smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(Br)c(Cl)cc1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC001545864774 1064272463 /nfs/dbraw/zinc/27/24/63/1064272463.db2.gz CFCSJNTYFCSIFU-UHFFFAOYSA-N 1 2 452.780 4.817 20 0 JJADLO CC(C)[C@@H]1CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001359737808 1064300427 /nfs/dbraw/zinc/30/04/27/1064300427.db2.gz GVKRVIVRMGZNHY-VWLOTQADSA-N 1 2 496.744 4.805 20 0 JJADLO CC(C)[C@@H]1CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001359737808 1064300445 /nfs/dbraw/zinc/30/04/45/1064300445.db2.gz GVKRVIVRMGZNHY-VWLOTQADSA-N 1 2 496.744 4.805 20 0 JJADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1cc(-c2ccc(Br)cc2)ns1 ZINC001434868070 1064305973 /nfs/dbraw/zinc/30/59/73/1064305973.db2.gz QFLKISXFDJBPAV-UHFFFAOYSA-N 1 2 453.365 4.747 20 0 JJADLO CC(C)C1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001359745526 1064319716 /nfs/dbraw/zinc/31/97/16/1064319716.db2.gz LGPOBFAZTGBKCZ-UHFFFAOYSA-N 1 2 469.033 4.892 20 0 JJADLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 ZINC001435015218 1064432356 /nfs/dbraw/zinc/43/23/56/1064432356.db2.gz TVKXCSLPXWREPG-ZEQRLZLVSA-N 1 2 458.602 4.870 20 0 JJADLO CC(C)Cc1nnc(N(C)CCc2ccc(Br)cc2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001359783785 1064436126 /nfs/dbraw/zinc/43/61/26/1064436126.db2.gz JPRWDVABIVLKEP-UHFFFAOYSA-N 1 2 497.485 4.962 20 0 JJADLO Cc1ccc(F)c(Br)c1C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC001435050834 1064469375 /nfs/dbraw/zinc/46/93/75/1064469375.db2.gz BJRGDWGJBAPZMQ-UHFFFAOYSA-N 1 2 456.319 4.785 20 0 JJADLO CC(C)Cc1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001359822763 1064505275 /nfs/dbraw/zinc/50/52/75/1064505275.db2.gz HKHDXOMGFJWIJT-IFMALSPDSA-N 1 2 468.690 4.730 20 0 JJADLO CC(C)Cc1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001359865004 1064554825 /nfs/dbraw/zinc/55/48/25/1064554825.db2.gz UXJJKPXMTWYKFB-MHZLTWQESA-N 1 2 468.690 4.942 20 0 JJADLO CC(C)C[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001359885151 1064579791 /nfs/dbraw/zinc/57/97/91/1064579791.db2.gz WHGSODOQFOTGLS-FQEVSTJZSA-N 1 2 453.034 4.904 20 0 JJADLO CC(C)C[C@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001359887406 1064583315 /nfs/dbraw/zinc/58/33/15/1064583315.db2.gz UTJOFLFSGFYJGT-WOJBJXKFSA-N 1 2 478.106 4.817 20 0 JJADLO CC(C)C[C@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001359887406 1064583332 /nfs/dbraw/zinc/58/33/32/1064583332.db2.gz UTJOFLFSGFYJGT-WOJBJXKFSA-N 1 2 478.106 4.817 20 0 JJADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)Cc1csc2ccc(Br)cc12 ZINC001435216035 1064596720 /nfs/dbraw/zinc/59/67/20/1064596720.db2.gz OSVZYLAVFLHMNX-UHFFFAOYSA-N 1 2 459.409 4.986 20 0 JJADLO CC(C)CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001359911669 1064628348 /nfs/dbraw/zinc/62/83/48/1064628348.db2.gz VUSYPHPIUFKORG-IBGZPJMESA-N 1 2 464.054 4.665 20 0 JJADLO CO[C@@H](CNC(=O)[C@@H](c1cccc(Br)c1)[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC001435287340 1064664150 /nfs/dbraw/zinc/66/41/50/1064664150.db2.gz KEZPDEFRTQGEIW-VQTJNVASSA-N 1 2 451.792 4.743 20 0 JJADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1C[C@@]1(C)c1cccc(Br)c1 ZINC001435298491 1064674386 /nfs/dbraw/zinc/67/43/86/1064674386.db2.gz XDZYAJAMIPCCCC-QPPBQGQZSA-N 1 2 456.428 4.887 20 0 JJADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1C[C@]1(C)c1cccc(Br)c1 ZINC001435298494 1064674450 /nfs/dbraw/zinc/67/44/50/1064674450.db2.gz XDZYAJAMIPCCCC-XUZZJYLKSA-N 1 2 456.428 4.887 20 0 JJADLO CC(C)CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001359970872 1064746969 /nfs/dbraw/zinc/74/69/69/1064746969.db2.gz HJRNEIVRRSHUGS-LJQANCHMSA-N 1 2 495.416 4.719 20 0 JJADLO CC(C)CN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(N2CCCC2)[nH+]c1)C(C)C ZINC001359984591 1064762217 /nfs/dbraw/zinc/76/22/17/1064762217.db2.gz AYCMSMDGLRPYNK-UHFFFAOYSA-N 1 2 486.462 4.950 20 0 JJADLO CC(C)CN(c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC[N@@H+]1CCOC[C@@H]1C)C(C)C ZINC001359986070 1064766413 /nfs/dbraw/zinc/76/64/13/1064766413.db2.gz XTNNUKLQUGOPTK-PMACEKPBSA-N 1 2 459.704 4.723 20 0 JJADLO CC(C)CN(c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC[N@H+]1CCOC[C@@H]1C)C(C)C ZINC001359986070 1064766420 /nfs/dbraw/zinc/76/64/20/1064766420.db2.gz XTNNUKLQUGOPTK-PMACEKPBSA-N 1 2 459.704 4.723 20 0 JJADLO CC(C)CN(c1nnc(COc2ccc(Cl)cc2Cl)n1CC1([NH+]2CCOCC2)CC1)C(C)C ZINC001359993537 1064777285 /nfs/dbraw/zinc/77/72/85/1064777285.db2.gz WWDIJMOBMYNLBA-UHFFFAOYSA-N 1 2 496.483 4.900 20 0 JJADLO COc1ccc(-c2nc(C)c(C(=O)Nc3cccc([C@@H](C)[NH+]4CCOCC4)c3)s2)c(F)c1 ZINC001359997313 1064783027 /nfs/dbraw/zinc/78/30/27/1064783027.db2.gz VLKWVWAQCKMBRL-MRXNPFEDSA-N 1 2 455.555 4.912 20 0 JJADLO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3CCCC[C@H]3C2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001545892262 1064882893 /nfs/dbraw/zinc/88/28/93/1064882893.db2.gz QYAPDFLTWPPOBC-VXKWHMMOSA-N 1 2 481.689 4.503 20 0 JJADLO Cc1cccc(O[C@H](C)C(=O)N2CC[NH+](CCOC(c3ccccc3)c3ccccc3)CC2)c1 ZINC001435634125 1064895809 /nfs/dbraw/zinc/89/58/09/1064895809.db2.gz ZIGZEXMWICOYHH-XMMPIXPASA-N 1 2 458.602 4.713 20 0 JJADLO CC(C)CSCCn1c([C@H]2CCCCO2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001360086443 1064950531 /nfs/dbraw/zinc/95/05/31/1064950531.db2.gz YTNGNGZQPVMRQB-JOCHJYFZSA-N 1 2 478.106 4.885 20 0 JJADLO CC(C)CSCCn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001360086444 1064950556 /nfs/dbraw/zinc/95/05/56/1064950556.db2.gz YTNGNGZQPVMRQB-QFIPXVFZSA-N 1 2 478.106 4.885 20 0 JJADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)[C@@H]2CC[C@@H]2c2ccc(Cl)cc2F)c2ccc(Cl)cc2)C1 ZINC001435744750 1064968935 /nfs/dbraw/zinc/96/89/35/1064968935.db2.gz CLSWTVWNGOQOJR-CMCXCUNFSA-N 1 2 451.369 4.814 20 0 JJADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)[C@@H]2CC[C@@H]2c2ccc(Cl)cc2F)c2ccc(Cl)cc2)C1 ZINC001435744750 1064968954 /nfs/dbraw/zinc/96/89/54/1064968954.db2.gz CLSWTVWNGOQOJR-CMCXCUNFSA-N 1 2 451.369 4.814 20 0 JJADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)CCCCc2nc3ccccc3s2)c2ccc(Cl)cc2)C1 ZINC001435749585 1064973058 /nfs/dbraw/zinc/97/30/58/1064973058.db2.gz OTXRLUYYPUMPCQ-GBXCKJPGSA-N 1 2 458.027 4.851 20 0 JJADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)CCCCc2nc3ccccc3s2)c2ccc(Cl)cc2)C1 ZINC001435749585 1064973070 /nfs/dbraw/zinc/97/30/70/1064973070.db2.gz OTXRLUYYPUMPCQ-GBXCKJPGSA-N 1 2 458.027 4.851 20 0 JJADLO C[C@@H]1CCC[C@H](OCCCCCC(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)C1 ZINC001435751607 1064976492 /nfs/dbraw/zinc/97/64/92/1064976492.db2.gz WVQIHUDWSKQHCR-SRPRTCBCSA-N 1 2 451.051 4.984 20 0 JJADLO C[C@@H]1CCC[C@H](OCCCCCC(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001435751607 1064976505 /nfs/dbraw/zinc/97/65/05/1064976505.db2.gz WVQIHUDWSKQHCR-SRPRTCBCSA-N 1 2 451.051 4.984 20 0 JJADLO Cc1cccn2cc(CC(=O)N[C@H](CNC(=O)OC(C)(C)C)c3ccc4ccccc4c3)[nH+]c12 ZINC001435791747 1064992676 /nfs/dbraw/zinc/99/26/76/1064992676.db2.gz BPZBGEPUQGWRPQ-HSZRJFAPSA-N 1 2 458.562 4.721 20 0 JJADLO Cc1cc(Br)cn2cc(CCNC(=O)[C@@H](C)Sc3ccccc3Cl)[nH+]c12 ZINC001435847999 1065021169 /nfs/dbraw/zinc/02/11/69/1065021169.db2.gz MBYCQJZYFJBMLO-CYBMUJFWSA-N 1 2 452.805 4.898 20 0 JJADLO Cc1c(Br)scc1C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC001435847732 1065021565 /nfs/dbraw/zinc/02/15/65/1065021565.db2.gz JFANDLHWSOBHBP-UHFFFAOYSA-N 1 2 457.191 4.510 20 0 JJADLO C[C@@H](c1cccc(NC(=O)C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)c1)[NH+]1CCOCC1 ZINC001360179216 1065067788 /nfs/dbraw/zinc/06/77/88/1065067788.db2.gz ASHSLEBPZZXDOS-CVDCTZTESA-N 1 2 453.583 4.674 20 0 JJADLO C[C@H](c1cccc(NC(=O)C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)c1)[NH+]1CCOCC1 ZINC001360179218 1065067839 /nfs/dbraw/zinc/06/78/39/1065067839.db2.gz ASHSLEBPZZXDOS-XXBNENTESA-N 1 2 453.583 4.674 20 0 JJADLO Cc1cc(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)nn1-c1cccc(C(F)(F)F)c1 ZINC001360179342 1065067856 /nfs/dbraw/zinc/06/78/56/1065067856.db2.gz FUXLTBPFVWJTKK-QGZVFWFLSA-N 1 2 458.484 4.845 20 0 JJADLO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(C)C)C2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001545894370 1065075779 /nfs/dbraw/zinc/07/57/79/1065075779.db2.gz VKPCJCLCVZEUNF-QHCPKHFHSA-N 1 2 495.716 4.893 20 0 JJADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cc(C)n(-c3ccccc3Cl)n2)[C@@H](C)C1 ZINC001436018880 1065116573 /nfs/dbraw/zinc/11/65/73/1065116573.db2.gz HDHJMMBHKSNEDE-IBGZPJMESA-N 1 2 452.986 4.579 20 0 JJADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cc(C)n(-c3ccccc3Cl)n2)[C@@H](C)C1 ZINC001436018880 1065116583 /nfs/dbraw/zinc/11/65/83/1065116583.db2.gz HDHJMMBHKSNEDE-IBGZPJMESA-N 1 2 452.986 4.579 20 0 JJADLO C[C@@]1(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1(Br)Br ZINC001436064943 1065155751 /nfs/dbraw/zinc/15/57/51/1065155751.db2.gz KCNHQLSHDPFFBR-KRWDZBQOSA-N 1 2 453.178 4.721 20 0 JJADLO C[C@@H]1CCC[C@H](CNC(=O)c2cccnc2N2CC[NH+](Cc3cccc(Cl)c3)CC2)[C@@H]1C ZINC001436085089 1065170281 /nfs/dbraw/zinc/17/02/81/1065170281.db2.gz DQBMNMYHGPOAJH-KCZVDYSFSA-N 1 2 455.046 4.859 20 0 JJADLO CCCC[C@](C)(NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1cccc(Br)c1 ZINC001436130884 1065203807 /nfs/dbraw/zinc/20/38/07/1065203807.db2.gz PYYQESXDXFVPKY-UPVQGACJSA-N 1 2 459.428 4.872 20 0 JJADLO CCCC[C@](C)(NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cccc(Br)c1 ZINC001436130884 1065203818 /nfs/dbraw/zinc/20/38/18/1065203818.db2.gz PYYQESXDXFVPKY-UPVQGACJSA-N 1 2 459.428 4.872 20 0 JJADLO CCCC[C@@](C)(NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1cccc(Br)c1 ZINC001436130880 1065203840 /nfs/dbraw/zinc/20/38/40/1065203840.db2.gz PYYQESXDXFVPKY-ISKFKSNPSA-N 1 2 459.428 4.872 20 0 JJADLO CCCC[C@@](C)(NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cccc(Br)c1 ZINC001436130880 1065203847 /nfs/dbraw/zinc/20/38/47/1065203847.db2.gz PYYQESXDXFVPKY-ISKFKSNPSA-N 1 2 459.428 4.872 20 0 JJADLO CC(C)OCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001360385292 1065248048 /nfs/dbraw/zinc/24/80/48/1065248048.db2.gz BJMHUWFJAHYCOS-UHFFFAOYSA-N 1 2 462.642 4.779 20 0 JJADLO CC(C)(C)Cc1nc(-c2ccc(C(=O)N(CCn3cc[nH+]c3)C3CCSCC3)cc2)no1 ZINC001436213057 1065254995 /nfs/dbraw/zinc/25/49/95/1065254995.db2.gz FEMDGYOBGUYLIL-UHFFFAOYSA-N 1 2 453.612 4.560 20 0 JJADLO Cc1ccnc(-c2cccc(NC(=O)[C@@H](c3cccc(Br)c3)[NH+]3CCCC3)c2)n1 ZINC001360423900 1065292097 /nfs/dbraw/zinc/29/20/97/1065292097.db2.gz GJNBINHKNKFNSE-OAQYLSRUSA-N 1 2 451.368 4.990 20 0 JJADLO Cc1ccccc1-n1cc(C(=O)N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]2CC(C)C)nn1 ZINC001436522344 1065342080 /nfs/dbraw/zinc/34/20/80/1065342080.db2.gz XMCCYQMYVITHPW-QFIPXVFZSA-N 1 2 452.002 4.602 20 0 JJADLO Cc1ccccc1-n1cc(C(=O)N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@@H]2CC(C)C)nn1 ZINC001436522344 1065342100 /nfs/dbraw/zinc/34/21/00/1065342100.db2.gz XMCCYQMYVITHPW-QFIPXVFZSA-N 1 2 452.002 4.602 20 0 JJADLO CCCCCCc1ccc(-c2csc(NC(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)n2)cc1 ZINC001436526748 1065344708 /nfs/dbraw/zinc/34/47/08/1065344708.db2.gz WNSDYTVKCVHWON-GGAORHGYSA-N 1 2 457.640 4.751 20 0 JJADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1ccc(Br)c(OC(F)(F)F)c1 ZINC001436601991 1065394670 /nfs/dbraw/zinc/39/46/70/1065394670.db2.gz ZVJLQNBACMUHEH-UHFFFAOYSA-N 1 2 454.246 4.523 20 0 JJADLO CCn1c(SCC(=O)NCc2cc(C)[nH+]c(C)c2)nnc1-c1ccc(Cl)cc1Cl ZINC001436878492 1065462837 /nfs/dbraw/zinc/46/28/37/1065462837.db2.gz NGDFLYIBUOSOSY-UHFFFAOYSA-N 1 2 450.395 4.692 20 0 JJADLO C[C@H](CN(C)c1nnc(CC(C)(C)C)n1Cc1ccc(N2CCCC2)[nH+]c1)c1nccs1 ZINC001360527068 1065506763 /nfs/dbraw/zinc/50/67/63/1065506763.db2.gz ZFQSYLPHLPULKF-GOSISDBHSA-N 1 2 453.660 4.607 20 0 JJADLO COc1ccc2nc(NC(=O)CSc3nnc(C[NH+]4CCCCC4)n3-c3ccccc3)sc2c1 ZINC000022859997 1065514516 /nfs/dbraw/zinc/51/45/16/1065514516.db2.gz HKBWJWQKALZLLD-UHFFFAOYSA-N 1 2 494.646 4.602 20 0 JJADLO C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@@H](C)c1cccs1)[NH+]1CCOCC1 ZINC001360542252 1065531279 /nfs/dbraw/zinc/53/12/79/1065531279.db2.gz ZBIBKFJXOOCDSD-GJZGRUSLSA-N 1 2 496.500 4.749 20 0 JJADLO COc1cc(OC)c2c(c1)N(C(=O)[C@@H](c1cccc(Br)c1)[NH+]1CCCC1)CCC2 ZINC001437692172 1065591972 /nfs/dbraw/zinc/59/19/72/1065591972.db2.gz JFNXWBGIIJVIKW-JOCHJYFZSA-N 1 2 459.384 4.583 20 0 JJADLO C[C@H](NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)c1cc(F)c(Br)cc1F ZINC001437813370 1065613186 /nfs/dbraw/zinc/61/31/86/1065613186.db2.gz SYCZNVFDFZDYCT-ORAYPTAESA-N 1 2 455.368 4.695 20 0 JJADLO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(-c3ccccc3)n2CCCNc2cccc[nH+]2)C1 ZINC001360638958 1065705920 /nfs/dbraw/zinc/70/59/20/1065705920.db2.gz LPGAKNFTSAZLBL-UNMCSNQZSA-N 1 2 491.640 4.582 20 0 JJADLO CCc1ccc(C[NH+]2CCN(C(=O)c3ccc(Br)cc3C(F)(F)F)CC2)cc1 ZINC001438881829 1065761455 /nfs/dbraw/zinc/76/14/55/1065761455.db2.gz ALMZSJHTPQAIFE-UHFFFAOYSA-N 1 2 455.318 4.988 20 0 JJADLO C[C@H](NC(=O)[C@H](c1cccc(Br)c1)[NH+]1CCCC1)c1ccc(C(F)(F)F)nc1 ZINC001439036468 1065779362 /nfs/dbraw/zinc/77/93/62/1065779362.db2.gz COQSJOOUMXSPGI-UGSOOPFHSA-N 1 2 456.306 4.877 20 0 JJADLO Cc1ccc(C(=O)NCCN(Cc2ccccc2)c2cccc[nH+]2)cc1NC(=O)c1ccco1 ZINC001439110322 1065787508 /nfs/dbraw/zinc/78/75/08/1065787508.db2.gz NTUGINRAOVUIJT-UHFFFAOYSA-N 1 2 454.530 4.672 20 0 JJADLO C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CC2CC(F)(F)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001360754687 1065807524 /nfs/dbraw/zinc/80/75/24/1065807524.db2.gz ZDUVHMYRFGSRDC-KRWDZBQOSA-N 1 2 498.018 4.664 20 0 JJADLO C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CC2CC(F)(F)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001360754687 1065807544 /nfs/dbraw/zinc/80/75/44/1065807544.db2.gz ZDUVHMYRFGSRDC-KRWDZBQOSA-N 1 2 498.018 4.664 20 0 JJADLO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@H](C(C)(C)C)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001360756472 1065815254 /nfs/dbraw/zinc/81/52/54/1065815254.db2.gz VCTKULPGCNHHLC-HSALFYBXSA-N 1 2 476.065 4.665 20 0 JJADLO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@H](C(C)(C)C)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001360756472 1065815268 /nfs/dbraw/zinc/81/52/68/1065815268.db2.gz VCTKULPGCNHHLC-HSALFYBXSA-N 1 2 476.065 4.665 20 0 JJADLO CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(C(=O)c2ccc(NC(=O)OCC(F)(F)F)cc2)C1 ZINC001440171711 1065920065 /nfs/dbraw/zinc/92/00/65/1065920065.db2.gz SEVMIRSPRJYWMC-MRXNPFEDSA-N 1 2 452.477 4.769 20 0 JJADLO Cc1cc(N2CCN(C(=O)/C=C\c3ccccc3OCc3ccccc3)CC2)nc(C(C)C)[nH+]1 ZINC001440687115 1065966770 /nfs/dbraw/zinc/96/67/70/1065966770.db2.gz NMXPGOONZFGZAK-YPKPFQOOSA-N 1 2 456.590 4.849 20 0 JJADLO Cc1cccc(O[C@@H](C)c2nnc(N(C)CC(F)(F)F)n2Cc2ccc(N(C)C)[nH+]c2)c1C ZINC001360866569 1065989039 /nfs/dbraw/zinc/98/90/39/1065989039.db2.gz VTNVYYNOYJAGGX-KRWDZBQOSA-N 1 2 462.520 4.543 20 0 JJADLO CC(C)(C)OC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC001440899407 1065992361 /nfs/dbraw/zinc/99/23/61/1065992361.db2.gz ZBOXAPRCASPAEJ-JOCHJYFZSA-N 1 2 452.599 4.590 20 0 JJADLO CC(C)N1CC[NH+](CCC(=O)Nc2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC001441176088 1066011555 /nfs/dbraw/zinc/01/15/55/1066011555.db2.gz KDGZKCZGRLHSOY-UHFFFAOYSA-N 1 2 450.627 4.591 20 0 JJADLO CCN(Cc1cccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccncc2)c1)C(=O)OC(C)(C)C ZINC001441192228 1066013900 /nfs/dbraw/zinc/01/39/00/1066013900.db2.gz XKWXGZKEUHKVQF-QHCPKHFHSA-N 1 2 452.599 4.832 20 0 JJADLO CCN(Cc1cccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccncc2)c1)C(=O)OC(C)(C)C ZINC001441192228 1066013913 /nfs/dbraw/zinc/01/39/13/1066013913.db2.gz XKWXGZKEUHKVQF-QHCPKHFHSA-N 1 2 452.599 4.832 20 0 JJADLO CN(C)c1ccc([NH+]2CCC(NC(=O)c3c(Cl)cc(F)cc3Br)CC2)cc1 ZINC001360880617 1066033593 /nfs/dbraw/zinc/03/35/93/1066033593.db2.gz GTBWSCXYPOXWKZ-UHFFFAOYSA-N 1 2 454.771 4.706 20 0 JJADLO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC(C)=C(C)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001360883481 1066037626 /nfs/dbraw/zinc/03/76/26/1066037626.db2.gz SZCKSWKCVQDORO-YADHBBJMSA-N 1 2 488.076 4.956 20 0 JJADLO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC(C)=C(C)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001360883481 1066037635 /nfs/dbraw/zinc/03/76/35/1066037635.db2.gz SZCKSWKCVQDORO-YADHBBJMSA-N 1 2 488.076 4.956 20 0 JJADLO CSc1ccc([C@@H](CNC(=O)Cc2cc(F)ccc2O)[N@@H+]2CCc3sccc3C2)cc1 ZINC001441462703 1066043128 /nfs/dbraw/zinc/04/31/28/1066043128.db2.gz CXQZLCFPRCZLHJ-OAQYLSRUSA-N 1 2 456.608 4.773 20 0 JJADLO CSc1ccc([C@@H](CNC(=O)Cc2cc(F)ccc2O)[N@H+]2CCc3sccc3C2)cc1 ZINC001441462703 1066043134 /nfs/dbraw/zinc/04/31/34/1066043134.db2.gz CXQZLCFPRCZLHJ-OAQYLSRUSA-N 1 2 456.608 4.773 20 0 JJADLO CC1=C(C)CN(c2nnc(COc3ccc(Br)cc3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001360892057 1066043426 /nfs/dbraw/zinc/04/34/26/1066043426.db2.gz IZKMYKBLXLBUDC-UHFFFAOYSA-N 1 2 497.441 4.675 20 0 JJADLO CNc1nc(C)ccc1C(=O)NC[C@@H](c1ccc(SC)cc1)[N@@H+]1CCc2sccc2C1 ZINC001441474587 1066044407 /nfs/dbraw/zinc/04/44/07/1066044407.db2.gz QMQZUBVFXVPNOR-NRFANRHFSA-N 1 2 452.649 4.745 20 0 JJADLO CNc1nc(C)ccc1C(=O)NC[C@@H](c1ccc(SC)cc1)[N@H+]1CCc2sccc2C1 ZINC001441474587 1066044420 /nfs/dbraw/zinc/04/44/20/1066044420.db2.gz QMQZUBVFXVPNOR-NRFANRHFSA-N 1 2 452.649 4.745 20 0 JJADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cc(Cl)c(-n2cccc2)cc1OC ZINC001360905911 1066060536 /nfs/dbraw/zinc/06/05/36/1066060536.db2.gz FWVVTSJYFDXXAV-UHFFFAOYSA-N 1 2 452.986 4.913 20 0 JJADLO Cc1cc(C)nc(Nc2ccc(Cl)c(C(=O)NCc3ccc(-n4cc[nH+]c4)c(F)c3)c2)n1 ZINC001442187729 1066100188 /nfs/dbraw/zinc/10/01/88/1066100188.db2.gz UDLYBIORFYQUSA-UHFFFAOYSA-N 1 2 450.905 4.745 20 0 JJADLO Cc1[nH]c(-c2cccc(NC(=O)C[C@@H](NC(=O)c3ccc(O)cc3)c3ccccc3)c2)[nH+]c1C ZINC001442238153 1066106663 /nfs/dbraw/zinc/10/66/63/1066106663.db2.gz ZZTLDRDZTAYHCM-XMMPIXPASA-N 1 2 454.530 4.899 20 0 JJADLO Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(NC(=O)[C@@H](CC(C)C)n3cc[nH+]c3)cc2Cl)n1 ZINC001442301626 1066114023 /nfs/dbraw/zinc/11/40/23/1066114023.db2.gz ISNFYWFZMUWTNZ-DYESRHJHSA-N 1 2 456.978 4.775 20 0 JJADLO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)c2cnc(-c3c(Cl)cccc3Cl)s2)C[C@H](C)O1 ZINC001442329938 1066117100 /nfs/dbraw/zinc/11/71/00/1066117100.db2.gz TZZJTFRJKDBLPZ-ZNMIVQPWSA-N 1 2 454.423 4.831 20 0 JJADLO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)c2cnc(-c3c(Cl)cccc3Cl)s2)C[C@H](C)O1 ZINC001442329938 1066117105 /nfs/dbraw/zinc/11/71/05/1066117105.db2.gz TZZJTFRJKDBLPZ-ZNMIVQPWSA-N 1 2 454.423 4.831 20 0 JJADLO C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001442513163 1066132016 /nfs/dbraw/zinc/13/20/16/1066132016.db2.gz DMNZMZAKSRBAHJ-LAUBAEHRSA-N 1 2 450.539 4.514 20 0 JJADLO COc1c(C)c[nH+]c(CNC(=O)Cc2csc(-c3sccc3Br)n2)c1C ZINC001442653360 1066146967 /nfs/dbraw/zinc/14/69/67/1066146967.db2.gz GYJVLKGQNXLSPO-UHFFFAOYSA-N 1 2 452.399 4.513 20 0 JJADLO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@H](C)[C@H]2C)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001360990005 1066164934 /nfs/dbraw/zinc/16/49/34/1066164934.db2.gz ONEOLCGSBNSWHS-LLUDDFSJSA-N 1 2 476.065 4.644 20 0 JJADLO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@H](C)[C@@H]2C)n1C[C@H](C)[NH+]1CCOCC1 ZINC001360990006 1066164983 /nfs/dbraw/zinc/16/49/83/1066164983.db2.gz ONEOLCGSBNSWHS-LRGNLBRXSA-N 1 2 476.065 4.644 20 0 JJADLO O=C(CCc1nc2cc(Br)ccc2s1)NCCn1c[nH+]cc1-c1ccccc1 ZINC001454320729 1066269497 /nfs/dbraw/zinc/26/94/97/1066269497.db2.gz JSYIQOQWXOXODM-UHFFFAOYSA-N 1 2 455.381 4.671 20 0 JJADLO CC(C)(C)OC(=O)C=Cc1cc(C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)co1 ZINC001443390329 1066305570 /nfs/dbraw/zinc/30/55/70/1066305570.db2.gz ZZGQDDZOFJXERZ-CSKARUKUSA-N 1 2 450.539 4.749 20 0 JJADLO CC(C)Cc1cc(C(=O)N2CC[NH+](Cc3cccc(OCc4ccccc4)c3)CC2)cc(=O)[nH]1 ZINC001454598897 1066307940 /nfs/dbraw/zinc/30/79/40/1066307940.db2.gz FWZWNNMGGLNFPF-UHFFFAOYSA-N 1 2 459.590 4.523 20 0 JJADLO CCOCCC1(C(=O)N2CC[NH+](Cc3cccc(OCc4ccccc4)c3)CC2)CCCC1 ZINC001454600562 1066308805 /nfs/dbraw/zinc/30/88/05/1066308805.db2.gz RMXDUOIZONNFCY-UHFFFAOYSA-N 1 2 450.623 4.897 20 0 JJADLO C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)Sc1ccc(Br)cc1 ZINC001443531697 1066323794 /nfs/dbraw/zinc/32/37/94/1066323794.db2.gz NTARGJPXZNBORG-FOIQADDNSA-N 1 2 451.405 4.850 20 0 JJADLO C[C@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1)Sc1ccc(Br)cc1 ZINC001443531697 1066323830 /nfs/dbraw/zinc/32/38/30/1066323830.db2.gz NTARGJPXZNBORG-FOIQADDNSA-N 1 2 451.405 4.850 20 0 JJADLO Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@H](C)[C@@H]2C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001361088292 1066329908 /nfs/dbraw/zinc/32/99/08/1066329908.db2.gz HOUVJHCLJRVJPV-ICSRJNTNSA-N 1 2 483.060 4.996 20 0 JJADLO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC001443605309 1066336736 /nfs/dbraw/zinc/33/67/36/1066336736.db2.gz QEDOGTAWRKUXNW-AOMKIAJQSA-N 1 2 453.583 4.633 20 0 JJADLO CCOc1nc2cc(C(=O)N(CCCn3cc[nH+]c3)Cc3c(F)cccc3Cl)ccc2[nH]1 ZINC001443636634 1066342213 /nfs/dbraw/zinc/34/22/13/1066342213.db2.gz WZRQMPJUWYYJSM-UHFFFAOYSA-N 1 2 455.921 4.683 20 0 JJADLO CC[C@]1(C)CCN(c2nnc(-c3ccccc3Br)n2Cc2c[nH+]ccc2OC)C1 ZINC001546067846 1066355315 /nfs/dbraw/zinc/35/53/15/1066355315.db2.gz CQRGUPDGZPMWMG-JOCHJYFZSA-N 1 2 456.388 4.786 20 0 JJADLO CC(C)(C)OC(=O)NCC1(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)CCCCC1 ZINC001443763417 1066363921 /nfs/dbraw/zinc/36/39/21/1066363921.db2.gz UOGHRFFDHRJOPQ-JLHYYAGUSA-N 1 2 455.643 4.709 20 0 JJADLO CN(CCCNC(=O)c1ccccc1OCc1ccc(Br)cc1)c1cccc[nH+]1 ZINC001455155771 1066366115 /nfs/dbraw/zinc/36/61/15/1066366115.db2.gz VRTMEWQELQXIMW-UHFFFAOYSA-N 1 2 454.368 4.679 20 0 JJADLO Cc1ccc(CN(C)c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@@H](C)[NH+]2CCOCC2)o1 ZINC001361123899 1066375514 /nfs/dbraw/zinc/37/55/14/1066375514.db2.gz QKICPEPAKAGGHE-OAQYLSRUSA-N 1 2 481.641 4.547 20 0 JJADLO Cc1ccc(C(C)C)c(OCc2nnc(N(C)C[C@H]3CCCCO3)n2Cc2ccc(N(C)C)[nH+]c2)c1 ZINC001361123970 1066376025 /nfs/dbraw/zinc/37/60/25/1066376025.db2.gz RZVSDGGQTJBHPA-HSZRJFAPSA-N 1 2 492.668 4.804 20 0 JJADLO C/C=C/[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC001443896505 1066382753 /nfs/dbraw/zinc/38/27/53/1066382753.db2.gz TYBXGVLMAGCFFN-UBIOGTIXSA-N 1 2 480.024 4.619 20 0 JJADLO C/C=C/[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC001443896505 1066382769 /nfs/dbraw/zinc/38/27/69/1066382769.db2.gz TYBXGVLMAGCFFN-UBIOGTIXSA-N 1 2 480.024 4.619 20 0 JJADLO CCN(CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)Cc1ccccc1Cl ZINC001443896478 1066382970 /nfs/dbraw/zinc/38/29/70/1066382970.db2.gz SZCOUYUPJIBBIQ-FQEVSTJZSA-N 1 2 452.401 4.735 20 0 JJADLO CCN(CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)Cc1ccccc1Cl ZINC001443896478 1066382984 /nfs/dbraw/zinc/38/29/84/1066382984.db2.gz SZCOUYUPJIBBIQ-FQEVSTJZSA-N 1 2 452.401 4.735 20 0 JJADLO CN(C)c1ccc([NH+]2CCC(NC(=O)C(C)(C)Cc3ccc(Br)cc3)CC2)cc1 ZINC001361129426 1066393202 /nfs/dbraw/zinc/39/32/02/1066393202.db2.gz XHQFOJGMERDLBU-UHFFFAOYSA-N 1 2 458.444 4.869 20 0 JJADLO Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC001361129366 1066393332 /nfs/dbraw/zinc/39/33/32/1066393332.db2.gz WBWCAFQSUBFUOA-UHFFFAOYSA-N 1 2 452.599 4.646 20 0 JJADLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2cc(NC(C)=O)cc(C(F)(F)F)c2)CC1 ZINC001455461408 1066393712 /nfs/dbraw/zinc/39/37/12/1066393712.db2.gz CTXWDQYBWDQSPW-OAQYLSRUSA-N 1 2 451.464 4.712 20 0 JJADLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2csc(COc3ccc(F)cc3)n2)CC1 ZINC001455469649 1066395187 /nfs/dbraw/zinc/39/51/87/1066395187.db2.gz WFQAEYWDMXHHJB-JOCHJYFZSA-N 1 2 457.546 4.909 20 0 JJADLO CC(C)(C)OC(=O)N1CCC(CCCCCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC001455585047 1066413207 /nfs/dbraw/zinc/41/32/07/1066413207.db2.gz MSLKJPTVRTXGTQ-UHFFFAOYSA-N 1 2 454.615 4.869 20 0 JJADLO Cc1ccc([C@H](Cn2c(CC(C)(C)C)nnc2N2CCS[C@@H](C(C)C)C2)[NH+]2CCOCC2)cc1 ZINC001361139492 1066415170 /nfs/dbraw/zinc/41/51/70/1066415170.db2.gz KQUMDADFJNYWMM-BJKOFHAPSA-N 1 2 485.742 4.826 20 0 JJADLO Cc1cccc(C(=O)NCc2ccc(C[NH+]3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1Cl ZINC001455648917 1066419502 /nfs/dbraw/zinc/41/95/02/1066419502.db2.gz ZCQFMRKKXCUPTL-UHFFFAOYSA-N 1 2 458.002 4.631 20 0 JJADLO Cc1ccc([C@H](Cn2c(N(CCC(C)C)C3CC3)nnc2C(C)(C)C)[NH+]2CCOCC2)cc1 ZINC001361141379 1066420975 /nfs/dbraw/zinc/42/09/75/1066420975.db2.gz MIBKFVFXKAGXHF-DEOSSOPVSA-N 1 2 453.675 4.972 20 0 JJADLO C[C@H](CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)C(=O)c1ccc(Cl)cc1 ZINC001455809958 1066435371 /nfs/dbraw/zinc/43/53/71/1066435371.db2.gz RLMCSMGAZSGEKC-CDHQVMDDSA-N 1 2 452.904 4.728 20 0 JJADLO C[C@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)C(=O)c1ccc(Cl)cc1 ZINC001455809958 1066435375 /nfs/dbraw/zinc/43/53/75/1066435375.db2.gz RLMCSMGAZSGEKC-CDHQVMDDSA-N 1 2 452.904 4.728 20 0 JJADLO CN(Cc1cc(F)ccc1Oc1ccc(Br)cc1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001455930696 1066452973 /nfs/dbraw/zinc/45/29/73/1066452973.db2.gz VTHSSJUWSNOWPX-HNNXBMFYSA-N 1 2 458.331 4.798 20 0 JJADLO CN(Cc1ccccc1Oc1ccc(Br)cc1F)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001455930814 1066453849 /nfs/dbraw/zinc/45/38/49/1066453849.db2.gz WHRPWFKGANDLQD-MRXNPFEDSA-N 1 2 458.331 4.798 20 0 JJADLO Cc1ccc(C)c(OCc2nnc(N3CCS[C@H](C(C)C)C3)n2CCCNc2cccc[nH+]2)c1 ZINC001361164169 1066475627 /nfs/dbraw/zinc/47/56/27/1066475627.db2.gz XNMMBDSUVUUOOA-QHCPKHFHSA-N 1 2 480.682 4.949 20 0 JJADLO Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccc(F)c(F)c3)n2Cc2ccc(N(C)C)[nH+]c2)o1 ZINC001361169698 1066484085 /nfs/dbraw/zinc/48/40/85/1066484085.db2.gz JDOKZYPCGPBAGV-MRXNPFEDSA-N 1 2 452.509 4.831 20 0 JJADLO O=C(CCc1c[nH]c[nH+]1)N[C@@H](Cc1c(F)cccc1Cl)c1ccccc1Br ZINC001444621973 1066485173 /nfs/dbraw/zinc/48/51/73/1066485173.db2.gz ZUSWFHHPGXTDNV-IBGZPJMESA-N 1 2 450.739 4.998 20 0 JJADLO O=C(CCc1c[nH+]c[nH]1)N[C@@H](Cc1c(F)cccc1Cl)c1ccccc1Br ZINC001444621973 1066485187 /nfs/dbraw/zinc/48/51/87/1066485187.db2.gz ZUSWFHHPGXTDNV-IBGZPJMESA-N 1 2 450.739 4.998 20 0 JJADLO CC[C@]1(C)CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001546079003 1066500700 /nfs/dbraw/zinc/50/07/00/1066500700.db2.gz DESDTUGCJIEAKB-XMMPIXPASA-N 1 2 478.106 4.961 20 0 JJADLO CC[C@]1(C)CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001546079003 1066500711 /nfs/dbraw/zinc/50/07/11/1066500711.db2.gz DESDTUGCJIEAKB-XMMPIXPASA-N 1 2 478.106 4.961 20 0 JJADLO CC(C)(C)n1cc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c(-c2ccc(F)cc2F)n1 ZINC001456097924 1066508934 /nfs/dbraw/zinc/50/89/34/1066508934.db2.gz AAONLPQMFORNAX-UHFFFAOYSA-N 1 2 454.521 4.668 20 0 JJADLO C[C@H](c1cccc(NC(=O)[C@H](CC2CCCCC2)NC(=O)OC(C)(C)C)c1)[NH+]1CCOCC1 ZINC001456181732 1066531551 /nfs/dbraw/zinc/53/15/51/1066531551.db2.gz WDOLYFDPNXPNPL-XXBNENTESA-N 1 2 459.631 4.882 20 0 JJADLO O=C(NCc1c(Cl)cc(Br)cc1Cl)[C@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC001456200582 1066536267 /nfs/dbraw/zinc/53/62/67/1066536267.db2.gz YTSJUPREPLWYQC-GOSISDBHSA-N 