 1 1 469.507 4.699 20 10 JJCDMO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)c1 ZINC001455806019 1066434508 /nfs/dbraw/zinc/43/45/08/1066434508.db2.gz FMQJDIINSOODBG-DNQXCXABSA-N 1 1 469.507 4.699 20 10 JJCDMO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC001445887788 1066631069 /nfs/dbraw/zinc/63/10/69/1066631069.db2.gz VLYXJIDIFCNFQE-LJQANCHMSA-N 1 1 452.904 4.877 20 10 JJCDMO CC(C)(C)c1ccc([C@@H](O)CCC(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)cc1 ZINC001445889877 1066631908 /nfs/dbraw/zinc/63/19/08/1066631908.db2.gz ZYLUJXGEHPGJGD-GOTSBHOMSA-N 1 1 459.030 4.938 20 10 JJCDMO CC(C)[N@@H+](CC(=O)Nc1ccccc1C(=O)NCc1ccccc1)Cc1ccc(N(C)C)cc1 ZINC001459339175 1067298369 /nfs/dbraw/zinc/29/83/69/1067298369.db2.gz YZQIVZUPSXPESH-UHFFFAOYSA-N 1 1 458.606 4.532 20 10 JJCDMO CCCC[N@H+](CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)[C@H](C)c1ccc(C)o1 ZINC001459468380 1067332515 /nfs/dbraw/zinc/33/25/15/1067332515.db2.gz ZUFZGXYLMXDIGM-QHAWAJNXSA-N 1 1 459.606 4.820 20 10 JJCDMO CCCC[N@@H+](CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)[C@H](C)c1ccc(C)o1 ZINC001459468380 1067332532 /nfs/dbraw/zinc/33/25/32/1067332532.db2.gz ZUFZGXYLMXDIGM-QHAWAJNXSA-N 1 1 459.606 4.820 20 10 JJCDMO C[N@H+](Cc1ccc(N2CCCCC2)c(Br)c1)C[C@H]1CCN1C(=O)OC(C)(C)C ZINC001462614707 1068112204 /nfs/dbraw/zinc/11/22/04/1068112204.db2.gz XRXFQAHOMOVFBJ-GOSISDBHSA-N 1 1 452.437 4.881 20 10 JJCDMO Cc1cc(C(=O)NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)c(C)n1-c1cc(C)cc(C)c1 ZINC001464095191 1068613304 /nfs/dbraw/zinc/61/33/04/1068613304.db2.gz DOOAEOJWIJIKRJ-MUUNZHRXSA-N 1 1 458.650 4.820 20 10 JJCDMO Cc1cc(C(=O)NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c(C)n1-c1cc(C)cc(C)c1 ZINC001464095191 1068613314 /nfs/dbraw/zinc/61/33/14/1068613314.db2.gz DOOAEOJWIJIKRJ-MUUNZHRXSA-N 1 1 458.650 4.820 20 10 JJCDMO Cc1cc(C(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)c(C)n1-c1cc(C)cc(C)c1 ZINC001464095191 1068613325 /nfs/dbraw/zinc/61/33/25/1068613325.db2.gz DOOAEOJWIJIKRJ-MUUNZHRXSA-N 1 1 458.650 4.820 20 10 JJCDMO Cc1cc(C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c(C)n1-c1ccc(C(C)C)cc1 ZINC001464459632 1068754461 /nfs/dbraw/zinc/75/44/61/1068754461.db2.gz HGEUXSFWIQDLOQ-UHFFFAOYSA-N 1 1 458.606 4.857 20 10 JJCDMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H]3CCCCO3)n2CCCSc2nccs2)CC1 ZINC001360094711 1064966923 /nfs/dbraw/zinc/96/69/23/1064966923.db2.gz JVLQBEOCOULCOE-HXUWFJFHSA-N 1 1 478.732 4.715 20 10 JJCDMO COc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(C)c(-n4c(C)cc(C=O)c4C)c3)CC2)cc1 ZINC001440869495 1065986212 /nfs/dbraw/zinc/98/62/12/1065986212.db2.gz CCGRCAKMVKROKB-UHFFFAOYSA-N 1 1 459.590 4.572 20 10 JJCDMO Cc1cc(-c2nnc(N3CCSC[C@@H]3C)n2CC[N@H+](C)C(C)C)c(C)n1-c1ccccc1 ZINC001361052676 1066287642 /nfs/dbraw/zinc/28/76/42/1066287642.db2.gz VUXZDINDKBEKBM-FQEVSTJZSA-N 1 1 452.672 4.635 20 10 JJCDMO O=C(CCOc1ccc(Cl)c(Cl)c1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001445888081 1066631008 /nfs/dbraw/zinc/63/10/08/1066631008.db2.gz XFLJNQYIYBVEME-INIZCTEOSA-N 1 1 457.785 4.902 20 10 JJCDMO O=C(CCC(=O)c1ccc2ccccc2c1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC001445889899 1066631758 /nfs/dbraw/zinc/63/17/58/1066631758.db2.gz ZZQXFTHEQSZUNM-QHCPKHFHSA-N 1 1 450.966 4.943 20 10 JJCDMO O=C(CCC(=O)c1ccc2ccccc2c1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001445889899 