1 2 457.199 4.822 20 0 JJADLO O=C(NCc1c(Cl)cc(Br)cc1Cl)[C@H]1CCCC[N@H+]1Cc1ccncc1 ZINC001456200582 1066536275 /nfs/dbraw/zinc/53/62/75/1066536275.db2.gz YTSJUPREPLWYQC-GOSISDBHSA-N 1 2 457.199 4.822 20 0 JJADLO O=C(N[C@H](c1ccccc1Cl)c1cc(F)ccc1F)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001456354850 1066568429 /nfs/dbraw/zinc/56/84/29/1066568429.db2.gz VXFBGQCSAYOUBY-BJKOFHAPSA-N 1 2 456.920 4.725 20 0 JJADLO O=C(N[C@H](c1ccccc1Cl)c1cc(F)ccc1F)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001456354850 1066568450 /nfs/dbraw/zinc/56/84/50/1066568450.db2.gz VXFBGQCSAYOUBY-BJKOFHAPSA-N 1 2 456.920 4.725 20 0 JJADLO CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3ccc4[nH]c(C)[nH+]c4c3)cc2)c1C(F)(F)F ZINC001445751781 1066614529 /nfs/dbraw/zinc/61/45/29/1066614529.db2.gz SGIVLWJTOWWSMK-UHFFFAOYSA-N 1 2 457.412 4.505 20 0 JJADLO Cc1cn2c([nH+]1)[C@H](Cn1c(C(C)C)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1)CCC2 ZINC001492628432 1066699230 /nfs/dbraw/zinc/69/92/30/1066699230.db2.gz FQOZPGPPFOXUSU-QFIPXVFZSA-N 1 2 499.704 4.957 20 0 JJADLO Cc1cn2c([nH+]1)[C@H](Cn1c(-c3ccc(Br)cc3)nnc1N(C)CC(F)(F)F)CCC2 ZINC001492628935 1066700912 /nfs/dbraw/zinc/70/09/12/1066700912.db2.gz PSFJCRPLNCMBTQ-HNNXBMFYSA-N 1 2 483.336 4.789 20 0 JJADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Cc1c(Cl)cccc1Br ZINC001456927899 1066724003 /nfs/dbraw/zinc/72/40/03/1066724003.db2.gz JPWDTSOJGMMRCS-UHFFFAOYSA-N 1 2 450.808 4.805 20 0 JJADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Cc1ccc(Cl)cc1Br ZINC001456929648 1066724373 /nfs/dbraw/zinc/72/43/73/1066724373.db2.gz NBSQXRIVHCNFND-UHFFFAOYSA-N 1 2 450.808 4.805 20 0 JJADLO Cc1nc(NCc2cccc(C(=O)Nc3ccn(-c4cccc(C(F)(F)F)c4)n3)c2)cc[nH+]1 ZINC001446648782 1066728824 /nfs/dbraw/zinc/72/88/24/1066728824.db2.gz UULZNKAWNBHRCU-UHFFFAOYSA-N 1 2 452.440 4.854 20 0 JJADLO Cc1ccc(C(=O)N[C@H](CC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c2ccccc2)cc1 ZINC001446714893 1066733680 /nfs/dbraw/zinc/73/36/80/1066733680.db2.gz JTINPNBYOXWDPO-AREMUKBSSA-N 1 2 458.606 4.772 20 0 JJADLO CC[C@@H](C(=O)N(Cc1ccccc1)Cc1ccc(Br)cc1)[N@@H+]1CCO[C@H](CC)C1 ZINC001447035107 1066768585 /nfs/dbraw/zinc/76/85/85/1066768585.db2.gz XYJDHSQGHKYDFU-PKTZIBPZSA-N 1 2 459.428 4.867 20 0 JJADLO CC[C@@H](C(=O)N(Cc1ccccc1)Cc1ccc(Br)cc1)[N@H+]1CCO[C@H](CC)C1 ZINC001447035107 1066768593 /nfs/dbraw/zinc/76/85/93/1066768593.db2.gz XYJDHSQGHKYDFU-PKTZIBPZSA-N 1 2 459.428 4.867 20 0 JJADLO CCC(CC)[C@@H](C(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1C)[NH+]1CCOCC1 ZINC001447365547 1066799605 /nfs/dbraw/zinc/79/96/05/1066799605.db2.gz BPEGQHVWXUBUFO-QHCPKHFHSA-N 1 2 458.002 4.976 20 0 JJADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1csc(-c2cc(Br)cs2)n1 ZINC001447649611 1066835370 /nfs/dbraw/zinc/83/53/70/1066835370.db2.gz DLGXNKGZBCRMJR-UHFFFAOYSA-N 1 2 453.431 4.945 20 0 JJADLO Cc1ncc(C[NH+]2CCN(c3nnc(CC(C)(C)C)n3Cc3ccc(F)c(Cl)c3)CC2)s1 ZINC001492701831 1066859259 /nfs/dbraw/zinc/85/92/59/1066859259.db2.gz INODQUQUHRTVTC-UHFFFAOYSA-N 1 2 477.053 4.795 20 0 JJADLO Cc1ncc(C[NH+]2CCN(c3nnc(Cc4ccccc4F)n3CCCC(C)C)CC2)s1 ZINC001492703682 1066861882 /nfs/dbraw/zinc/86/18/82/1066861882.db2.gz XCKNSSSBEMEWDW-UHFFFAOYSA-N 1 2 456.635 4.531 20 0 JJADLO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1occc1CSc1ccccc1 ZINC001457580360 1066870325 /nfs/dbraw/zinc/87/03/25/1066870325.db2.gz QTXAWYPLBFUIJZ-UHFFFAOYSA-N 1 2 456.011 4.777 20 0 JJADLO C[C@H](NC(=O)[C@@H]1[C@H]2CCCC[C@@H]2CCN1C(=O)OC(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC001457724726 1066905133 /nfs/dbraw/zinc/90/51/33/1066905133.db2.gz KVOAKENOZOZOKV-NKRSRWBGSA-N 1 2 452.599 4.865 20 0 JJADLO CCc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)[C@H](CC(C)C)n2cc[nH+]c2)cc1 ZINC001448354235 1066919149 /nfs/dbraw/zinc/91/91/49/1066919149.db2.gz MKKAQNYDSHMZKW-XZOQPEGZSA-N 1 2 454.615 4.853 20 0 JJADLO O=C(N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)C(F)(F)c1ccccc1Br ZINC001448499409 1066933622 /nfs/dbraw/zinc/93/36/22/1066933622.db2.gz DGLLXCZIWCLYIT-AWEZNQCLSA-N 1 2 452.343 4.985 20 0 JJADLO O=C(N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)C(F)(F)c1ccccc1Br ZINC001448499409 1066933632 /nfs/dbraw/zinc/93/36/32/1066933632.db2.gz DGLLXCZIWCLYIT-AWEZNQCLSA-N 1 2 452.343 4.985 20 0 JJADLO O=C(c1ccnc(Cl)c1Br)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC001448656364 1066946744 /nfs/dbraw/zinc/94/67/44/1066946744.db2.gz ZYZLCRNMUJQOGT-UHFFFAOYSA-N 1 2 454.155 4.690 20 0 JJADLO Cc1nc(-c2ccc(C)cc2Br)sc1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC001458073218 1066967788 /nfs/dbraw/zinc/96/77/88/1066967788.db2.gz XTZZEASXKYAEAN-HNNXBMFYSA-N 1 2 457.397 4.593 20 0 JJADLO Clc1ccc(-n2c(C[NH+]3CCCC3)nnc2Sc2ncccc2Br)cc1 ZINC001458082673 1066970146 /nfs/dbraw/zinc/97/01/46/1066970146.db2.gz ANLBUIZWAFPUFH-UHFFFAOYSA-N 1 2 450.793 4.825 20 0 JJADLO CC[C@H](c1nnc(N(C)CC(C)(C)C)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1)c1ccccc1 ZINC001545720452 1066974738 /nfs/dbraw/zinc/97/47/38/1066974738.db2.gz XEIIQFNZWVCQEX-VXKWHMMOSA-N 1 2 476.673 4.803 20 0 JJADLO CC[C@H](c1nnc(N(C)CC(C)(C)C)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1)c1ccccc1 ZINC001545720452 1066974744 /nfs/dbraw/zinc/97/47/44/1066974744.db2.gz XEIIQFNZWVCQEX-VXKWHMMOSA-N 1 2 476.673 4.803 20 0 JJADLO CC[N@H+](CC(=O)N(CCOC)Cc1cc(Br)cs1)Cc1ccccc1Cl ZINC001449058909 1066980286 /nfs/dbraw/zinc/98/02/86/1066980286.db2.gz IWIWHONNTMJANC-UHFFFAOYSA-N 1 2 459.837 4.661 20 0 JJADLO CC[N@@H+](CC(=O)N(CCOC)Cc1cc(Br)cs1)Cc1ccccc1Cl ZINC001449058909 1066980293 /nfs/dbraw/zinc/98/02/93/1066980293.db2.gz IWIWHONNTMJANC-UHFFFAOYSA-N 1 2 459.837 4.661 20 0 JJADLO CCn1nc(C)c(CC(=O)N2CC[NH+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1C ZINC001546011410 1066981846 /nfs/dbraw/zinc/98/18/46/1066981846.db2.gz FQFOREWGLKPWFQ-SANMLTNESA-N 1 2 451.014 4.650 20 0 JJADLO COc1cc(CC(=O)N2CC[NH+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)ccc1O ZINC001546011752 1066985594 /nfs/dbraw/zinc/98/55/94/1066985594.db2.gz RATRAVJPNAYCSF-SANMLTNESA-N 1 2 450.966 4.531 20 0 JJADLO CC[C@@H](c1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1CCCNc1cccc[nH+]1)c1ccccc1 ZINC001545731104 1066989585 /nfs/dbraw/zinc/98/95/85/1066989585.db2.gz JURXDCTVCSFWNS-TYPHKJRUSA-N 1 2 488.558 4.873 20 0 JJADLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C(=O)OC(C)(C)C)cc1 ZINC001458154604 1066990628 /nfs/dbraw/zinc/99/06/28/1066990628.db2.gz OMEMKPQZPKMLRW-NTKDMRAZSA-N 1 2 451.611 4.718 20 0 JJADLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C(=O)OC(C)(C)C)cc1 ZINC001458154604 1066990638 /nfs/dbraw/zinc/99/06/38/1066990638.db2.gz OMEMKPQZPKMLRW-NTKDMRAZSA-N 1 2 451.611 4.718 20 0 JJADLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)COc1ccc(Cl)c(Cl)c1 ZINC001458155860 1066991318 /nfs/dbraw/zinc/99/13/18/1066991318.db2.gz SNRPEUAUWXIQAA-OPAMFIHVSA-N 1 2 450.410 4.835 20 0 JJADLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)COc1ccc(Cl)c(Cl)c1 ZINC001458155860 1066991327 /nfs/dbraw/zinc/99/13/27/1066991327.db2.gz SNRPEUAUWXIQAA-OPAMFIHVSA-N 1 2 450.410 4.835 20 0 JJADLO O=C(c1cc(F)c(F)cc1F)N1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC001458173701 1066996364 /nfs/dbraw/zinc/99/63/64/1066996364.db2.gz QKOQAODWFWRSLC-UHFFFAOYSA-N 1 2 454.492 4.668 20 0 JJADLO O=C(c1nc(-c2ccccc2)cs1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC001449309559 1066997883 /nfs/dbraw/zinc/99/78/83/1066997883.db2.gz JUHCQXDULKONRS-UHFFFAOYSA-N 1 2 457.353 4.705 20 0 JJADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c(C)c1 ZINC001458185444 1066999763 /nfs/dbraw/zinc/99/97/63/1066999763.db2.gz XHTLYTMDIUJLHH-GGAORHGYSA-N 1 2 454.615 4.785 20 0 JJADLO C[C@H](CCOc1ccccc1)C(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC001449365358 1067004375 /nfs/dbraw/zinc/00/43/75/1067004375.db2.gz KLDYBOSDNWPKTN-LJQANCHMSA-N 1 2 456.384 4.780 20 0 JJADLO CC[C@H](c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1CC[S@](=O)C(C)(C)C)c1ccccc1 ZINC001545759095 1067040886 /nfs/dbraw/zinc/04/08/86/1067040886.db2.gz RRRXVNLDRRREGF-HUBRWUETSA-N 1 2 499.750 4.751 20 0 JJADLO CCC(CC)(Cn1c(-c2cccc(Br)c2)nnc1N1CCN(c2cccc[nH+]2)CC1)OC ZINC001545771548 1067058801 /nfs/dbraw/zinc/05/88/01/1067058801.db2.gz SDMDTBVNOGACAS-UHFFFAOYSA-N 1 2 499.457 4.634 20 0 JJADLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)CCCOc2ccc3c(c2)CCCC3)c2ccc(Cl)cc2)C1 ZINC001458453738 1067067154 /nfs/dbraw/zinc/06/71/54/1067067154.db2.gz MNFZPZNFBWXYFK-AHWVRZQESA-N 1 2 457.014 4.566 20 0 JJADLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)CCCOc2ccc3c(c2)CCCC3)c2ccc(Cl)cc2)C1 ZINC001458453738 1067067162 /nfs/dbraw/zinc/06/71/62/1067067162.db2.gz MNFZPZNFBWXYFK-AHWVRZQESA-N 1 2 457.014 4.566 20 0 JJADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)CCCOc2ccc3c(c2)CCCC3)c2ccc(Cl)cc2)C1 ZINC001458453752 1067067204 /nfs/dbraw/zinc/06/72/04/1067067204.db2.gz MNFZPZNFBWXYFK-AZGAKELHSA-N 1 2 457.014 4.566 20 0 JJADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)CCCOc2ccc3c(c2)CCCC3)c2ccc(Cl)cc2)C1 ZINC001458453752 1067067209 /nfs/dbraw/zinc/06/72/09/1067067209.db2.gz MNFZPZNFBWXYFK-AZGAKELHSA-N 1 2 457.014 4.566 20 0 JJADLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)CSc2cc(Cl)ccc2Cl)c2ccc(Cl)cc2)C1 ZINC001458453831 1067067495 /nfs/dbraw/zinc/06/74/95/1067067495.db2.gz MRAPMTYJIVAVRX-PXNSSMCTSA-N 1 2 459.826 4.927 20 0 JJADLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)CSc2cc(Cl)ccc2Cl)c2ccc(Cl)cc2)C1 ZINC001458453831 1067067499 /nfs/dbraw/zinc/06/74/99/1067067499.db2.gz MRAPMTYJIVAVRX-PXNSSMCTSA-N 1 2 459.826 4.927 20 0 JJADLO COc1ccc(C[C@H](C)CN(C)C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)cc1 ZINC001458457752 1067067721 /nfs/dbraw/zinc/06/77/21/1067067721.db2.gz QEGVMHUYTIJSBP-MBSDFSHPSA-N 1 2 459.428 4.932 20 0 JJADLO CCOc1ccc(OCCSc2nnc(C[NH+]3CCCCC3)n2-c2ccc(F)cc2)cc1 ZINC001458750641 1067131605 /nfs/dbraw/zinc/13/16/05/1067131605.db2.gz JVMXVMQRJYXMCG-UHFFFAOYSA-N 1 2 456.587 4.962 20 0 JJADLO Cc1cccc(C[NH+]2CCN(C(=O)c3scc(Br)c3Br)CC2)c1 ZINC001458769424 1067136768 /nfs/dbraw/zinc/13/67/68/1067136768.db2.gz QVDQSNYYIYOTTA-UHFFFAOYSA-N 1 2 458.219 4.540 20 0 JJADLO CCC1(CC)CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001546103728 1067146467 /nfs/dbraw/zinc/14/64/67/1067146467.db2.gz UXSKKTVKZPBDSR-FQEVSTJZSA-N 1 2 473.637 4.685 20 0 JJADLO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)c1 ZINC001458806353 1067150442 /nfs/dbraw/zinc/15/04/42/1067150442.db2.gz AYNVKGNJBPPHIA-QGZVFWFLSA-N 1 2 458.400 4.963 20 0 JJADLO CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccccc2C)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001545826830 1067176252 /nfs/dbraw/zinc/17/62/52/1067176252.db2.gz UOGOFTLGAGEJKV-RTWAWAEBSA-N 1 2 477.657 4.785 20 0 JJADLO CC(C)c1ccc(C[NH+]2CCN(C(=O)CSc3nc(-c4ccc(F)cc4)c[nH]3)CC2)cc1 ZINC001458862303 1067177349 /nfs/dbraw/zinc/17/73/49/1067177349.db2.gz PQMSGIJTIIVZBC-UHFFFAOYSA-N 1 2 452.599 4.776 20 0 JJADLO CCC(CC)NC(=O)c1nnc(N(C)C/C(C)=C/c2ccccc2)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001545831873 1067182147 /nfs/dbraw/zinc/18/21/47/1067182147.db2.gz AEQQXILTSFJKHR-UEAVEIDSSA-N 1 2 489.668 4.819 20 0 JJADLO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@@H]3CCCC[C@@H]32)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001545849826 1067204158 /nfs/dbraw/zinc/20/41/58/1067204158.db2.gz VMKCWOPIULBSIQ-VJBMBRPKSA-N 1 2 481.689 4.501 20 0 JJADLO CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H]1CC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC001546105790 1067236818 /nfs/dbraw/zinc/23/68/18/1067236818.db2.gz WHMJZXVXJWLDHC-QHCPKHFHSA-N 1 2 452.599 4.784 20 0 JJADLO C[C@@H](C(=O)NCc1cccc(Oc2ccccc2F)c1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001452805938 1067254009 /nfs/dbraw/zinc/25/40/09/1067254009.db2.gz XMUQLNPAVYXXIK-IBGZPJMESA-N 1 2 451.517 4.584 20 0 JJADLO Cc1cccc(C)c1OCCNC(=O)C[NH+]1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1 ZINC001459307196 1067289228 /nfs/dbraw/zinc/28/92/28/1067289228.db2.gz BBKZHPBMWOUQQA-UHFFFAOYSA-N 1 2 450.623 4.592 20 0 JJADLO CC(=O)N(c1nc(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)cs1)c1ccc(Cl)c(Cl)c1 ZINC001459317385 1067292582 /nfs/dbraw/zinc/29/25/82/1067292582.db2.gz JEMSERQKSDDEQN-CQSZACIVSA-N 1 2 456.395 4.719 20 0 JJADLO CC(=O)N(c1nc(C[N@H+]2CCC[C@@H](C3OCCO3)C2)cs1)c1ccc(Cl)c(Cl)c1 ZINC001459317385 1067292591 /nfs/dbraw/zinc/29/25/91/1067292591.db2.gz JEMSERQKSDDEQN-CQSZACIVSA-N 1 2 456.395 4.719 20 0 JJADLO CCC1(CC)CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC001546108477 1067310348 /nfs/dbraw/zinc/31/03/48/1067310348.db2.gz CGTNFGMMNHHZLJ-QHCPKHFHSA-N 1 2 453.675 4.784 20 0 JJADLO CCC1(CC)CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC001546108477 1067310361 /nfs/dbraw/zinc/31/03/61/1067310361.db2.gz CGTNFGMMNHHZLJ-QHCPKHFHSA-N 1 2 453.675 4.784 20 0 JJADLO O=C(C[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC001459390226 1067311587 /nfs/dbraw/zinc/31/15/87/1067311587.db2.gz HSUXSONQRDPOTO-OAQYLSRUSA-N 1 2 457.546 4.632 20 0 JJADLO O=C(C[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC001459390226 1067311598 /nfs/dbraw/zinc/31/15/98/1067311598.db2.gz HSUXSONQRDPOTO-OAQYLSRUSA-N 1 2 457.546 4.632 20 0 JJADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)CCc2ccc(C)cc2Br)[C@H](C)C1 ZINC001459409927 1067315620 /nfs/dbraw/zinc/31/56/20/1067315620.db2.gz GUBNOXDLSSVNIH-LJQANCHMSA-N 1 2 459.428 4.822 20 0 JJADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)CCc2ccc(C)cc2Br)[C@H](C)C1 ZINC001459409927 1067315636 /nfs/dbraw/zinc/31/56/36/1067315636.db2.gz GUBNOXDLSSVNIH-LJQANCHMSA-N 1 2 459.428 4.822 20 0 JJADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)COC(c2ccccc2)c2ccccc2)[C@@H](C)C1 ZINC001459419342 1067320192 /nfs/dbraw/zinc/32/01/92/1067320192.db2.gz QYSCISWJTDSPNT-QHCPKHFHSA-N 1 2 458.602 4.924 20 0 JJADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)COC(c2ccccc2)c2ccccc2)[C@@H](C)C1 ZINC001459419342 1067320202 /nfs/dbraw/zinc/32/02/02/1067320202.db2.gz QYSCISWJTDSPNT-QHCPKHFHSA-N 1 2 458.602 4.924 20 0 JJADLO CC[C@]1(C)CC[C@@H](Cn2c(CC(C)C)nnc2N2CC[NH+](CCOc3ccccc3Cl)CC2)O1 ZINC001546055212 1067330886 /nfs/dbraw/zinc/33/08/86/1067330886.db2.gz YCUTVFDWXCGYNP-HFZDXXHNSA-N 1 2 490.092 4.679 20 0 JJADLO CC[C@@]1(C)CC[C@H](Cn2c(CC(C)C)nnc2N2CC[NH+](CCOc3ccccc3Cl)CC2)O1 ZINC001546055215 1067330931 /nfs/dbraw/zinc/33/09/31/1067330931.db2.gz YCUTVFDWXCGYNP-RLWLMLJZSA-N 1 2 490.092 4.679 20 0 JJADLO COc1ccc([C@@H](CO)[N@H+](C)CC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)cc1 ZINC001459504967 1067340322 /nfs/dbraw/zinc/34/03/22/1067340322.db2.gz VDILQYDIFQGAPV-CQSZACIVSA-N 1 2 452.165 4.913 20 0 JJADLO COc1ccc([C@@H](CO)[N@@H+](C)CC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)cc1 ZINC001459504967 1067340332 /nfs/dbraw/zinc/34/03/32/1067340332.db2.gz VDILQYDIFQGAPV-CQSZACIVSA-N 1 2 452.165 4.913 20 0 JJADLO Cc1ccc(O[C@@H](C)C(=O)N2CC[NH+](CCOc3cc(Cl)cc(Cl)c3)CC2)c(C)c1 ZINC001459540001 1067347864 /nfs/dbraw/zinc/34/78/64/1067347864.db2.gz VWWFVLNAPDIJFI-SFHVURJKSA-N 1 2 451.394 4.601 20 0 JJADLO Cc1ccc(O[C@H](C)C(=O)N2CC[NH+](CCOc3cc(Cl)cc(Cl)c3)CC2)c(C)c1 ZINC001459539081 1067348181 /nfs/dbraw/zinc/34/81/81/1067348181.db2.gz VWWFVLNAPDIJFI-GOSISDBHSA-N 1 2 451.394 4.601 20 0 JJADLO CC(C)CC1(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc(I)cc2)CCC1 ZINC001459546497 1067348609 /nfs/dbraw/zinc/34/86/09/1067348609.db2.gz GTTOCUUEIIVAPS-LJQANCHMSA-N 1 2 454.396 4.588 20 0 JJADLO CC(C)CC1(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccc(I)cc2)CCC1 ZINC001459546497 1067348620 /nfs/dbraw/zinc/34/86/20/1067348620.db2.gz GTTOCUUEIIVAPS-LJQANCHMSA-N 1 2 454.396 4.588 20 0 JJADLO CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC001459610224 1067362995 /nfs/dbraw/zinc/36/29/95/1067362995.db2.gz ZDTDTZQLZZFITR-UHFFFAOYSA-N 1 2 452.599 4.905 20 0 JJADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC001459617530 1067365759 /nfs/dbraw/zinc/36/57/59/1067365759.db2.gz IRSBDLGTPMNSEZ-SFHVURJKSA-N 1 2 452.274 4.888 20 0 JJADLO O=C(NC1CCCCC1)NC1CC[NH+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)CC1 ZINC001459677269 1067381166 /nfs/dbraw/zinc/38/11/66/1067381166.db2.gz LJXLORXLADDFOD-UHFFFAOYSA-N 1 2 452.386 4.640 20 0 JJADLO O=C(NC[C@H]1CCCC[N@H+]1CC[S@@](=O)c1cc(Cl)ccc1Cl)Nc1ccccc1 ZINC001459689830 1067384572 /nfs/dbraw/zinc/38/45/72/1067384572.db2.gz CZOVHJGJOIADIT-LDLUVENISA-N 1 2 454.423 4.777 20 0 JJADLO O=C(NC[C@H]1CCCC[N@@H+]1CC[S@@](=O)c1cc(Cl)ccc1Cl)Nc1ccccc1 ZINC001459689830 1067384585 /nfs/dbraw/zinc/38/45/85/1067384585.db2.gz CZOVHJGJOIADIT-LDLUVENISA-N 1 2 454.423 4.777 20 0 JJADLO COc1ccc(-c2nc(C[NH+]3CCC(NC(=O)c4ccccc4C)CC3)cs2)c(OC)c1 ZINC001459717710 1067394851 /nfs/dbraw/zinc/39/48/51/1067394851.db2.gz NKNZWLXIHNXSDZ-UHFFFAOYSA-N 1 2 451.592 4.530 20 0 JJADLO O=C(NC[C@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2F)C1)Nc1cccc(F)c1 ZINC001459730097 1067398273 /nfs/dbraw/zinc/39/82/73/1067398273.db2.gz KGGWDLKNPXVFND-CYBMUJFWSA-N 1 2 456.306 4.900 20 0 JJADLO O=C(NC[C@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2F)C1)Nc1cccc(F)c1 ZINC001459730097 1067398282 /nfs/dbraw/zinc/39/82/82/1067398282.db2.gz KGGWDLKNPXVFND-CYBMUJFWSA-N 1 2 456.306 4.900 20 0 JJADLO Cc1cc(I)ccc1NC(=O)C[N@H+]1[C@H](C)c2ccc(F)cc2C[C@@H]1C ZINC001459774687 1067416761 /nfs/dbraw/zinc/41/67/61/1067416761.db2.gz JUKLTIHLQXEFRB-UONOGXRCSA-N 1 2 452.311 4.685 20 0 JJADLO Cc1cc(I)ccc1NC(=O)C[N@@H+]1[C@H](C)c2ccc(F)cc2C[C@@H]1C ZINC001459774687 1067416764 /nfs/dbraw/zinc/41/67/64/1067416764.db2.gz JUKLTIHLQXEFRB-UONOGXRCSA-N 1 2 452.311 4.685 20 0 JJADLO CCOc1ccc([C@@H](C)NC(=O)C[NH2+][C@@H](c2cccc(Cl)c2)c2ccccn2)cc1OC ZINC001459798448 1067428568 /nfs/dbraw/zinc/42/85/68/1067428568.db2.gz RPOSUWCSXKTAGW-NSYGIPOTSA-N 1 2 453.970 4.699 20 0 JJADLO C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@H+](C)Cc1cc(Br)cn1C ZINC001459811017 1067433382 /nfs/dbraw/zinc/43/33/82/1067433382.db2.gz XAHUUEHICNDTTM-JTQLQIEISA-N 1 2 452.702 4.919 20 0 JJADLO C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@@H+](C)Cc1cc(Br)cn1C ZINC001459811017 1067433386 /nfs/dbraw/zinc/43/33/86/1067433386.db2.gz XAHUUEHICNDTTM-JTQLQIEISA-N 1 2 452.702 4.919 20 0 JJADLO COC(=O)C(C)(C)[C@H]([NH2+]Cc1csc(CC(=O)Nc2ccccc2C)n1)c1ccccc1 ZINC001459824903 1067440759 /nfs/dbraw/zinc/44/07/59/1067440759.db2.gz HPOUGIPUKOEBQS-HSZRJFAPSA-N 1 2 451.592 4.663 20 0 JJADLO COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+]2CCc3sc(-c4csc(C)n4)cc3C2)cc1F ZINC001459842476 1067449655 /nfs/dbraw/zinc/44/96/55/1067449655.db2.gz UIZKWFQWUXIRPL-AWEZNQCLSA-N 1 2 459.612 4.733 20 0 JJADLO COc1ccc(CN(C)C(=O)[C@H](C)[N@H+]2CCc3sc(-c4csc(C)n4)cc3C2)cc1F ZINC001459842476 1067449658 /nfs/dbraw/zinc/44/96/58/1067449658.db2.gz UIZKWFQWUXIRPL-AWEZNQCLSA-N 1 2 459.612 4.733 20 0 JJADLO Cc1ccc([C@@H](CN2CCOCC2)[NH2+]Cc2ncc(-c3ccc(Br)cc3)o2)cc1 ZINC001459860935 1067461446 /nfs/dbraw/zinc/46/14/46/1067461446.db2.gz FKNSHUIMPYKGFU-OAQYLSRUSA-N 1 2 456.384 4.576 20 0 JJADLO CC[C@H]([NH2+]CC(=O)Nc1c(F)cc(F)cc1Br)c1nc(C(F)(F)F)cs1 ZINC001459920972 1067491809 /nfs/dbraw/zinc/49/18/09/1067491809.db2.gz HNZFKZKGXNJLLR-JTQLQIEISA-N 1 2 458.250 4.882 20 0 JJADLO FC(F)C(F)(F)COCC[N@@H+]1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC001459963792 1067509284 /nfs/dbraw/zinc/50/92/84/1067509284.db2.gz NCJMCGDZCUDCAL-ZDUSSCGKSA-N 1 2 452.246 4.553 20 0 JJADLO FC(F)C(F)(F)COCC[N@H+]1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC001459963792 1067509288 /nfs/dbraw/zinc/50/92/88/1067509288.db2.gz NCJMCGDZCUDCAL-ZDUSSCGKSA-N 1 2 452.246 4.553 20 0 JJADLO CCCCCCc1ccc(-c2csc(NC(=O)[C@H](C)[N@@H+]3CC[C@H](n4cncn4)C3)n2)cc1 ZINC001459991177 1067517947 /nfs/dbraw/zinc/51/79/47/1067517947.db2.gz MPWHVEIFTNIBAW-RXVVDRJESA-N 1 2 452.628 4.798 20 0 JJADLO CCCCCCc1ccc(-c2csc(NC(=O)[C@H](C)[N@H+]3CC[C@H](n4cncn4)C3)n2)cc1 ZINC001459991177 1067517955 /nfs/dbraw/zinc/51/79/55/1067517955.db2.gz MPWHVEIFTNIBAW-RXVVDRJESA-N 1 2 452.628 4.798 20 0 JJADLO C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[NH+]1CCC(Oc2cncc(Cl)n2)CC1 ZINC001459999881 1067521586 /nfs/dbraw/zinc/52/15/86/1067521586.db2.gz UWNIRFMXFJSKCJ-QGZVFWFLSA-N 1 2 452.942 4.793 20 0 JJADLO CCOC(=O)c1oc2ccc(Br)cc2c1C[N@@H+]1CC[C@H](OCc2ccncc2)C1 ZINC001460012047 1067526700 /nfs/dbraw/zinc/52/67/00/1067526700.db2.gz CHNRVOVLPSJCIB-KRWDZBQOSA-N 1 2 459.340 4.558 20 0 JJADLO CCOC(=O)c1oc2ccc(Br)cc2c1C[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC001460012047 1067526702 /nfs/dbraw/zinc/52/67/02/1067526702.db2.gz CHNRVOVLPSJCIB-KRWDZBQOSA-N 1 2 459.340 4.558 20 0 JJADLO Cc1cc([C@@H]2CCC[N@@H+]2CCCOc2ccc(S(C)(=O)=O)cc2)ccc1Br ZINC001460025453 1067532632 /nfs/dbraw/zinc/53/26/32/1067532632.db2.gz VKDPDIDMPHCWQJ-NRFANRHFSA-N 1 2 452.414 4.767 20 0 JJADLO Cc1cc([C@@H]2CCC[N@H+]2CCCOc2ccc(S(C)(=O)=O)cc2)ccc1Br ZINC001460025453 1067532638 /nfs/dbraw/zinc/53/26/38/1067532638.db2.gz VKDPDIDMPHCWQJ-NRFANRHFSA-N 1 2 452.414 4.767 20 0 JJADLO CCOC(=O)c1sc2[nH]c([C@@H](C)[N@@H+]3CCC[C@H](c4ccc(CC)cc4)C3)nc(=O)c2c1C ZINC001460064491 1067543671 /nfs/dbraw/zinc/54/36/71/1067543671.db2.gz KCZKDLHTTGZQHN-APWZRJJASA-N 1 2 453.608 4.973 20 0 JJADLO CCOC(=O)c1sc2[nH]c([C@@H](C)[N@H+]3CCC[C@H](c4ccc(CC)cc4)C3)nc(=O)c2c1C ZINC001460064491 1067543676 /nfs/dbraw/zinc/54/36/76/1067543676.db2.gz KCZKDLHTTGZQHN-APWZRJJASA-N 1 2 453.608 4.973 20 0 JJADLO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@@H+]1Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1 ZINC001460067883 1067545172 /nfs/dbraw/zinc/54/51/72/1067545172.db2.gz FSLNMFJUSZJJJL-OAHLLOKOSA-N 1 2 454.493 4.624 20 0 JJADLO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@H+]1Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1 ZINC001460067883 1067545181 /nfs/dbraw/zinc/54/51/81/1067545181.db2.gz FSLNMFJUSZJJJL-OAHLLOKOSA-N 1 2 454.493 4.624 20 0 JJADLO COc1ccccc1O[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2I)C1 ZINC001460079358 1067548438 /nfs/dbraw/zinc/54/84/38/1067548438.db2.gz WMRUBLVYXNDBTF-MRXNPFEDSA-N 1 2 457.739 4.997 20 0 JJADLO COc1ccccc1O[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2I)C1 ZINC001460079358 1067548443 /nfs/dbraw/zinc/54/84/43/1067548443.db2.gz WMRUBLVYXNDBTF-MRXNPFEDSA-N 1 2 457.739 4.997 20 0 JJADLO CCc1ccc(N2CC[NH+]([C@@H](C)C(=O)Nc3ccc(Br)cc3)CC2)cc1Cl ZINC001460089354 1067551182 /nfs/dbraw/zinc/55/11/82/1067551182.db2.gz LOIRKEPXNFLSLF-HNNXBMFYSA-N 1 2 450.808 4.814 20 0 JJADLO OC[C@]1([N@H+](Cc2coc(-c3ccc(F)c(C(F)(F)F)c3)n2)Cc2ccccc2)CCOC1 ZINC001460088758 1067551340 /nfs/dbraw/zinc/55/13/40/1067551340.db2.gz IQWFDCUMIRXWHU-JOCHJYFZSA-N 1 2 450.432 4.653 20 0 JJADLO OC[C@]1([N@@H+](Cc2coc(-c3ccc(F)c(C(F)(F)F)c3)n2)Cc2ccccc2)CCOC1 ZINC001460088758 1067551348 /nfs/dbraw/zinc/55/13/48/1067551348.db2.gz IQWFDCUMIRXWHU-JOCHJYFZSA-N 1 2 450.432 4.653 20 0 JJADLO COC(=O)c1c(C)c(C)sc1NC(=O)C[NH+]1CCC(F)(Cc2ccc(Cl)cc2)CC1 ZINC001460125819 1067560096 /nfs/dbraw/zinc/56/00/96/1067560096.db2.gz NATSJSZBUSDYAB-UHFFFAOYSA-N 1 2 452.979 4.790 20 0 JJADLO O=C(C[N@H+]1CCCN(c2cccc(F)c2F)CC1)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC001460132329 1067561287 /nfs/dbraw/zinc/56/12/87/1067561287.db2.gz ZFYFFAFVOYDPNE-UHFFFAOYSA-N 1 2 459.924 4.707 20 0 JJADLO O=C(C[N@@H+]1CCCN(c2cccc(F)c2F)CC1)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC001460132329 1067561291 /nfs/dbraw/zinc/56/12/91/1067561291.db2.gz ZFYFFAFVOYDPNE-UHFFFAOYSA-N 1 2 459.924 4.707 20 0 JJADLO CC(C)c1ccc(OCCNC(=O)C[NH+]2CCC(c3nc(C(F)(F)F)cs3)CC2)cc1 ZINC001460143990 1067563827 /nfs/dbraw/zinc/56/38/27/1067563827.db2.gz XOHSEKKXUVQJSO-UHFFFAOYSA-N 1 2 455.546 4.660 20 0 JJADLO COc1ccc([C@@H](C)[NH2+]Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)c(C)c1OC ZINC001460177618 1067571472 /nfs/dbraw/zinc/57/14/72/1067571472.db2.gz RRLCRVBIDIBNQM-GFCCVEGCSA-N 1 2 455.868 4.511 20 0 JJADLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CC(=O)Nc3ccccc3Oc3ccccc3)CC[C@@H]21 ZINC001460184449 1067574218 /nfs/dbraw/zinc/57/42/18/1067574218.db2.gz XWVPOEQTKFUVAM-KNQAVFIVSA-N 1 2 451.567 4.749 20 0 JJADLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CC(=O)Nc3ccccc3Oc3ccccc3)CC[C@@H]21 ZINC001460184449 1067574225 /nfs/dbraw/zinc/57/42/25/1067574225.db2.gz XWVPOEQTKFUVAM-KNQAVFIVSA-N 1 2 451.567 4.749 20 0 JJADLO CCOc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CCN(c3ccc(Cl)c(F)c3)C[C@@H]2C)cc1 ZINC001460192057 1067575511 /nfs/dbraw/zinc/57/55/11/1067575511.db2.gz CJKWBESGQYBNAN-UUOWRZLLSA-N 1 2 459.993 4.752 20 0 JJADLO CCOc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CCN(c3ccc(Cl)c(F)c3)C[C@@H]2C)cc1 ZINC001460192057 1067575516 /nfs/dbraw/zinc/57/55/16/1067575516.db2.gz CJKWBESGQYBNAN-UUOWRZLLSA-N 1 2 459.993 4.752 20 0 JJADLO CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC001460198078 1067576814 /nfs/dbraw/zinc/57/68/14/1067576814.db2.gz OYCSRJKEZWKIDW-AWEZNQCLSA-N 1 2 459.543 4.720 20 0 JJADLO Cc1nc(-c2cccc(NC(=O)C[N@@H+]3CCCC[C@H]3COC(=O)NC3CCCC3)c2)cs1 ZINC001460197046 1067576867 /nfs/dbraw/zinc/57/68/67/1067576867.db2.gz NOKLJGUKMZWUCA-NRFANRHFSA-N 1 2 456.612 4.580 20 0 JJADLO Cc1nc(-c2cccc(NC(=O)C[N@H+]3CCCC[C@H]3COC(=O)NC3CCCC3)c2)cs1 ZINC001460197046 1067576869 /nfs/dbraw/zinc/57/68/69/1067576869.db2.gz NOKLJGUKMZWUCA-NRFANRHFSA-N 1 2 456.612 4.580 20 0 JJADLO C[N@@H+](CC(=O)Nc1cccc(Oc2ccccc2)c1)C[C@H](O)c1cccc(Br)c1 ZINC001460237101 1067587318 /nfs/dbraw/zinc/58/73/18/1067587318.db2.gz IFLNWLDOMNREKP-QFIPXVFZSA-N 1 2 455.352 4.845 20 0 JJADLO C[N@H+](CC(=O)Nc1cccc(Oc2ccccc2)c1)C[C@H](O)c1cccc(Br)c1 ZINC001460237101 1067587328 /nfs/dbraw/zinc/58/73/28/1067587328.db2.gz IFLNWLDOMNREKP-QFIPXVFZSA-N 1 2 455.352 4.845 20 0 JJADLO C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@H+]1C[C@@H](c2ccccc2F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001460245150 1067590234 /nfs/dbraw/zinc/59/02/34/1067590234.db2.gz ZLOCTPHFPQNVGA-WDOIYZOTSA-N 1 2 481.612 4.875 20 0 JJADLO C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@@H+]1C[C@@H](c2ccccc2F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001460245150 1067590242 /nfs/dbraw/zinc/59/02/42/1067590242.db2.gz ZLOCTPHFPQNVGA-WDOIYZOTSA-N 1 2 481.612 4.875 20 0 JJADLO COC(=O)c1c(C)c(C)sc1NC(=O)C[NH+]1CCC(CCc2ccc(F)cc2F)CC1 ZINC001460315073 1067605824 /nfs/dbraw/zinc/60/58/24/1067605824.db2.gz XCIFTTKBBFBPAG-UHFFFAOYSA-N 1 2 450.551 4.713 20 0 JJADLO COC(=O)[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)C[C@H]1c1ccc(Cl)cc1 ZINC001460315398 1067605856 /nfs/dbraw/zinc/60/58/56/1067605856.db2.gz XUWMSOPDBKSWJC-UHOFOFEASA-N 1 2 455.769 4.862 20 0 JJADLO COC(=O)[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)C[C@H]1c1ccc(Cl)cc1 ZINC001460315398 1067605858 /nfs/dbraw/zinc/60/58/58/1067605858.db2.gz XUWMSOPDBKSWJC-UHOFOFEASA-N 1 2 455.769 4.862 20 0 JJADLO C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCN(c2ccc(Br)cc2)CC1 ZINC001460358032 1067617321 /nfs/dbraw/zinc/61/73/21/1067617321.db2.gz WOULIODJHWQSTG-CQSZACIVSA-N 1 2 456.306 4.617 20 0 JJADLO CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001460358449 1067617487 /nfs/dbraw/zinc/61/74/87/1067617487.db2.gz FSFPPBIZPKREAF-JNEQXLIQSA-N 1 2 469.582 4.589 20 0 JJADLO CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001460358449 1067617493 /nfs/dbraw/zinc/61/74/93/1067617493.db2.gz FSFPPBIZPKREAF-JNEQXLIQSA-N 1 2 469.582 4.589 20 0 JJADLO Cc1cc(C)c(N2CC[C@@H]([N@@H+]3CC[C@@]4(C)[C@@H](C3)C4(Br)Br)C2=O)c(C)c1 ZINC001460413437 1067630881 /nfs/dbraw/zinc/63/08/81/1067630881.db2.gz ARFSZYNKEQWIQK-MDZRGWNJSA-N 1 2 470.249 4.545 20 0 JJADLO Cc1cc(C)c(N2CC[C@@H]([N@H+]3CC[C@@]4(C)[C@@H](C3)C4(Br)Br)C2=O)c(C)c1 ZINC001460413437 1067630883 /nfs/dbraw/zinc/63/08/83/1067630883.db2.gz ARFSZYNKEQWIQK-MDZRGWNJSA-N 1 2 470.249 4.545 20 0 JJADLO COC(=O)[C@H]1C[C@@H](C(F)(F)F)C[N@H+](Cc2cccc(OCC(F)(F)F)c2Br)C1 ZINC001460415435 1067631280 /nfs/dbraw/zinc/63/12/80/1067631280.db2.gz KCZPTDJWHDBPFZ-NWDGAFQWSA-N 1 2 478.227 4.564 20 0 JJADLO COC(=O)[C@H]1C[C@@H](C(F)(F)F)C[N@@H+](Cc2cccc(OCC(F)(F)F)c2Br)C1 ZINC001460415435 1067631282 /nfs/dbraw/zinc/63/12/82/1067631282.db2.gz KCZPTDJWHDBPFZ-NWDGAFQWSA-N 1 2 478.227 4.564 20 0 JJADLO CCOC(=O)c1c2c(sc1NC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@@H](C)O[C@@H](C)C1)CCCC2 ZINC001460426796 1067632786 /nfs/dbraw/zinc/63/27/86/1067632786.db2.gz DVWOPLNPWKMLJF-STSQHVNTSA-N 1 2 470.635 4.983 20 0 JJADLO CCOC(=O)c1c2c(sc1NC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@@H](C)O[C@@H](C)C1)CCCC2 ZINC001460426796 1067632789 /nfs/dbraw/zinc/63/27/89/1067632789.db2.gz DVWOPLNPWKMLJF-STSQHVNTSA-N 1 2 470.635 4.983 20 0 JJADLO CCc1cccc(C)c1NC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001460450035 1067636944 /nfs/dbraw/zinc/63/69/44/1067636944.db2.gz JWMTVDDQJFSAAH-ROUUACIJSA-N 1 2 457.537 4.521 20 0 JJADLO CCc1cccc(C)c1NC(=O)C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001460450035 1067636953 /nfs/dbraw/zinc/63/69/53/1067636953.db2.gz JWMTVDDQJFSAAH-ROUUACIJSA-N 1 2 457.537 4.521 20 0 JJADLO COC(=O)c1ccccc1CCC(=O)N1CC[N@H+](Cc2ccc(Cl)cc2)C[C@@H]1CC(C)C ZINC001460461123 1067638591 /nfs/dbraw/zinc/63/85/91/1067638591.db2.gz SLYRXWWAMFWIOD-QHCPKHFHSA-N 1 2 457.014 4.818 20 0 JJADLO COC(=O)c1ccccc1CCC(=O)N1CC[N@@H+](Cc2ccc(Cl)cc2)C[C@@H]1CC(C)C ZINC001460461123 1067638595 /nfs/dbraw/zinc/63/85/95/1067638595.db2.gz SLYRXWWAMFWIOD-QHCPKHFHSA-N 1 2 457.014 4.818 20 0 JJADLO Cc1ccc(CNC(=O)c2ccccc2NC(=O)C[N@@H+](Cc2ccccc2F)CC2CC2)cc1 ZINC001460472616 1067639976 /nfs/dbraw/zinc/63/99/76/1067639976.db2.gz WXUWFFPEPSYZPB-UHFFFAOYSA-N 1 2 459.565 4.915 20 0 JJADLO Cc1ccc(CNC(=O)c2ccccc2NC(=O)C[N@H+](Cc2ccccc2F)CC2CC2)cc1 ZINC001460472616 1067639982 /nfs/dbraw/zinc/63/99/82/1067639982.db2.gz WXUWFFPEPSYZPB-UHFFFAOYSA-N 1 2 459.565 4.915 20 0 JJADLO COc1ccccc1-c1ccnc(C2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3C(C)=O)CC2)n1 ZINC001460545908 1067654249 /nfs/dbraw/zinc/65/42/49/1067654249.db2.gz UUGCTGLYMZBFBF-SFHVURJKSA-N 1 2 458.562 4.561 20 0 JJADLO COC[C@H](C)[N@H+](Cc1nc(Cc2cccc(Br)c2)no1)[C@@H]1CCc2ccccc21 ZINC001460571016 1067658142 /nfs/dbraw/zinc/65/81/42/1067658142.db2.gz AKBCQYVOHDUMHF-HRAATJIYSA-N 1 2 456.384 4.947 20 0 JJADLO COC[C@H](C)[N@@H+](Cc1nc(Cc2cccc(Br)c2)no1)[C@@H]1CCc2ccccc21 ZINC001460571016 1067658146 /nfs/dbraw/zinc/65/81/46/1067658146.db2.gz AKBCQYVOHDUMHF-HRAATJIYSA-N 1 2 456.384 4.947 20 0 JJADLO CCOC(=O)[C@H](Cc1cccc2ccccc21)[NH2+]CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001460596445 1067665085 /nfs/dbraw/zinc/66/50/85/1067665085.db2.gz NQGXUYQRBAUAHC-YKSBVNFPSA-N 1 2 454.611 4.941 20 0 JJADLO CCOC(=O)C1C(C[NH2+][C@@](C)(CC)c2ccc(F)cc2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001460600642 1067667124 /nfs/dbraw/zinc/66/71/24/1067667124.db2.gz FUWYTBJGFLCVKY-QPPBQGQZSA-N 1 2 459.949 4.565 20 0 JJADLO CCC1(CC)CN(c2nnc([C@@H]3CCCOC3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)CCS1 ZINC001546117828 1067677832 /nfs/dbraw/zinc/67/78/32/1067677832.db2.gz QCBHXOYVGUFHTC-WIYYLYMNSA-N 1 2 493.668 4.865 20 0 JJADLO COc1ccc([C@@H]2C[N@@H+]([C@H](C)c3nc(-c4cccs4)no3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001460652506 1067688063 /nfs/dbraw/zinc/68/80/63/1067688063.db2.gz RXNIXFLRCQOIFO-AYOQOUSVSA-N 1 2 470.595 4.860 20 0 JJADLO COc1ccc([C@@H]2C[N@H+]([C@H](C)c3nc(-c4cccs4)no3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001460652506 1067688066 /nfs/dbraw/zinc/68/80/66/1067688066.db2.gz RXNIXFLRCQOIFO-AYOQOUSVSA-N 1 2 470.595 4.860 20 0 JJADLO CC1=CC[C@@](C)(C(=O)Nc2ccccc2OCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001460710686 1067706440 /nfs/dbraw/zinc/70/64/40/1067706440.db2.gz VWMSTBUBJLJHHZ-AREMUKBSSA-N 1 2 457.615 4.693 20 0 JJADLO C[C@H]1C[N@H+](Cc2cc(Cl)cc(Br)c2)C[C@]2(CCN(C(=O)OC(C)(C)C)C2)O1 ZINC001460729406 1067711201 /nfs/dbraw/zinc/71/12/01/1067711201.db2.gz WWPDHNNUAODBKS-XOBRGWDASA-N 1 2 459.812 4.703 20 0 JJADLO C[C@H]1C[N@@H+](Cc2cc(Cl)cc(Br)c2)C[C@]2(CCN(C(=O)OC(C)(C)C)C2)O1 ZINC001460729406 1067711209 /nfs/dbraw/zinc/71/12/09/1067711209.db2.gz WWPDHNNUAODBKS-XOBRGWDASA-N 1 2 459.812 4.703 20 0 JJADLO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(Cc3nc(-c4ccc(F)cn4)no3)CC2)c(Cl)c1 ZINC001460749798 1067715496 /nfs/dbraw/zinc/71/54/96/1067715496.db2.gz OJEWQMJZINTXHC-HNNXBMFYSA-N 1 2 457.937 4.514 20 0 JJADLO CC(C)[N@H+](CCN(C)C(=O)OC(C)(C)C)Cc1nc(-c2ccc(Br)s2)no1 ZINC001460808753 1067728190 /nfs/dbraw/zinc/72/81/90/1067728190.db2.gz IAORVELBOKNDPM-UHFFFAOYSA-N 1 2 459.410 4.638 20 0 JJADLO CC(C)[N@@H+](CCN(C)C(=O)OC(C)(C)C)Cc1nc(-c2ccc(Br)s2)no1 ZINC001460808753 1067728196 /nfs/dbraw/zinc/72/81/96/1067728196.db2.gz IAORVELBOKNDPM-UHFFFAOYSA-N 1 2 459.410 4.638 20 0 JJADLO Cc1c(Br)cccc1C[N@H+]1C[C@@H](C)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001460839525 1067732337 /nfs/dbraw/zinc/73/23/37/1067732337.db2.gz YDRPNMPQLGBTLK-MRXNPFEDSA-N 1 2 453.421 4.748 20 0 JJADLO Cc1c(Br)cccc1C[N@@H+]1C[C@@H](C)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001460839525 1067732342 /nfs/dbraw/zinc/73/23/42/1067732342.db2.gz YDRPNMPQLGBTLK-MRXNPFEDSA-N 1 2 453.421 4.748 20 0 JJADLO FC(F)Oc1ccc(Br)cc1C[NH2+]Cc1nc(C(F)(F)F)n2c1CCCC2 ZINC001461179333 1067793949 /nfs/dbraw/zinc/79/39/49/1067793949.db2.gz FNJXYNYKLHBIJP-UHFFFAOYSA-N 1 2 454.237 4.892 20 0 JJADLO COc1ccc([C@@H]([NH2+]Cc2nc(Br)c[nH]2)c2ccccc2)cc1Br ZINC001461192041 1067796470 /nfs/dbraw/zinc/79/64/70/1067796470.db2.gz ZDEGEWZDBLRBQR-SFHVURJKSA-N 1 2 451.162 4.823 20 0 JJADLO CCCCS(=O)(=O)Nc1ccc(NCc2c[nH+]c3c(C)cc(Br)cn23)cc1 ZINC001461294044 1067820844 /nfs/dbraw/zinc/82/08/44/1067820844.db2.gz NDBSEWLAIBREBD-UHFFFAOYSA-N 1 2 451.390 4.559 20 0 JJADLO Cc1cc(Br)cn2c(CNc3cccc(I)c3C)c[nH+]c12 ZINC001461428456 1067853958 /nfs/dbraw/zinc/85/39/58/1067853958.db2.gz RNTTYZQLMQJGDM-UHFFFAOYSA-N 1 2 456.125 4.930 20 0 JJADLO CCCOc1ccc(CNc2[nH]c3ccc(I)cc3[nH+]2)cc1OCC ZINC001461654276 1067910854 /nfs/dbraw/zinc/91/08/54/1067910854.db2.gz SNNAGXDERWTFFE-UHFFFAOYSA-N 1 2 451.308 4.967 20 0 JJADLO CCCOc1ccc(CNc2[nH]c3cc(I)ccc3[nH+]2)cc1OCC ZINC001461654276 1067910857 /nfs/dbraw/zinc/91/08/57/1067910857.db2.gz SNNAGXDERWTFFE-UHFFFAOYSA-N 1 2 451.308 4.967 20 0 JJADLO Brc1cc(I)cc(NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001461673227 1067915435 /nfs/dbraw/zinc/91/54/35/1067915435.db2.gz PKYGJNZLNVOXAS-UHFFFAOYSA-N 1 2 454.109 4.852 20 0 JJADLO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2nc(-c3cccc(C(F)(F)F)c3)oc2C)cc1 ZINC001461676523 1067915961 /nfs/dbraw/zinc/91/59/61/1067915961.db2.gz FVLDLSQSTDJYKH-IBGZPJMESA-N 1 2 459.468 4.682 20 0 JJADLO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2nc(-c3cccc(C(F)(F)F)c3)oc2C)cc1 ZINC001461676523 1067915967 /nfs/dbraw/zinc/91/59/67/1067915967.db2.gz FVLDLSQSTDJYKH-IBGZPJMESA-N 1 2 459.468 4.682 20 0 JJADLO NC(=O)C[N@H+](Cc1c(-c2ccc(F)cc2)nc2ccc(C(F)(F)F)cn21)Cc1ccccc1 ZINC001461846613 1067945774 /nfs/dbraw/zinc/94/57/74/1067945774.db2.gz ABPZGAQXFKFLTI-UHFFFAOYSA-N 1 2 456.443 4.647 20 0 JJADLO NC(=O)C[N@@H+](Cc1c(-c2ccc(F)cc2)nc2ccc(C(F)(F)F)cn21)Cc1ccccc1 ZINC001461846613 1067945778 /nfs/dbraw/zinc/94/57/78/1067945778.db2.gz ABPZGAQXFKFLTI-UHFFFAOYSA-N 1 2 456.443 4.647 20 0 JJADLO COc1cc(C[NH+]2CCN(C(=O)[C@@H](C)Oc3ccc(C)cc3Cl)CC2)cc2ccccc21 ZINC001461922503 1067961849 /nfs/dbraw/zinc/96/18/49/1067961849.db2.gz UFFHWMNTWZWIBX-LJQANCHMSA-N 1 2 452.982 4.922 20 0 JJADLO NC(=O)N[C@H]1CC[N@H+](Cc2ccc(Br)cc2Oc2ccc(Cl)c(Cl)c2)C1 ZINC001461929683 1067962816 /nfs/dbraw/zinc/96/28/16/1067962816.db2.gz XSJFGRDTEPAZPD-ZDUSSCGKSA-N 1 2 459.171 4.791 20 0 JJADLO NC(=O)N[C@H]1CC[N@@H+](Cc2ccc(Br)cc2Oc2ccc(Cl)c(Cl)c2)C1 ZINC001461929683 1067962821 /nfs/dbraw/zinc/96/28/21/1067962821.db2.gz XSJFGRDTEPAZPD-ZDUSSCGKSA-N 1 2 459.171 4.791 20 0 JJADLO C/C(=C/c1ccccc1OC(F)F)C[NH+]1CCN(C(=O)[C@H](C)Oc2ccc(C)cc2C)CC1 ZINC001461932839 1067963605 /nfs/dbraw/zinc/96/36/05/1067963605.db2.gz FCLNMHAADKSYGS-XBXLIOEISA-N 1 2 458.549 4.920 20 0 JJADLO O=C(COc1ccc(Cl)cc1)N1CC[NH+](Cc2cccc(Oc3ccc(F)cc3)c2)CC1 ZINC001461943716 1067965974 /nfs/dbraw/zinc/96/59/74/1067965974.db2.gz KRMCBXCQYUXYBS-UHFFFAOYSA-N 1 2 454.929 4.995 20 0 JJADLO O=C(NCc1cc[nH+]c(N2CCSCC2)c1)c1cccc(OCc2cccc(Cl)c2)c1 ZINC001461945757 1067966412 /nfs/dbraw/zinc/96/64/12/1067966412.db2.gz OSWPKVDHROJEHJ-UHFFFAOYSA-N 1 2 453.995 4.797 20 0 JJADLO Cc1ccc(-c2ncc(C[NH+]3CCN([C@H](C)C(=O)Nc4cccc(F)c4)CC3)s2)cc1C ZINC001461973105 1067972584 /nfs/dbraw/zinc/97/25/84/1067972584.db2.gz AENFVUJKJBFLPY-LJQANCHMSA-N 1 2 452.599 4.711 20 0 JJADLO O=C(NC1CC[NH+](Cc2cc(Br)ccc2Br)CC1)c1ccsc1 ZINC001461987318 1067976187 /nfs/dbraw/zinc/97/61/87/1067976187.db2.gz OKSWSHXAUNJHRP-UHFFFAOYSA-N 1 2 458.219 4.668 20 0 JJADLO Cc1nn(-c2cccc(Br)c2)cc1C[N@H+](C)Cc1cnn(Cc2ccccc2)c1 ZINC001462024909 1067983681 /nfs/dbraw/zinc/98/36/81/1067983681.db2.gz JKAMDARHYOTBTD-UHFFFAOYSA-N 1 2 450.384 4.820 20 0 JJADLO Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+](C)Cc1cnn(Cc2ccccc2)c1 ZINC001462024909 1067983685 /nfs/dbraw/zinc/98/36/85/1067983685.db2.gz JKAMDARHYOTBTD-UHFFFAOYSA-N 1 2 450.384 4.820 20 0 JJADLO O=C(CN1CC[NH+](C/C=C/c2ccc(F)cc2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC001462037890 1067986560 /nfs/dbraw/zinc/98/65/60/1067986560.db2.gz LCOTYXGCSNSPLM-OWOJBTEDSA-N 1 2 455.883 4.767 20 0 JJADLO COCO[C@@H](C)c1cc(F)c(C[NH+]2CCC(O)(c3ccccc3)CC2)cc1Br ZINC001462055387 1067992107 /nfs/dbraw/zinc/99/21/07/1067992107.db2.gz TXGYFDRSUYNMDE-INIZCTEOSA-N 1 2 452.364 4.753 20 0 JJADLO C[C@@H](C[N@H+](C)Cc1ncc(I)s1)Oc1ccc(Cl)c(Cl)c1 ZINC001462094112 1068001344 /nfs/dbraw/zinc/00/13/44/1068001344.db2.gz HQMURNYJSYGNSD-VIFPVBQESA-N 1 2 457.164 4.954 20 0 JJADLO C[C@@H](C[N@@H+](C)Cc1ncc(I)s1)Oc1ccc(Cl)c(Cl)c1 ZINC001462094112 1068001358 /nfs/dbraw/zinc/00/13/58/1068001358.db2.gz HQMURNYJSYGNSD-VIFPVBQESA-N 1 2 457.164 4.954 20 0 JJADLO COC(=O)c1ccc(COc2ccccc2C[NH+]2CCN([C@H](C)c3ccsc3)CC2)cc1 ZINC001462129822 1068011986 /nfs/dbraw/zinc/01/19/86/1068011986.db2.gz OVKIKRCTSRXCPA-HXUWFJFHSA-N 1 2 450.604 4.993 20 0 JJADLO C[C@H]1CCCN(C(=O)OC[C@H]2CCCC[N@@H+]2Cc2cccc(I)c2)C1 ZINC001462224431 1068032306 /nfs/dbraw/zinc/03/23/06/1068032306.db2.gz GUHKPMRCMXNULV-QFBILLFUSA-N 1 2 456.368 4.514 20 0 JJADLO C[C@H]1CCCN(C(=O)OC[C@H]2CCCC[N@H+]2Cc2cccc(I)c2)C1 ZINC001462224431 1068032316 /nfs/dbraw/zinc/03/23/16/1068032316.db2.gz GUHKPMRCMXNULV-QFBILLFUSA-N 1 2 456.368 4.514 20 0 JJADLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)c3sc4ccccc4c3Br)C2)c1 ZINC001462229218 1068033187 /nfs/dbraw/zinc/03/31/87/1068033187.db2.gz CPXYHUPYHMUVBR-KRWDZBQOSA-N 1 2 459.409 4.603 20 0 JJADLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)c3sc4ccccc4c3Br)C2)c1 ZINC001462229218 1068033199 /nfs/dbraw/zinc/03/31/99/1068033199.db2.gz CPXYHUPYHMUVBR-KRWDZBQOSA-N 1 2 459.409 4.603 20 0 JJADLO COc1ccc(Cl)cc1[C@H](O)C[NH2+]Cc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1 ZINC001462232234 1068034388 /nfs/dbraw/zinc/03/43/88/1068034388.db2.gz DCACDERDLJDUOE-OAQYLSRUSA-N 1 2 459.999 4.930 20 0 JJADLO CC(C)(C)OC(=O)N1CC[C@H](C2CC[NH+](Cc3nc(Cl)ccc3Br)CC2)C1 ZINC001462310193 1068048135 /nfs/dbraw/zinc/04/81/35/1068048135.db2.gz ANGWHSPXXYQWEN-HNNXBMFYSA-N 1 2 458.828 4.967 20 0 JJADLO Cc1cc(Br)cn2c(C[NH+]3CC(Cc4cccc(OC(F)(F)F)c4)C3)cnc12 ZINC001462322572 1068051152 /nfs/dbraw/zinc/05/11/52/1068051152.db2.gz SVNFJQDSECOTSZ-UHFFFAOYSA-N 1 2 454.290 4.978 20 0 JJADLO Cc1cc(Br)cn2c(CN3[C@H](C)CN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]3C)c[nH+]c12 ZINC001462370671 1068061322 /nfs/dbraw/zinc/06/13/22/1068061322.db2.gz ACCDXIOTKXNMNJ-OAGGEKHMSA-N 1 2 451.409 4.623 20 0 JJADLO CC(C)(C)OC(=O)N1CC(c2cc(C[NH2+][C@@H](CCO)c3cc(Cl)cc(Cl)c3)on2)C1 ZINC001462477003 1068081900 /nfs/dbraw/zinc/08/19/00/1068081900.db2.gz CNOGUBIDYKLQIL-SFHVURJKSA-N 1 2 456.370 4.529 20 0 JJADLO CC(C)(C)OC(=O)N1CC2(CCC2)[C@@H]1C1CC[NH+](Cc2ccc(Br)nc2)CC1 ZINC001462526411 1068091813 /nfs/dbraw/zinc/09/18/13/1068091813.db2.gz IEGKVADNHUSCCT-IBGZPJMESA-N 1 2 450.421 4.846 20 0 JJADLO CCC1(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)CC[NH+]2CCOCC2)CCC1 ZINC001546132499 1068100032 /nfs/dbraw/zinc/10/00/32/1068100032.db2.gz KTDSYAIRWZMUMZ-UHFFFAOYSA-N 1 2 452.430 4.601 20 0 JJADLO Cc1nn(-c2ccccn2)c(Cl)c1C[NH+]1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 ZINC001462579642 1068103837 /nfs/dbraw/zinc/10/38/37/1068103837.db2.gz WUPZTORYCNBBDY-UHFFFAOYSA-N 1 2 451.880 4.686 20 0 JJADLO Cc1c(C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H](c2cccc(Cl)c2)C(F)F)cnn1C ZINC001462584336 1068104385 /nfs/dbraw/zinc/10/43/85/1068104385.db2.gz JUIQBJZTYSQFKV-KXBFYZLASA-N 1 2 456.965 4.661 20 0 JJADLO O=C(NCCN(Cc1ccccc1)c1cccc[nH+]1)C1(c2ccc(Br)cc2)CC1 ZINC001462640238 1068121577 /nfs/dbraw/zinc/12/15/77/1068121577.db2.gz ZWXOTJOYMSUUQK-UHFFFAOYSA-N 1 2 450.380 4.699 20 0 JJADLO Cc1ccc(N(C(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)[C@H]2CCO[C@H]2C)cc1Cl ZINC001462650570 1068123790 /nfs/dbraw/zinc/12/37/90/1068123790.db2.gz PZECQWXVXLBGMO-MBSDFSHPSA-N 1 2 466.969 4.698 20 0 JJADLO COc1ccc([C@H](CNS(=O)(=O)c2cc3cc(Cl)ccc3s2)[NH+]2CCCC2)cc1 ZINC001462730621 1068146315 /nfs/dbraw/zinc/14/63/15/1068146315.db2.gz HVHOQOSRQJHEAU-IBGZPJMESA-N 1 2 451.013 4.679 20 0 JJADLO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1S(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1 ZINC001463343015 1068363815 /nfs/dbraw/zinc/36/38/15/1068363815.db2.gz PAFZRAKJQNLEDP-ZWKOTPCHSA-N 1 2 457.665 4.877 20 0 JJADLO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1S(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1 ZINC001463343015 1068363834 /nfs/dbraw/zinc/36/38/34/1068363834.db2.gz PAFZRAKJQNLEDP-ZWKOTPCHSA-N 1 2 457.665 4.877 20 0 JJADLO COc1ccc(CN(c2cc[nH+]cc2)S(=O)(=O)c2nc(C)sc2-c2ccccc2)cc1 ZINC001463345994 1068365733 /nfs/dbraw/zinc/36/57/33/1068365733.db2.gz DGUWPORQABERJP-UHFFFAOYSA-N 1 2 451.573 4.918 20 0 JJADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N[C@@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)C1 ZINC001463427874 1068393702 /nfs/dbraw/zinc/39/37/02/1068393702.db2.gz SYYPRKURFXFERE-HXUWFJFHSA-N 1 2 458.933 4.776 20 0 JJADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N[C@@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)C1 ZINC001463427874 1068393715 /nfs/dbraw/zinc/39/37/15/1068393715.db2.gz SYYPRKURFXFERE-HXUWFJFHSA-N 1 2 458.933 4.776 20 0 JJADLO O=C(COc1ccc(Cl)c2ccccc12)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC001463602987 1068461911 /nfs/dbraw/zinc/46/19/11/1068461911.db2.gz FVTGUHYZKRVTDI-UHFFFAOYSA-N 1 2 459.373 4.749 20 0 JJADLO Cc1cc(N2CCN(C(=O)c3cc(NC(=O)CC(C)C)ccc3Cl)CC2)nc(C(C)C)[nH+]1 ZINC001463769579 1068518812 /nfs/dbraw/zinc/51/88/12/1068518812.db2.gz AVMFWUJTBMAPJK-UHFFFAOYSA-N 1 2 458.006 4.509 20 0 JJADLO C[C@@H](c1ccccc1F)[C@@H](O)C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC001463802687 1068530770 /nfs/dbraw/zinc/53/07/70/1068530770.db2.gz ZJFRRRADYNMMKH-BXKMTCNYSA-N 1 2 456.558 4.502 20 0 JJADLO COc1ccc(F)c(C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)c1OC ZINC001463802634 1068530854 /nfs/dbraw/zinc/53/08/54/1068530854.db2.gz YARSIUUSRPNGKR-UHFFFAOYSA-N 1 2 458.530 4.669 20 0 JJADLO O=C(c1c(Cl)nc2cc(Cl)ccn21)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001463807003 1068531833 /nfs/dbraw/zinc/53/18/33/1068531833.db2.gz OYPLLYNGLSJXQM-UHFFFAOYSA-N 1 2 457.283 4.618 20 0 JJADLO CCc1c(C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cnn1-c1ccccc1C ZINC001463810963 1068533537 /nfs/dbraw/zinc/53/35/37/1068533537.db2.gz XDPSGHRGQGEQFA-UHFFFAOYSA-N 1 2 456.512 4.720 20 0 JJADLO Cc1sc(NC(=O)[C@]2([NH+](C)C)COc3ccccc3C2)nc1-c1ccc(OC(F)F)cc1 ZINC001463947925 1068572271 /nfs/dbraw/zinc/57/22/71/1068572271.db2.gz QLVUMPHHQGNVGG-HSZRJFAPSA-N 1 2 459.518 4.594 20 0 JJADLO CCCc1cc(C(=O)N2CC[NH+](CCCc3nc(-c4ccc(C)cc4)no3)CC2)sc1C ZINC001464077276 1068607897 /nfs/dbraw/zinc/60/78/97/1068607897.db2.gz YGXWMTJSQQKEAJ-UHFFFAOYSA-N 1 2 452.624 4.758 20 0 JJADLO Cc1nc(NCc2cccc(C(=O)Nc3ccccc3C(=O)N3C[C@@H](C)C[C@H](C)C3)c2)cc[nH+]1 ZINC001464128137 1068626070 /nfs/dbraw/zinc/62/60/70/1068626070.db2.gz CTSBNLSOYMQHBF-OALUTQOASA-N 1 2 457.578 4.768 20 0 JJADLO CCCc1cc(C(=O)NC[C@@H](c2ccc(Cl)cc2)[N@@H+]2CCc3sccc3C2)cc(=O)[nH]1 ZINC001464205723 1068656231 /nfs/dbraw/zinc/65/62/31/1068656231.db2.gz GZOQHXPGHOMAMU-NRFANRHFSA-N 1 2 456.011 4.984 20 0 JJADLO CCCc1cc(C(=O)NC[C@@H](c2ccc(Cl)cc2)[N@H+]2CCc3sccc3C2)cc(=O)[nH]1 ZINC001464205723 1068656236 /nfs/dbraw/zinc/65/62/36/1068656236.db2.gz GZOQHXPGHOMAMU-NRFANRHFSA-N 1 2 456.011 4.984 20 0 JJADLO O=C(N[C@@H](CCc1ccccc1)c1ccccc1)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC001464292393 1068694265 /nfs/dbraw/zinc/69/42/65/1068694265.db2.gz FVSYTEDBXHKVPL-UIOOFZCWSA-N 1 2 458.606 4.508 20 0 JJADLO O=C(N[C@@H](CCc1ccccc1)c1ccccc1)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC001464292393 1068694271 /nfs/dbraw/zinc/69/42/71/1068694271.db2.gz FVSYTEDBXHKVPL-UIOOFZCWSA-N 1 2 458.606 4.508 20 0 JJADLO CCC1(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](Cc3ccc(OC)c(F)c3)CC2)CCOCC1 ZINC001546145999 1068700228 /nfs/dbraw/zinc/70/02/28/1068700228.db2.gz AVYHICSENAWOCX-UHFFFAOYSA-N 1 2 487.664 4.543 20 0 JJADLO Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC001464373618 1068722430 /nfs/dbraw/zinc/72/24/30/1068722430.db2.gz BLPGQZMOPKEBRY-INIZCTEOSA-N 1 2 453.564 4.920 20 0 JJADLO Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC001464373618 1068722446 /nfs/dbraw/zinc/72/24/46/1068722446.db2.gz BLPGQZMOPKEBRY-INIZCTEOSA-N 1 2 453.564 4.920 20 0 JJADLO Cc1nc(NCc2cccc(C(=O)Nc3cc(Cl)ccc3OC[C@H]3CCCO3)c2)cc[nH+]1 ZINC001464470269 1068758973 /nfs/dbraw/zinc/75/89/73/1068758973.db2.gz JMYODRBWOLCUAJ-HXUWFJFHSA-N 1 2 452.942 4.861 20 0 JJADLO CCOC(=O)N=c1[nH]c2ccc(NC(=O)[C@H]3CCCC[N@@H+]3Cc3cccc(F)c3)cc2s1 ZINC001464514765 1068769898 /nfs/dbraw/zinc/76/98/98/1068769898.db2.gz YYXVCOILHLYZKP-LJQANCHMSA-N 1 2 456.543 4.997 20 0 JJADLO CCOC(=O)N=c1[nH]c2ccc(NC(=O)[C@H]3CCCC[N@H+]3Cc3cccc(F)c3)cc2s1 ZINC001464514765 1068769905 /nfs/dbraw/zinc/76/99/05/1068769905.db2.gz YYXVCOILHLYZKP-LJQANCHMSA-N 1 2 456.543 4.997 20 0 JJADLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1cccnc1Nc1cccc(C(F)(F)F)c1 ZINC001464526743 1068773459 /nfs/dbraw/zinc/77/34/59/1068773459.db2.gz BSMYEDBEDCMQPA-UHFFFAOYSA-N 1 2 456.468 4.929 20 0 JJADLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@H](C)Cc3cccc(Br)c3)c2C1 ZINC001464602376 1068796545 /nfs/dbraw/zinc/79/65/45/1068796545.db2.gz LDKAPRAECCJCCG-MRXNPFEDSA-N 1 2 452.396 4.736 20 0 JJADLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@H](C)Cc3cccc(Br)c3)c2C1 ZINC001464602376 1068796559 /nfs/dbraw/zinc/79/65/59/1068796559.db2.gz LDKAPRAECCJCCG-MRXNPFEDSA-N 1 2 452.396 4.736 20 0 JJADLO FC(F)(c1cc(Cl)nc(Cl)c1)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164419856 718889421 /nfs/dbraw/zinc/88/94/21/718889421.db2.gz RTSHVDPMYGJUHR-LBPRGKRZSA-N 1 2 478.124 4.921 20 0 JJADLO FC(F)(c1cnc(Cl)c(Cl)c1)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164420333 718889580 /nfs/dbraw/zinc/88/95/80/718889580.db2.gz UILHZAFMJOGXNS-ZDUSSCGKSA-N 1 2 478.124 4.921 20 0 JJADLO FC(F)(c1nc(Cl)c2ccccc2n1)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164417274 718890174 /nfs/dbraw/zinc/89/01/74/718890174.db2.gz IUFUQKGXHZTLQL-HNNXBMFYSA-N 1 2 494.727 4.816 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C(=O)OC(C)(C)C)ccn1)CC2 ZINC001164663093 719346753 /nfs/dbraw/zinc/34/67/53/719346753.db2.gz CNRUYGJGKBVRCL-UHFFFAOYSA-N 1 2 473.621 4.732 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C(=O)OC(C)(C)C)ccn1)CC2 ZINC001164663093 719346756 /nfs/dbraw/zinc/34/67/56/719346756.db2.gz CNRUYGJGKBVRCL-UHFFFAOYSA-N 1 2 473.621 4.732 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cnc3cccc(Cl)c3n1)CC2 ZINC001164664156 719347497 /nfs/dbraw/zinc/34/74/97/719347497.db2.gz SNIJIPICWKGOFO-UHFFFAOYSA-N 1 2 458.997 4.978 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cnc3cccc(Cl)c3n1)CC2 ZINC001164664156 719347498 /nfs/dbraw/zinc/34/74/98/719347498.db2.gz SNIJIPICWKGOFO-UHFFFAOYSA-N 1 2 458.997 4.978 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(Oc3ccccc3)ncn1)CC2 ZINC001164664175 719347800 /nfs/dbraw/zinc/34/78/00/719347800.db2.gz STKWNYDYGJWZRM-UHFFFAOYSA-N 1 2 466.589 4.964 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(Oc3ccccc3)ncn1)CC2 ZINC001164664175 719347805 /nfs/dbraw/zinc/34/78/05/719347805.db2.gz STKWNYDYGJWZRM-UHFFFAOYSA-N 1 2 466.589 4.964 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3c1CCCC3)CC2 ZINC001164664522 719347923 /nfs/dbraw/zinc/34/79/23/719347923.db2.gz WWTPLQKMOOMGDB-UHFFFAOYSA-N 1 2 463.029 4.704 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3c1CCCC3)CC2 ZINC001164664522 719347924 /nfs/dbraw/zinc/34/79/24/719347924.db2.gz WWTPLQKMOOMGDB-UHFFFAOYSA-N 1 2 463.029 4.704 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3[nH]cc(C)c31)CC2 ZINC001164663406 719348170 /nfs/dbraw/zinc/34/81/70/719348170.db2.gz GDGJHOQBQYOUBR-UHFFFAOYSA-N 1 2 462.001 4.614 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3[nH]cc(C)c31)CC2 ZINC001164663406 719348172 /nfs/dbraw/zinc/34/81/72/719348172.db2.gz GDGJHOQBQYOUBR-UHFFFAOYSA-N 1 2 462.001 4.614 20 0 JJADLO CCOC(=O)c1cc2cccnc2nc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@H+]2CC ZINC001164664485 719349649 /nfs/dbraw/zinc/34/96/49/719349649.db2.gz VNODHPGFHXKIDM-UHFFFAOYSA-N 1 2 496.615 4.501 20 0 JJADLO CCOC(=O)c1cc2cccnc2nc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@@H+]2CC ZINC001164664485 719349653 /nfs/dbraw/zinc/34/96/53/719349653.db2.gz VNODHPGFHXKIDM-UHFFFAOYSA-N 1 2 496.615 4.501 20 0 JJADLO CCc1cc2c(ncnc2N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@H+]3CC)s1 ZINC001164663504 719349775 /nfs/dbraw/zinc/34/97/75/719349775.db2.gz IPGZWKKFWDKTGY-UHFFFAOYSA-N 1 2 458.635 4.948 20 0 JJADLO CCc1cc2c(ncnc2N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@@H+]3CC)s1 ZINC001164663504 719349777 /nfs/dbraw/zinc/34/97/77/719349777.db2.gz IPGZWKKFWDKTGY-UHFFFAOYSA-N 1 2 458.635 4.948 20 0 JJADLO CCOC(=O)c1c(C)cc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CCN3CC)[nH+]c1C ZINC001164660509 719351706 /nfs/dbraw/zinc/35/17/06/719351706.db2.gz UPARRHULVVTHEV-UHFFFAOYSA-N 1 2 473.621 4.570 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(-c3ccc(C)o3)nn1)CC2 ZINC001164658591 719354312 /nfs/dbraw/zinc/35/43/12/719354312.db2.gz JXUKENSHOXCSTQ-UHFFFAOYSA-N 1 2 454.578 4.740 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(-c3ccc(C)o3)nn1)CC2 ZINC001164658591 719354316 /nfs/dbraw/zinc/35/43/16/719354316.db2.gz JXUKENSHOXCSTQ-UHFFFAOYSA-N 1 2 454.578 4.740 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(-c3ccccn3)nc(C)c1C)CC2 ZINC001164658482 719354462 /nfs/dbraw/zinc/35/44/62/719354462.db2.gz HONZVTJFIDHSTA-UHFFFAOYSA-N 1 2 479.632 4.850 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(-c3ccccn3)nc(C)c1C)CC2 ZINC001164658482 719354467 /nfs/dbraw/zinc/35/44/67/719354467.db2.gz HONZVTJFIDHSTA-UHFFFAOYSA-N 1 2 479.632 4.850 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccnc(Cc3ccccc3)n1)CC2 ZINC001164658465 719354577 /nfs/dbraw/zinc/35/45/77/719354577.db2.gz HJXBVEIWCDEHFL-UHFFFAOYSA-N 1 2 464.617 4.762 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccnc(Cc3ccccc3)n1)CC2 ZINC001164658465 719354580 /nfs/dbraw/zinc/35/45/80/719354580.db2.gz HJXBVEIWCDEHFL-UHFFFAOYSA-N 1 2 464.617 4.762 20 0 JJADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2ccc(-c4ccc(Cl)cc4)nn2)CC3)cc1 ZINC001164673161 719496285 /nfs/dbraw/zinc/49/62/85/719496285.db2.gz ORMIPOSBEGSFQY-UHFFFAOYSA-N 1 2 452.961 4.808 20 0 JJADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2ccc(-c4ccc(Cl)cc4)nn2)CC3)cc1 ZINC001164673161 719496288 /nfs/dbraw/zinc/49/62/88/719496288.db2.gz ORMIPOSBEGSFQY-UHFFFAOYSA-N 1 2 452.961 4.808 20 0 JJADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nc4ccc(Cl)cc4nc2Cl)CC3)cc1 ZINC001164674421 719501325 /nfs/dbraw/zinc/50/13/25/719501325.db2.gz WYYGCJRTEOQWJR-UHFFFAOYSA-N 1 2 461.368 4.947 20 0 JJADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nc4ccc(Cl)cc4nc2Cl)CC3)cc1 ZINC001164674421 719501334 /nfs/dbraw/zinc/50/13/34/719501334.db2.gz WYYGCJRTEOQWJR-UHFFFAOYSA-N 1 2 461.368 4.947 20 0 JJADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2ncc(Cl)nc2-c2ccccc2)CC3)cc1 ZINC001164678579 719526106 /nfs/dbraw/zinc/52/61/06/719526106.db2.gz LWSAHYBCFVOUON-UHFFFAOYSA-N 1 2 452.961 4.808 20 0 JJADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2ncc(Cl)nc2-c2ccccc2)CC3)cc1 ZINC001164678579 719526113 /nfs/dbraw/zinc/52/61/13/719526113.db2.gz LWSAHYBCFVOUON-UHFFFAOYSA-N 1 2 452.961 4.808 20 0 JJADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2c(Cl)nnc(Cl)c2N2CCCCC2)CC3)cc1 ZINC001164679103 719531940 /nfs/dbraw/zinc/53/19/40/719531940.db2.gz SFESNUHVYOGBJA-UHFFFAOYSA-N 1 2 494.442 4.784 20 0 JJADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2c(Cl)nnc(Cl)c2N2CCCCC2)CC3)cc1 ZINC001164679103 719531949 /nfs/dbraw/zinc/53/19/49/719531949.db2.gz SFESNUHVYOGBJA-UHFFFAOYSA-N 1 2 494.442 4.784 20 0 JJADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1ccc(-c2ccnc(Cl)c2)cc1 ZINC001164725995 720312326 /nfs/dbraw/zinc/31/23/26/720312326.db2.gz XHIVBAYIDBXRQZ-NRFANRHFSA-N 1 2 473.955 4.964 20 0 JJADLO FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164759309 720979409 /nfs/dbraw/zinc/97/94/09/720979409.db2.gz ZYQRSSVCAQVOBG-KRWDZBQOSA-N 1 2 459.928 4.601 20 0 JJADLO FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164757961 720982635 /nfs/dbraw/zinc/98/26/35/720982635.db2.gz RLQMVIBRDCCQGB-KRWDZBQOSA-N 1 2 459.928 4.601 20 0 JJADLO FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164876007 721220673 /nfs/dbraw/zinc/22/06/73/721220673.db2.gz ZBVSGXNCHCQZTG-UHFFFAOYSA-N 1 2 480.346 4.752 20 0 JJADLO FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164767070 721275256 /nfs/dbraw/zinc/27/52/56/721275256.db2.gz FIHPTIAOUIJNMS-QGZVFWFLSA-N 1 2 482.922 4.649 20 0 JJADLO FC(F)(c1cc(Cl)nc2c1CCCCC2)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164766284 721277659 /nfs/dbraw/zinc/27/76/59/721277659.db2.gz BOOLSHYHHOSGMB-KRWDZBQOSA-N 1 2 473.955 4.856 20 0 JJADLO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)Sc3ccc(Cl)nc3)C2)C1 ZINC001164787023 721375596 /nfs/dbraw/zinc/37/55/96/721375596.db2.gz WZGDDDIPISTQCN-FQEVSTJZSA-N 1 2 472.989 4.597 20 0 JJADLO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)Sc3ccc(Cl)nc3)C2)C1 