1066631760 /nfs/dbraw/zinc/63/17/60/1066631760.db2.gz ZZQXFTHEQSZUNM-QHCPKHFHSA-N 1 1 450.966 4.943 20 10 JJCDMO Cc1cc(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)c(C)n1-c1ccc(Br)cn1 ZINC001448569149 1066939733 /nfs/dbraw/zinc/93/97/33/1066939733.db2.gz HUUXQNSWLMKZIS-HXUWFJFHSA-N 1 1 459.432 4.779 20 10 JJCDMO COc1ccc([C@H](NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)C(F)(F)F)cc1 ZINC001458233525 1067009061 /nfs/dbraw/zinc/00/90/61/1067009061.db2.gz VHQGROZIAITLLY-DEOSSOPVSA-N 1 1 459.512 4.836 20 10 JJCDMO CCC[N@@H+](CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)[C@H](CC)c1ccccc1 ZINC001459369203 1067304873 /nfs/dbraw/zinc/30/48/73/1067304873.db2.gz MGCQMEWGRPEOJL-TYBLODHISA-N 1 1 455.618 4.919 20 10 JJCDMO CCC[N@@H+](Cc1ccccc1O)[C@@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C)C2 ZINC001459558545 1067350812 /nfs/dbraw/zinc/35/08/12/1067350812.db2.gz WLZYUCLVNVRCCR-IRXDYDNUSA-N 1 1 458.624 4.994 20 10 JJCDMO COC(=O)[C@H](c1cccc(Cl)c1)N1CC[NH+](Cc2ccc(N3CCCCC3)c(C)c2)CC1 ZINC001459673921 1067379892 /nfs/dbraw/zinc/37/98/92/1067379892.db2.gz VWVOGNDXIJVGQV-VWLOTQADSA-N 1 1 456.030 4.671 20 10 JJCDMO C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC001459713175 1067392493 /nfs/dbraw/zinc/39/24/93/1067392493.db2.gz ANFLCSYFGXMBPC-QGZVFWFLSA-N 1 1 459.516 4.700 20 10 JJCDMO COc1ccc(N2CCN(C[C@H](C[N@@H+](C)Cc3ccccc3)c3ccccc3)CC2)c(OC)c1 ZINC001460651582 1067687225 /nfs/dbraw/zinc/68/72/25/1067687225.db2.gz NNAKQFMISMUROU-SANMLTNESA-N 1 1 459.634 4.742 20 10 JJCDMO CC[N@@H+](Cc1ccc(C(=O)OC)c(Br)c1)Cc1cc(Br)ccc1O ZINC001461925437 1067962266 /nfs/dbraw/zinc/96/22/66/1067962266.db2.gz HFPYMHMWFAKROX-UHFFFAOYSA-N 1 1 457.162 4.726 20 10 JJCDMO Cc1cc(Br)c(O)c(C[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)c1 ZINC001461929704 1067962829 /nfs/dbraw/zinc/96/28/29/1067962829.db2.gz XUMHKYMAGUFMDT-UHFFFAOYSA-N 1 1 453.764 4.673 20 10 JJCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(N2CCCCC2)c(Br)c1 ZINC001462006311 1067979065 /nfs/dbraw/zinc/97/90/65/1067979065.db2.gz BXIJCQNUEFQHFM-UHFFFAOYSA-N 1 1 458.444 4.908 20 10 JJCDMO Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3C)CCO2)c1 ZINC001462258698 1068040081 /nfs/dbraw/zinc/04/00/81/1068040081.db2.gz JUUYTKXMOPOHPI-QHCPKHFHSA-N 1 1 451.998 4.687 20 10 JJCDMO Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3C)CCO2)c1 ZINC001462258698 1068040093 /nfs/dbraw/zinc/04/00/93/1068040093.db2.gz JUUYTKXMOPOHPI-QHCPKHFHSA-N 1 1 451.998 4.687 20 10 JJCDMO COc1ccc([C@@H]2C[N@H+](Cc3cc(F)c(N(C)C)cc3F)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001462518005 1068090176 /nfs/dbraw/zinc/09/01/76/1068090176.db2.gz IVIGJFCKWPXPAN-SIKLNZKXSA-N 1 1 461.553 4.532 20 10 JJCDMO COc1ccc([C@@H]2C[N@@H+](Cc3cc(F)c(N(C)C)cc3F)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001462518005 1068090187 /nfs/dbraw/zinc/09/01/87/1068090187.db2.gz IVIGJFCKWPXPAN-SIKLNZKXSA-N 1 1 461.553 4.532 20 10 JJCDMO COc1ccc(O)c(C[N@H+]2Cc3ccccc3OC3(CCN(C(=O)OC(C)(C)C)CC3)C2)c1 ZINC001462614749 1068112058 /nfs/dbraw/zinc/11/20/58/1068112058.db2.gz WKEQXVXQFBCSRF-UHFFFAOYSA-N 1 1 454.567 4.565 20 10 JJCDMO COC(=O)c1cc(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)ccc1SC ZINC001462854282 1068191796 /nfs/dbraw/zinc/19/17/96/1068191796.db2.gz GPNLUGAWZVRBQJ-UHFFFAOYSA-N 1 1 451.592 4.555 20 10 JJCDMO