ZINC001164787023 721375601 /nfs/dbraw/zinc/37/56/01/721375601.db2.gz WZGDDDIPISTQCN-FQEVSTJZSA-N 1 2 472.989 4.597 20 0 JJADLO Cc1ccc(-c2cc(C(F)(F)N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164781852 721438827 /nfs/dbraw/zinc/43/88/27/721438827.db2.gz GYCZFNUUMXSGKX-CALCHBBNSA-N 1 2 461.969 4.675 20 0 JJADLO Cc1ccc(-c2cc(C(F)(F)N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164781852 721438830 /nfs/dbraw/zinc/43/88/30/721438830.db2.gz GYCZFNUUMXSGKX-CALCHBBNSA-N 1 2 461.969 4.675 20 0 JJADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(-c3ccccc3)nc3ccc(Cl)cc31)C2 ZINC001165008240 721707005 /nfs/dbraw/zinc/70/70/05/721707005.db2.gz CZAXCRTXEGRXDX-UHFFFAOYSA-N 1 2 462.001 4.792 20 0 JJADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(-c3ccccc3)nc3ccc(Cl)cc31)C2 ZINC001165008240 721707009 /nfs/dbraw/zinc/70/70/09/721707009.db2.gz CZAXCRTXEGRXDX-UHFFFAOYSA-N 1 2 462.001 4.792 20 0 JJADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ncnc3scc(-c4ccc(Cl)cc4)c31)C2 ZINC001165010089 721712538 /nfs/dbraw/zinc/71/25/38/721712538.db2.gz ZLXSNKOLIMHGJM-UHFFFAOYSA-N 1 2 468.030 4.854 20 0 JJADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ncnc3scc(-c4ccc(Cl)cc4)c31)C2 ZINC001165010089 721712546 /nfs/dbraw/zinc/71/25/46/721712546.db2.gz ZLXSNKOLIMHGJM-UHFFFAOYSA-N 1 2 468.030 4.854 20 0 JJADLO Cc1ccc(-c2nnc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)c3ccccc32)cc1C ZINC001165009051 721713183 /nfs/dbraw/zinc/71/31/83/721713183.db2.gz NVLIYHOMJWXWBO-UHFFFAOYSA-N 1 2 455.610 4.756 20 0 JJADLO Cc1ccc(-c2nnc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)c3ccccc32)cc1C ZINC001165009051 721713190 /nfs/dbraw/zinc/71/31/90/721713190.db2.gz NVLIYHOMJWXWBO-UHFFFAOYSA-N 1 2 455.610 4.756 20 0 JJADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2cc(Cl)c(Cl)nc2Cl)CC1 ZINC001164917037 721818303 /nfs/dbraw/zinc/81/83/03/721818303.db2.gz AQVHHQTXYUYUCZ-UHFFFAOYSA-N 1 2 450.748 4.533 20 0 JJADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2cc(Cl)c(Cl)nc2Cl)CC1 ZINC001164917037 721818306 /nfs/dbraw/zinc/81/83/06/721818306.db2.gz AQVHHQTXYUYUCZ-UHFFFAOYSA-N 1 2 450.748 4.533 20 0 JJADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ncnc3cc(-c4ccc(Cl)cc4)sc32)CC1 ZINC001164917775 721818933 /nfs/dbraw/zinc/81/89/33/721818933.db2.gz HOUKMAZMONELNM-UHFFFAOYSA-N 1 2 465.026 4.958 20 0 JJADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc3ccc(Cl)cc3c(-c3ccccc3)n2)CC1 ZINC001164919065 721818995 /nfs/dbraw/zinc/81/89/95/721818995.db2.gz ZIEQTOIPUNOEQT-UHFFFAOYSA-N 1 2 458.997 4.896 20 0 JJADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ccc(-c3ccc(-c4ccccc4)cc3)nn2)CC1 ZINC001164919197 721820186 /nfs/dbraw/zinc/82/01/86/721820186.db2.gz OAPOURXQXGFITL-UHFFFAOYSA-N 1 2 450.590 4.757 20 0 JJADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1c(Cl)nc(Cl)c(Cl)c1Cl)CC2 ZINC001164945923 721972024 /nfs/dbraw/zinc/97/20/24/721972024.db2.gz UQISEOIIQXHPRP-UHFFFAOYSA-N 1 2 474.219 4.666 20 0 JJADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1c(Cl)nc(Cl)c(Cl)c1Cl)CC2 ZINC001164945923 721972026 /nfs/dbraw/zinc/97/20/26/721972026.db2.gz UQISEOIIQXHPRP-UHFFFAOYSA-N 1 2 474.219 4.666 20 0 JJADLO O=C1N(CC2CC2)[C@H](c2ccccc2)C12CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)CC2 ZINC001164999437 722221122 /nfs/dbraw/zinc/22/11/22/722221122.db2.gz RCRTYHKLNWFKHK-MUUNZHRXSA-N 1 2 493.655 4.615 20 0 JJADLO O=C1N(CC2CC2)[C@H](c2ccccc2)C12CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)CC2 ZINC001164999437 722221124 /nfs/dbraw/zinc/22/11/24/722221124.db2.gz RCRTYHKLNWFKHK-MUUNZHRXSA-N 1 2 493.655 4.615 20 0 JJADLO CC(C)c1nnc(N2CC[NH+](CCOc3ccccc3Cl)CC2)n1C[C@@H](C)c1nccs1 ZINC001359720990 1064268547 /nfs/dbraw/zinc/26/85/47/1064268547.db2.gz KGJGDYUXGRFWKQ-GOSISDBHSA-N 1 2 475.062 4.516 20 0 JJADLO CC(C)[C@@H]1CCCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001359731078 1064283954 /nfs/dbraw/zinc/28/39/54/1064283954.db2.gz HFIXXYMPSPINAO-BVYCBKJFSA-N 1 2 461.601 4.973 20 0 JJADLO CC(C)[C@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCNc2cccc[nH+]2)C1 ZINC001359739042 1064305285 /nfs/dbraw/zinc/30/52/85/1064305285.db2.gz KDNWFJGVPXSMSJ-IBGZPJMESA-N 1 2 456.541 4.926 20 0 JJADLO C[C@H](C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1ccc(I)cc1 ZINC001434920884 1064349057 /nfs/dbraw/zinc/34/90/57/1064349057.db2.gz PMBZOLUWXMPGGZ-LBPRGKRZSA-N 1 2 451.695 4.873 20 0 JJADLO CC(C)[C@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2CCCNc2cccc[nH+]2)CCO1 ZINC001359756522 1064354129 /nfs/dbraw/zinc/35/41/29/1064354129.db2.gz TUYDHQLEKMEZFD-OAQYLSRUSA-N 1 2 487.073 4.982 20 0 JJADLO CC(C)Cc1nnc(N(C)CCC2CCOCC2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001359784408 1064437610 /nfs/dbraw/zinc/43/76/10/1064437610.db2.gz AHUXWTGGGPYVPQ-UHFFFAOYSA-N 1 2 454.663 4.553 20 0 JJADLO CC(C)Cc1nnc(N(C)[C@@H](C)C2CCCCC2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001359786303 1064439744 /nfs/dbraw/zinc/43/97/44/1064439744.db2.gz RSWUWCDMHRRWLL-DHLKQENFSA-N 1 2 453.675 4.783 20 0 JJADLO CC(C)Cc1nnc(N(C)[C@@H](C)C2CCCCC2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001359786303 1064439751 /nfs/dbraw/zinc/43/97/51/1064439751.db2.gz RSWUWCDMHRRWLL-DHLKQENFSA-N 1 2 453.675 4.783 20 0 JJADLO CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC001359789787 1064446493 /nfs/dbraw/zinc/44/64/93/1064446493.db2.gz KDMZDVDXDCZJFY-VQTJNVASSA-N 1 2 480.613 4.735 20 0 JJADLO CC(C)Cc1nnc(N2CCN(c3cccc[nH+]3)CC2)n1Cc1ccccc1NC(=O)OC(C)(C)C ZINC001359853155 1064540533 /nfs/dbraw/zinc/54/05/33/1064540533.db2.gz DABHNAQXIODIGU-UHFFFAOYSA-N 1 2 491.640 4.594 20 0 JJADLO CC(C)Cc1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001359864897 1064554987 /nfs/dbraw/zinc/55/49/87/1064554987.db2.gz TZGUVUIIMMSBNF-JOCHJYFZSA-N 1 2 454.663 4.552 20 0 JJADLO CC(C)C[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001359879499 1064572866 /nfs/dbraw/zinc/57/28/66/1064572866.db2.gz XCFXCOIZPGJFJU-SFHVURJKSA-N 1 2 470.568 4.928 20 0 JJADLO CC(C)C[C@@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001359887403 1064583473 /nfs/dbraw/zinc/58/34/73/1064583473.db2.gz UTJOFLFSGFYJGT-PMACEKPBSA-N 1 2 478.106 4.817 20 0 JJADLO CC(C)C[C@@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001359887403 1064583479 /nfs/dbraw/zinc/58/34/79/1064583479.db2.gz UTJOFLFSGFYJGT-PMACEKPBSA-N 1 2 478.106 4.817 20 0 JJADLO CC(C)CCCn1c(-c2cccnc2)nnc1N1CC[NH+]([C@@H](C)c2ccc(F)cc2F)CC1 ZINC001359904778 1064619663 /nfs/dbraw/zinc/61/96/63/1064619663.db2.gz XYRWMFZNLRLOFO-IBGZPJMESA-N 1 2 454.569 4.938 20 0 JJADLO CC(C)CCN(C)c1nnc(-c2cccc(Br)c2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001359910965 1064627651 /nfs/dbraw/zinc/62/76/51/1064627651.db2.gz GZBCORHEHVFDTP-UHFFFAOYSA-N 1 2 457.420 4.699 20 0 JJADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1 ZINC001435296094 1064672930 /nfs/dbraw/zinc/67/29/30/1064672930.db2.gz FXNRCTQGHCALQV-UHFFFAOYSA-N 1 2 457.500 4.665 20 0 JJADLO CC(C)CN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC1([NH+]2CCOCC2)CC1)C(C)C ZINC001359983743 1064761640 /nfs/dbraw/zinc/76/16/40/1064761640.db2.gz XPZYNMOQNYAUAW-FQEVSTJZSA-N 1 2 476.065 4.807 20 0 JJADLO CC(C)CN(c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC[N@@H+]1CCOC[C@H]1C)C(C)C ZINC001359986072 1064766688 /nfs/dbraw/zinc/76/66/88/1064766688.db2.gz XTNNUKLQUGOPTK-VQTJNVASSA-N 1 2 459.704 4.723 20 0 JJADLO CC(C)CN(c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC[N@H+]1CCOC[C@H]1C)C(C)C ZINC001359986072 1064766701 /nfs/dbraw/zinc/76/67/01/1064766701.db2.gz XTNNUKLQUGOPTK-VQTJNVASSA-N 1 2 459.704 4.723 20 0 JJADLO C[C@H](c1cccc(NC(=O)[C@@H]2CCCCCC[C@@H]2NC(=O)OC(C)(C)C)c1)[NH+]1CCOCC1 ZINC001359996806 1064782296 /nfs/dbraw/zinc/78/22/96/1064782296.db2.gz CYGGCVQIQNQOAG-PTUXOGIPSA-N 1 2 459.631 4.882 20 0 JJADLO COc1ccc(-c2nc(C)sc2CC(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)cc1 ZINC001359996951 1064782320 /nfs/dbraw/zinc/78/23/20/1064782320.db2.gz HKDZNBWKBYPTMX-QGZVFWFLSA-N 1 2 451.592 4.702 20 0 JJADLO COc1cc(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)cc(Br)c1OC ZINC001435582470 1064847763 /nfs/dbraw/zinc/84/77/63/1064847763.db2.gz LIQWCSYDEGUDNM-UHFFFAOYSA-N 1 2 454.324 4.634 20 0 JJADLO CC(C)(C)OC(=O)N1CCC[C@@H](CCC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC001435586057 1064850328 /nfs/dbraw/zinc/85/03/28/1064850328.db2.gz GFLCXHJPKHAWOX-IBGZPJMESA-N 1 2 450.583 4.968 20 0 JJADLO CC(C)COc1ccccc1Cn1c(N2CCc3c(cc[nH+]c3N(C)C)C2)nnc1C(C)(C)C ZINC001360054024 1064882881 /nfs/dbraw/zinc/88/28/81/1064882881.db2.gz GYUDUWSBVMHABF-UHFFFAOYSA-N 1 2 462.642 4.682 20 0 JJADLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cccc(Cn2nc(C)cc2C)c1 ZINC001435625796 1064887240 /nfs/dbraw/zinc/88/72/40/1064887240.db2.gz SJQZCFNDLMUQBV-NFQMXDRXSA-N 1 2 459.638 4.624 20 0 JJADLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cccc(Cn2nc(C)cc2C)c1 ZINC001435625796 1064887246 /nfs/dbraw/zinc/88/72/46/1064887246.db2.gz SJQZCFNDLMUQBV-NFQMXDRXSA-N 1 2 459.638 4.624 20 0 JJADLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(OCc2ccccc2)cn1 ZINC001435627272 1064889114 /nfs/dbraw/zinc/88/91/14/1064889114.db2.gz XPKPLPHZDVLUGW-IDISGSTGSA-N 1 2 458.606 4.737 20 0 JJADLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(OCc2ccccc2)cn1 ZINC001435627272 1064889122 /nfs/dbraw/zinc/88/91/22/1064889122.db2.gz XPKPLPHZDVLUGW-IDISGSTGSA-N 1 2 458.606 4.737 20 0 JJADLO Cc1nc(-c2ccccc2F)sc1C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC001435744195 1064968434 /nfs/dbraw/zinc/96/84/34/1064968434.db2.gz AIKDXHRLERUXDD-VQTJNVASSA-N 1 2 459.974 4.713 20 0 JJADLO Cc1nc(-c2ccccc2F)sc1C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC001435744195 1064968451 /nfs/dbraw/zinc/96/84/51/1064968451.db2.gz AIKDXHRLERUXDD-VQTJNVASSA-N 1 2 459.974 4.713 20 0 JJADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)c2ccc(Cl)cc2)C1 ZINC001435745639 1064969729 /nfs/dbraw/zinc/96/97/29/1064969729.db2.gz FFBUBPXNHFXXFV-YXYSEUPNSA-N 1 2 453.797 4.938 20 0 JJADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)c2ccc(Cl)cc2)C1 ZINC001435745639 1064969740 /nfs/dbraw/zinc/96/97/40/1064969740.db2.gz FFBUBPXNHFXXFV-YXYSEUPNSA-N 1 2 453.797 4.938 20 0 JJADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)c2ccc(Cl)cc2)C1 ZINC001435745637 1064969952 /nfs/dbraw/zinc/96/99/52/1064969952.db2.gz FFBUBPXNHFXXFV-JYAXBFRTSA-N 1 2 453.797 4.938 20 0 JJADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)c2ccc(Cl)cc2)C1 ZINC001435745637 1064969972 /nfs/dbraw/zinc/96/99/72/1064969972.db2.gz FFBUBPXNHFXXFV-JYAXBFRTSA-N 1 2 453.797 4.938 20 0 JJADLO COc1ccc2c(c1)CCC[C@H]2CNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC001435828335 1065012074 /nfs/dbraw/zinc/01/20/74/1065012074.db2.gz VOINBKRKHCTRJM-CVDCTZTESA-N 1 2 457.412 4.831 20 0 JJADLO C[C@@H](c1cccc(NC(=O)c2cc(CNC(=O)C(C)(C)C)ccc2Cl)c1)[NH+]1CCOCC1 ZINC001360179539 1065067916 /nfs/dbraw/zinc/06/79/16/1065067916.db2.gz NBZDPTBCRINFIA-KRWDZBQOSA-N 1 2 458.002 4.648 20 0 JJADLO O=C(Nc1cccc2[nH+]ccn21)C(F)(F)c1ccc(OC(F)(F)F)c(Br)c1 ZINC001360224325 1065087661 /nfs/dbraw/zinc/08/76/61/1065087661.db2.gz GAMVCASJULXFHZ-UHFFFAOYSA-N 1 2 450.161 4.726 20 0 JJADLO Cc1ccnc(-c2cccc(NC(=O)[C@H](c3cccc(Br)c3)[NH+]3CCCC3)c2)n1 ZINC001360423899 1065291926 /nfs/dbraw/zinc/29/19/26/1065291926.db2.gz GJNBINHKNKFNSE-NRFANRHFSA-N 1 2 451.368 4.990 20 0 JJADLO Cc1cc(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)nn1-c1cccc(C(F)(F)F)c1 ZINC001436458172 1065323133 /nfs/dbraw/zinc/32/31/33/1065323133.db2.gz YBSSZIXCYAUVPF-UHFFFAOYSA-N 1 2 459.859 4.969 20 0 JJADLO CC(C)(CC(=O)N(CCCn1cc[nH+]c1)c1ccc(Br)cn1)c1ccc(F)cc1 ZINC001436985862 1065487629 /nfs/dbraw/zinc/48/76/29/1065487629.db2.gz AIBFMTBDXTXONU-UHFFFAOYSA-N 1 2 459.363 4.971 20 0 JJADLO C[C@@H](CN(C)c1nnc(CC(C)(C)C)n1Cc1cccc(Cn2cc[nH+]c2)c1)c1nccs1 ZINC001360526572 1065505464 /nfs/dbraw/zinc/50/54/64/1065505464.db2.gz OTAJDYLCIWFXPH-IBGZPJMESA-N 1 2 463.655 4.856 20 0 JJADLO C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@H](C)c1cccs1)[NH+]1CCOCC1 ZINC001360542254 1065531591 /nfs/dbraw/zinc/53/15/91/1065531591.db2.gz ZBIBKFJXOOCDSD-HUUCEWRRSA-N 1 2 496.500 4.749 20 0 JJADLO CCN(C(=O)/C(C)=C\c1ccc(OC)c(F)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001360637797 1065700900 /nfs/dbraw/zinc/70/09/00/1065700900.db2.gz GQLHASLEQMOIAZ-JXAWBTAJSA-N 1 2 454.590 4.977 20 0 JJADLO CCN(C(=O)/C(C)=C/c1ccc(OC)c(F)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001360637798 1065701553 /nfs/dbraw/zinc/70/15/53/1065701553.db2.gz GQLHASLEQMOIAZ-NBVRZTHBSA-N 1 2 454.590 4.977 20 0 JJADLO CCN(C(=O)[C@H]1CCc2cc(OC)ccc2C1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001360637926 1065701573 /nfs/dbraw/zinc/70/15/73/1065701573.db2.gz NFIMKUHYZFISAE-QFIPXVFZSA-N 1 2 450.627 4.539 20 0 JJADLO O=C(NCCN(Cc1ccccc1)c1cccc[nH+]1)c1csc(-c2c(F)cccc2F)n1 ZINC001439111473 1065787904 /nfs/dbraw/zinc/78/79/04/1065787904.db2.gz ORRFAQNORXDAHQ-UHFFFAOYSA-N 1 2 450.514 4.920 20 0 JJADLO Cc1ccc(N(C(=O)C[N@H+](CCNC(=O)OC(C)(C)C)Cc2ccccc2)C2CCC2)cc1 ZINC001439257332 1065805051 /nfs/dbraw/zinc/80/50/51/1065805051.db2.gz SGYCVHWRBWJQJO-UHFFFAOYSA-N 1 2 451.611 4.907 20 0 JJADLO Cc1ccc(N(C(=O)C[N@@H+](CCNC(=O)OC(C)(C)C)Cc2ccccc2)C2CCC2)cc1 ZINC001439257332 1065805073 /nfs/dbraw/zinc/80/50/73/1065805073.db2.gz SGYCVHWRBWJQJO-UHFFFAOYSA-N 1 2 451.611 4.907 20 0 JJADLO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@H](C)[C@H]2C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001360755682 1065809767 /nfs/dbraw/zinc/80/97/67/1065809767.db2.gz HWBKNSWMYWRNSB-KSZLIROESA-N 1 2 455.006 4.816 20 0 JJADLO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@H](C)[C@@H]2C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001360755684 1065810279 /nfs/dbraw/zinc/81/02/79/1065810279.db2.gz HWBKNSWMYWRNSB-SQNIBIBYSA-N 1 2 455.006 4.816 20 0 JJADLO CC(C)[C@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001360768933 1065859185 /nfs/dbraw/zinc/85/91/85/1065859185.db2.gz AAEFYOCZIPEMBC-ICSRJNTNSA-N 1 2 452.578 4.549 20 0 JJADLO Cc1cc(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)c2cc(Br)ccc2n1 ZINC001360799536 1065910702 /nfs/dbraw/zinc/91/07/02/1065910702.db2.gz GLSPANYYTXHABY-UHFFFAOYSA-N 1 2 454.368 4.699 20 0 JJADLO Cc1cc(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)c2ccc(Br)cc2n1 ZINC001360799416 1065910780 /nfs/dbraw/zinc/91/07/80/1065910780.db2.gz FDHIOGPSELPRPJ-UHFFFAOYSA-N 1 2 454.368 4.699 20 0 JJADLO CC1(C)CN(c2nnc(-c3ccc(Cl)cc3)n2CCCNc2cccc[nH+]2)CC(C)(C)O1 ZINC001360820497 1065933458 /nfs/dbraw/zinc/93/34/58/1065933458.db2.gz CJHNYFDREKFBCX-UHFFFAOYSA-N 1 2 455.006 4.890 20 0 JJADLO Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@H](C(C)(C)C)C3)n2C[C@H](C)[NH+]2CCOCC2)c1C ZINC001360868742 1065993953 /nfs/dbraw/zinc/99/39/53/1065993953.db2.gz BIIVTXCHFISMQE-MDNUFGMLSA-N 1 2 469.674 4.628 20 0 JJADLO Cc1cccc(O[C@H](C)c2nnc(N(C)CC3CC(F)C3)n2Cc2ccc(N(C)C)[nH+]c2)c1C ZINC001360869948 1066000277 /nfs/dbraw/zinc/00/02/77/1066000277.db2.gz STSKYAHOPDUJHJ-JSRJAPPDSA-N 1 2 466.605 4.729 20 0 JJADLO Cc1cccc(O[C@@H](C)c2nnc(N(C)CC[NH+]3CCOCC3)n2CC(C)(C)c2cccs2)c1C ZINC001360870270 1066001625 /nfs/dbraw/zinc/00/16/25/1066001625.db2.gz WEYJKOAEZCYOHI-QFIPXVFZSA-N 1 2 497.709 4.843 20 0 JJADLO Cc1cccc(O[C@@H](C)c2nnc(N(Cc3ccco3)C(C)C)n2C[C@@H](C)[NH+]2CCOCC2)c1C ZINC001360870685 1066003312 /nfs/dbraw/zinc/00/33/12/1066003312.db2.gz PVGKYRLRIJRLRY-GGAORHGYSA-N 1 2 481.641 4.764 20 0 JJADLO Cc1ccc(-c2noc(CCC[NH+]3CCN(C(=O)c4cc(Cl)cc(Cl)c4)CC3)n2)cc1 ZINC001441186612 1066013184 /nfs/dbraw/zinc/01/31/84/1066013184.db2.gz LXWGXFLLQNMHDF-UHFFFAOYSA-N 1 2 459.377 4.742 20 0 JJADLO COc1ccc(NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)cc1NC(=O)OC(C)(C)C ZINC001441238187 1066018075 /nfs/dbraw/zinc/01/80/75/1066018075.db2.gz FIWKWLNHILQNKO-UHFFFAOYSA-N 1 2 456.568 4.870 20 0 JJADLO CCCn1ncc(C(=O)NC[C@H](c2ccc(SC)cc2)[N@@H+]2CCc3sccc3C2)c1C ZINC001441476012 1066045158 /nfs/dbraw/zinc/04/51/58/1066045158.db2.gz SEGYECXGJRMDJN-JOCHJYFZSA-N 1 2 454.665 4.914 20 0 JJADLO CCCn1ncc(C(=O)NC[C@H](c2ccc(SC)cc2)[N@H+]2CCc3sccc3C2)c1C ZINC001441476012 1066045171 /nfs/dbraw/zinc/04/51/71/1066045171.db2.gz SEGYECXGJRMDJN-JOCHJYFZSA-N 1 2 454.665 4.914 20 0 JJADLO Cc1ccc(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1NC(=O)NC(C)(C)C ZINC001441656749 1066058437 /nfs/dbraw/zinc/05/84/37/1066058437.db2.gz GBGXHECMHYBUJM-RTBURBONSA-N 1 2 452.599 4.777 20 0 JJADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001360906542 1066060362 /nfs/dbraw/zinc/06/03/62/1066060362.db2.gz ULBKMATYSMITSN-UHFFFAOYSA-N 1 2 452.599 4.736 20 0 JJADLO CC(C)(C)OC(=O)N1C[C@H](CC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c2ccccc21 ZINC001442026406 1066086396 /nfs/dbraw/zinc/08/63/96/1066086396.db2.gz ZUGVETDYCQAGCB-KRWDZBQOSA-N 1 2 456.612 4.997 20 0 JJADLO Cc1sc(CNC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)nc1-c1ccc(Cl)cc1 ZINC001442225190 1066103674 /nfs/dbraw/zinc/10/36/74/1066103674.db2.gz WRFXEZCHRIHYOV-HSZRJFAPSA-N 1 2 456.011 4.586 20 0 JJADLO C[C@H](NC(=O)c1sc(-c2ccccc2)nc1C(F)F)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001360963235 1066122830 /nfs/dbraw/zinc/12/28/30/1066122830.db2.gz CIVBWFQPSMBPDN-QFBILLFUSA-N 1 2 457.546 4.767 20 0 JJADLO C[C@H](NC(=O)c1sc(-c2ccccc2)nc1C(F)F)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001360963235 1066122833 /nfs/dbraw/zinc/12/28/33/1066122833.db2.gz CIVBWFQPSMBPDN-QFBILLFUSA-N 1 2 457.546 4.767 20 0 JJADLO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C(C)C)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001360984402 1066146203 /nfs/dbraw/zinc/14/62/03/1066146203.db2.gz VXEYUTSAEPPGNG-UHFFFAOYSA-N 1 2 489.668 4.773 20 0 JJADLO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CC[NH+]2CCOCC2)n1CC1CCCC1 ZINC001360990286 1066167312 /nfs/dbraw/zinc/16/73/12/1066167312.db2.gz SCEWBNGIECJTKL-HXUWFJFHSA-N 1 2 476.065 4.647 20 0 JJADLO Cc1cc(C)cc(OCc2nnc(N(C)CCC(F)F)n2Cc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC001361022534 1066218072 /nfs/dbraw/zinc/21/80/72/1066218072.db2.gz UFNMAEDEWAYYJH-UHFFFAOYSA-N 1 2 484.595 4.999 20 0 JJADLO O=C(CCOc1ccc(Cl)cc1Br)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001454255077 1066258431 /nfs/dbraw/zinc/25/84/31/1066258431.db2.gz DUNDBYHVKCWPKN-QGZVFWFLSA-N 1 2 458.183 4.698 20 0 JJADLO Cc1nc(NCc2cccc(C(=O)Nc3ccc(N4CCOC[C@H]4C)c(Cl)c3)c2)cc[nH+]1 ZINC001454356551 1066275157 /nfs/dbraw/zinc/27/51/57/1066275157.db2.gz KHLCDABKKQGIJH-MRXNPFEDSA-N 1 2 451.958 4.528 20 0 JJADLO CCOc1ccc(-c2nc(CC)c(C(=O)N3CC[NH2+][C@H](c4cccc(OC)c4)C3)s2)cc1 ZINC001454480099 1066290827 /nfs/dbraw/zinc/29/08/27/1066290827.db2.gz YCVDJECBDSDXIW-QFIPXVFZSA-N 1 2 451.592 4.567 20 0 JJADLO O=C(Nc1cccc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)c1)Nc1ccc(Cl)c(Cl)c1 ZINC001443386913 1066304579 /nfs/dbraw/zinc/30/45/79/1066304579.db2.gz OMMLBNMUDCIJJM-UHFFFAOYSA-N 1 2 457.317 4.936 20 0 JJADLO O=C(Cc1ccc(-n2cc[nH+]c2)cc1)N1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC001443457369 1066314273 /nfs/dbraw/zinc/31/42/73/1066314273.db2.gz IGFGBRUGPWMIAU-NRFANRHFSA-N 1 2 457.361 4.741 20 0 JJADLO O=C(Nc1ccc([C@@H](O)C(F)(F)F)cc1)[C@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001454766359 1066331803 /nfs/dbraw/zinc/33/18/03/1066331803.db2.gz IERDWXFHLCMTQV-ZWKOTPCHSA-N 1 2 457.290 4.820 20 0 JJADLO O=C(C[C@H]1CCc2sccc2C1=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC001443636692 1066342087 /nfs/dbraw/zinc/34/20/87/1066342087.db2.gz XPQJVPQYQYINJH-MRXNPFEDSA-N 1 2 459.974 4.991 20 0 JJADLO Cc1c2ccccc2c(=O)[nH]c1C(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC001443637880 1066342116 /nfs/dbraw/zinc/34/21/16/1066342116.db2.gz ZXGXBTPOJDDEAI-UHFFFAOYSA-N 1 2 452.917 4.971 20 0 JJADLO Cc1cc(N2CCN(c3nnc(C(C)(C)C)n3CCCc3cccc(F)c3)CC2)nc(C(C)C)[nH+]1 ZINC001361102869 1066352865 /nfs/dbraw/zinc/35/28/65/1066352865.db2.gz IHZWHJXYOPMKRO-UHFFFAOYSA-N 1 2 479.648 4.896 20 0 JJADLO Cc1cc(N2CCN(c3nnc(CC(C)(C)C)n3CC3CCCCC3)CC2)nc(C(C)C)[nH+]1 ZINC001361105553 1066354898 /nfs/dbraw/zinc/35/48/98/1066354898.db2.gz OCNQDKGIGKGSGC-UHFFFAOYSA-N 1 2 453.679 4.995 20 0 JJADLO Cc1cc(N2CCN(c3nnc(-c4ccccc4)n3CCOCCC(C)C)CC2)nc(C(C)C)[nH+]1 ZINC001361105815 1066355069 /nfs/dbraw/zinc/35/50/69/1066355069.db2.gz YCLWGGXSRPYWQL-UHFFFAOYSA-N 1 2 477.657 4.556 20 0 JJADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3cc4ccccc4cc3NC(=O)C(C)C)CC2)c1 ZINC001443726228 1066358039 /nfs/dbraw/zinc/35/80/39/1066358039.db2.gz FQSGHCOFIFOQTQ-FQEVSTJZSA-N 1 2 459.590 4.962 20 0 JJADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3cccc(COc4cccc(C=O)c4)c3)CC2)c1 ZINC001443739625 1066361396 /nfs/dbraw/zinc/36/13/96/1066361396.db2.gz ZJLHSFPSJSPYPJ-NRFANRHFSA-N 1 2 458.558 4.606 20 0 JJADLO CC(C)(C)OC(=O)NCC1(CC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)CCCCC1 ZINC001443763420 1066363605 /nfs/dbraw/zinc/36/36/05/1066363605.db2.gz UOGHRFFDHRJOPQ-RAXLEYEMSA-N 1 2 455.643 4.709 20 0 JJADLO C[C@H]1CCN(C(=O)C[N@H+](CCNC(=O)OC(C)(C)C)Cc2ccccc2)[C@@H](c2ccco2)C1 ZINC001361114851 1066366510 /nfs/dbraw/zinc/36/65/10/1066366510.db2.gz SNAVBLGAWBMMFL-RBBKRZOGSA-N 1 2 455.599 4.606 20 0 JJADLO C[C@H]1CCN(C(=O)C[N@@H+](CCNC(=O)OC(C)(C)C)Cc2ccccc2)[C@@H](c2ccco2)C1 ZINC001361114851 1066366529 /nfs/dbraw/zinc/36/65/29/1066366529.db2.gz SNAVBLGAWBMMFL-RBBKRZOGSA-N 1 2 455.599 4.606 20 0 JJADLO Cc1[nH]c(-c2ccc(NC(=O)c3cc(F)c(F)cc3I)cc2)[nH+]c1C ZINC001455249319 1066374717 /nfs/dbraw/zinc/37/47/17/1066374717.db2.gz VALAGTTYULGYJH-UHFFFAOYSA-N 1 2 453.230 4.829 20 0 JJADLO CCN(C(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC001443873282 1066379124 /nfs/dbraw/zinc/37/91/24/1066379124.db2.gz OOEBJQLDDCLVJA-MRXNPFEDSA-N 1 2 450.501 4.690 20 0 JJADLO CCN(C(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC001443873282 1066379145 /nfs/dbraw/zinc/37/91/45/1066379145.db2.gz OOEBJQLDDCLVJA-MRXNPFEDSA-N 1 2 450.501 4.690 20 0 JJADLO CCN(C(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC001443873279 1066379180 /nfs/dbraw/zinc/37/91/80/1066379180.db2.gz OOEBJQLDDCLVJA-INIZCTEOSA-N 1 2 450.501 4.690 20 0 JJADLO CCN(C(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC001443873279 1066379200 /nfs/dbraw/zinc/37/92/00/1066379200.db2.gz OOEBJQLDDCLVJA-INIZCTEOSA-N 1 2 450.501 4.690 20 0 JJADLO O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC001443893098 1066382123 /nfs/dbraw/zinc/38/21/23/1066382123.db2.gz QPDSRBSZLSSPON-ICSRJNTNSA-N 1 2 459.776 4.990 20 0 JJADLO O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC001443893098 1066382137 /nfs/dbraw/zinc/38/21/37/1066382137.db2.gz QPDSRBSZLSSPON-ICSRJNTNSA-N 1 2 459.776 4.990 20 0 JJADLO O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC001443893083 1066382167 /nfs/dbraw/zinc/38/21/67/1066382167.db2.gz QPDSRBSZLSSPON-AZUAARDMSA-N 1 2 459.776 4.990 20 0 JJADLO O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC001443893083 1066382181 /nfs/dbraw/zinc/38/21/81/1066382181.db2.gz QPDSRBSZLSSPON-AZUAARDMSA-N 1 2 459.776 4.990 20 0 JJADLO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@H](CC(C)C)C3)n2C[C@@H](C)[NH+]2CCOCC2)c1 ZINC001361126244 1066383237 /nfs/dbraw/zinc/38/32/37/1066383237.db2.gz OZILTCXQUJJYFJ-DNQXCXABSA-N 1 2 483.701 4.882 20 0 JJADLO CC[C@@H](C(=O)N(C)[C@@H](c1ccccc1)c1ccccc1Br)[N@@H+]1CCO[C@H](CC)C1 ZINC001455454219 1066391837 /nfs/dbraw/zinc/39/18/37/1066391837.db2.gz PABUPEVSNWRZPP-OIBXWCBGSA-N 1 2 459.428 4.886 20 0 JJADLO CC[C@@H](C(=O)N(C)[C@@H](c1ccccc1)c1ccccc1Br)[N@H+]1CCO[C@H](CC)C1 ZINC001455454219 1066391847 /nfs/dbraw/zinc/39/18/47/1066391847.db2.gz PABUPEVSNWRZPP-OIBXWCBGSA-N 1 2 459.428 4.886 20 0 JJADLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2cccc3[nH]c(=O)n(CC(C)(C)C)c32)CC1 ZINC001455451366 1066392082 /nfs/dbraw/zinc/39/20/82/1066392082.db2.gz ALPIJXSIYNVYBQ-QFIPXVFZSA-N 1 2 452.574 4.836 20 0 JJADLO CN(C)c1ccc([NH+]2CCC(NC(=O)c3ccc(-c4cccc(Cl)c4)[nH]c3=O)CC2)cc1 ZINC001361128894 1066393488 /nfs/dbraw/zinc/39/34/88/1066393488.db2.gz JNQOBWHZBGJPDY-UHFFFAOYSA-N 1 2 450.970 4.572 20 0 JJADLO Cc1ccc(C)c(OCc2nnc(N(C)[C@@H](C)c3cccs3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)c1 ZINC001361144574 1066426860 /nfs/dbraw/zinc/42/68/60/1066426860.db2.gz JPDLTEHIFJORAL-QFIPXVFZSA-N 1 2 496.725 4.759 20 0 JJADLO Cc1ccc(C)c(OCc2nnc(N(C)[C@@H](C)c3cccs3)n2CC[N@H+]2CCN(C)C(C)(C)C2)c1 ZINC001361144574 1066426866 /nfs/dbraw/zinc/42/68/66/1066426866.db2.gz JPDLTEHIFJORAL-QFIPXVFZSA-N 1 2 496.725 4.759 20 0 JJADLO Cc1ccc(C)c(OCc2nnc(N(C)CC[NH+]3CCOCC3)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC001361148945 1066438188 /nfs/dbraw/zinc/43/81/88/1066438188.db2.gz CHWLUNUKVGDQSD-RTWAWAEBSA-N 1 2 495.590 4.536 20 0 JJADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1sc(Cc2ccc(F)cc2)nc1C ZINC001361160844 1066466540 /nfs/dbraw/zinc/46/65/40/1066466540.db2.gz BSSUGYHHNUQNNU-UHFFFAOYSA-N 1 2 452.599 4.955 20 0 JJADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Cc1c[nH]c2cccc(Br)c12 ZINC001361161238 1066467066 /nfs/dbraw/zinc/46/70/66/1066467066.db2.gz JLEDAVPDGJMRGT-UHFFFAOYSA-N 1 2 455.400 4.633 20 0 JJADLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)COc1ccc(Cl)c2ccccc12 ZINC001361172790 1066490000 /nfs/dbraw/zinc/49/00/00/1066490000.db2.gz JTEXEFXPKHEKFY-HXUWFJFHSA-N 1 2 452.982 4.622 20 0 JJADLO C[C@H](c1cccc(NC(=O)[C@@H](CC2CCCCC2)NC(=O)OC(C)(C)C)c1)[NH+]1CCOCC1 ZINC001456181717 1066531480 /nfs/dbraw/zinc/53/14/80/1066531480.db2.gz WDOLYFDPNXPNPL-AUSIDOKSSA-N 1 2 459.631 4.882 20 0 JJADLO CC[C@@H](C)n1nc(C)c(-c2cc(C(=O)N3CC[NH+](C4CCC(C(C)C)CC4)CC3)n[nH]2)c1C ZINC001445266994 1066550028 /nfs/dbraw/zinc/55/00/28/1066550028.db2.gz DJJLSGWSLYOXBO-OSFYOIPJSA-N 1 2 454.663 4.834 20 0 JJADLO Cc1ccc(-c2nnc(N3CCC[C@H](N(C)C(=O)OC(C)(C)C)C3)n2CCCNc2cccc[nH+]2)o1 ZINC001361214644 1066551194 /nfs/dbraw/zinc/55/11/94/1066551194.db2.gz UEZFQUJLPFNYCB-FQEVSTJZSA-N 1 2 495.628 4.579 20 0 JJADLO COc1cccc([C@@H](NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)c2cc(F)ccc2OC)c1 ZINC001445399265 1066567061 /nfs/dbraw/zinc/56/70/61/1066567061.db2.gz YWJMFOHNYAMIOZ-ATIYNZHBSA-N 1 2 459.521 4.994 20 0 JJADLO O=C(CS[C@H](c1ccccc1)c1ccc(Cl)cc1)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC001445526753 1066582581 /nfs/dbraw/zinc/58/25/81/1066582581.db2.gz MRRODZSMOKQDHJ-VDKIKQQVSA-N 1 2 459.055 4.922 20 0 JJADLO Cc1ccc(CNC(=O)[C@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)c(O[C@H](C)CC(C)C)c1 ZINC001446146104 1066666493 /nfs/dbraw/zinc/66/64/93/1066666493.db2.gz OSDZFZDZYFXOMN-YADHBBJMSA-N 1 2 455.618 4.774 20 0 JJADLO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1sc(-c2ccccc2)nc1C(F)F ZINC001456734459 1066677480 /nfs/dbraw/zinc/67/74/80/1066677480.db2.gz VNIFDXCNMKKDAM-QGZVFWFLSA-N 1 2 456.562 4.688 20 0 JJADLO O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC001446288461 1066686015 /nfs/dbraw/zinc/68/60/15/1066686015.db2.gz NHCXUZBIFQLUIV-VWLOTQADSA-N 1 2 456.590 4.640 20 0 JJADLO Cc1cn2c([nH+]1)[C@@H](Cn1c(-c3ccc(Br)cc3)nnc1N(C)CC(F)(F)F)CCC2 ZINC001492628936 1066700840 /nfs/dbraw/zinc/70/08/40/1066700840.db2.gz PSFJCRPLNCMBTQ-OAHLLOKOSA-N 1 2 483.336 4.789 20 0 JJADLO Cc1cn2c([nH+]1)[C@H](Cn1c(CC(C)C)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1)CCC2 ZINC001492628838 1066700956 /nfs/dbraw/zinc/70/09/56/1066700956.db2.gz NZDGAFGKQPNZGV-IRLDBZIGSA-N 1 2 499.704 4.689 20 0 JJADLO Cc1cc(C)n(CCCC(=O)N2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)n1 ZINC001446529055 1066715852 /nfs/dbraw/zinc/71/58/52/1066715852.db2.gz NPWXZTWTYUISTC-AREMUKBSSA-N 1 2 451.014 4.867 20 0 JJADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1c(C)nc(-c2ccco2)nc1SC ZINC001456933014 1066725078 /nfs/dbraw/zinc/72/50/78/1066725078.db2.gz SHUWMSAPHYVHRT-UHFFFAOYSA-N 1 2 451.596 4.541 20 0 JJADLO Cn1c(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)ccc1-c1ccc(Br)cc1 ZINC001446716842 1066734001 /nfs/dbraw/zinc/73/40/01/1066734001.db2.gz QUZOWVJPLCESJP-UHFFFAOYSA-N 1 2 455.400 4.984 20 0 JJADLO Cc1csc(CN(C)c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[N@@H+]2CCOCC2(C)C)c1 ZINC001492645376 1066745876 /nfs/dbraw/zinc/74/58/76/1066745876.db2.gz TYTNAHSVWPDIFQ-LJQANCHMSA-N 1 2 487.645 4.674 20 0 JJADLO Cc1csc(CN(C)c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[N@H+]2CCOCC2(C)C)c1 ZINC001492645376 1066745883 /nfs/dbraw/zinc/74/58/83/1066745883.db2.gz TYTNAHSVWPDIFQ-LJQANCHMSA-N 1 2 487.645 4.674 20 0 JJADLO CN(CCC[N@H+](C)Cc1cc(Br)sc1Br)C(=O)OC(C)(C)C ZINC001560888545 1066779131 /nfs/dbraw/zinc/77/91/31/1066779131.db2.gz GNKMJGORNJQDON-UHFFFAOYSA-N 1 2 456.244 4.962 20 0 JJADLO CN(CCC[N@@H+](C)Cc1cc(Br)sc1Br)C(=O)OC(C)(C)C ZINC001560888545 1066779139 /nfs/dbraw/zinc/77/91/39/1066779139.db2.gz GNKMJGORNJQDON-UHFFFAOYSA-N 1 2 456.244 4.962 20 0 JJADLO Cc1nc(Cc2nnc(N(C)Cc3ccccc3Cl)n2CCCNc2cccc[nH+]2)cs1 ZINC001492665792 1066787806 /nfs/dbraw/zinc/78/78/06/1066787806.db2.gz VTJUUXSGALRNIH-UHFFFAOYSA-N 1 2 468.030 4.821 20 0 JJADLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)NC1(c2noc(CC3CCCC3)n2)CCCCCC1 ZINC001447327881 1066793454 /nfs/dbraw/zinc/79/34/54/1066793454.db2.gz HNCGPDFVAYGKBI-QGZVFWFLSA-N 1 2 453.509 4.858 20 0 JJADLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)NC1(c2noc(CC3CCCC3)n2)CCCCCC1 ZINC001447327872 1066793592 /nfs/dbraw/zinc/79/35/92/1066793592.db2.gz HNCGPDFVAYGKBI-KRWDZBQOSA-N 1 2 453.509 4.858 20 0 JJADLO CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)C1 ZINC001457287733 1066804393 /nfs/dbraw/zinc/80/43/93/1066804393.db2.gz ZAWQUQXMMRMBLP-IBGZPJMESA-N 1 2 452.986 4.521 20 0 JJADLO CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(C(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)C1 ZINC001457287740 1066804551 /nfs/dbraw/zinc/80/45/51/1066804551.db2.gz ZAWQUQXMMRMBLP-LJQANCHMSA-N 1 2 452.986 4.521 20 0 JJADLO O=C(CCc1ncc(-c2ccccc2F)o1)NCCc1cn(Cc2ccc(Cl)cc2)c[nH+]1 ZINC001457354618 1066815401 /nfs/dbraw/zinc/81/54/01/1066815401.db2.gz FSLKMGLHBCPCCJ-UHFFFAOYSA-N 1 2 452.917 4.670 20 0 JJADLO Cc1ncc(CN(C)c2nnc(-c3ccc(Cl)cc3F)n2Cc2ccc(N(C)C)[nH+]c2)s1 ZINC001492695549 1066842911 /nfs/dbraw/zinc/84/29/11/1066842911.db2.gz FREVBMVLXOVJJZ-UHFFFAOYSA-N 1 2 471.993 4.648 20 0 JJADLO CC1CC[NH+](Cc2csc(NC(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)(C)C)n2)CC1 ZINC001457506243 1066846013 /nfs/dbraw/zinc/84/60/13/1066846013.db2.gz WWVSBAFETIIJFY-HXUWFJFHSA-N 1 2 458.628 4.655 20 0 JJADLO Cc1ncc(C[NH+]2CCN(c3nnc(CC(C)C)n3[C@@H]3CCC[C@@H](C(F)(F)F)C3)CC2)s1 ZINC001492701737 1066859342 /nfs/dbraw/zinc/85/93/42/1066859342.db2.gz DWSFWBHFSDULGY-QZTJIDSGSA-N 1 2 470.609 4.857 20 0 JJADLO Cc1ccc(I)cc1NC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001447863759 1066871759 /nfs/dbraw/zinc/87/17/59/1066871759.db2.gz FYJCRJFQOXCDAA-LJQANCHMSA-N 1 2 452.311 4.732 20 0 JJADLO Cc1ccc(I)cc1NC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001447863759 1066871769 /nfs/dbraw/zinc/87/17/69/1066871769.db2.gz FYJCRJFQOXCDAA-LJQANCHMSA-N 1 2 452.311 4.732 20 0 JJADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 ZINC001457725775 1066905225 /nfs/dbraw/zinc/90/52/25/1066905225.db2.gz QQPILFSLUPKNNM-QHCPKHFHSA-N 1 2 455.917 4.778 20 0 JJADLO O=C(Nc1cc(O)c(Br)cc1Br)c1ccc(C[NH+]2CCCCC2)o1 ZINC001457783194 1066918959 /nfs/dbraw/zinc/91/89/59/1066918959.db2.gz BZMUFBBQYTXTCP-UHFFFAOYSA-N 1 2 458.150 4.748 20 0 JJADLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N2CCC(F)(c3ccccc3C(F)(F)F)CC2)cc1 ZINC001448475886 1066930653 /nfs/dbraw/zinc/93/06/53/1066930653.db2.gz MJTUSKTZDXKGFB-NRFANRHFSA-N 1 2 450.476 4.776 20 0 JJADLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)N2CCC(F)(c3ccccc3C(F)(F)F)CC2)cc1 ZINC001448475886 1066930665 /nfs/dbraw/zinc/93/06/65/1066930665.db2.gz MJTUSKTZDXKGFB-NRFANRHFSA-N 1 2 450.476 4.776 20 0 JJADLO Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)cc1 ZINC001448537356 1066937180 /nfs/dbraw/zinc/93/71/80/1066937180.db2.gz GDXPQQIJKWMLFN-UHFFFAOYSA-N 1 2 457.983 4.763 20 0 JJADLO O=C(Cc1cc(F)ccc1Br)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC001448618373 1066942877 /nfs/dbraw/zinc/94/28/77/1066942877.db2.gz AZEOELBGAVMMRL-UHFFFAOYSA-N 1 2 450.739 4.710 20 0 JJADLO CCCc1c(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cnn1-c1cc(F)c(OC)cc1F ZINC001448671434 1066948081 /nfs/dbraw/zinc/94/80/81/1066948081.db2.gz GFQUETZXBTYULJ-UHFFFAOYSA-N 1 2 451.477 4.609 20 0 JJADLO Cc1cccc(OCCC(=O)N2CC[NH+](CCOC(c3ccccc3)c3ccccc3)CC2)c1 ZINC001546011368 1066981609 /nfs/dbraw/zinc/98/16/09/1066981609.db2.gz DTWVBOFMMXGVBS-UHFFFAOYSA-N 1 2 458.602 4.714 20 0 JJADLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(OC(F)(F)Cl)cc1 ZINC001458151384 1066989306 /nfs/dbraw/zinc/98/93/06/1066989306.db2.gz DQNYYODBRDRMFM-KKSFZXQISA-N 1 2 451.945 4.931 20 0 JJADLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(OC(F)(F)Cl)cc1 ZINC001458151384 1066989316 /nfs/dbraw/zinc/98/93/16/1066989316.db2.gz DQNYYODBRDRMFM-KKSFZXQISA-N 1 2 451.945 4.931 20 0 JJADLO CC[C@@H](c1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1CCCNc1cccc[nH+]1)c1ccccc1 ZINC001545731101 1066989624 /nfs/dbraw/zinc/98/96/24/1066989624.db2.gz JURXDCTVCSFWNS-CEWLAPEOSA-N 1 2 488.558 4.873 20 0 JJADLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(-c2c(F)cccc2F)no1 ZINC001458154567 1066990410 /nfs/dbraw/zinc/99/04/10/1066990410.db2.gz OBFBFBCMAMOHJK-ZHRRBRCNSA-N 1 2 454.521 4.696 20 0 JJADLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(-c2c(F)cccc2F)no1 ZINC001458154567 1066990418 /nfs/dbraw/zinc/99/04/18/1066990418.db2.gz OBFBFBCMAMOHJK-ZHRRBRCNSA-N 1 2 454.521 4.696 20 0 JJADLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cnc(OCC(C)C)c(Cl)c1 ZINC001458155720 1066990597 /nfs/dbraw/zinc/99/05/97/1066990597.db2.gz RDLBXPOKSHERPT-MBSDFSHPSA-N 1 2 459.034 4.846 20 0 JJADLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cnc(OCC(C)C)c(Cl)c1 ZINC001458155720 1066990610 /nfs/dbraw/zinc/99/06/10/1066990610.db2.gz RDLBXPOKSHERPT-MBSDFSHPSA-N 1 2 459.034 4.846 20 0 JJADLO CC[C@@H](c1nnc(N2CC[C@@H](C)[C@H](OC)C2)n1Cc1ccc(N(CC)CC)[nH+]c1)c1ccccc1 ZINC001545736658 1067000480 /nfs/dbraw/zinc/00/04/80/1067000480.db2.gz UAFRMYMRIPMADY-NQHRYMMQSA-N 1 2 476.669 4.971 20 0 JJADLO CC[C@@H](c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1C[C@@H](OC)[C@@H](C)CC)c1ccccc1 ZINC001545743853 1067010695 /nfs/dbraw/zinc/01/06/95/1067010695.db2.gz RXRKPLUYHSGSEZ-QUURXOELSA-N 1 2 476.669 4.905 20 0 JJADLO CC[C@@H](c1nnc(N2CC[NH+](Cc3cnc(C)s3)CC2)n1CCOC(C)(C)C)c1ccccc1 ZINC001545759584 1067043359 /nfs/dbraw/zinc/04/33/59/1067043359.db2.gz ZZDASXDXBAQMKS-HSZRJFAPSA-N 1 2 482.698 4.722 20 0 JJADLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)c2ccc(Br)cc2Cl)c2ccc(Cl)cc2)C1 ZINC001458451340 1067066158 /nfs/dbraw/zinc/06/61/58/1067066158.db2.gz HFEFGVSNKZCZMH-MSOLQXFVSA-N 1 2 458.183 4.558 20 0 JJADLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)c2ccc(Br)cc2Cl)c2ccc(Cl)cc2)C1 ZINC001458451340 1067066172 /nfs/dbraw/zinc/06/61/72/1067066172.db2.gz HFEFGVSNKZCZMH-MSOLQXFVSA-N 1 2 458.183 4.558 20 0 JJADLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)CCOc2ccc(Cl)c(Cl)c2)c2ccc(Cl)cc2)C1 ZINC001458454995 1067067064 /nfs/dbraw/zinc/06/70/64/1067067064.db2.gz PAFWYWKWITZGKP-TZIWHRDSSA-N 1 2 457.785 4.604 20 0 JJADLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)CCOc2ccc(Cl)c(Cl)c2)c2ccc(Cl)cc2)C1 ZINC001458454995 1067067071 /nfs/dbraw/zinc/06/70/71/1067067071.db2.gz PAFWYWKWITZGKP-TZIWHRDSSA-N 1 2 457.785 4.604 20 0 JJADLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)CSc2cc(Cl)ccc2Cl)c2ccc(Cl)cc2)C1 ZINC001458453838 1067067099 /nfs/dbraw/zinc/06/70/99/1067067099.db2.gz MRAPMTYJIVAVRX-XLIONFOSSA-N 1 2 459.826 4.927 20 0 JJADLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)CSc2cc(Cl)ccc2Cl)c2ccc(Cl)cc2)C1 ZINC001458453838 1067067110 /nfs/dbraw/zinc/06/71/10/1067067110.db2.gz MRAPMTYJIVAVRX-XLIONFOSSA-N 1 2 459.826 4.927 20 0 JJADLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)CCc2cccc(OC3CCCC3)c2)c2ccc(Cl)cc2)C1 ZINC001458456546 1067067920 /nfs/dbraw/zinc/06/79/20/1067067920.db2.gz SUITUMXINLRMPO-AOYPEHQESA-N 1 2 457.014 4.782 20 0 JJADLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)CCc2cccc(OC3CCCC3)c2)c2ccc(Cl)cc2)C1 ZINC001458456546 1067067930 /nfs/dbraw/zinc/06/79/30/1067067930.db2.gz SUITUMXINLRMPO-AOYPEHQESA-N 1 2 457.014 4.782 20 0 JJADLO Cn1cnc(-c2ccc(Br)cc2)c1NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC001450381277 1067074834 /nfs/dbraw/zinc/07/48/34/1067074834.db2.gz PVLHKQFCOULVKN-SFHVURJKSA-N 1 2 450.340 4.733 20 0 JJADLO CC(C)[C@H](O)[C@H](Nc1[nH+]cnc2c1cnn2-c1cccc(Br)c1)c1ccccc1 ZINC001458505382 1067077606 /nfs/dbraw/zinc/07/76/06/1067077606.db2.gz RZAJUEBNHWPJFC-UXHICEINSA-N 1 2 452.356 4.748 20 0 JJADLO CCC(CC)(Cn1c(COc2ccccc2F)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1)SC ZINC001545794400 1067092436 /nfs/dbraw/zinc/09/24/36/1067092436.db2.gz CFIBBSJDFSBZHG-UHFFFAOYSA-N 1 2 498.672 4.942 20 0 JJADLO C[C@H](c1ccccc1)n1c(=O)c2cc(Br)ccc2nc1SCc1c[nH+]cn1C ZINC001458827818 1067160372 /nfs/dbraw/zinc/16/03/72/1067160372.db2.gz UOUQKGHFEBUGNF-CQSZACIVSA-N 1 2 455.381 4.794 20 0 JJADLO CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccc(F)cc2)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001545826852 1067176786 /nfs/dbraw/zinc/17/67/86/1067176786.db2.gz VEWDMLNQGNBTOG-UYAOXDASSA-N 1 2 481.620 4.616 20 0 JJADLO CCC(CC)NC(=O)c1nnc(N(C)C/C(C)=C\c2ccccc2)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001545831874 1067182405 /nfs/dbraw/zinc/18/24/05/1067182405.db2.gz AEQQXILTSFJKHR-VUHHOQONSA-N 1 2 489.668 4.819 20 0 JJADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)Nc1cnc(-c2ccc(Br)s2)nc1 ZINC001452153632 1067210376 /nfs/dbraw/zinc/21/03/76/1067210376.db2.gz YJQHTYDIAJBPQE-HNNXBMFYSA-N 1 2 454.353 4.851 20 0 JJADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)Nc1cnc(-c2ccc(Br)s2)nc1 ZINC001452153633 1067210529 /nfs/dbraw/zinc/21/05/29/1067210529.db2.gz YJQHTYDIAJBPQE-OAHLLOKOSA-N 1 2 454.353 4.851 20 0 JJADLO CCCc1c(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)nnn1-c1cccc(C(C)C)c1 ZINC001459300575 1067286949 /nfs/dbraw/zinc/28/69/49/1067286949.db2.gz MRJNNCQQROEWDF-IBGZPJMESA-N 1 2 451.640 4.924 20 0 JJADLO COC(=O)[C@H](c1ccc(Cl)cc1)N1CC[NH+]([C@H](C)c2cccc(Br)c2)CC1 ZINC001459307186 1067289745 /nfs/dbraw/zinc/28/97/45/1067289745.db2.gz RCKCPDVFOOHSLX-QRWLVFNGSA-N 1 2 451.792 4.695 20 0 JJADLO O=C(c1cc(F)ccc1F)C1CC[NH+]([C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1 ZINC001459314324 1067291772 /nfs/dbraw/zinc/29/17/72/1067291772.db2.gz QNAVJKGDWLXHTJ-FQEVSTJZSA-N 1 2 452.423 4.684 20 0 JJADLO O=C(c1cccc(C(F)(F)F)c1)N1CC[NH+](Cc2ccc(OCc3cccnc3)cc2)CC1 ZINC001459316876 1067292650 /nfs/dbraw/zinc/29/26/50/1067292650.db2.gz QKZMNGCFBYBKJE-UHFFFAOYSA-N 1 2 455.480 4.637 20 0 JJADLO CCC1(CC)CCN(c2nnc(CC(C)(C)C)n2C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC001546108476 1067309992 /nfs/dbraw/zinc/30/99/92/1067309992.db2.gz CGTNFGMMNHHZLJ-HSZRJFAPSA-N 1 2 453.675 4.784 20 0 JJADLO CCC1(CC)CCN(c2nnc(CC(C)(C)C)n2C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC001546108476 1067310008 /nfs/dbraw/zinc/31/00/08/1067310008.db2.gz CGTNFGMMNHHZLJ-HSZRJFAPSA-N 1 2 453.675 4.784 20 0 JJADLO COc1cccc(OC)c1OC1CC[NH+](CC(=O)Nc2ccc(SC(F)F)cc2)CC1 ZINC001459396870 1067313463 /nfs/dbraw/zinc/31/34/63/1067313463.db2.gz XFUVSOYOFWIMCN-UHFFFAOYSA-N 1 2 452.523 4.500 20 0 JJADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cc3cc(C(F)(F)F)ccc3n2C)[C@H](C)C1 ZINC001459415126 1067318387 /nfs/dbraw/zinc/31/83/87/1067318387.db2.gz SENUENYMTNWASC-QGZVFWFLSA-N 1 2 459.512 4.942 20 0 JJADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cc3cc(C(F)(F)F)ccc3n2C)[C@H](C)C1 ZINC001459415126 1067318401 /nfs/dbraw/zinc/31/84/01/1067318401.db2.gz SENUENYMTNWASC-QGZVFWFLSA-N 1 2 459.512 4.942 20 0 JJADLO Cc1sc(NC(=O)C[N@@H+](C)Cc2cccc(NS(=O)(=O)c3ccccc3)c2)c(C)c1C ZINC001459419853 1067320018 /nfs/dbraw/zinc/32/00/18/1067320018.db2.gz SMGOLAGMBWMANX-UHFFFAOYSA-N 1 2 457.621 4.545 20 0 JJADLO Cc1sc(NC(=O)C[N@H+](C)Cc2cccc(NS(=O)(=O)c3ccccc3)c2)c(C)c1C ZINC001459419853 1067320028 /nfs/dbraw/zinc/32/00/28/1067320028.db2.gz SMGOLAGMBWMANX-UHFFFAOYSA-N 1 2 457.621 4.545 20 0 JJADLO O[C@@H]([C@H]1CCC[N@@H+]1Cc1nnc(-c2ccc3cc(Br)ccc3c2)o1)C(F)(F)F ZINC001459455888 1067328222 /nfs/dbraw/zinc/32/82/22/1067328222.db2.gz MRFVYZSYRBKYPO-WBVHZDCISA-N 1 2 456.262 4.540 20 0 JJADLO O[C@@H]([C@H]1CCC[N@H+]1Cc1nnc(-c2ccc3cc(Br)ccc3c2)o1)C(F)(F)F ZINC001459455888 1067328234 /nfs/dbraw/zinc/32/82/34/1067328234.db2.gz MRFVYZSYRBKYPO-WBVHZDCISA-N 1 2 456.262 4.540 20 0 JJADLO C[N@H+](CCc1ccc(Br)cc1)CC(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC001459475613 1067334268 /nfs/dbraw/zinc/33/42/68/1067334268.db2.gz JAOTXVBFNMCQPG-UHFFFAOYSA-N 1 2 451.364 4.793 20 0 JJADLO C[N@@H+](CCc1ccc(Br)cc1)CC(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC001459475613 1067334280 /nfs/dbraw/zinc/33/42/80/1067334280.db2.gz JAOTXVBFNMCQPG-UHFFFAOYSA-N 1 2 451.364 4.793 20 0 JJADLO CCCc1ccc(-c2csc(NC(=O)C[N@@H+]3CCC[C@H](CNC(=O)C(C)(C)C)C3)n2)cc1 ZINC001459520865 1067343486 /nfs/dbraw/zinc/34/34/86/1067343486.db2.gz YAPVWPFPBOVPMM-LJQANCHMSA-N 1 2 456.656 4.575 20 0 JJADLO CCCc1ccc(-c2csc(NC(=O)C[N@H+]3CCC[C@H](CNC(=O)C(C)(C)C)C3)n2)cc1 ZINC001459520865 1067343494 /nfs/dbraw/zinc/34/34/94/1067343494.db2.gz YAPVWPFPBOVPMM-LJQANCHMSA-N 1 2 456.656 4.575 20 0 JJADLO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+]([C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)C1 ZINC001459571469 1067354951 /nfs/dbraw/zinc/35/49/51/1067354951.db2.gz BDZITCUMOLLVOE-DZGCQCFKSA-N 1 2 458.550 4.588 20 0 JJADLO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+]([C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)C1 ZINC001459571469 1067354960 /nfs/dbraw/zinc/35/49/60/1067354960.db2.gz BDZITCUMOLLVOE-DZGCQCFKSA-N 1 2 458.550 4.588 20 0 JJADLO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2F)C1 ZINC001459588751 1067358292 /nfs/dbraw/zinc/35/82/92/1067358292.db2.gz TUIQWTVLGUWPNN-LBPRGKRZSA-N 1 2 457.281 4.740 20 0 JJADLO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2F)C1 ZINC001459588751 1067358306 /nfs/dbraw/zinc/35/83/06/1067358306.db2.gz TUIQWTVLGUWPNN-LBPRGKRZSA-N 1 2 457.281 4.740 20 0 JJADLO O=C(NC[C@@H]1CCCC[N@H+]1Cc1ncc(-c2cccc(Br)c2)o1)c1ccccc1 ZINC001459607422 1067362030 /nfs/dbraw/zinc/36/20/30/1067362030.db2.gz IUUNKVXZMIQOBL-FQEVSTJZSA-N 1 2 454.368 4.889 20 0 JJADLO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ncc(-c2cccc(Br)c2)o1)c1ccccc1 ZINC001459607422 1067362041 /nfs/dbraw/zinc/36/20/41/1067362041.db2.gz IUUNKVXZMIQOBL-FQEVSTJZSA-N 1 2 454.368 4.889 20 0 JJADLO O=C(C[NH+]1CCC(NC(=O)NC2CCCCC2)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC001459675176 1067380373 /nfs/dbraw/zinc/38/03/73/1067380373.db2.gz DRISYDGIOCNZGQ-UHFFFAOYSA-N 1 2 450.583 4.514 20 0 JJADLO CCN(CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)c1ccc(Br)cc1 ZINC001459676340 1067380961 /nfs/dbraw/zinc/38/09/61/1067380961.db2.gz MBUZJSGSEURUNA-UHFFFAOYSA-N 1 2 451.434 4.603 20 0 JJADLO CCC1(CC)CCN(c2nnc(Cc3cccnc3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001546111108 1067382064 /nfs/dbraw/zinc/38/20/64/1067382064.db2.gz YWTJMQJVBAQOSE-QFIPXVFZSA-N 1 2 468.596 4.862 20 0 JJADLO O=C(c1ccc(C(F)(F)F)cc1)N1CC[NH+](Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC001459686010 1067383306 /nfs/dbraw/zinc/38/33/06/1067383306.db2.gz BUORRZVWBHLPRB-UHFFFAOYSA-N 1 2 455.480 4.637 20 0 JJADLO CC(=O)N(c1nc(CN2CC[NH+](Cc3cccc(O)c3)CC2)cs1)c1ccc(Cl)cc1 ZINC001459711915 1067392121 /nfs/dbraw/zinc/39/21/21/1067392121.db2.gz YNGHEDCTBVNRIK-UHFFFAOYSA-N 1 2 456.999 4.505 20 0 JJADLO Cc1ccccc1-c1nc(C[NH+]2CCC(C(=O)Nc3cccc(Br)c3)CC2)no1 ZINC001459713820 1067392768 /nfs/dbraw/zinc/39/27/68/1067392768.db2.gz LMJZHHFXBVCSET-UHFFFAOYSA-N 1 2 455.356 4.658 20 0 JJADLO CCCCCOc1ccc(Br)cc1CN1CC[NH+](Cc2c(C)noc2C)CC1 ZINC001459728843 1067398085 /nfs/dbraw/zinc/39/80/85/1067398085.db2.gz FZUWUGYPCMLNSU-UHFFFAOYSA-N 1 2 450.421 4.941 20 0 JJADLO O=C(Cc1ccccc1Cl)N1CC[NH+](Cc2ccc(OCc3ccccc3F)cc2)CC1 ZINC001459793806 1067426046 /nfs/dbraw/zinc/42/60/46/1067426046.db2.gz XUGNBNPBAJGFRF-UHFFFAOYSA-N 1 2 452.957 4.945 20 0 JJADLO CCOC(=O)C[N@H+](CCC(=O)Nc1cccc(F)c1)[C@@H](C)c1cccc(Br)c1 ZINC001459800798 1067429563 /nfs/dbraw/zinc/42/95/63/1067429563.db2.gz DLCGNZRKDDSDFG-HNNXBMFYSA-N 1 2 451.336 4.543 20 0 JJADLO CCOC(=O)C[N@@H+](CCC(=O)Nc1cccc(F)c1)[C@@H](C)c1cccc(Br)c1 ZINC001459800798 1067429567 /nfs/dbraw/zinc/42/95/67/1067429567.db2.gz DLCGNZRKDDSDFG-HNNXBMFYSA-N 1 2 451.336 4.543 20 0 JJADLO O=S(=O)(NC1CCCC1)[C@H]1CCC[N@@H+]([C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)C1 ZINC001459819579 1067437784 /nfs/dbraw/zinc/43/77/84/1067437784.db2.gz OBTRZXMOINBCIW-XZOQPEGZSA-N 1 2 451.007 4.895 20 0 JJADLO O=S(=O)(NC1CCCC1)[C@H]1CCC[N@H+]([C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)C1 ZINC001459819579 1067437789 /nfs/dbraw/zinc/43/77/89/1067437789.db2.gz OBTRZXMOINBCIW-XZOQPEGZSA-N 1 2 451.007 4.895 20 0 JJADLO CCOC(=O)C1C(C[NH2+][C@H](c2ccccc2C)C2CC2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001459833194 1067444759 /nfs/dbraw/zinc/44/47/59/1067444759.db2.gz JFGCIULODKPBAY-GOTSBHOMSA-N 1 2 453.970 4.560 20 0 JJADLO CC(=O)N(c1nc(C[NH2+][C@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cs1)C1CC1 ZINC001459834496 1067445435 /nfs/dbraw/zinc/44/54/35/1067445435.db2.gz GBEZLFZDBZOOCR-OAHLLOKOSA-N 1 2 452.555 4.901 20 0 JJADLO O=C(C[NH+]1CCC2(CC1)OCCc1ccsc12)Nc1ccc(Br)cc1Cl ZINC001459854174 1067458326 /nfs/dbraw/zinc/45/83/26/1067458326.db2.gz GJCSTNKFYBJZAA-UHFFFAOYSA-N 1 2 455.805 4.667 20 0 JJADLO C[S@](=O)C[C@@H]([NH2+]Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)c1ccccc1 ZINC001459855771 1067459258 /nfs/dbraw/zinc/45/92/58/1067459258.db2.gz ZIXUCAWPWANRKZ-JJCDCTGGSA-N 1 2 458.008 4.927 20 0 JJADLO Cc1ccc(NC(=O)N2CC[NH+](Cc3ccc(OCc4ccccn4)cc3)CC2)cc1Cl ZINC001459875479 1067468925 /nfs/dbraw/zinc/46/89/25/1067468925.db2.gz KXYMTPVHPBLQSU-UHFFFAOYSA-N 1 2 450.970 4.972 20 0 JJADLO C[C@@H](NC(=O)C[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1Cl ZINC001459896170 1067477771 /nfs/dbraw/zinc/47/77/71/1067477771.db2.gz KVHSMEYJKKKODI-GFCCVEGCSA-N 1 2 450.193 4.972 20 0 JJADLO C[C@@H](NC(=O)C[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1Cl ZINC001459896170 1067477775 /nfs/dbraw/zinc/47/77/75/1067477775.db2.gz KVHSMEYJKKKODI-GFCCVEGCSA-N 1 2 450.193 4.972 20 0 JJADLO O=C(C[NH+]1CCC(Oc2cccc(Br)c2)CC1)Nc1ccc(C(F)(F)F)cc1 ZINC001459923687 1067493293 /nfs/dbraw/zinc/49/32/93/1067493293.db2.gz MTDIFDMNWGXGBJ-UHFFFAOYSA-N 1 2 457.290 4.950 20 0 JJADLO Nc1nc(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccccc2C(F)(F)F)nc2ccccc12 ZINC001459926018 1067494948 /nfs/dbraw/zinc/49/49/48/1067494948.db2.gz BSJKEHUSBFXOAH-JOCHJYFZSA-N 1 2 452.480 4.967 20 0 JJADLO Nc1nc(C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccccc2C(F)(F)F)nc2ccccc12 ZINC001459926018 1067494953 /nfs/dbraw/zinc/49/49/53/1067494953.db2.gz BSJKEHUSBFXOAH-JOCHJYFZSA-N 1 2 452.480 4.967 20 0 JJADLO Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCC[N@@H+]1C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC001459932370 1067496908 /nfs/dbraw/zinc/49/69/08/1067496908.db2.gz OGZSYKBZPKJCHK-DHIUTWEWSA-N 1 2 459.512 4.674 20 0 JJADLO Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCC[N@H+]1C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC001459932370 1067496911 /nfs/dbraw/zinc/49/69/11/1067496911.db2.gz OGZSYKBZPKJCHK-DHIUTWEWSA-N 1 2 459.512 4.674 20 0 JJADLO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+]2CC(=O)N[C@H](c2ccccc2)C2CCCCC2)C1 ZINC001459944056 1067501597 /nfs/dbraw/zinc/50/15/97/1067501597.db2.gz PIXRTKIWIUOLIC-SHQCIBLASA-N 1 2 455.643 4.900 20 0 JJADLO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+]2CC(=O)N[C@H](c2ccccc2)C2CCCCC2)C1 ZINC001459944056 1067501602 /nfs/dbraw/zinc/50/16/02/1067501602.db2.gz PIXRTKIWIUOLIC-SHQCIBLASA-N 1 2 455.643 4.900 20 0 JJADLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)Cc1ccc(I)c(Cl)c1 ZINC001459983386 1067515102 /nfs/dbraw/zinc/51/51/02/1067515102.db2.gz CYXUHEJDWOHRPI-SFHVURJKSA-N 1 2 457.739 4.551 20 0 JJADLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(I)c(Cl)c1 ZINC001459983386 1067515113 /nfs/dbraw/zinc/51/51/13/1067515113.db2.gz CYXUHEJDWOHRPI-SFHVURJKSA-N 1 2 457.739 4.551 20 0 JJADLO CCCCCCc1ccc(-c2csc(NC(=O)[C@H](C)[N@@H+]3CC[C@@H](n4cncn4)C3)n2)cc1 ZINC001459991163 1067518100 /nfs/dbraw/zinc/51/81/00/1067518100.db2.gz MPWHVEIFTNIBAW-GHTZIAJQSA-N 1 2 452.628 4.798 20 0 JJADLO CCCCCCc1ccc(-c2csc(NC(=O)[C@H](C)[N@H+]3CC[C@@H](n4cncn4)C3)n2)cc1 ZINC001459991163 1067518111 /nfs/dbraw/zinc/51/81/11/1067518111.db2.gz MPWHVEIFTNIBAW-GHTZIAJQSA-N 1 2 452.628 4.798 20 0 JJADLO CCOC(=O)c1oc2ccc(Br)cc2c1C[N@@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC001460012049 1067526925 /nfs/dbraw/zinc/52/69/25/1067526925.db2.gz CHNRVOVLPSJCIB-QGZVFWFLSA-N 1 2 459.340 4.558 20 0 JJADLO CCOC(=O)c1oc2ccc(Br)cc2c1C[N@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC001460012049 1067526932 /nfs/dbraw/zinc/52/69/32/1067526932.db2.gz CHNRVOVLPSJCIB-QGZVFWFLSA-N 1 2 459.340 4.558 20 0 JJADLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)N[C@H](C)Cc2c(F)cccc2F)ccc1Br ZINC001460021864 1067531349 /nfs/dbraw/zinc/53/13/49/1067531349.db2.gz GLFSFZOHHLVXCZ-VFNWGFHPSA-N 1 2 451.355 4.920 20 0 JJADLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)N[C@H](C)Cc2c(F)cccc2F)ccc1Br ZINC001460021864 1067531354 /nfs/dbraw/zinc/53/13/54/1067531354.db2.gz GLFSFZOHHLVXCZ-VFNWGFHPSA-N 1 2 451.355 4.920 20 0 JJADLO Cc1ccc([C@@H]([NH2+]CC(=O)NCc2ccc(COc3ccccc3)cc2)c2ccccn2)cc1 ZINC001460053239 1067539710 /nfs/dbraw/zinc/53/97/10/1067539710.db2.gz GUXZYHSQRSRZHL-GDLZYMKVSA-N 1 2 451.570 4.964 20 0 JJADLO CCCCOc1ccc(-c2nnc(C[N@@H+]3CCCC[C@H]3COC(=O)N3CCCCC3)o2)cc1 ZINC001460066289 1067544287 /nfs/dbraw/zinc/54/42/87/1067544287.db2.gz GHWDLMVDXJMYSL-NRFANRHFSA-N 1 2 456.587 4.893 20 0 JJADLO CCCCOc1ccc(-c2nnc(C[N@H+]3CCCC[C@H]3COC(=O)N3CCCCC3)o2)cc1 ZINC001460066289 1067544294 /nfs/dbraw/zinc/54/42/94/1067544294.db2.gz GHWDLMVDXJMYSL-NRFANRHFSA-N 1 2 456.587 4.893 20 0 JJADLO COc1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3COC(=O)NC3CCCC3)cs2)c(OC)c1 ZINC001460193645 1067575957 /nfs/dbraw/zinc/57/59/57/1067575957.db2.gz FEERKOJVJBIKAN-IBGZPJMESA-N 1 2 459.612 4.851 20 0 JJADLO COc1ccc(-c2nc(C[N@H+]3CCCC[C@H]3COC(=O)NC3CCCC3)cs2)c(OC)c1 ZINC001460193645 1067575964 /nfs/dbraw/zinc/57/59/64/1067575964.db2.gz FEERKOJVJBIKAN-IBGZPJMESA-N 1 2 459.612 4.851 20 0 JJADLO Brc1ccsc1C[N@H+](CCSCc1ccccc1)CCN1CCOCC1 ZINC001460196703 1067576921 /nfs/dbraw/zinc/57/69/21/1067576921.db2.gz LJXKBUPEAXDYQV-UHFFFAOYSA-N 1 2 455.487 4.578 20 0 JJADLO Brc1ccsc1C[N@@H+](CCSCc1ccccc1)CCN1CCOCC1 ZINC001460196703 1067576927 /nfs/dbraw/zinc/57/69/27/1067576927.db2.gz LJXKBUPEAXDYQV-UHFFFAOYSA-N 1 2 455.487 4.578 20 0 JJADLO C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1CCCC[C@@H]1COC(=O)NC1CCCCC1 ZINC001460201533 1067578169 /nfs/dbraw/zinc/57/81/69/1067578169.db2.gz ZHHVGPXBTHLIAE-DENIHFKCSA-N 1 2 455.599 4.866 20 0 JJADLO C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1CCCC[C@@H]1COC(=O)NC1CCCCC1 ZINC001460201533 1067578178 /nfs/dbraw/zinc/57/81/78/1067578178.db2.gz ZHHVGPXBTHLIAE-DENIHFKCSA-N 1 2 455.599 4.866 20 0 JJADLO Cc1sc2nc(C[N@H+]3C[C@@H](c4cccc(F)c4)[C@H](NC(=O)OC(C)(C)C)C3)nc(N)c2c1C ZINC001460236112 1067586977 /nfs/dbraw/zinc/58/69/77/1067586977.db2.gz VBCMTRRUEHTSNE-ZWKOTPCHSA-N 1 2 471.602 4.522 20 0 JJADLO Cc1sc2nc(C[N@@H+]3C[C@@H](c4cccc(F)c4)[C@H](NC(=O)OC(C)(C)C)C3)nc(N)c2c1C ZINC001460236112 1067586984 /nfs/dbraw/zinc/58/69/84/1067586984.db2.gz VBCMTRRUEHTSNE-ZWKOTPCHSA-N 1 2 471.602 4.522 20 0 JJADLO C[N@@H+](CC(=O)N(Cc1ccccc1)c1ccccc1)C[C@@H](O)c1cccc(Br)c1 ZINC001460240071 1067588660 /nfs/dbraw/zinc/58/86/60/1067588660.db2.gz VCIGVIWSOQGDSA-HSZRJFAPSA-N 1 2 453.380 4.648 20 0 JJADLO C[N@H+](CC(=O)N(Cc1ccccc1)c1ccccc1)C[C@@H](O)c1cccc(Br)c1 ZINC001460240071 1067588668 /nfs/dbraw/zinc/58/86/68/1067588668.db2.gz VCIGVIWSOQGDSA-HSZRJFAPSA-N 1 2 453.380 4.648 20 0 JJADLO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H](c1ccccc1)[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC001460250218 1067591203 /nfs/dbraw/zinc/59/12/03/1067591203.db2.gz JKIMTYBFSZIGIY-VNZMSGEBSA-N 1 2 478.614 4.974 20 0 JJADLO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H](c1ccccc1)[N@@H+]1C[C@H](O)C[C@H](C)C1 ZINC001460250218 1067591208 /nfs/dbraw/zinc/59/12/08/1067591208.db2.gz JKIMTYBFSZIGIY-VNZMSGEBSA-N 1 2 478.614 4.974 20 0 JJADLO O=C(C[C@@H]1CCC[N@H+](Cc2c(F)ccc(Br)c2F)C1)NCc1ccc(F)cc1 ZINC001460302987 1067602720 /nfs/dbraw/zinc/60/27/20/1067602720.db2.gz VMRIBZBBCAKJNQ-HNNXBMFYSA-N 1 2 455.318 4.785 20 0 JJADLO O=C(C[C@@H]1CCC[N@@H+](Cc2c(F)ccc(Br)c2F)C1)NCc1ccc(F)cc1 ZINC001460302987 1067602726 /nfs/dbraw/zinc/60/27/26/1067602726.db2.gz VMRIBZBBCAKJNQ-HNNXBMFYSA-N 1 2 455.318 4.785 20 0 JJADLO C[N@H+](CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1)Cc1ccc2c(c1)OC(F)(F)O2 ZINC001460305518 1067603380 /nfs/dbraw/zinc/60/33/80/1067603380.db2.gz BLSVSQQBTRGVPR-UHFFFAOYSA-N 1 2 456.411 4.650 20 0 JJADLO C[N@@H+](CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1)Cc1ccc2c(c1)OC(F)(F)O2 ZINC001460305518 1067603382 /nfs/dbraw/zinc/60/33/82/1067603382.db2.gz BLSVSQQBTRGVPR-UHFFFAOYSA-N 1 2 456.411 4.650 20 0 JJADLO CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001460358458 1067617468 /nfs/dbraw/zinc/61/74/68/1067617468.db2.gz FSFPPBIZPKREAF-TYFXEQRTSA-N 1 2 469.582 4.589 20 0 JJADLO CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001460358458 1067617474 /nfs/dbraw/zinc/61/74/74/1067617474.db2.gz FSFPPBIZPKREAF-TYFXEQRTSA-N 1 2 469.582 4.589 20 0 JJADLO O[C@@]1(c2ccccc2)CCC[N@H+](CCOc2c(Br)cccc2Br)C1 ZINC001460427073 1067632845 /nfs/dbraw/zinc/63/28/45/1067632845.db2.gz FXXJUAFMHFJFFX-IBGZPJMESA-N 1 2 455.190 4.574 20 0 JJADLO O[C@@]1(c2ccccc2)CCC[N@@H+](CCOc2c(Br)cccc2Br)C1 ZINC001460427073 1067632848 /nfs/dbraw/zinc/63/28/48/1067632848.db2.gz FXXJUAFMHFJFFX-IBGZPJMESA-N 1 2 455.190 4.574 20 0 JJADLO O=C(C[N@@H+]1CCc2cc(C(F)(F)F)ccc2C1)NCc1ccccc1COc1ccccc1 ZINC001460583114 1067661815 /nfs/dbraw/zinc/66/18/15/1067661815.db2.gz SYOQKOPFRIJCRC-UHFFFAOYSA-N 1 2 454.492 4.959 20 0 JJADLO O=C(C[N@H+]1CCc2cc(C(F)(F)F)ccc2C1)NCc1ccccc1COc1ccccc1 ZINC001460583114 1067661819 /nfs/dbraw/zinc/66/18/19/1067661819.db2.gz SYOQKOPFRIJCRC-UHFFFAOYSA-N 1 2 454.492 4.959 20 0 JJADLO CC(C)(C)OC(=O)N1CCO[C@@H](C[N@@H+]2CCC[C@H]2c2ccc(Br)cc2Cl)C1 ZINC001460604282 1067668711 /nfs/dbraw/zinc/66/87/11/1067668711.db2.gz LHUDFJNVSUNTAM-YJBOKZPZSA-N 1 2 459.812 4.875 20 0 JJADLO CC(C)(C)OC(=O)N1CCO[C@@H](C[N@H+]2CCC[C@H]2c2ccc(Br)cc2Cl)C1 ZINC001460604282 1067668716 /nfs/dbraw/zinc/66/87/16/1067668716.db2.gz LHUDFJNVSUNTAM-YJBOKZPZSA-N 1 2 459.812 4.875 20 0 JJADLO C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@H+](C)Cc1ccccc1OCc1ccccc1 ZINC001460619293 1067674701 /nfs/dbraw/zinc/67/47/01/1067674701.db2.gz CHYVUMCAXYIIDW-QFIPXVFZSA-N 1 2 459.590 4.561 20 0 JJADLO C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@@H+](C)Cc1ccccc1OCc1ccccc1 ZINC001460619293 1067674704 /nfs/dbraw/zinc/67/47/04/1067674704.db2.gz CHYVUMCAXYIIDW-QFIPXVFZSA-N 1 2 459.590 4.561 20 0 JJADLO Fc1cc([C@@H]2OCC[C@H]2[NH2+]Cc2nc(Cc3cccc(Br)c3)no2)ccc1Cl ZINC001460628180 1067677940 /nfs/dbraw/zinc/67/79/40/1067677940.db2.gz ZZLXRGQPXJBOPI-XLIONFOSSA-N 1 2 466.738 4.835 20 0 JJADLO COC(=O)c1ccc2[nH]c(C[NH2+][C@@H]3c4ccccc4N(C(=O)OC(C)(C)C)C3(C)C)nc2c1 ZINC001460695099 1067703424 /nfs/dbraw/zinc/70/34/24/1067703424.db2.gz MEGTYPBASJOSMQ-OAQYLSRUSA-N 1 2 450.539 4.714 20 0 JJADLO CC[C@H](c1ccc(F)cc1)N1CC[NH+](C[C@](C)(O)c2ccc(Br)cc2F)CC1 ZINC001460731486 1067711662 /nfs/dbraw/zinc/71/16/62/1067711662.db2.gz OQKWYYDTXZWQRU-YADHBBJMSA-N 1 2 453.371 4.704 20 0 JJADLO CC[C@@H](c1ccc(F)cc1)N1CC[NH+](C[C@](C)(O)c2ccc(Br)cc2F)CC1 ZINC001460731483 1067711797 /nfs/dbraw/zinc/71/17/97/1067711797.db2.gz OQKWYYDTXZWQRU-VXKWHMMOSA-N 1 2 453.371 4.704 20 0 JJADLO CCOC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC[C@]1(C)Cc1cccc(Br)c1 ZINC001460804658 1067727350 /nfs/dbraw/zinc/72/73/50/1067727350.db2.gz TVFQGYCORPPTQP-HSZRJFAPSA-N 1 2 459.384 4.662 20 0 JJADLO CCOC(=O)c1ccccc1NC(=O)C[N@H+]1CCC[C@]1(C)Cc1cccc(Br)c1 ZINC001460804658 1067727360 /nfs/dbraw/zinc/72/73/60/1067727360.db2.gz TVFQGYCORPPTQP-HSZRJFAPSA-N 1 2 459.384 4.662 20 0 JJADLO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[N@@H+]2CCc3nc[nH]c3[C@H]2c2ccc(Br)cc2)C1 ZINC001460813760 1067728730 /nfs/dbraw/zinc/72/87/30/1067728730.db2.gz PSAALMJYPASXAT-RRMPHLOHSA-N 1 2 475.431 4.813 20 0 JJADLO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[N@H+]2CCc3nc[nH]c3[C@H]2c2ccc(Br)cc2)C1 ZINC001460813760 1067728740 /nfs/dbraw/zinc/72/87/40/1067728740.db2.gz PSAALMJYPASXAT-RRMPHLOHSA-N 1 2 475.431 4.813 20 0 JJADLO Cc1cc(C)c(CNC(=O)Cc2ccc(NC(=O)c3cccc(Br)c3)cc2)c[nH+]1 ZINC001460891710 1067744427 /nfs/dbraw/zinc/74/44/27/1067744427.db2.gz UVLMPFWSDUWDHG-UHFFFAOYSA-N 1 2 452.352 4.572 20 0 JJADLO Cc1ccc(-c2csc(NC(=O)C[N@@H+]3CCC[C@@]34CCN(C(=O)OC(C)(C)C)C4)n2)cc1 ZINC001460922681 1067748900 /nfs/dbraw/zinc/74/89/00/1067748900.db2.gz XLWSHTGBSLLTHN-DEOSSOPVSA-N 1 2 456.612 4.532 20 0 JJADLO Cc1ccc(-c2csc(NC(=O)C[N@H+]3CCC[C@@]34CCN(C(=O)OC(C)(C)C)C4)n2)cc1 ZINC001460922681 1067748906 /nfs/dbraw/zinc/74/89/06/1067748906.db2.gz XLWSHTGBSLLTHN-DEOSSOPVSA-N 1 2 456.612 4.532 20 0 JJADLO CC[C@@H](C)[C@H]([NH2+]Cc1ncc(Br)s1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001461148276 1067789642 /nfs/dbraw/zinc/78/96/42/1067789642.db2.gz IGYGCFDSEOQMCZ-KUHUBIRLSA-N 1 2 451.434 4.649 20 0 JJADLO O=C(NCc1nc(C[NH2+]Cc2cc3cc(Br)ccc3o2)cs1)c1ccccc1 ZINC001461283825 1067817551 /nfs/dbraw/zinc/81/75/51/1067817551.db2.gz IBLXQIQFXIXZHA-UHFFFAOYSA-N 1 2 456.365 4.872 20 0 JJADLO C[C@H]1CN(c2ccc(NCc3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)c[nH+]2)C[C@H](C)O1 ZINC001461458876 1067861950 /nfs/dbraw/zinc/86/19/50/1067861950.db2.gz FUHXIPJRULJHEF-OALUTQOASA-N 1 2 452.599 4.601 20 0 JJADLO Cc1cc(C[NH2+]Cc2nc(Cl)ccc2Br)ccc1I ZINC001461471301 1067866084 /nfs/dbraw/zinc/86/60/84/1067866084.db2.gz JXTJZBTXENFROI-UHFFFAOYSA-N 1 2 451.533 4.700 20 0 JJADLO Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1CNC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC001461694079 1067920040 /nfs/dbraw/zinc/92/00/40/1067920040.db2.gz HHCYHLWVYPXTKN-QFIPXVFZSA-N 1 2 459.421 4.787 20 0 JJADLO Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1CNC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC001461694079 1067920046 /nfs/dbraw/zinc/92/00/46/1067920046.db2.gz HHCYHLWVYPXTKN-QFIPXVFZSA-N 1 2 459.421 4.787 20 0 JJADLO O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)NC2(c3ccc(C(F)(F)F)cc3)CCC2)c1 ZINC001461733783 1067927345 /nfs/dbraw/zinc/92/73/45/1067927345.db2.gz BTTUDJRCTCTRBO-UHFFFAOYSA-N 1 2 456.468 4.740 20 0 JJADLO COc1cc(C[NH+]2CCN(Cc3cc(C(F)(F)F)ccc3Cl)CC2)cc(OC)c1OC ZINC001461848564 1067946277 /nfs/dbraw/zinc/94/62/77/1067946277.db2.gz WSASZURKXSNIFK-UHFFFAOYSA-N 1 2 458.908 4.702 20 0 JJADLO COC(=O)[C@H](c1cccc(Cl)c1)N1CC[NH+](Cc2cnc(-c3ccccc3F)s2)CC1 ZINC001461865112 1067950079 /nfs/dbraw/zinc/95/00/79/1067950079.db2.gz KGCPOGKNKITIAD-NRFANRHFSA-N 1 2 459.974 4.635 20 0 JJADLO CCOc1cc(C[N@@H+]2CCCC[C@H]2[C@@H](C)NC(=O)OC(C)(C)C)cc(Br)c1O ZINC001461890110 1067955417 /nfs/dbraw/zinc/95/54/17/1067955417.db2.gz YBJVUUAYWDTALO-PBHICJAKSA-N 1 2 457.409 4.821 20 0 JJADLO CCOc1cc(C[N@H+]2CCCC[C@H]2[C@@H](C)NC(=O)OC(C)(C)C)cc(Br)c1O ZINC001461890110 1067955419 /nfs/dbraw/zinc/95/54/19/1067955419.db2.gz YBJVUUAYWDTALO-PBHICJAKSA-N 1 2 457.409 4.821 20 0 JJADLO Cc1nn(-c2ccccc2Br)cc1C[NH+]1CCN(C/C=C\c2ccccc2)CC1 ZINC001461897591 1067957193 /nfs/dbraw/zinc/95/71/93/1067957193.db2.gz LTVDEADULNAAPE-YFHOEESVSA-N 1 2 451.412 4.774 20 0 JJADLO CC(C)(C)OC(=O)NC1(CC[N@@H+]2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)CCOCC1 ZINC001461913333 1067959999 /nfs/dbraw/zinc/95/99/99/1067959999.db2.gz UKBHGOPBOPFZPK-LJQANCHMSA-N 1 2 459.414 4.831 20 0 JJADLO CC(C)(C)OC(=O)NC1(CC[N@H+]2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)CCOCC1 ZINC001461913333 1067960003 /nfs/dbraw/zinc/96/00/03/1067960003.db2.gz UKBHGOPBOPFZPK-LJQANCHMSA-N 1 2 459.414 4.831 20 0 JJADLO Cc1ccc(Sc2ncccc2C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)cc1C ZINC001461942607 1067965694 /nfs/dbraw/zinc/96/56/94/1067965694.db2.gz HKSJXVDGGXCYNJ-UHFFFAOYSA-N 1 2 450.633 4.728 20 0 JJADLO Cc1occc1C(=O)NC1CC[NH+](Cc2cc(Br)cc(Br)c2)CC1 ZINC001461950978 1067967449 /nfs/dbraw/zinc/96/74/49/1067967449.db2.gz XWFRQKHDGAWWKR-UHFFFAOYSA-N 1 2 456.178 4.507 20 0 JJADLO CC[N@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccc(-c2ccccc2)cc1OC ZINC001461953692 1067967871 /nfs/dbraw/zinc/96/78/71/1067967871.db2.gz ISRSMBIQXYOISD-UHFFFAOYSA-N 1 2 459.590 4.659 20 0 JJADLO CC[N@@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccc(-c2ccccc2)cc1OC ZINC001461953692 1067967875 /nfs/dbraw/zinc/96/78/75/1067967875.db2.gz ISRSMBIQXYOISD-UHFFFAOYSA-N 1 2 459.590 4.659 20 0 JJADLO CCOC(=O)[C@H](Cc1ccccc1)N(Cc1c[nH+]c2c(C)cc(Br)cn12)C1CC1 ZINC001461976433 1067973588 /nfs/dbraw/zinc/97/35/88/1067973588.db2.gz QXAOKVKJQPLXRW-NRFANRHFSA-N 1 2 456.384 4.544 20 0 JJADLO CCCS(=O)(=O)NC1CC[NH+](Cc2cc(Cl)ccc2Oc2ccccc2CC)CC1 ZINC001461978877 1067974082 /nfs/dbraw/zinc/97/40/82/1067974082.db2.gz RLAXBIVBSODLCL-UHFFFAOYSA-N 1 2 451.032 4.989 20 0 JJADLO Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCC[N@@H+]1C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC001462066796 1067995150 /nfs/dbraw/zinc/99/51/50/1067995150.db2.gz BHCVORJDQZDEJL-ATIYNZHBSA-N 1 2 454.615 4.510 20 0 JJADLO Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCC[N@H+]1C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC001462066796 1067995161 /nfs/dbraw/zinc/99/51/61/1067995161.db2.gz BHCVORJDQZDEJL-ATIYNZHBSA-N 1 2 454.615 4.510 20 0 JJADLO C[N@H+](Cc1ccnn1-c1ccccc1)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC001462093208 1068000729 /nfs/dbraw/zinc/00/07/29/1068000729.db2.gz HDXYJPCWSHXOIG-NRFANRHFSA-N 1 2 456.384 4.825 20 0 JJADLO C[N@@H+](Cc1ccnn1-c1ccccc1)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC001462093208 1068000742 /nfs/dbraw/zinc/00/07/42/1068000742.db2.gz HDXYJPCWSHXOIG-NRFANRHFSA-N 1 2 456.384 4.825 20 0 JJADLO COc1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C2)c(OCc2cccnc2)c1 ZINC001462107623 1068004762 /nfs/dbraw/zinc/00/47/62/1068004762.db2.gz PENPKEQLHOXWJV-HSZRJFAPSA-N 1 2 455.599 4.747 20 0 JJADLO COc1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C2)c(OCc2cccnc2)c1 ZINC001462107623 1068004776 /nfs/dbraw/zinc/00/47/76/1068004776.db2.gz PENPKEQLHOXWJV-HSZRJFAPSA-N 1 2 455.599 4.747 20 0 JJADLO COC(=O)[C@@H](C[C@@H]1CCCc2ccccc21)NCc1c[nH+]c2c(C)cc(Br)cn12 ZINC001462122063 1068009679 /nfs/dbraw/zinc/00/96/79/1068009679.db2.gz ZRZOYKQSDUDKEX-LAUBAEHRSA-N 1 2 456.384 4.547 20 0 JJADLO CC(=O)N(c1nc(C[N@@H+]2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)cs1)c1ccccc1 ZINC001462151710 1068016473 /nfs/dbraw/zinc/01/64/73/1068016473.db2.gz RFKDLNMNEWFZHO-LJQANCHMSA-N 1 2 458.628 4.955 20 0 JJADLO CC(=O)N(c1nc(C[N@H+]2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)cs1)c1ccccc1 ZINC001462151710 1068016485 /nfs/dbraw/zinc/01/64/85/1068016485.db2.gz RFKDLNMNEWFZHO-LJQANCHMSA-N 1 2 458.628 4.955 20 0 JJADLO CCOc1cc(-c2ccccc2)sc1C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC001462246876 1068037619 /nfs/dbraw/zinc/03/76/19/1068037619.db2.gz WLDBQBSISLYWCG-JOCHJYFZSA-N 1 2 450.604 4.753 20 0 JJADLO CCOc1cc(-c2ccccc2)sc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC001462246876 1068037629 /nfs/dbraw/zinc/03/76/29/1068037629.db2.gz WLDBQBSISLYWCG-JOCHJYFZSA-N 1 2 450.604 4.753 20 0 JJADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC001462271760 1068041603 /nfs/dbraw/zinc/04/16/03/1068041603.db2.gz ZAARTFLNKXAFGN-MRXNPFEDSA-N 1 2 456.833 4.961 20 0 JJADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC001462271760 1068041615 /nfs/dbraw/zinc/04/16/15/1068041615.db2.gz ZAARTFLNKXAFGN-MRXNPFEDSA-N 1 2 456.833 4.961 20 0 JJADLO CC(C)n1cncc1C[NH+]1CCC(c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)CC1 ZINC001462341285 1068054467 /nfs/dbraw/zinc/05/44/67/1068054467.db2.gz INNQULRFBPBGBK-UHFFFAOYSA-N 1 2 456.635 4.681 20 0 JJADLO Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001462590366 1068106662 /nfs/dbraw/zinc/10/66/62/1068106662.db2.gz LRSZOMRUMVVQKQ-WOJBJXKFSA-N 1 2 452.521 4.767 20 0 JJADLO Cc1nn(-c2ccc(C)cc2)cc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001462590366 1068106666 /nfs/dbraw/zinc/10/66/66/1068106666.db2.gz LRSZOMRUMVVQKQ-WOJBJXKFSA-N 1 2 452.521 4.767 20 0 JJADLO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc(Br)c(C)c1)c1ccccc1Cl ZINC001462733025 1068147158 /nfs/dbraw/zinc/14/71/58/1068147158.db2.gz SMPTWVSEDVTPLT-LJQANCHMSA-N 1 2 459.837 4.772 20 0 JJADLO CC[NH+](CC)[C@@H](C(=O)OCc1c(F)cc(C(=O)OC)cc1F)c1cccc(C(F)(F)F)c1 ZINC001462906119 1068211205 /nfs/dbraw/zinc/21/12/05/1068211205.db2.gz JHNAXQKNCLJDAZ-LJQANCHMSA-N 1 2 459.411 4.897 20 0 JJADLO Cc1cc(F)c(S(=O)(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)cc1F ZINC001463034412 1068258073 /nfs/dbraw/zinc/25/80/73/1068258073.db2.gz KZJAMGDCCCHDRD-UHFFFAOYSA-N 1 2 453.514 4.664 20 0 JJADLO O=S(=O)(NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)c1cc(F)cc(Cl)c1 ZINC001463033468 1068258298 /nfs/dbraw/zinc/25/82/98/1068258298.db2.gz GXUPEWMTHZNIRB-UHFFFAOYSA-N 1 2 455.942 4.869 20 0 JJADLO COc1ccc(CN(c2cc[nH+]cc2)S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)cc1 ZINC001463350527 1068367467 /nfs/dbraw/zinc/36/74/67/1068367467.db2.gz SQDNUEKFZBUENU-UHFFFAOYSA-N 1 2 454.882 4.741 20 0 JJADLO CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)c2ccc(CNC(=O)c3cccs3)cc2)C1 ZINC001463450688 1068401777 /nfs/dbraw/zinc/40/17/77/1068401777.db2.gz NKAMBJIWGBRTJR-FQEVSTJZSA-N 1 2 450.608 4.649 20 0 JJADLO O=C(c1cc(Br)ccc1O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC001463654370 1068483248 /nfs/dbraw/zinc/48/32/48/1068483248.db2.gz FHLHIEONNZFUJU-UHFFFAOYSA-N 1 2 451.364 4.702 20 0 JJADLO Cc1nc(Br)sc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC001463654291 1068483283 /nfs/dbraw/zinc/48/32/83/1068483283.db2.gz DOBKRPWDSUMZEK-UHFFFAOYSA-N 1 2 456.409 4.761 20 0 JJADLO CCOc1ccc(-c2nc(NC(=O)[C@H](c3ccccc3)[NH+]3CCC(O)CC3)sc2C)cc1 ZINC001463752144 1068513126 /nfs/dbraw/zinc/51/31/26/1068513126.db2.gz UZMUYRVIVAMPCI-QHCPKHFHSA-N 1 2 451.592 4.654 20 0 JJADLO CCc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001463770984 1068519432 /nfs/dbraw/zinc/51/94/32/1068519432.db2.gz IPVKYOIWLRSTRJ-UHFFFAOYSA-N 1 2 453.974 4.742 20 0 JJADLO Cc1cc(N2CCN(C(=O)c3cnc(OC4CCCCC4)c(Cl)c3)CC2)nc(C(C)C)[nH+]1 ZINC001463771475 1068519905 /nfs/dbraw/zinc/51/99/05/1068519905.db2.gz MQYQSLADTDOKSM-UHFFFAOYSA-N 1 2 458.006 4.631 20 0 JJADLO CC[C@@H](Cc1cccc(Br)c1)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001463774168 1068521102 /nfs/dbraw/zinc/52/11/02/1068521102.db2.gz YNJLCNFRPHUAED-IBGZPJMESA-N 1 2 459.432 4.588 20 0 JJADLO Cc1cc(N2CCN(C(=O)[C@H](C)Oc3ccccc3Cc3ccccc3)CC2)nc(C(C)C)[nH+]1 ZINC001463775017 1068521599 /nfs/dbraw/zinc/52/15/99/1068521599.db2.gz ZMOZMUPMBDQZBA-QFIPXVFZSA-N 1 2 458.606 4.615 20 0 JJADLO O=C(/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC001463863841 1068550457 /nfs/dbraw/zinc/55/04/57/1068550457.db2.gz RXIWDAGEDHEZGG-PLNGDYQASA-N 1 2 458.402 4.787 20 0 JJADLO CC(C)(C(=O)NCc1cc[nH+]c(N2CCCC2)c1)[C@@H](O)c1ccc(OCc2ccccc2)cc1 ZINC001463933458 1068569648 /nfs/dbraw/zinc/56/96/48/1068569648.db2.gz TUTYDZMTYKWYHZ-SANMLTNESA-N 1 2 459.590 4.637 20 0 JJADLO C[C@](O)(C(=O)N1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)s2)CC1)c1ccc(F)cc1 ZINC001464046948 1068599289 /nfs/dbraw/zinc/59/92/89/1068599289.db2.gz LNADYUYWGGZKRA-XMMPIXPASA-N 1 2 458.986 4.760 20 0 JJADLO CC(C)CC(=O)N[C@@H](C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1ccccc1 ZINC001464130861 1068627113 /nfs/dbraw/zinc/62/71/13/1068627113.db2.gz YPDCCAQJYPPIOW-ZJSXRUAMSA-N 1 2 459.993 4.636 20 0 JJADLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N[C@H](C)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1 ZINC001464163820 1068639585 /nfs/dbraw/zinc/63/95/85/1068639585.db2.gz CPAKFVYHFLPDDX-KBMIEXCESA-N 1 2 458.562 4.791 20 0 JJADLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N[C@H](C)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1 ZINC001464163820 1068639592 /nfs/dbraw/zinc/63/95/92/1068639592.db2.gz CPAKFVYHFLPDDX-KBMIEXCESA-N 1 2 458.562 4.791 20 0 JJADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)CN(C(=O)OC(C)(C)C)c2ccccc2)C[C@@H](C)O1 ZINC001464268510 1068682697 /nfs/dbraw/zinc/68/26/97/1068682697.db2.gz IMLDPZNDCCRJML-WOJBJXKFSA-N 1 2 453.583 4.676 20 0 JJADLO CCOc1cc(CNC(=O)c2c3ccccc3nc3c2C[N@H+](CC)CC3)ccc1OC(F)F ZINC001464281468 1068690251 /nfs/dbraw/zinc/69/02/51/1068690251.db2.gz JPPSYHASFALZPM-UHFFFAOYSA-N 1 2 455.505 4.543 20 0 JJADLO CCOc1cc(CNC(=O)c2c3ccccc3nc3c2C[N@@H+](CC)CC3)ccc1OC(F)F ZINC001464281468 1068690258 /nfs/dbraw/zinc/69/02/58/1068690258.db2.gz JPPSYHASFALZPM-UHFFFAOYSA-N 1 2 455.505 4.543 20 0 JJADLO C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1Cl ZINC001464319001 1068703672 /nfs/dbraw/zinc/70/36/72/1068703672.db2.gz FRHBNYRPUPMOPP-GOSISDBHSA-N 1 2 450.970 4.781 20 0 JJADLO C[C@@H](CC(=O)Nc1ccccc1OCCn1cc[nH+]c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001464382770 1068726367 /nfs/dbraw/zinc/72/63/67/1068726367.db2.gz HDOYFTLVCRNVJH-IBGZPJMESA-N 1 2 456.587 4.574 20 0 JJADLO CC(C)(C)OC(=O)N1CCc2c(cccc2C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC001464385500 1068727200 /nfs/dbraw/zinc/72/72/00/1068727200.db2.gz UNBOFYWXYOHNBT-UHFFFAOYSA-N 1 2 456.612 4.675 20 0 JJADLO C[C@H](C(=O)N[C@H](c1ccsc1)c1ccc(Cl)cc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001464421673 1068739733 /nfs/dbraw/zinc/73/97/33/1068739733.db2.gz VJKYVFRDOLHCOU-HXOBKFHXSA-N 1 2 458.002 4.957 20 0 JJADLO CCOc1ccc(S(=O)(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)c2ccccc12 ZINC001464502225 1068767399 /nfs/dbraw/zinc/76/73/99/1068767399.db2.gz JNMBZQBCPPQLKE-NHCUHLMSSA-N 1 2 478.536 4.580 20 0 JJADLO CCOc1ccc(S(=O)(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)c2ccccc12 ZINC001464502225 1068767410 /nfs/dbraw/zinc/76/74/10/1068767410.db2.gz JNMBZQBCPPQLKE-NHCUHLMSSA-N 1 2 478.536 4.580 20 0 JJADLO Cc1sc2c(cccc2C)c1S(=O)(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001464508493 1068768901 /nfs/dbraw/zinc/76/89/01/1068768901.db2.gz FFKCBZQAINTSPT-RTBURBONSA-N 1 2 468.566 4.859 20 0 JJADLO Cc1sc2c(cccc2C)c1S(=O)(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001464508493 1068768910 /nfs/dbraw/zinc/76/89/10/1068768910.db2.gz FFKCBZQAINTSPT-RTBURBONSA-N 1 2 468.566 4.859 20 0 JJADLO FC(F)(c1cc(Cl)ncc1Cl)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164417528 718889465 /nfs/dbraw/zinc/88/94/65/718889465.db2.gz LIBUFNQOTUTQKD-ZDUSSCGKSA-N 1 2 478.124 4.921 20 0 JJADLO FC(F)(c1ccc2ncc(Cl)nc2c1)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164416291 718889981 /nfs/dbraw/zinc/88/99/81/718889981.db2.gz CTWAQAIISAJFPY-INIZCTEOSA-N 1 2 494.727 4.816 20 0 JJADLO FC(F)(c1ccc2c(Cl)ncnc2c1)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164421910 718890005 /nfs/dbraw/zinc/89/00/05/718890005.db2.gz ZHHJIPRZOSCPRO-MRXNPFEDSA-N 1 2 494.727 4.816 20 0 JJADLO FC(F)(c1nc2ccccc2nc1Cl)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164417938 718890364 /nfs/dbraw/zinc/89/03/64/718890364.db2.gz LPTHNAVXMMLTKC-HNNXBMFYSA-N 1 2 494.727 4.816 20 0 JJADLO FC(F)(c1cc(Cl)nc2c1CCC2)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164415740 718890830 /nfs/dbraw/zinc/89/08/30/718890830.db2.gz AELMUWWAUKEXOF-MRXNPFEDSA-N 1 2 483.744 4.757 20 0 JJADLO CCOC(=O)c1cc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@H+]3CC)ncc1Cl ZINC001164664085 719346393 /nfs/dbraw/zinc/34/63/93/719346393.db2.gz QOURFPLITORWFV-UHFFFAOYSA-N 1 2 480.012 4.606 20 0 JJADLO CCOC(=O)c1cc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@@H+]3CC)ncc1Cl ZINC001164664085 719346395 /nfs/dbraw/zinc/34/63/95/719346395.db2.gz QOURFPLITORWFV-UHFFFAOYSA-N 1 2 480.012 4.606 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncccc1C(=O)NC1CCCCC1)CC2 ZINC001164663001 719346421 /nfs/dbraw/zinc/34/64/21/719346421.db2.gz BWOFXFZXPCODBZ-UHFFFAOYSA-N 1 2 498.675 4.839 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncccc1C(=O)NC1CCCCC1)CC2 ZINC001164663001 719346422 /nfs/dbraw/zinc/34/64/22/719346422.db2.gz BWOFXFZXPCODBZ-UHFFFAOYSA-N 1 2 498.675 4.839 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cnc3c(Cl)cccc3n1)CC2 ZINC001164664495 719348412 /nfs/dbraw/zinc/34/84/12/719348412.db2.gz VYYJUMUUCACILR-UHFFFAOYSA-N 1 2 458.997 4.978 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cnc3c(Cl)cccc3n1)CC2 ZINC001164664495 719348414 /nfs/dbraw/zinc/34/84/14/719348414.db2.gz VYYJUMUUCACILR-UHFFFAOYSA-N 1 2 458.997 4.978 20 0 JJADLO CCOC(=O)c1cnc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@H+]3CC)c(Cl)c1 ZINC001164658958 719350462 /nfs/dbraw/zinc/35/04/62/719350462.db2.gz NCMPKUHGACYPLE-UHFFFAOYSA-N 1 2 480.012 4.606 20 0 JJADLO CCOC(=O)c1cnc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@@H+]3CC)c(Cl)c1 ZINC001164658958 719350465 /nfs/dbraw/zinc/35/04/65/719350465.db2.gz NCMPKUHGACYPLE-UHFFFAOYSA-N 1 2 480.012 4.606 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc3cc(Cl)ccc3n1)CC2 ZINC001164660586 719351315 /nfs/dbraw/zinc/35/13/15/719351315.db2.gz VPHZXLIPAISZMZ-UHFFFAOYSA-N 1 2 458.997 4.978 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc3cc(Cl)ccc3n1)CC2 ZINC001164660586 719351320 /nfs/dbraw/zinc/35/13/20/719351320.db2.gz VPHZXLIPAISZMZ-UHFFFAOYSA-N 1 2 458.997 4.978 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3cc(C)c(C)cc31)CC2 ZINC001164658956 719355047 /nfs/dbraw/zinc/35/50/47/719355047.db2.gz MYPVJOLIPIMTCJ-UHFFFAOYSA-N 1 2 452.606 4.941 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3cc(C)c(C)cc31)CC2 ZINC001164658956 719355052 /nfs/dbraw/zinc/35/50/52/719355052.db2.gz MYPVJOLIPIMTCJ-UHFFFAOYSA-N 1 2 452.606 4.941 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C3CCC3)nc3[nH]ccc31)CC2 ZINC001164663503 719356690 /nfs/dbraw/zinc/35/66/90/719356690.db2.gz GTHFMSRUADEEPT-UHFFFAOYSA-N 1 2 467.621 4.920 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C3CCC3)nc3[nH]ccc31)CC2 ZINC001164663503 719356694 /nfs/dbraw/zinc/35/66/94/719356694.db2.gz GTHFMSRUADEEPT-UHFFFAOYSA-N 1 2 467.621 4.920 20 0 JJADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2cc(-c4cccc(Cl)c4)ncn2)CC3)cc1 ZINC001164670256 719523272 /nfs/dbraw/zinc/52/32/72/719523272.db2.gz COXJFYIEHOOSBS-UHFFFAOYSA-N 1 2 452.961 4.808 20 0 JJADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2cc(-c4cccc(Cl)c4)ncn2)CC3)cc1 ZINC001164670256 719523279 /nfs/dbraw/zinc/52/32/79/719523279.db2.gz COXJFYIEHOOSBS-UHFFFAOYSA-N 1 2 452.961 4.808 20 0 JJADLO Cc1ccc(-c2nc3c(ncnc3N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)o2)cc1 ZINC001164672604 719523876 /nfs/dbraw/zinc/52/38/76/719523876.db2.gz LPXHZPOPCYNUEO-UHFFFAOYSA-N 1 2 473.552 4.604 20 0 JJADLO Cc1ccc(-c2nc3c(ncnc3N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)o2)cc1 ZINC001164672604 719523880 /nfs/dbraw/zinc/52/38/80/719523880.db2.gz LPXHZPOPCYNUEO-UHFFFAOYSA-N 1 2 473.552 4.604 20 0 JJADLO Cc1cc(-c2ccccc2F)nnc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164677539 719529869 /nfs/dbraw/zinc/52/98/69/719529869.db2.gz FIFAMBMDVNJZLW-UHFFFAOYSA-N 1 2 450.533 4.602 20 0 JJADLO Cc1cc(-c2ccccc2F)nnc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164677539 719529878 /nfs/dbraw/zinc/52/98/78/719529878.db2.gz FIFAMBMDVNJZLW-UHFFFAOYSA-N 1 2 450.533 4.602 20 0 JJADLO CC(C)(C)OC(=O)c1cnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c(Cl)c1 ZINC001164677575 719530486 /nfs/dbraw/zinc/53/04/86/719530486.db2.gz FYLLINLIVUHEGJ-UHFFFAOYSA-N 1 2 475.992 4.701 20 0 JJADLO CC(C)(C)OC(=O)c1cnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c(Cl)c1 ZINC001164677575 719530491 /nfs/dbraw/zinc/53/04/91/719530491.db2.gz FYLLINLIVUHEGJ-UHFFFAOYSA-N 1 2 475.992 4.701 20 0 JJADLO COc1ccc(Cc2c(C)nc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)nc2C)cc1 ZINC001164677276 719530502 /nfs/dbraw/zinc/53/05/02/719530502.db2.gz CFNJLLSCWUSRJQ-UHFFFAOYSA-N 1 2 490.623 4.703 20 0 JJADLO COc1ccc(Cc2c(C)nc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)nc2C)cc1 ZINC001164677276 719530511 /nfs/dbraw/zinc/53/05/11/719530511.db2.gz CFNJLLSCWUSRJQ-UHFFFAOYSA-N 1 2 490.623 4.703 20 0 JJADLO COc1ccc(Oc2nc(Cl)ncc2N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)cc1 ZINC001164678954 719533045 /nfs/dbraw/zinc/53/30/45/719533045.db2.gz PBXUZXMAIWGSHP-UHFFFAOYSA-N 1 2 498.986 4.941 20 0 JJADLO COc1ccc(Oc2nc(Cl)ncc2N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)cc1 ZINC001164678954 719533050 /nfs/dbraw/zinc/53/30/50/719533050.db2.gz PBXUZXMAIWGSHP-UHFFFAOYSA-N 1 2 498.986 4.941 20 0 JJADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN(C(F)(F)C3(c4ccc(Cl)nc4)CC3)CC2)cc1 ZINC001164696455 719830496 /nfs/dbraw/zinc/83/04/96/719830496.db2.gz KNANDKJSIQMPNT-UHFFFAOYSA-N 1 2 497.977 4.759 20 0 JJADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc(-c2ccc(C)cc2)nnc1Cl ZINC001164725037 720317662 /nfs/dbraw/zinc/31/76/62/720317662.db2.gz VISBSQGXRATAJP-OAQYLSRUSA-N 1 2 488.970 4.668 20 0 JJADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc(Cl)nc2c1CCCCC2 ZINC001164724624 720318447 /nfs/dbraw/zinc/31/84/47/720318447.db2.gz SENGFNJNXIMJBP-FQEVSTJZSA-N 1 2 465.976 4.566 20 0 JJADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(Cl)nc5cc(Cl)ccc54)CC3)C2=O)cs1 ZINC001164824149 720366859 /nfs/dbraw/zinc/36/68/59/720366859.db2.gz JTLJVNVAMJYHAF-UHFFFAOYSA-N 1 2 490.460 4.620 20 0 JJADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(Cl)nc5cc(Cl)ccc54)CC3)C2=O)cs1 ZINC001164824149 720366864 /nfs/dbraw/zinc/36/68/64/720366864.db2.gz JTLJVNVAMJYHAF-UHFFFAOYSA-N 1 2 490.460 4.620 20 0 JJADLO FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164758051 720979592 /nfs/dbraw/zinc/97/95/92/720979592.db2.gz SFKGXPHZLSILEA-GFCCVEGCSA-N 1 2 451.732 4.846 20 0 JJADLO FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164757964 720982199 /nfs/dbraw/zinc/98/21/99/720982199.db2.gz RLQMVIBRDCCQGB-QGZVFWFLSA-N 1 2 459.928 4.601 20 0 JJADLO O=C(c1cccnc1N1CCC[C@]2(C[C@H](c3ccccc3)CO2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164774188 721059881 /nfs/dbraw/zinc/05/98/81/721059881.db2.gz VIROEAHYJNKLBY-DHIFEGFHSA-N 1 2 496.655 4.583 20 0 JJADLO FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164869553 721218255 /nfs/dbraw/zinc/21/82/55/721218255.db2.gz CWGMVZNFAVMNQF-UHFFFAOYSA-N 1 2 480.346 4.752 20 0 JJADLO FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164869035 721218302 /nfs/dbraw/zinc/21/83/02/721218302.db2.gz AHNOUORAGGMTMZ-UHFFFAOYSA-N 1 2 480.346 4.752 20 0 JJADLO FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164874364 721219925 /nfs/dbraw/zinc/21/99/25/721219925.db2.gz UYKGVXRWMJPOSI-UHFFFAOYSA-N 1 2 471.939 4.613 20 0 JJADLO FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164872749 721221904 /nfs/dbraw/zinc/22/19/04/721221904.db2.gz OAQWRNNDPHBZRR-UHFFFAOYSA-N 1 2 462.850 4.570 20 0 JJADLO Fc1cccc(-c2cc(C(F)(F)N3CCC4(CC3)CN(c3cccc[nH+]3)CCO4)c(Cl)nn2)c1 ZINC001164870623 721222936 /nfs/dbraw/zinc/22/29/36/721222936.db2.gz GWTCBBHGGQNBPR-UHFFFAOYSA-N 1 2 489.929 4.752 20 0 JJADLO FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164765820 721273501 /nfs/dbraw/zinc/27/35/01/721273501.db2.gz LEYGEASAMDNWCP-AWEZNQCLSA-N 1 2 491.329 4.788 20 0 JJADLO FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164782162 721399123 /nfs/dbraw/zinc/39/91/23/721399123.db2.gz DTRBYNWHKUGVAS-VXGBXAGGSA-N 1 2 456.349 4.506 20 0 JJADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1ccc(OCc3ccc(Cl)nc3)cc1)C2 ZINC001165008217 721717087 /nfs/dbraw/zinc/71/70/87/721717087.db2.gz CQZAVZZZSQRFDB-UHFFFAOYSA-N 1 2 490.986 4.701 20 0 JJADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1ccc(OCc3ccc(Cl)nc3)cc1)C2 ZINC001165008217 721717092 /nfs/dbraw/zinc/71/70/92/721717092.db2.gz CQZAVZZZSQRFDB-UHFFFAOYSA-N 1 2 490.986 4.701 20 0 JJADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(-c3cccc(Cl)c3)nc3c1CCCC3)C2 ZINC001165012012 721717326 /nfs/dbraw/zinc/71/73/26/721717326.db2.gz YODKJUZYFCLVAC-UHFFFAOYSA-N 1 2 466.033 4.518 20 0 JJADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(-c3cccc(Cl)c3)nc3c1CCCC3)C2 ZINC001165012012 721717329 /nfs/dbraw/zinc/71/73/29/721717329.db2.gz YODKJUZYFCLVAC-UHFFFAOYSA-N 1 2 466.033 4.518 20 0 JJADLO COc1ccc(-c2nc3ccc(Cl)cc3c(N3CCC4(CC3)c3[nH+]cc(C)n3CCN4C)n2)cc1 ZINC001164917162 721816765 /nfs/dbraw/zinc/81/67/65/721816765.db2.gz COASPBTYKJWANB-UHFFFAOYSA-N 1 2 489.023 4.905 20 0 JJADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2cnc(Cl)c(-c3cccs3)c2)CC1 ZINC001164919395 721821965 /nfs/dbraw/zinc/82/19/65/721821965.db2.gz POSCUIQJUSTCEU-UHFFFAOYSA-N 1 2 463.985 4.954 20 0 JJADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2cnc(Cl)c(-c3cccs3)c2)CC1 ZINC001164919395 721821967 /nfs/dbraw/zinc/82/19/67/721821967.db2.gz POSCUIQJUSTCEU-UHFFFAOYSA-N 1 2 463.985 4.954 20 0 JJADLO Fc1ccc(OC2CCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)CC2)c(Cl)c1 ZINC001165033850 721879940 /nfs/dbraw/zinc/87/99/40/721879940.db2.gz WINYERYNDSTPBH-UHFFFAOYSA-N 1 2 452.961 4.875 20 0 JJADLO Fc1ccc(OC2CCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)CC2)c(Cl)c1 ZINC001165033850 721879943 /nfs/dbraw/zinc/87/99/43/721879943.db2.gz WINYERYNDSTPBH-UHFFFAOYSA-N 1 2 452.961 4.875 20 0 JJADLO O=C1CC2(CCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)CC2)c2ccccc2N1CC1CC1 ZINC001164971748 722160642 /nfs/dbraw/zinc/16/06/42/722160642.db2.gz FGLLTOCIFMNICI-UHFFFAOYSA-N 1 2 493.655 4.720 20 0 JJADLO O=C1CC2(CCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)CC2)c2ccccc2N1CC1CC1 ZINC001164971748 722160646 /nfs/dbraw/zinc/16/06/46/722160646.db2.gz FGLLTOCIFMNICI-UHFFFAOYSA-N 1 2 493.655 4.720 20 0 JJADLO c1ccc(C[N@@H+]2CCc3ncnc(N4C[C@@H]5c6ccccc6[C@H](OCC6CC6)[C@@H]5C4)c3C2)cc1 ZINC001164973971 722170311 /nfs/dbraw/zinc/17/03/11/722170311.db2.gz DIVBYVBKAXMSIL-SKVJQKLOSA-N 1 2 452.602 4.736 20 0 JJADLO c1ccc(C[N@H+]2CCc3ncnc(N4C[C@@H]5c6ccccc6[C@H](OCC6CC6)[C@@H]5C4)c3C2)cc1 ZINC001164973971 722170313 /nfs/dbraw/zinc/17/03/13/722170313.db2.gz DIVBYVBKAXMSIL-SKVJQKLOSA-N 1 2 452.602 4.736 20 0 JJADLO c1ccc(C[C@@H]2[C@H](OCC3CC3)CCN2c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)cc1 ZINC001165007461 722271354 /nfs/dbraw/zinc/27/13/54/722271354.db2.gz WOTFPODSTOMLSM-VSGBNLITSA-N 1 2 454.618 4.652 20 0 JJADLO c1ccc(C[C@@H]2[C@H](OCC3CC3)CCN2c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC001165007461 722271357 /nfs/dbraw/zinc/27/13/57/722271357.db2.gz WOTFPODSTOMLSM-VSGBNLITSA-N 1 2 454.618 4.652 20 0 JJADLO CC(C)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 ZINC001359717093 1064265763 /nfs/dbraw/zinc/26/57/63/1064265763.db2.gz IDIUSTAATHNXIS-FQEVSTJZSA-N 1 2 462.495 4.744 20 0 JJADLO CC(C)c1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1C[C@H]1CCCO[C@@H]1C(C)C ZINC001359719052 1064266197 /nfs/dbraw/zinc/26/61/97/1064266197.db2.gz AJSISLRNPCGFGS-FYYLOGMGSA-N 1 2 460.066 4.828 20 0 JJADLO CC(C)c1nnc(N2CC[NH+](CCOc3ccccc3Cl)CC2)n1C[C@H](C)c1nccs1 ZINC001359720991 1064268642 /nfs/dbraw/zinc/26/86/42/1064268642.db2.gz KGJGDYUXGRFWKQ-SFHVURJKSA-N 1 2 475.062 4.516 20 0 JJADLO CC(C)[C@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCNc2cccc[nH+]2)C1 ZINC001359732911 1064288485 /nfs/dbraw/zinc/28/84/85/1064288485.db2.gz NNVDWXWSTIFHSO-QZNHQXDQSA-N 1 2 454.663 4.966 20 0 JJADLO CC(C)[C@@H]1CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001359737694 1064299564 /nfs/dbraw/zinc/29/95/64/1064299564.db2.gz DIDCVAWIJVGDRF-QPPBQGQZSA-N 1 2 469.674 4.500 20 0 JJADLO CC(C)[C@H]1CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001359737696 1064299623 /nfs/dbraw/zinc/29/96/23/1064299623.db2.gz DIDCVAWIJVGDRF-XUZZJYLKSA-N 1 2 469.674 4.500 20 0 JJADLO CC(C)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001359742861 1064312577 /nfs/dbraw/zinc/31/25/77/1064312577.db2.gz WGWADISRHPAWIZ-FGZHOGPDSA-N 1 2 461.601 4.973 20 0 JJADLO CC(C)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCNc2cccc[nH+]2)CC1 ZINC001359743256 1064313204 /nfs/dbraw/zinc/31/32/04/1064313204.db2.gz FVHDAPLPVXBTCY-UHFFFAOYSA-N 1 2 454.569 4.917 20 0 JJADLO O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)[C@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001434887272 1064319331 /nfs/dbraw/zinc/31/93/31/1064319331.db2.gz SWQVHMDUICTEPJ-ACIOBRDBSA-N 1 2 457.412 4.870 20 0 JJADLO CC(C)[C@@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2CC[N@@H+]2CCOC[C@H]2C)CCS1 ZINC001359755428 1064348779 /nfs/dbraw/zinc/34/87/79/1064348779.db2.gz ABUITWGEWVKCFG-NQIIRXRSSA-N 1 2 496.146 4.522 20 0 JJADLO CC(C)[C@@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2CC[N@H+]2CCOC[C@H]2C)CCS1 ZINC001359755428 1064348793 /nfs/dbraw/zinc/34/87/93/1064348793.db2.gz ABUITWGEWVKCFG-NQIIRXRSSA-N 1 2 496.146 4.522 20 0 JJADLO CC(C)Cc1nnc(N(C)Cc2ccc(Br)s2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001359780379 1064429759 /nfs/dbraw/zinc/42/97/59/1064429759.db2.gz UEYZFTMSQYOSBA-UHFFFAOYSA-N 1 2 489.487 4.981 20 0 JJADLO CC(C)Oc1ccccc1C(F)(F)C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC001359790596 1064447418 /nfs/dbraw/zinc/44/74/18/1064447418.db2.gz RTHJPNDIGCTWPQ-UHFFFAOYSA-N 1 2 453.493 4.841 20 0 JJADLO CC(C)Cc1nnc(N2CCc3cc(OCC(C)(C)F)ccc3C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001359823263 1064505775 /nfs/dbraw/zinc/50/57/75/1064505775.db2.gz PHSQYHCEBQCPNY-UHFFFAOYSA-N 1 2 480.632 4.676 20 0 JJADLO CC(C)Cc1nnc(N2CCO[C@@H](c3ccccc3Br)C2)n1CCCNc1cccc[nH+]1 ZINC001359869220 1064561743 /nfs/dbraw/zinc/56/17/43/1064561743.db2.gz URSHMXYHKOKJEO-OAQYLSRUSA-N 1 2 499.457 4.714 20 0 JJADLO CC(C)Cc1nnc(N2CCOC3(C2)CCCCCC3)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001359870862 1064562903 /nfs/dbraw/zinc/56/29/03/1064562903.db2.gz SZEDMRKCCROZSN-QFIPXVFZSA-N 1 2 475.628 4.987 20 0 JJADLO COc1ccc(-c2nc(C)c(C(=O)Nc3cc(C[NH+]4CCOCC4)ccc3C)s2)c(F)c1 ZINC001435216973 1064597301 /nfs/dbraw/zinc/59/73/01/1064597301.db2.gz VSKOFPLUAZCTCV-UHFFFAOYSA-N 1 2 455.555 4.659 20 0 JJADLO COc1ccccc1-c1ccc(C(=O)N2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)c(=O)[nH]1 ZINC001435311071 1064685075 /nfs/dbraw/zinc/68/50/75/1064685075.db2.gz WMYQYQASJLNXQZ-KRWDZBQOSA-N 1 2 451.954 4.635 20 0 JJADLO CC[C@H](CNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)Oc1cccc(C(F)(F)F)c1 ZINC001435433416 1064754692 /nfs/dbraw/zinc/75/46/92/1064754692.db2.gz ATQBWLIFBVFEDZ-TZIWHRDSSA-N 1 2 452.542 4.769 20 0 JJADLO C[C@H](c1cccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C2CCCCCC2)c1)[NH+]1CCOCC1 ZINC001359997115 1064782717 /nfs/dbraw/zinc/78/27/17/1064782717.db2.gz NDIJYGMVBIEDDU-XXBNENTESA-N 1 2 459.631 4.882 20 0 JJADLO CCOc1ccc(-c2nc(CC)c(C(=O)Nc3ccc(N4CCOCC4)[nH+]c3C)s2)cc1 ZINC001435497901 1064790516 /nfs/dbraw/zinc/79/05/16/1064790516.db2.gz QRZPFGHABUDKSI-UHFFFAOYSA-N 1 2 452.580 4.564 20 0 JJADLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc(Oc2ccc(Br)cc2)c(F)c1 ZINC001435593373 1064859259 /nfs/dbraw/zinc/85/92/59/1064859259.db2.gz SARQKVHBYNVVDH-KRWDZBQOSA-N 1 2 456.315 4.784 20 0 JJADLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(OC)c(C(C)C)c(OC)c1 ZINC001435627321 1064889507 /nfs/dbraw/zinc/88/95/07/1064889507.db2.gz YFOUSLRDFKNAHP-CVDCTZTESA-N 1 2 453.627 4.903 20 0 JJADLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(OC)c(C(C)C)c(OC)c1 ZINC001435627321 1064889521 /nfs/dbraw/zinc/88/95/21/1064889521.db2.gz YFOUSLRDFKNAHP-CVDCTZTESA-N 1 2 453.627 4.903 20 0 JJADLO C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC001435745645 1064970019 /nfs/dbraw/zinc/97/00/19/1064970019.db2.gz FGICDSKFAJXYSE-NQERJWCQSA-N 1 2 454.920 4.726 20 0 JJADLO C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC001435745645 1064970035 /nfs/dbraw/zinc/97/00/35/1064970035.db2.gz FGICDSKFAJXYSE-NQERJWCQSA-N 1 2 454.920 4.726 20 0 JJADLO COc1cc(CNC(=O)C[C@@H](C)n2cc[nH+]c2)cc(Br)c1OCc1ccccc1 ZINC001435745356 1064970143 /nfs/dbraw/zinc/97/01/43/1064970143.db2.gz HFXDKKKGSPOXCI-MRXNPFEDSA-N 1 2 458.356 4.501 20 0 JJADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)c2cc(Br)ccc2Cl)c2ccc(Cl)cc2)C1 ZINC001435745650 1064970569 /nfs/dbraw/zinc/97/05/69/1064970569.db2.gz FLDSVYJREREPRC-ZWKOTPCHSA-N 1 2 458.183 4.558 20 0 JJADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)c2cc(Br)ccc2Cl)c2ccc(Cl)cc2)C1 ZINC001435745650 1064970585 /nfs/dbraw/zinc/97/05/85/1064970585.db2.gz FLDSVYJREREPRC-ZWKOTPCHSA-N 1 2 458.183 4.558 20 0 JJADLO Cc1sc(Br)c(C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)c1C ZINC001435748801 1064972412 /nfs/dbraw/zinc/97/24/12/1064972412.db2.gz NCDANKVQACLTPS-NVXWUHKLSA-N 1 2 457.821 4.583 20 0 JJADLO Cc1sc(Br)c(C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)c1C ZINC001435748801 1064972425 /nfs/dbraw/zinc/97/24/25/1064972425.db2.gz NCDANKVQACLTPS-NVXWUHKLSA-N 1 2 457.821 4.583 20 0 JJADLO CC(C)N(Cc1cccc(F)c1)c1nnc([C@H]2CCCCO2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001360116683 1065001876 /nfs/dbraw/zinc/00/18/76/1065001876.db2.gz MPIOITISOTYMNY-JOCHJYFZSA-N 1 2 452.578 4.583 20 0 JJADLO COc1ccc2c(c1)CCC[C@@H]2CNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC001435828337 1065012488 /nfs/dbraw/zinc/01/24/88/1065012488.db2.gz VOINBKRKHCTRJM-XXBNENTESA-N 1 2 457.412 4.831 20 0 JJADLO CC/C(=C\C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1)c1ccc(OC)cc1 ZINC001435916687 1065061727 /nfs/dbraw/zinc/06/17/27/1065061727.db2.gz VOFCPJIYLKXITR-BMRADRMJSA-N 1 2 458.400 4.642 20 0 JJADLO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(C)C)C2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001545894369 1065075691 /nfs/dbraw/zinc/07/56/91/1065075691.db2.gz VKPCJCLCVZEUNF-HSZRJFAPSA-N 1 2 495.716 4.893 20 0 JJADLO CC(C)SCCn1c(-c2ccccc2)nnc1N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC001360417478 1065281749 /nfs/dbraw/zinc/28/17/49/1065281749.db2.gz WXGMISPBINPCDE-NRFANRHFSA-N 1 2 471.696 4.658 20 0 JJADLO C[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2nnc(-c3cnccn3)n2CCCC(C)(C)C)CC1 ZINC001360437056 1065317360 /nfs/dbraw/zinc/31/73/60/1065317360.db2.gz BNZRLJABWYMYOP-GOSISDBHSA-N 1 2 469.584 4.723 20 0 JJADLO C[C@@H](Oc1ccc(F)cc1Br)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001436458549 1065322952 /nfs/dbraw/zinc/32/29/52/1065322952.db2.gz VIECTPGSJSYRPF-GFCCVEGCSA-N 1 2 452.711 4.511 20 0 JJADLO C[C@@H](CN(C)c1nnc(C(C)(C)C)n1Cc1ccc(N2CCCCC2)[nH+]c1)c1nccs1 ZINC001360518847 1065483730 /nfs/dbraw/zinc/48/37/30/1065483730.db2.gz FSPMAEQBTQQFFE-SFHVURJKSA-N 1 2 453.660 4.706 20 0 JJADLO C[C@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)Cc1cccs1)[NH+]1CCOCC1 ZINC001360583342 1065580761 /nfs/dbraw/zinc/58/07/61/1065580761.db2.gz BMJNOKFROSKRBL-MRXNPFEDSA-N 1 2 496.464 4.583 20 0 JJADLO C[C@@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)C1CCCCC1)[NH+]1CCOCC1 ZINC001360584279 1065583726 /nfs/dbraw/zinc/58/37/26/1065583726.db2.gz UPIHRCMEVNROTM-NRFANRHFSA-N 1 2 469.674 4.644 20 0 JJADLO C[C@H](NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)c1cc(F)c(Br)cc1F ZINC001437813360 1065613288 /nfs/dbraw/zinc/61/32/88/1065613288.db2.gz SYCZNVFDFZDYCT-DJJJIMSYSA-N 1 2 455.368 4.695 20 0 JJADLO C[C@@H](NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)c1cc(F)c(Br)cc1F ZINC001437813377 1065613318 /nfs/dbraw/zinc/61/33/18/1065613318.db2.gz SYCZNVFDFZDYCT-YJYMSZOUSA-N 1 2 455.368 4.695 20 0 JJADLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)c3ccc(Oc4ccc(F)c(F)c4)cc3)C2)c1 ZINC001438560587 1065731273 /nfs/dbraw/zinc/73/12/73/1065731273.db2.gz COFAYYIJKGCOAQ-HSZRJFAPSA-N 1 2 452.501 4.696 20 0 JJADLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)c3ccc(Oc4ccc(F)c(F)c4)cc3)C2)c1 ZINC001438560587 1065731282 /nfs/dbraw/zinc/73/12/82/1065731282.db2.gz COFAYYIJKGCOAQ-HSZRJFAPSA-N 1 2 452.501 4.696 20 0 JJADLO CCc1ccc(C[NH+]2CCN(C(=O)c3cc(Br)c(Cl)cc3OC)CC2)cc1 ZINC001438886519 1065762643 /nfs/dbraw/zinc/76/26/43/1065762643.db2.gz VMQQHFALNHRJSC-UHFFFAOYSA-N 1 2 451.792 4.632 20 0 JJADLO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001360745565 1065784967 /nfs/dbraw/zinc/78/49/67/1065784967.db2.gz MUNXVNFYABVNEO-AUSIDOKSSA-N 1 2 496.631 4.850 20 0 JJADLO C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)C2CCCCC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001360753406 1065799344 /nfs/dbraw/zinc/79/93/44/1065799344.db2.gz CHGCIRNBGBHQFD-OALUTQOASA-N 1 2 462.038 4.561 20 0 JJADLO C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)C2CCCCC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001360753406 1065799354 /nfs/dbraw/zinc/79/93/54/1065799354.db2.gz CHGCIRNBGBHQFD-OALUTQOASA-N 1 2 462.038 4.561 20 0 JJADLO C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CC(F)(F)F)n1CCCNc1cccc[nH+]1 ZINC001360754019 1065802105 /nfs/dbraw/zinc/80/21/05/1065802105.db2.gz MULJVSFSGFXXTQ-HNNXBMFYSA-N 1 2 468.911 4.967 20 0 JJADLO O=C(Nc1cccc([C@H]2CCCC(=O)N2)c1)[C@@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001439317228 1065814619 /nfs/dbraw/zinc/81/46/19/1065814619.db2.gz AYWBVUUPGMSNMH-IFMALSPDSA-N 1 2 456.384 4.566 20 0 JJADLO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@H](C(C)(C)C)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001360756474 1065815026 /nfs/dbraw/zinc/81/50/26/1065815026.db2.gz VCTKULPGCNHHLC-UFYCRDLUSA-N 1 2 476.065 4.665 20 0 JJADLO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@H](C(C)(C)C)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001360756474 1065815035 /nfs/dbraw/zinc/81/50/35/1065815035.db2.gz VCTKULPGCNHHLC-UFYCRDLUSA-N 1 2 476.065 4.665 20 0 JJADLO CC(C)N(Cc1ccco1)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001360756499 1065815389 /nfs/dbraw/zinc/81/53/89/1065815389.db2.gz VOFXFOVFHWYUSN-PMACEKPBSA-N 1 2 488.032 4.800 20 0 JJADLO CC(C)N(Cc1ccco1)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001360756499 1065815403 /nfs/dbraw/zinc/81/54/03/1065815403.db2.gz VOFXFOVFHWYUSN-PMACEKPBSA-N 1 2 488.032 4.800 20 0 JJADLO CC(C)[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001360768935 1065859022 /nfs/dbraw/zinc/85/90/22/1065859022.db2.gz AAEFYOCZIPEMBC-UYAOXDASSA-N 1 2 452.578 4.549 20 0 JJADLO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1CCC1=CCCCC1 ZINC001545924322 1065859460 /nfs/dbraw/zinc/85/94/60/1065859460.db2.gz WYVVTHSMFRJSSG-UHFFFAOYSA-N 1 2 482.648 4.548 20 0 JJADLO CC(C)[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCNc2cccc[nH+]2)C1 ZINC001360769083 1065859767 /nfs/dbraw/zinc/85/97/67/1065859767.db2.gz CZMBANOVDCSMDC-WOJBJXKFSA-N 1 2 452.578 4.937 20 0 JJADLO C[C@H](Oc1ccccc1F)c1nnc(N2CCC(OC(C)(C)C)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001360775018 1065876128 /nfs/dbraw/zinc/87/61/28/1065876128.db2.gz QLTGFJYOSYBVSJ-IBGZPJMESA-N 1 2 496.631 4.850 20 0 JJADLO O=C(NCc1cccc(OCC(F)F)c1)[C@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001360806991 1065919378 /nfs/dbraw/zinc/91/93/78/1065919378.db2.gz ULVFKJMZYNYKCP-FQEVSTJZSA-N 1 2 453.327 4.546 20 0 JJADLO Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H]3CCC[C@H](C)C3)n2CC[N@@H+]2CCOC[C@H]2C)c1C ZINC001360866589 1065989179 /nfs/dbraw/zinc/98/91/79/1065989179.db2.gz WACIRGSPKYMSHQ-IVGWJTKZSA-N 1 2 469.674 4.771 20 0 JJADLO Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H]3CCC[C@H](C)C3)n2CC[N@H+]2CCOC[C@H]2C)c1C ZINC001360866589 1065989192 /nfs/dbraw/zinc/98/91/92/1065989192.db2.gz WACIRGSPKYMSHQ-IVGWJTKZSA-N 1 2 469.674 4.771 20 0 JJADLO Cc1cccc(O[C@H](C)c2nnc(N(C)CC(F)(F)F)n2Cc2ccc(N(C)C)[nH+]c2)c1C ZINC001360866570 1065989392 /nfs/dbraw/zinc/98/93/92/1065989392.db2.gz VTNVYYNOYJAGGX-QGZVFWFLSA-N 1 2 462.520 4.543 20 0 JJADLO COc1ccc([C@H](CNC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)c2c[nH]c3ccccc32)cc1 ZINC001440890645 1065990385 /nfs/dbraw/zinc/99/03/85/1065990385.db2.gz ATBNYZMMGQHSGH-UGKGYDQZSA-N 1 2 456.468 4.815 20 0 JJADLO Cc1cccc(O[C@@H](C)c2nnc(N(C)CC3CC(F)C3)n2Cc2ccc(N(C)C)[nH+]c2)c1C ZINC001360869949 1066000241 /nfs/dbraw/zinc/00/02/41/1066000241.db2.gz STSKYAHOPDUJHJ-KPQWGBOZSA-N 1 2 466.605 4.729 20 0 JJADLO Cc1cccc(O[C@@H](C)c2nnc(N(Cc3ccco3)C(C)C)n2C[C@H](C)[NH+]2CCOCC2)c1C ZINC001360870686 1066003197 /nfs/dbraw/zinc/00/31/97/1066003197.db2.gz PVGKYRLRIJRLRY-GMAHTHKFSA-N 1 2 481.641 4.764 20 0 JJADLO Cc1cccc(O[C@H](C)c2nnc(N3C[C@H](C)C[C@H](C)C3)n2CC(C)(C)[NH+]2CCOCC2)c1C ZINC001360870985 1066004181 /nfs/dbraw/zinc/00/41/81/1066004181.db2.gz RWUOZYGUYAQQHM-ZRCGQRJVSA-N 1 2 469.674 4.628 20 0 JJADLO CC(=O)Nc1cc(F)ccc1C(=O)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC001441251641 1066020914 /nfs/dbraw/zinc/02/09/14/1066020914.db2.gz QHPQXDBNOTWRFA-UHFFFAOYSA-N 1 2 455.530 4.610 20 0 JJADLO C[C@H](Cn1cc[nH+]c1)NC(=O)CCc1c2cccc(Br)c2[nH]c1-c1ccccc1 ZINC001441377807 1066036343 /nfs/dbraw/zinc/03/63/43/1066036343.db2.gz XMWJHXWVOJHWAW-MRXNPFEDSA-N 1 2 451.368 4.931 20 0 JJADLO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC(C)=C(C)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001360883651 1066037654 /nfs/dbraw/zinc/03/76/54/1066037654.db2.gz WCKPIVINWDKIEU-VXKWHMMOSA-N 1 2 488.076 4.956 20 0 JJADLO Cc1nc([C@H]2CCCN(c3nnc(C(C)(C)C)n3Cc3ccc(N(C)C)[nH+]c3)C2)sc1C ZINC001360894124 1066046389 /nfs/dbraw/zinc/04/63/89/1066046389.db2.gz IDPWHQDBEOMAPH-IBGZPJMESA-N 1 2 453.660 4.542 20 0 JJADLO C[C@@H](CNC(=O)c1cc2ccc(Br)cc2s1)[NH+]1CCN(c2ccccc2)CC1 ZINC001441492078 1066046484 /nfs/dbraw/zinc/04/64/84/1066046484.db2.gz IIMBBIKFVFXIQP-INIZCTEOSA-N 1 2 458.425 4.604 20 0 JJADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2nc(Br)sc2C2CC2)C[C@@H](C)O1 ZINC001441659519 1066058739 /nfs/dbraw/zinc/05/87/39/1066058739.db2.gz PZIIZUGIOJJRIO-CHWSQXEVSA-N 1 2 450.402 4.645 20 0 JJADLO CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2cnc(-c3ccc(OC)c(OC)c3)s2)CC1 ZINC001360928841 1066084708 /nfs/dbraw/zinc/08/47/08/1066084708.db2.gz PNBLJEWOLZNIEB-FQEVSTJZSA-N 1 2 451.592 4.736 20 0 JJADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3cc4ccc(C(F)(F)F)cc4[nH]c3=O)n2)C1 ZINC001442017711 1066086012 /nfs/dbraw/zinc/08/60/12/1066086012.db2.gz IVKCLMZTSGXMDG-GFCCVEGCSA-N 1 2 450.486 4.900 20 0 JJADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cc4ccc(C(F)(F)F)cc4[nH]c3=O)n2)C1 ZINC001442017711 1066086019 /nfs/dbraw/zinc/08/60/19/1066086019.db2.gz IVKCLMZTSGXMDG-GFCCVEGCSA-N 1 2 450.486 4.900 20 0 JJADLO Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(NC(=O)[C@@H](CC(C)C)n3cc[nH+]c3)cc2Cl)n1 ZINC001442301634 1066113964 /nfs/dbraw/zinc/11/39/64/1066113964.db2.gz ISNFYWFZMUWTNZ-LAUBAEHRSA-N 1 2 456.978 4.775 20 0 JJADLO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)c2cnc(-c3c(Cl)cccc3Cl)s2)C[C@H](C)O1 ZINC001442329935 1066116392 /nfs/dbraw/zinc/11/63/92/1066116392.db2.gz TZZJTFRJKDBLPZ-QLFBSQMISA-N 1 2 454.423 4.831 20 0 JJADLO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)c2cnc(-c3c(Cl)cccc3Cl)s2)C[C@H](C)O1 ZINC001442329935 1066116400 /nfs/dbraw/zinc/11/64/00/1066116400.db2.gz TZZJTFRJKDBLPZ-QLFBSQMISA-N 1 2 454.423 4.831 20 0 JJADLO COc1c(C)c[nH+]c(CNC(=O)c2cccc(OCc3ccccc3Br)c2)c1C ZINC001442654180 1066147582 /nfs/dbraw/zinc/14/75/82/1066147582.db2.gz HOUJKIMOUOAWDP-UHFFFAOYSA-N 1 2 455.352 4.979 20 0 JJADLO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CCC(C)C)n1C[C@H](C)[NH+]1CCOCC1 ZINC001360990843 1066169301 /nfs/dbraw/zinc/16/93/01/1066169301.db2.gz ZYTCPVZYWVRJAZ-LEWJYISDSA-N 1 2 478.081 4.891 20 0 JJADLO Cc1cc(C)cc(OCc2nnc(N(C)CC3CCCCC3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)c1 ZINC001361022309 1066217483 /nfs/dbraw/zinc/21/74/83/1066217483.db2.gz MMWOYBFXKQIXOZ-UHFFFAOYSA-N 1 2 482.717 4.516 20 0 JJADLO Cc1cc(C)cc(OCc2nnc(N(C)CC3CCCCC3)n2CC[N@H+]2CCN(C)C(C)(C)C2)c1 ZINC001361022309 1066217491 /nfs/dbraw/zinc/21/74/91/1066217491.db2.gz MMWOYBFXKQIXOZ-UHFFFAOYSA-N 1 2 482.717 4.516 20 0 JJADLO O=C(NCCCCNc1cccc[nH+]1)[C@H](Oc1ccccc1Br)c1ccccc1 ZINC001443404964 1066306214 /nfs/dbraw/zinc/30/62/14/1066306214.db2.gz GAQDBIVIGAMHBF-JOCHJYFZSA-N 1 2 454.368 4.973 20 0 JJADLO CN(C)C(=O)Nc1cccc(C(=O)N(CCCn2cc[nH+]c2)Cc2c(F)cccc2Cl)c1 ZINC001443633141 1066340992 /nfs/dbraw/zinc/34/09/92/1066340992.db2.gz MGTZTDPNDMKDHO-UHFFFAOYSA-N 1 2 457.937 4.502 20 0 JJADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)Cc2cc(Cl)cc3c2OCC3)cc1 ZINC001443680941 1066348966 /nfs/dbraw/zinc/34/89/66/1066348966.db2.gz YGKNPMHLIRWOHF-UHFFFAOYSA-N 1 2 453.970 4.532 20 0 JJADLO Cc1cc(N2CCN(c3nnc(-c4ccccc4Cl)n3CCOC(C)C)CC2)nc(C(C)C)[nH+]1 ZINC001361105314 1066354241 /nfs/dbraw/zinc/35/42/41/1066354241.db2.gz DTWYHVTZIMWZMN-UHFFFAOYSA-N 1 2 484.048 4.572 20 0 JJADLO Cc1cc(N2CCN(c3nnc([C@@H]4CCO[C@H]4C(C)(C)C)n3CCC(C)C)CC2)nc(C(C)C)[nH+]1 ZINC001361105366 1066354375 /nfs/dbraw/zinc/35/43/75/1066354375.db2.gz HOWGJYAHBZDTPG-FYYLOGMGSA-N 1 2 483.705 4.791 20 0 JJADLO Cc1cc(N2CCN(c3nnc(-c4ccc(Cl)nc4)n3CCC(C)C)CC2)nc(C(C)C)[nH+]1 ZINC001361105562 1066354862 /nfs/dbraw/zinc/35/48/62/1066354862.db2.gz OOCXEPSDMKCKAD-UHFFFAOYSA-N 1 2 469.037 4.588 20 0 JJADLO CC[C@@]1(C)CCN(c2nnc(-c3ccccc3Br)n2Cc2c[nH+]ccc2OC)C1 ZINC001546067847 1066355356 /nfs/dbraw/zinc/35/53/56/1066355356.db2.gz CQRGUPDGZPMWMG-QFIPXVFZSA-N 1 2 456.388 4.786 20 0 JJADLO CC(C)(C)OC(=O)NC[C@@]1(C(C)(C)C)CCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC001455103613 1066361589 /nfs/dbraw/zinc/36/15/89/1066361589.db2.gz VKKZPFCYJLPRNL-IBVKSMDESA-N 1 2 454.615 4.721 20 0 JJADLO Cc1c(Br)c2ccccc2n1CC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC001443764275 1066363958 /nfs/dbraw/zinc/36/39/58/1066363958.db2.gz UWPSNIMRUCKVFN-YFHOEESVSA-N 1 2 452.396 4.570 20 0 JJADLO Cc1ccc(C(C)C)c(OCc2nnc(N(C)CCC(F)(F)F)n2CC2([NH+]3CCOCC3)CC2)c1 ZINC001361123456 1066373423 /nfs/dbraw/zinc/37/34/23/1066373423.db2.gz BMGNBCRUZAMHFF-UHFFFAOYSA-N 1 2 495.590 4.542 20 0 JJADLO Cc1nc(NCc2cccc(C(=O)NCc3cc4cc(Br)ccc4o3)c2)cc[nH+]1 ZINC001455288189 1066380898 /nfs/dbraw/zinc/38/08/98/1066380898.db2.gz GVLUIMAJNJFRHA-UHFFFAOYSA-N 1 2 451.324 4.836 20 0 JJADLO O=C(N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 ZINC001443896467 1066382563 /nfs/dbraw/zinc/38/25/63/1066382563.db2.gz SWDFJBCUUZNYCI-YZGWKJHDSA-N 1 2 452.904 4.965 20 0 JJADLO O=C(N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 ZINC001443896467 1066382580 /nfs/dbraw/zinc/38/25/80/1066382580.db2.gz SWDFJBCUUZNYCI-YZGWKJHDSA-N 1 2 452.904 4.965 20 0 JJADLO CC[C@@H](C(=O)N(C)[C@H](c1ccccc1)c1ccccc1Br)[N@@H+]1CCO[C@H](CC)C1 ZINC001455454232 1066392205 /nfs/dbraw/zinc/39/22/05/1066392205.db2.gz PABUPEVSNWRZPP-WTIAFYNJSA-N 1 2 459.428 4.886 20 0 JJADLO CC[C@@H](C(=O)N(C)[C@H](c1ccccc1)c1ccccc1Br)[N@H+]1CCO[C@H](CC)C1 ZINC001455454232 1066392218 /nfs/dbraw/zinc/39/22/18/1066392218.db2.gz PABUPEVSNWRZPP-WTIAFYNJSA-N 1 2 459.428 4.886 20 0 JJADLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@H](CC(C)C)NC(=O)c2ccccc2C)CC1 ZINC001455460473 1066393282 /nfs/dbraw/zinc/39/32/82/1066393282.db2.gz BTYZANJYMRXSEG-LOSJGSFVSA-N 1 2 453.602 4.574 20 0 JJADLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@@H](CC(C)C)NC(=O)c2ccccc2C)CC1 ZINC001455460479 1066393493 /nfs/dbraw/zinc/39/34/93/1066393493.db2.gz BTYZANJYMRXSEG-RPBOFIJWSA-N 1 2 453.602 4.574 20 0 JJADLO Cc1ccc([C@H](Cn2c(C(C)C)nnc2N2CCC(C(F)(F)F)CC2)[NH+]2CCOCC2)cc1 ZINC001361134963 1066407757 /nfs/dbraw/zinc/40/77/57/1066407757.db2.gz IRIGRHURTLNHDN-NRFANRHFSA-N 1 2 465.564 4.562 20 0 JJADLO CC[N@H+](CC(=O)N[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1)Cc1ccccc1Cl ZINC001444164613 1066423365 /nfs/dbraw/zinc/42/33/65/1066423365.db2.gz ATRFSZHMJCCBQU-SFHVURJKSA-N 1 2 450.970 4.687 20 0 JJADLO CC[N@@H+](CC(=O)N[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1)Cc1ccccc1Cl ZINC001444164613 1066423373 /nfs/dbraw/zinc/42/33/73/1066423373.db2.gz ATRFSZHMJCCBQU-SFHVURJKSA-N 1 2 450.970 4.687 20 0 JJADLO Cc1[nH]c(C2CCN(C(=O)c3ccsc3NC(=O)c3ccc(Cl)cc3O)CC2)[nH+]c1C ZINC001455866728 1066442692 /nfs/dbraw/zinc/44/26/92/1066442692.db2.gz PCJNLKUJXPCTMT-UHFFFAOYSA-N 1 2 458.971 4.719 20 0 JJADLO CCc1ccc(C[NH+]2CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)c3ccccc3C)CC2)s1 ZINC001444342281 1066451726 /nfs/dbraw/zinc/45/17/26/1066451726.db2.gz DDSOJPUHCQLPPJ-JOCHJYFZSA-N 1 2 457.640 4.529 20 0 JJADLO Cc1ccc(C)c(OCc2nnc(N3CCN(c4cccc[nH+]4)CC3)n2CC(C)(C)C(C)C)c1 ZINC001361159811 1066465200 /nfs/dbraw/zinc/46/52/00/1066465200.db2.gz LAQNPMCIYQNQKT-UHFFFAOYSA-N 1 2 462.642 4.878 20 0 JJADLO CCCN(C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC001444509018 1066470166 /nfs/dbraw/zinc/47/01/66/1066470166.db2.gz PXFJLQXROMVVFY-MGPUTAFESA-N 1 2 453.414 4.790 20 0 JJADLO CCCN(C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC001444509018 1066470172 /nfs/dbraw/zinc/47/01/72/1066470172.db2.gz PXFJLQXROMVVFY-MGPUTAFESA-N 1 2 453.414 4.790 20 0 JJADLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@H](OCC1CCCC1)c1ccccc1 ZINC001361172756 1066490066 /nfs/dbraw/zinc/49/00/66/1066490066.db2.gz JGYIYTHDQWXZTL-WNCULLNHSA-N 1 2 450.623 4.684 20 0 JJADLO CC[C@@]1(C)CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCNc2cccc[nH+]2)C1 ZINC001546079334 1066508168 /nfs/dbraw/zinc/50/81/68/1066508168.db2.gz KHANQXYHUCORCG-FNZWTVRRSA-N 1 2 483.661 4.874 20 0 JJADLO COc1ccc2c(c1)c(C(=O)N1CCC([N@H+](C)CC(F)F)CC1)c(C)n2Cc1ccccc1 ZINC001444839882 1066510892 /nfs/dbraw/zinc/51/08/92/1066510892.db2.gz RZTXNGQASNXMLG-UHFFFAOYSA-N 1 2 455.549 4.808 20 0 JJADLO COc1ccc2c(c1)c(C(=O)N1CCC([N@@H+](C)CC(F)F)CC1)c(C)n2Cc1ccccc1 ZINC001444839882 1066510899 /nfs/dbraw/zinc/51/08/99/1066510899.db2.gz RZTXNGQASNXMLG-UHFFFAOYSA-N 1 2 455.549 4.808 20 0 JJADLO COc1cc(C(=O)Nc2cccc3[nH+]ccn32)ccc1OCc1ccc(Br)cc1 ZINC001456357876 1066569349 /nfs/dbraw/zinc/56/93/49/1066569349.db2.gz HCNHLFCRJULKFF-UHFFFAOYSA-N 1 2 452.308 4.937 20 0 JJADLO C[NH+](C)[C@@H](C(=O)Nc1nnc(-c2cccc(Br)c2)s1)c1ccc(Cl)cc1 ZINC001456407286 1066579939 /nfs/dbraw/zinc/57/99/39/1066579939.db2.gz DDKNUVXKPTYACS-OAHLLOKOSA-N 1 2 451.777 4.862 20 0 JJADLO O=C(CS[C@H](c1ccccc1)c1ccc(Cl)cc1)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001445526748 1066582537 /nfs/dbraw/zinc/58/25/37/1066582537.db2.gz MRRODZSMOKQDHJ-SONWIMMPSA-N 1 2 459.055 4.922 20 0 JJADLO O=C(Cc1ccc(-n2cc[nH+]c2)cc1)Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1 ZINC001445531377 1066583756 /nfs/dbraw/zinc/58/37/56/1066583756.db2.gz JTXKIQDSBYRKDI-UHFFFAOYSA-N 1 2 456.731 4.860 20 0 JJADLO Cc1ccc(CN(C)c2nnc([C@H](C)Oc3ccccc3F)n2Cc2ccc(N(C)C)[nH+]c2)o1 ZINC001361248780 1066592295 /nfs/dbraw/zinc/59/22/95/1066592295.db2.gz QXZXDGWVPJNROM-SFHVURJKSA-N 1 2 464.545 4.604 20 0 JJADLO Cc1ccc(CN(C)c2nnc(-c3ccc(Br)cc3)n2Cc2ccc(N(C)C)[nH+]c2)o1 ZINC001361249823 1066594485 /nfs/dbraw/zinc/59/44/85/1066594485.db2.gz GWGWLFVAVNDWRW-UHFFFAOYSA-N 1 2 481.398 4.755 20 0 JJADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)CCc2cc(C(F)(F)F)ccc2Br)C1 ZINC001445630481 1066595819 /nfs/dbraw/zinc/59/58/19/1066595819.db2.gz PYHWVDRTEUTWTI-CQSZACIVSA-N 1 2 458.322 4.615 20 0 JJADLO Cc1ccc(CN(C)c2nnc([C@H]3CCCCO3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)o1 ZINC001361255345 1066602889 /nfs/dbraw/zinc/60/28/89/1066602889.db2.gz VPHWCRCYILKUEZ-NHCUHLMSSA-N 1 2 459.541 4.639 20 0 JJADLO Cc1ccc(CN(C)c2nnc([C@H]3CCCCO3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)o1 ZINC001361255344 1066602939 /nfs/dbraw/zinc/60/29/39/1066602939.db2.gz VPHWCRCYILKUEZ-LEWJYISDSA-N 1 2 459.541 4.639 20 0 JJADLO CCN(C(=O)c1ccc(-c2csnn2)cc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001456683487 1066665839 /nfs/dbraw/zinc/66/58/39/1066665839.db2.gz CZGWADAMQDZSBP-UHFFFAOYSA-N 1 2 450.612 4.558 20 0 JJADLO O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC001446288458 1066686041 /nfs/dbraw/zinc/68/60/41/1066686041.db2.gz NHCXUZBIFQLUIV-RUZDIDTESA-N 1 2 456.590 4.640 20 0 JJADLO Cc1cn2c([nH+]1)[C@H](Cn1c(-c3ccc(Cl)cc3Cl)nnc1N(C)CCCCCO)CCC2 ZINC001492628670 1066700028 /nfs/dbraw/zinc/70/00/28/1066700028.db2.gz KBZSLXRPBMTPEW-KRWDZBQOSA-N 1 2 477.440 4.933 20 0 JJADLO O=C(C[C@H](O)c1cccc(F)c1)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC001446524917 1066715240 /nfs/dbraw/zinc/71/52/40/1066715240.db2.gz ACUALAZNIKNWPL-AHWVRZQESA-N 1 2 452.957 4.836 20 0 JJADLO CCOc1ccc(C(C)(C)C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)cc1OCC ZINC001456911830 1066719558 /nfs/dbraw/zinc/71/95/58/1066719558.db2.gz CPVNISVEPZJHCC-UHFFFAOYSA-N 1 2 453.627 4.613 20 0 JJADLO Cc1nc(NCc2cccc(C(=O)Nc3ccc(=O)n(Cc4cccc(Cl)c4)c3)c2)cc[nH+]1 ZINC001456993161 1066738044 /nfs/dbraw/zinc/73/80/44/1066738044.db2.gz UHALYYXHOKATBV-UHFFFAOYSA-N 1 2 459.937 4.513 20 0 JJADLO Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)N3CC[N@@H+](C)[C@H](C)[C@H]3C)cc12 ZINC001446963414 1066759150 /nfs/dbraw/zinc/75/91/50/1066759150.db2.gz FDEUFMZJPWXRBY-ZIAGYGMSSA-N 1 2 451.423 4.926 20 0 JJADLO Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)N3CC[N@H+](C)[C@H](C)[C@H]3C)cc12 ZINC001446963414 1066759164 /nfs/dbraw/zinc/75/91/64/1066759164.db2.gz FDEUFMZJPWXRBY-ZIAGYGMSSA-N 1 2 451.423 4.926 20 0 JJADLO CC(C)(C)OC(=O)N1CCC[C@@]2(CCCCN2C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC001457204411 1066789002 /nfs/dbraw/zinc/78/90/02/1066789002.db2.gz WKAXHVKBQSBJHK-LVXARBLLSA-N 1 2 452.599 4.714 20 0 JJADLO O=C(Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001447321764 1066792024 /nfs/dbraw/zinc/79/20/24/1066792024.db2.gz VBEPPGUIRHIBMI-HDICACEKSA-N 1 2 459.472 4.834 20 0 JJADLO Cc1nc(N[C@@H]2COCC[C@@H]2NC(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)s2)cc[nH+]1 ZINC001457222867 1066793615 /nfs/dbraw/zinc/79/36/15/1066793615.db2.gz BEPUFLJSFLPELI-DLBZAZTESA-N 1 2 463.390 4.820 20 0 JJADLO O=C(CN(Cc1ccccc1)c1ccccc1)NCCc1cn(Cc2ccc(Cl)cc2)c[nH+]1 ZINC001457265789 1066799561 /nfs/dbraw/zinc/79/95/61/1066799561.db2.gz ILADHTUDINHBCP-UHFFFAOYSA-N 1 2 458.993 4.950 20 0 JJADLO Cc1ncc(C[NH+]2CCN(c3nnc(C(C)(C)C)n3CC(C)(C)c3cccs3)CC2)s1 ZINC001492701848 1066859126 /nfs/dbraw/zinc/85/91/26/1066859126.db2.gz JFTPBVRVLGQTHV-UHFFFAOYSA-N 1 2 458.701 4.702 20 0 JJADLO Cc1ncc(C[NH+]2CCN(c3nnc(CC(C)(C)C)n3C[C@@H](C)c3ccccc3)CC2)s1 ZINC001492701906 1066859307 /nfs/dbraw/zinc/85/93/07/1066859307.db2.gz KQWRRLQBQVICJG-LJQANCHMSA-N 1 2 452.672 4.758 20 0 JJADLO C[NH+]1CCN(c2ccc(NC(=O)c3cc4cc(Cl)sc4[nH]3)cc2Br)CC1 ZINC001447803127 1066862774 /nfs/dbraw/zinc/86/27/74/1066862774.db2.gz PPPQNZSXNMDROC-UHFFFAOYSA-N 1 2 453.793 4.649 20 0 JJADLO Cc1cccc(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1NC(=O)c1ccccc1F ZINC001457768137 1066914781 /nfs/dbraw/zinc/91/47/81/1066914781.db2.gz IECHSHZGVWOMNS-SFHVURJKSA-N 1 2 451.567 4.967 20 0 JJADLO O=C(Cc1c(F)ccc(Br)c1F)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC001448500590 1066933672 /nfs/dbraw/zinc/93/36/72/1066933672.db2.gz DXUBLENHVLTNES-CYBMUJFWSA-N 1 2 452.343 4.714 20 0 JJADLO O=C(Cc1c(F)ccc(Br)c1F)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC001448500590 1066933679 /nfs/dbraw/zinc/93/36/79/1066933679.db2.gz DXUBLENHVLTNES-CYBMUJFWSA-N 1 2 452.343 4.714 20 0 JJADLO Cc1nnc(CCCn2c(CC(C)(C)C)nnc2N2CC[NH+](Cc3cccc(Cl)c3)CC2)s1 ZINC001492766693 1066939271 /nfs/dbraw/zinc/93/92/71/1066939271.db2.gz UMGDKSBMNDKSIK-UHFFFAOYSA-N 1 2 488.105 4.635 20 0 JJADLO Cc1nnc(N(C)CCc2ccc(Br)cc2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001492785863 1066948957 /nfs/dbraw/zinc/94/89/57/1066948957.db2.gz XWWJUXSGJPRTPT-UHFFFAOYSA-N 1 2 483.458 4.852 20 0 JJADLO COc1ccc(-c2ncc(C(=O)N3C[C@H](C)[N@H+](Cc4ccccc4)C[C@@H]3C)s2)cc1OC ZINC001457997873 1066954719 /nfs/dbraw/zinc/95/47/19/1066954719.db2.gz IKECOIVDRKCNLK-ROUUACIJSA-N 1 2 451.592 4.562 20 0 JJADLO COc1ccc(-c2ncc(C(=O)N3C[C@H](C)[N@@H+](Cc4ccccc4)C[C@@H]3C)s2)cc1OC ZINC001457997873 1066954732 /nfs/dbraw/zinc/95/47/32/1066954732.db2.gz IKECOIVDRKCNLK-ROUUACIJSA-N 1 2 451.592 4.562 20 0 JJADLO CC(C)Cc1ncnc(NC[C@H](c2ccco2)[NH+]2CCCCC2)c1I ZINC001458052974 1066961765 /nfs/dbraw/zinc/96/17/65/1066961765.db2.gz FSPXVGUVESCWTA-MRXNPFEDSA-N 1 2 454.356 4.512 20 0 JJADLO COc1cc(C(F)(F)F)nc(Sc2nnc([C@@H](C)[NH+](C)C)n2-c2ccc(Cl)cc2)n1 ZINC001458079488 1066969312 /nfs/dbraw/zinc/96/93/12/1066969312.db2.gz RXVOLPAAVWIZET-SNVBAGLBSA-N 1 2 458.897 4.512 20 0 JJADLO COc1cc(CC(=O)N2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)ccc1O ZINC001546011751 1066985391 /nfs/dbraw/zinc/98/53/91/1066985391.db2.gz RATRAVJPNAYCSF-AREMUKBSSA-N 1 2 450.966 4.531 20 0 JJADLO CC[C@@H](c1nnc(N(CC(C)C)C2CCCC2)n1CC[N@@H+]1CCOC[C@H]1C)c1ccccc1 ZINC001545728556 1066985960 /nfs/dbraw/zinc/98/59/60/1066985960.db2.gz NKWBYEOUHRHWJG-RCZVLFRGSA-N 1 2 453.675 4.946 20 0 JJADLO CC[C@@H](c1nnc(N(CC(C)C)C2CCCC2)n1CC[N@H+]1CCOC[C@H]1C)c1ccccc1 ZINC001545728556 1066985974 /nfs/dbraw/zinc/98/59/74/1066985974.db2.gz NKWBYEOUHRHWJG-RCZVLFRGSA-N 1 2 453.675 4.946 20 0 JJADLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C(=O)OC(C)(C)C)cc1 ZINC001458154601 1066990194 /nfs/dbraw/zinc/99/01/94/1066990194.db2.gz OMEMKPQZPKMLRW-DVECYGJZSA-N 1 2 451.611 4.718 20 0 JJADLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C(=O)OC(C)(C)C)cc1 ZINC001458154601 1066990205 /nfs/dbraw/zinc/99/02/05/1066990205.db2.gz OMEMKPQZPKMLRW-DVECYGJZSA-N 1 2 451.611 4.718 20 0 JJADLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cnc(OCC(C)C)c(Cl)c1 ZINC001458155723 1066990778 /nfs/dbraw/zinc/99/07/78/1066990778.db2.gz RDLBXPOKSHERPT-WZONZLPQSA-N 1 2 459.034 4.846 20 0 JJADLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cnc(OCC(C)C)c(Cl)c1 ZINC001458155723 1066990788 /nfs/dbraw/zinc/99/07/88/1066990788.db2.gz RDLBXPOKSHERPT-WZONZLPQSA-N 1 2 459.034 4.846 20 0 JJADLO CC1(C)C[C@H](C(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)c2ccccc2O1 ZINC001449311632 1066998464 /nfs/dbraw/zinc/99/84/64/1066998464.db2.gz FPDBDULZOMGYPK-SFHVURJKSA-N 1 2 458.356 4.612 20 0 JJADLO CC[C@@H](c1nnc(N2CC[C@@H](C)[C@@H](OC)C2)n1Cc1ccc(N(CC)CC)[nH+]c1)c1ccccc1 ZINC001545736659 1067000714 /nfs/dbraw/zinc/00/07/14/1067000714.db2.gz UAFRMYMRIPMADY-SDUSCBPUSA-N 1 2 476.669 4.971 20 0 JJADLO O=C(c1cccc(N2CCCC2)c1)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC001449377266 1067005329 /nfs/dbraw/zinc/00/53/29/1067005329.db2.gz VQKYBDOSKPAQCR-UHFFFAOYSA-N 1 2 453.384 4.588 20 0 JJADLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1cccc(CSc2cc(Cl)cc(Cl)c2)c1 ZINC001449687947 1067020403 /nfs/dbraw/zinc/02/04/03/1067020403.db2.gz UNTNPMJNCHLSGK-BGYRXZFFSA-N 1 2 451.419 4.879 20 0 JJADLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1cccc(CSc2cc(Cl)cc(Cl)c2)c1 ZINC001449687947 1067020416 /nfs/dbraw/zinc/02/04/16/1067020416.db2.gz UNTNPMJNCHLSGK-BGYRXZFFSA-N 1 2 451.419 4.879 20 0 JJADLO CC[C@H](c1nnc(N2CC[NH+](Cc3cnc(C)s3)CC2)n1CCOC(C)(C)C)c1ccccc1 ZINC001545759585 1067043204 /nfs/dbraw/zinc/04/32/04/1067043204.db2.gz ZZDASXDXBAQMKS-QHCPKHFHSA-N 1 2 482.698 4.722 20 0 JJADLO COc1ccc(C[C@@H](C)CN(C)C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)cc1 ZINC001458457751 1067067763 /nfs/dbraw/zinc/06/77/63/1067067763.db2.gz QEGVMHUYTIJSBP-JPYJTQIMSA-N 1 2 459.428 4.932 20 0 JJADLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)c2ccc(Br)c(Cl)c2)c2ccc(Cl)cc2)C1 ZINC001458457557 1067068007 /nfs/dbraw/zinc/06/80/07/1067068007.db2.gz WLWOTACSMLGOEF-MSOLQXFVSA-N 1 2 458.183 4.558 20 0 JJADLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)c2ccc(Br)c(Cl)c2)c2ccc(Cl)cc2)C1 ZINC001458457557 1067068014 /nfs/dbraw/zinc/06/80/14/1067068014.db2.gz WLWOTACSMLGOEF-MSOLQXFVSA-N 1 2 458.183 4.558 20 0 JJADLO CCC(CC)(Cn1c(-c2ccccc2C)nnc1N1CC[C@@H]([NH+]2CCN(C(C)C)CC2)C1)SC ZINC001545775952 1067069968 /nfs/dbraw/zinc/06/99/68/1067069968.db2.gz QGJPFWRMTRMOTR-HSZRJFAPSA-N 1 2 484.758 4.780 20 0 JJADLO CCC(CC)(Cn1c(CC(C)(C)C)nnc1N1CC[NH+](Cc2cc(F)ccc2OC)CC1)OC ZINC001545788212 1067084185 /nfs/dbraw/zinc/08/41/85/1067084185.db2.gz MSQNQPRCSLLUPI-UHFFFAOYSA-N 1 2 475.653 4.542 20 0 JJADLO Cc1cc(C)nc(Nc2ccc(O)c(C(=O)N3CC[NH+](Cc4ccc(C(C)C)cc4)CC3)c2)n1 ZINC001450524430 1067086099 /nfs/dbraw/zinc/08/60/99/1067086099.db2.gz NLPABKGHHLFNJO-UHFFFAOYSA-N 1 2 459.594 4.624 20 0 JJADLO CC(C)(C)OC(=O)N1CC[NH+](Cc2ccc(CNc3nc(C4CCCC4)ns3)cc2)CC1 ZINC001458574535 1067090003 /nfs/dbraw/zinc/09/00/03/1067090003.db2.gz AEOFIXUCYXDCAX-UHFFFAOYSA-N 1 2 457.644 4.861 20 0 JJADLO CCC(CC)(Cn1c(COc2ccc(F)cc2)nnc1N1CCN(c2cccc[nH+]2)CC1)SC ZINC001545794918 1067094321 /nfs/dbraw/zinc/09/43/21/1067094321.db2.gz RTLFMYYVUYIXDS-UHFFFAOYSA-N 1 2 484.645 4.640 20 0 JJADLO C[C@H](c1nnc(SCC[C@@H]2Sc3ccccc3NC2=O)n1-c1ccc(F)cc1)[NH+](C)C ZINC001458733792 1067124893 /nfs/dbraw/zinc/12/48/93/1067124893.db2.gz LDXXQGZZVQOAIC-KUHUBIRLSA-N 1 2 457.600 4.624 20 0 JJADLO CC(C)c1ccccc1-n1c(=O)c2ccc(Cl)cc2nc1SCC[N@@H+]1CCOC[C@H]1C ZINC001458742123 1067128854 /nfs/dbraw/zinc/12/88/54/1067128854.db2.gz HBSXZQZCDYOAKE-QGZVFWFLSA-N 1 2 458.027 4.975 20 0 JJADLO CC(C)c1ccccc1-n1c(=O)c2ccc(Cl)cc2nc1SCC[N@H+]1CCOC[C@H]1C ZINC001458742123 1067128861 /nfs/dbraw/zinc/12/88/61/1067128861.db2.gz HBSXZQZCDYOAKE-QGZVFWFLSA-N 1 2 458.027 4.975 20 0 JJADLO CCC1(CC)CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001546103811 1067147974 /nfs/dbraw/zinc/14/79/74/1067147974.db2.gz XQAQHWFLYZUUBG-UXHICEINSA-N 1 2 476.065 4.809 20 0 JJADLO CCC1(CC)CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001546103811 1067147980 /nfs/dbraw/zinc/14/79/80/1067147980.db2.gz XQAQHWFLYZUUBG-UXHICEINSA-N 1 2 476.065 4.809 20 0 JJADLO Cc1cc(Br)cn2cc(CCNC(=O)c3cccc(Oc4ccccn4)c3)[nH+]c12 ZINC001458811704 1067151897 /nfs/dbraw/zinc/15/18/97/1067151897.db2.gz KBHNLKWTWGGIQB-UHFFFAOYSA-N 1 2 451.324 4.565 20 0 JJADLO Cc1cc(Br)cn2cc(CCNC(=O)CO[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)[nH+]c12 ZINC001458817023 1067153650 /nfs/dbraw/zinc/15/36/50/1067153650.db2.gz UIIYNFNAKMTCPA-CDHQVMDDSA-N 1 2 450.421 4.541 20 0 JJADLO C[C@H](c1nnc(SCC(=O)Nc2ccc(Cl)nc2)n1-c1ccccc1)[NH+]1CCCCC1 ZINC001458847454 1067171182 /nfs/dbraw/zinc/17/11/82/1067171182.db2.gz SJAJIEBWJSHRGR-MRXNPFEDSA-N 1 2 457.003 4.593 20 0 JJADLO CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(F)c(Cl)c2)n1CCc1cn2ccccc2[nH+]1 ZINC001545835410 1067187652 /nfs/dbraw/zinc/18/76/52/1067187652.db2.gz WZOQKWIAUJDJAT-UHFFFAOYSA-N 1 2 498.006 4.516 20 0 JJADLO COC(=O)c1cc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)ccc1N1CCCCC1 ZINC001451734095 1067189594 /nfs/dbraw/zinc/18/95/94/1067189594.db2.gz CPNIYNGXYMLXNP-XMMPIXPASA-N 1 2 453.558 4.596 20 0 JJADLO COC(=O)c1cc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)ccc1N1CCCCC1 ZINC001451734095 1067189602 /nfs/dbraw/zinc/18/96/02/1067189602.db2.gz CPNIYNGXYMLXNP-XMMPIXPASA-N 1 2 453.558 4.596 20 0 JJADLO Cc1c(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)cnn1-c1cccc(Br)c1 ZINC001459295270 1067284348 /nfs/dbraw/zinc/28/43/48/1067284348.db2.gz CUNNZMAJLOBLOX-OAHLLOKOSA-N 1 2 459.413 4.524 20 0 JJADLO CCOC(=O)c1sc2nc(C[N@H+](C)[C@H](C)c3cccc(C(F)(F)F)c3)nc(N)c2c1C ZINC001459376160 1067307222 /nfs/dbraw/zinc/30/72/22/1067307222.db2.gz IDDKHLJIGBZJLD-GFCCVEGCSA-N 1 2 452.502 4.970 20 0 JJADLO CCOC(=O)c1sc2nc(C[N@@H+](C)[C@H](C)c3cccc(C(F)(F)F)c3)nc(N)c2c1C ZINC001459376160 1067307232 /nfs/dbraw/zinc/30/72/32/1067307232.db2.gz IDDKHLJIGBZJLD-GFCCVEGCSA-N 1 2 452.502 4.970 20 0 JJADLO Cc1cc(C[N@H+]2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c(C)cc1I ZINC001459402031 1067314157 /nfs/dbraw/zinc/31/41/57/1067314157.db2.gz BVVNSUOPTDZOFI-QGZVFWFLSA-N 1 2 458.384 4.739 20 0 JJADLO Cc1cc(C[N@@H+]2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c(C)cc1I ZINC001459402031 1067314170 /nfs/dbraw/zinc/31/41/70/1067314170.db2.gz BVVNSUOPTDZOFI-QGZVFWFLSA-N 1 2 458.384 4.739 20 0 JJADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2ccc(NC(=O)CC(C)C)c(C)c2)[C@@H](C)C1 ZINC001459418250 1067319464 /nfs/dbraw/zinc/31/94/64/1067319464.db2.gz YKTKFTVWFZCCOH-NRFANRHFSA-N 1 2 451.611 4.725 20 0 JJADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2ccc(NC(=O)CC(C)C)c(C)c2)[C@@H](C)C1 ZINC001459418250 1067319474 /nfs/dbraw/zinc/31/94/74/1067319474.db2.gz YKTKFTVWFZCCOH-NRFANRHFSA-N 1 2 451.611 4.725 20 0 JJADLO COC(=O)c1ccc(F)c(C[N@H+](CCO)Cc2cccc(OCc3ccccc3Cl)c2)c1 ZINC001459438952 1067325275 /nfs/dbraw/zinc/32/52/75/1067325275.db2.gz LKKIXTQDUWQZKG-UHFFFAOYSA-N 1 2 457.929 4.839 20 0 JJADLO COC(=O)c1ccc(F)c(C[N@@H+](CCO)Cc2cccc(OCc3ccccc3Cl)c2)c1 ZINC001459438952 1067325290 /nfs/dbraw/zinc/32/52/90/1067325290.db2.gz LKKIXTQDUWQZKG-UHFFFAOYSA-N 1 2 457.929 4.839 20 0 JJADLO CC[N@H+](CC(=O)N(C)[C@@H](c1ccccc1)c1ccc(F)cc1)Cc1ccc(OC)cc1OC ZINC001459455039 1067327494 /nfs/dbraw/zinc/32/74/94/1067327494.db2.gz OYOCKSJIQSJANG-MHZLTWQESA-N 1 2 450.554 4.913 20 0 JJADLO CC[N@@H+](CC(=O)N(C)[C@@H](c1ccccc1)c1ccc(F)cc1)Cc1ccc(OC)cc1OC ZINC001459455039 1067327509 /nfs/dbraw/zinc/32/75/09/1067327509.db2.gz OYOCKSJIQSJANG-MHZLTWQESA-N 1 2 450.554 4.913 20 0 JJADLO C[C@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC001459501146 1067339423 /nfs/dbraw/zinc/33/94/23/1067339423.db2.gz GUWOFVOBCNQMIH-MRXNPFEDSA-N 1 2 450.489 4.994 20 0 JJADLO C[C@H](C(=O)Nc1cccc(F)c1)[N@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC001459501146 1067339431 /nfs/dbraw/zinc/33/94/31/1067339431.db2.gz GUWOFVOBCNQMIH-MRXNPFEDSA-N 1 2 450.489 4.994 20 0 JJADLO COc1cccc(C[N@H+](Cc2nc(COc3cc(C)cc(C)c3)no2)C2CCC(O)CC2)c1 ZINC001459524536 1067344647 /nfs/dbraw/zinc/34/46/47/1067344647.db2.gz HSKBUEYHLHHIPD-UHFFFAOYSA-N 1 2 451.567 4.580 20 0 JJADLO COc1cccc(C[N@@H+](Cc2nc(COc3cc(C)cc(C)c3)no2)C2CCC(O)CC2)c1 ZINC001459524536 1067344660 /nfs/dbraw/zinc/34/46/60/1067344660.db2.gz HSKBUEYHLHHIPD-UHFFFAOYSA-N 1 2 451.567 4.580 20 0 JJADLO CCOC(=O)C1=C(C[N@@H+]2CC[C@H](C)C[C@H]2c2ccco2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001459563731 1067352196 /nfs/dbraw/zinc/35/21/96/1067352196.db2.gz NCEHQRXYVHYQGU-WQFQCULDSA-N 1 2 457.958 4.577 20 0 JJADLO CCOC(=O)C1=C(C[N@H+]2CC[C@H](C)C[C@H]2c2ccco2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001459563731 1067352206 /nfs/dbraw/zinc/35/22/06/1067352206.db2.gz NCEHQRXYVHYQGU-WQFQCULDSA-N 1 2 457.958 4.577 20 0 JJADLO CO[C@H](C[NH+]1CCN(C(=O)[C@H](C)Oc2ccc(C)cc2Cl)CC1)c1ccc(Cl)cc1 ZINC001459621793 1067366340 /nfs/dbraw/zinc/36/63/40/1067366340.db2.gz JSRAOVBSKDHAKB-HTAPYJJXSA-N 1 2 451.394 4.601 20 0 JJADLO C[N@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)Cc1cc2cc(Cl)ccc2nc1Cl ZINC001459622861 1067366875 /nfs/dbraw/zinc/36/68/75/1067366875.db2.gz SKARBJYEGRFCGG-UHFFFAOYSA-N 1 2 453.414 4.526 20 0 JJADLO C[N@@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)Cc1cc2cc(Cl)ccc2nc1Cl ZINC001459622861 1067366883 /nfs/dbraw/zinc/36/68/83/1067366883.db2.gz SKARBJYEGRFCGG-UHFFFAOYSA-N 1 2 453.414 4.526 20 0 JJADLO CCOc1ccc(NC(=O)c2ccc(NC(=O)C[N@H+](C)Cc3cc4ccccc4[nH]3)cc2)cc1 ZINC001459625867 1067367193 /nfs/dbraw/zinc/36/71/93/1067367193.db2.gz YQLLIZYDUJIJRZ-UHFFFAOYSA-N 1 2 456.546 4.889 20 0 JJADLO CCOc1ccc(NC(=O)c2ccc(NC(=O)C[N@@H+](C)Cc3cc4ccccc4[nH]3)cc2)cc1 ZINC001459625867 1067367201 /nfs/dbraw/zinc/36/72/01/1067367201.db2.gz YQLLIZYDUJIJRZ-UHFFFAOYSA-N 1 2 456.546 4.889 20 0 JJADLO O=C(NC[C@@H]1CCCC[N@H+]1CC[S@](=O)c1cc(Cl)ccc1Cl)Nc1ccccc1 ZINC001459689834 1067384469 /nfs/dbraw/zinc/38/44/69/1067384469.db2.gz CZOVHJGJOIADIT-YRVHBCJASA-N 1 2 454.423 4.777 20 0 JJADLO O=C(NC[C@@H]1CCCC[N@@H+]1CC[S@](=O)c1cc(Cl)ccc1Cl)Nc1ccccc1 ZINC001459689834 1067384477 /nfs/dbraw/zinc/38/44/77/1067384477.db2.gz CZOVHJGJOIADIT-YRVHBCJASA-N 1 2 454.423 4.777 20 0 JJADLO O=C(NC[C@H]1CCCN(c2ccccc2)C1)[C@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001459753982 1067407434 /nfs/dbraw/zinc/40/74/34/1067407434.db2.gz HMBNYZCVCRGHND-XXBNENTESA-N 1 2 456.428 4.619 20 0 JJADLO COc1cc(NC(=O)C[N@@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)c(OC)cc1Cl ZINC001459759630 1067410858 /nfs/dbraw/zinc/41/08/58/1067410858.db2.gz HSYONYPJQOALPB-ZDUSSCGKSA-N 1 2 459.757 4.756 20 0 JJADLO COc1cc(NC(=O)C[N@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)c(OC)cc1Cl ZINC001459759630 1067410862 /nfs/dbraw/zinc/41/08/62/1067410862.db2.gz HSYONYPJQOALPB-ZDUSSCGKSA-N 1 2 459.757 4.756 20 0 JJADLO CC(C)(C)OC(=O)c1ccccc1OCC[NH+]1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC001459821652 1067438802 /nfs/dbraw/zinc/43/88/02/1067438802.db2.gz QDLSARYJVYYQJG-UHFFFAOYSA-N 1 2 459.974 4.524 20 0 JJADLO CCOC(=O)C1C(C[NH2+][C@H](c2ccccc2C)C2CC2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001459833203 1067444881 /nfs/dbraw/zinc/44/48/81/1067444881.db2.gz JFGCIULODKPBAY-XZOQPEGZSA-N 1 2 453.970 4.560 20 0 JJADLO CC1(c2ccc(Cl)cc2)CCN(C(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)CC1 ZINC001459833826 1067445362 /nfs/dbraw/zinc/44/53/62/1067445362.db2.gz HDDRLVNHRNUIRD-UHFFFAOYSA-N 1 2 450.970 4.759 20 0 JJADLO C[S@@](=O)C[C@@H]([NH2+]Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)c1ccccc1 ZINC001459855778 1067459302 /nfs/dbraw/zinc/45/93/02/1067459302.db2.gz ZIXUCAWPWANRKZ-VPTFNQTCSA-N 1 2 458.008 4.927 20 0 JJADLO C[S@](=O)C[C@H]([NH2+]Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)c1ccccc1 ZINC001459855774 1067459308 /nfs/dbraw/zinc/45/93/08/1067459308.db2.gz ZIXUCAWPWANRKZ-PBYQXAPXSA-N 1 2 458.008 4.927 20 0 JJADLO CCN(CC)S(=O)(=O)c1ccc2[nH]c(C[NH2+][C@@H](C)c3cccc(Cl)c3Cl)nc2c1 ZINC001459868380 1067465283 /nfs/dbraw/zinc/46/52/83/1067465283.db2.gz IGRBQBMZFPCREY-ZDUSSCGKSA-N 1 2 455.411 4.751 20 0 JJADLO CCN(CC)S(=O)(=O)c1ccc2[nH]c(C[NH2+][C@H](C)c3cccc(Cl)c3Cl)nc2c1 ZINC001459868377 1067465298 /nfs/dbraw/zinc/46/52/98/1067465298.db2.gz IGRBQBMZFPCREY-CYBMUJFWSA-N 1 2 455.411 4.751 20 0 JJADLO Cc1cc(I)ccc1NC(=O)C[NH2+][C@H](C)c1nc(C(C)(C)C)cs1 ZINC001459899078 1067478694 /nfs/dbraw/zinc/47/86/94/1067478694.db2.gz BAOHBXZKPGOQEL-GFCCVEGCSA-N 1 2 457.381 4.643 20 0 JJADLO C[C@@H]([NH2+][C@H](C)c1ncc(-c2ccccc2)o1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC001459900921 1067479750 /nfs/dbraw/zinc/47/97/50/1067479750.db2.gz ZDQZDMMQBMNMEJ-QZTJIDSGSA-N 1 2 458.518 4.542 20 0 JJADLO O[C@H](COc1cc(Cl)cc(Cl)c1)C[N@@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001459928365 1067495481 /nfs/dbraw/zinc/49/54/81/1067495481.db2.gz BPRSPMHNQLPMPN-HKUYNNGSSA-N 1 2 450.284 4.825 20 0 JJADLO O[C@H](COc1cc(Cl)cc(Cl)c1)C[N@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001459928365 1067495486 /nfs/dbraw/zinc/49/54/86/1067495486.db2.gz BPRSPMHNQLPMPN-HKUYNNGSSA-N 1 2 450.284 4.825 20 0 JJADLO C[C@@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)CC[S@@](=O)C1 ZINC001459953682 1067505371 /nfs/dbraw/zinc/50/53/71/1067505371.db2.gz XLRGYCYFFHBVPI-JYRCXFKTSA-N 1 2 458.425 4.502 20 0 JJADLO C[C@@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)CC[S@@](=O)C1 ZINC001459953682 1067505378 /nfs/dbraw/zinc/50/53/78/1067505378.db2.gz XLRGYCYFFHBVPI-JYRCXFKTSA-N 1 2 458.425 4.502 20 0 JJADLO CCCCCCc1ccc(-c2csc(NC(=O)[C@@H](C)[N@@H+]3CC[C@H](n4cncn4)C3)n2)cc1 ZINC001459991171 1067518049 /nfs/dbraw/zinc/51/80/49/1067518049.db2.gz MPWHVEIFTNIBAW-NQIIRXRSSA-N 1 2 452.628 4.798 20 0 JJADLO CCCCCCc1ccc(-c2csc(NC(=O)[C@@H](C)[N@H+]3CC[C@H](n4cncn4)C3)n2)cc1 ZINC001459991171 1067518058 /nfs/dbraw/zinc/51/80/58/1067518058.db2.gz MPWHVEIFTNIBAW-NQIIRXRSSA-N 1 2 452.628 4.798 20 0 JJADLO C[C@@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)[NH+]1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC001460023380 1067532362 /nfs/dbraw/zinc/53/23/62/1067532362.db2.gz IFEPAFNJJFTHQJ-AWEZNQCLSA-N 1 2 458.411 4.599 20 0 JJADLO COC(=O)C[N@H+](CCCCCn1c(C)nc2ccccc21)Cc1cccc(Br)c1 ZINC001460053505 1067540154 /nfs/dbraw/zinc/54/01/54/1067540154.db2.gz YEWSXHGBJIOPRX-UHFFFAOYSA-N 1 2 458.400 4.953 20 0 JJADLO COC(=O)C[N@@H+](CCCCCn1c(C)nc2ccccc21)Cc1cccc(Br)c1 ZINC001460053505 1067540162 /nfs/dbraw/zinc/54/01/62/1067540162.db2.gz YEWSXHGBJIOPRX-UHFFFAOYSA-N 1 2 458.400 4.953 20 0 JJADLO O=C1[C@@H]([NH+]2CCC(O)(c3ccccc3C(F)(F)F)CC2)CCCN1c1ccccc1Cl ZINC001460059811 1067541894 /nfs/dbraw/zinc/54/18/94/1067541894.db2.gz NFRKDBDCMPIHCC-FQEVSTJZSA-N 1 2 452.904 4.838 20 0 JJADLO CCOC(=O)c1sc2[nH]c([C@H](C)[N@@H+]3CCC[C@H](c4ccc(CC)cc4)C3)nc(=O)c2c1C ZINC001460064493 1067543620 /nfs/dbraw/zinc/54/36/20/1067543620.db2.gz KCZKDLHTTGZQHN-LPHOPBHVSA-N 1 2 453.608 4.973 20 0 JJADLO CCOC(=O)c1sc2[nH]c([C@H](C)[N@H+]3CCC[C@H](c4ccc(CC)cc4)C3)nc(=O)c2c1C ZINC001460064493 1067543626 /nfs/dbraw/zinc/54/36/26/1067543626.db2.gz KCZKDLHTTGZQHN-LPHOPBHVSA-N 1 2 453.608 4.973 20 0 JJADLO CCCCOc1ccc(-c2nnc(C[N@@H+]3CCCC[C@@H]3COC(=O)N3CCCCC3)o2)cc1 ZINC001460066292 1067544038 /nfs/dbraw/zinc/54/40/38/1067544038.db2.gz GHWDLMVDXJMYSL-OAQYLSRUSA-N 1 2 456.587 4.893 20 0 JJADLO CCCCOc1ccc(-c2nnc(C[N@H+]3CCCC[C@@H]3COC(=O)N3CCCCC3)o2)cc1 ZINC001460066292 1067544046 /nfs/dbraw/zinc/54/40/46/1067544046.db2.gz GHWDLMVDXJMYSL-OAQYLSRUSA-N 1 2 456.587 4.893 20 0 JJADLO CCN(CC)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1coc(-c2ccc(Br)cc2)n1 ZINC001460070539 1067545517 /nfs/dbraw/zinc/54/55/17/1067545517.db2.gz QGHNMJJYMXCQRC-LJQANCHMSA-N 1 2 450.377 4.937 20 0 JJADLO CCN(CC)C(=O)OC[C@H]1CCCC[N@H+]1Cc1coc(-c2ccc(Br)cc2)n1 ZINC001460070539 1067545526 /nfs/dbraw/zinc/54/55/26/1067545526.db2.gz QGHNMJJYMXCQRC-LJQANCHMSA-N 1 2 450.377 4.937 20 0 JJADLO CCc1ccc(N2CC[NH+]([C@H](C)C(=O)Nc3cccc(Br)c3)CC2)cc1Cl ZINC001460090064 1067551765 /nfs/dbraw/zinc/55/17/65/1067551765.db2.gz OEUAGMVXBWBAGT-OAHLLOKOSA-N 1 2 450.808 4.814 20 0 JJADLO COC(=O)c1ccc(Br)c(C[N@@H+]2CCN(c3ccc(Cl)cc3)CC2(C)C)c1 ZINC001460171148 1067569581 /nfs/dbraw/zinc/56/95/81/1067569581.db2.gz KZIKBFPVMBRSNA-UHFFFAOYSA-N 1 2 451.792 4.990 20 0 JJADLO COC(=O)c1ccc(Br)c(C[N@H+]2CCN(c3ccc(Cl)cc3)CC2(C)C)c1 ZINC001460171148 1067569587 /nfs/dbraw/zinc/56/95/87/1067569587.db2.gz KZIKBFPVMBRSNA-UHFFFAOYSA-N 1 2 451.792 4.990 20 0 JJADLO O=C(C[NH+]1CCC(c2c(Cl)cccc2Cl)CC1)N1CCN(Cc2ccsc2)CC1 ZINC001460171619 1067569600 /nfs/dbraw/zinc/56/96/00/1067569600.db2.gz KHYZEHWYWVPJJZ-UHFFFAOYSA-N 1 2 452.451 4.579 20 0 JJADLO CC[C@@H](CO)[N@H+](C)CC(=O)Nc1sc2c(c1C(=O)c1ccc(C(C)(C)C)cc1)CCCC2 ZINC001460176903 1067571608 /nfs/dbraw/zinc/57/16/08/1067571608.db2.gz HDSZAEOBEZWJEY-IBGZPJMESA-N 1 2 456.652 4.797 20 0 JJADLO CC[C@@H](CO)[N@@H+](C)CC(=O)Nc1sc2c(c1C(=O)c1ccc(C(C)(C)C)cc1)CCCC2 ZINC001460176903 1067571614 /nfs/dbraw/zinc/57/16/14/1067571614.db2.gz HDSZAEOBEZWJEY-IBGZPJMESA-N 1 2 456.652 4.797 20 0 JJADLO CC(=O)N(c1nc(C[N@@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)cs1)c1ccc(F)cc1 ZINC001460177895 1067571944 /nfs/dbraw/zinc/57/19/44/1067571944.db2.gz BQPPQZWXPNXEFA-RUZDIDTESA-N 1 2 453.583 4.784 20 0 JJADLO CC(=O)N(c1nc(C[N@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)cs1)c1ccc(F)cc1 ZINC001460177895 1067571951 /nfs/dbraw/zinc/57/19/51/1067571951.db2.gz BQPPQZWXPNXEFA-RUZDIDTESA-N 1 2 453.583 4.784 20 0 JJADLO CC(=O)N(c1nc(C[N@@H+]2CCC[C@](CO)(Cc3ccccc3)C2)cs1)c1ccc(F)cc1 ZINC001460177897 1067571980 /nfs/dbraw/zinc/57/19/80/1067571980.db2.gz BQPPQZWXPNXEFA-VWLOTQADSA-N 1 2 453.583 4.784 20 0 JJADLO CC(=O)N(c1nc(C[N@H+]2CCC[C@](CO)(Cc3ccccc3)C2)cs1)c1ccc(F)cc1 ZINC001460177897 1067571987 /nfs/dbraw/zinc/57/19/87/1067571987.db2.gz BQPPQZWXPNXEFA-VWLOTQADSA-N 1 2 453.583 4.784 20 0 JJADLO C[N@@H+](CC(=O)Nc1ccccc1Cc1ccccc1)C[C@H](O)c1cccc(Br)c1 ZINC001460240111 1067588618 /nfs/dbraw/zinc/58/86/18/1067588618.db2.gz WQJYUNBYKKOCOK-QHCPKHFHSA-N 1 2 453.380 4.644 20 0 JJADLO C[N@H+](CC(=O)Nc1ccccc1Cc1ccccc1)C[C@H](O)c1cccc(Br)c1 ZINC001460240111 1067588632 /nfs/dbraw/zinc/58/86/32/1067588632.db2.gz WQJYUNBYKKOCOK-QHCPKHFHSA-N 1 2 453.380 4.644 20 0 JJADLO Cc1cc(C)c(-c2csc(NC(=O)C[N@H+]3CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C3)n2)cc1C ZINC001460293200 1067600478 /nfs/dbraw/zinc/60/04/78/1067600478.db2.gz FGMMZWHGQZVRHN-QRWLVFNGSA-N 1 2 457.640 4.974 20 0 JJADLO Cc1cc(C)c(-c2csc(NC(=O)C[N@@H+]3CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C3)n2)cc1C ZINC001460293200 1067600489 /nfs/dbraw/zinc/60/04/89/1067600489.db2.gz FGMMZWHGQZVRHN-QRWLVFNGSA-N 1 2 457.640 4.974 20 0 JJADLO CC(C)c1n[nH]c(CC2CC[NH+]([C@H](C)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)n1 ZINC001460332823 1067609919 /nfs/dbraw/zinc/60/99/19/1067609919.db2.gz LBYWNPLHYLOULZ-CYBMUJFWSA-N 1 2 457.928 4.882 20 0 JJADLO CC(C)c1nnc(CC2CC[NH+]([C@H](C)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)[nH]1 ZINC001460332823 1067609921 /nfs/dbraw/zinc/60/99/21/1067609921.db2.gz LBYWNPLHYLOULZ-CYBMUJFWSA-N 1 2 457.928 4.882 20 0 JJADLO CC(C)c1nc(CC2CC[NH+]([C@H](C)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)n[nH]1 ZINC001460332823 1067609922 /nfs/dbraw/zinc/60/99/22/1067609922.db2.gz LBYWNPLHYLOULZ-CYBMUJFWSA-N 1 2 457.928 4.882 20 0 JJADLO CC(C)(C)OC(=O)C[C@@H]1CCCC[N@@H+]1Cc1nc(Cc2cccc(Br)c2)no1 ZINC001460338376 1067611431 /nfs/dbraw/zinc/61/14/31/1067611431.db2.gz BDNGBCCAEROITD-KRWDZBQOSA-N 1 2 450.377 4.509 20 0 JJADLO CC(C)(C)OC(=O)C[C@@H]1CCCC[N@H+]1Cc1nc(Cc2cccc(Br)c2)no1 ZINC001460338376 1067611435 /nfs/dbraw/zinc/61/14/35/1067611435.db2.gz BDNGBCCAEROITD-KRWDZBQOSA-N 1 2 450.377 4.509 20 0 JJADLO CC[C@H](C)c1ccccc1N1C[C@H](C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC1=O ZINC001460344646 1067613490 /nfs/dbraw/zinc/61/34/90/1067613490.db2.gz QUSZLNFTHCMXHP-ZWKOTPCHSA-N 1 2 450.970 4.709 20 0 JJADLO CC(C)COc1cccc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)[C@@H](NC(=O)C(F)(F)F)C2)c1 ZINC001460396479 1067626489 /nfs/dbraw/zinc/62/64/89/1067626489.db2.gz ZIENGBVOMOKYKK-VXKWHMMOSA-N 1 2 452.492 4.897 20 0 JJADLO CC(C)COc1cccc(C[N@H+]2CC[C@@H](c3ccc(F)cc3)[C@@H](NC(=O)C(F)(F)F)C2)c1 ZINC001460396479 1067626494 /nfs/dbraw/zinc/62/64/94/1067626494.db2.gz ZIENGBVOMOKYKK-VXKWHMMOSA-N 1 2 452.492 4.897 20 0 JJADLO C[C@]12CC[N@H+](CC(=O)Nc3cccc4ccccc43)C[C@H]1C2(Br)Br ZINC001460415942 1067631296 /nfs/dbraw/zinc/63/12/96/1067631296.db2.gz KZKFCYQMQJHFCR-AEFFLSMTSA-N 1 2 452.190 4.606 20 0 JJADLO C[C@]12CC[N@@H+](CC(=O)Nc3cccc4ccccc43)C[C@H]1C2(Br)Br ZINC001460415942 1067631298 /nfs/dbraw/zinc/63/12/98/1067631298.db2.gz KZKFCYQMQJHFCR-AEFFLSMTSA-N 1 2 452.190 4.606 20 0 JJADLO COc1ccc2c(c1)OC[C@H](C(=O)N1CC[N@H+](Cc3ccc(Cl)cc3)C[C@H]1CC(C)C)C2 ZINC001460435616 1067634448 /nfs/dbraw/zinc/63/44/48/1067634448.db2.gz ILSIURNLDQJEPA-FYYLOGMGSA-N 1 2 457.014 4.659 20 0 JJADLO COc1ccc2c(c1)OC[C@H](C(=O)N1CC[N@@H+](Cc3ccc(Cl)cc3)C[C@H]1CC(C)C)C2 ZINC001460435616 1067634450 /nfs/dbraw/zinc/63/44/50/1067634450.db2.gz ILSIURNLDQJEPA-FYYLOGMGSA-N 1 2 457.014 4.659 20 0 JJADLO C[C@H]([NH2+][C@@H](CO)c1cccc(Cl)c1Cl)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC001460468852 1067639612 /nfs/dbraw/zinc/63/96/12/1067639612.db2.gz FLWDYVASLSQWNO-ZBEGNZNMSA-N 1 2 454.354 4.906 20 0 JJADLO COCCN(C(C)=O)c1nc(C[N@H+](Cc2ccc(Br)cc2)C(C)(C)C)cs1 ZINC001460479991 1067642313 /nfs/dbraw/zinc/64/23/13/1067642313.db2.gz GDDGSTRTLDZFHY-UHFFFAOYSA-N 1 2 454.434 4.706 20 0 JJADLO COCCN(C(C)=O)c1nc(C[N@@H+](Cc2ccc(Br)cc2)C(C)(C)C)cs1 ZINC001460479991 1067642317 /nfs/dbraw/zinc/64/23/17/1067642317.db2.gz GDDGSTRTLDZFHY-UHFFFAOYSA-N 1 2 454.434 4.706 20 0 JJADLO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CC[C@@H]1c1ccc(Br)cc1 ZINC001460512293 1067646743 /nfs/dbraw/zinc/64/67/43/1067646743.db2.gz MZFMLHPRYLFTHF-FUHWJXTLSA-N 1 2 459.153 4.537 20 0 JJADLO O[C@H](COc1cc(F)cc(Br)c1)C[N@H+]1CC[C@@H]1c1ccc(Br)cc1 ZINC001460512293 1067646746 /nfs/dbraw/zinc/64/67/46/1067646746.db2.gz MZFMLHPRYLFTHF-FUHWJXTLSA-N 1 2 459.153 4.537 20 0 JJADLO CCOC(=O)C1C(C[NH2+][C@@](C)(CC)c2ccc(F)cc2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001460600648 1067667173 /nfs/dbraw/zinc/66/71/73/1067667173.db2.gz FUWYTBJGFLCVKY-URXFXBBRSA-N 1 2 459.949 4.565 20 0 JJADLO O=C(C[NH+]1CCC(NC(=O)OCc2ccccc2)CC1)Nc1ccccc1Oc1ccccc1 ZINC001460656321 1067690452 /nfs/dbraw/zinc/69/04/52/1067690452.db2.gz JOENNMOQNKDVPP-UHFFFAOYSA-N 1 2 459.546 4.808 20 0 JJADLO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)C[NH2+][C@@H](CF)c1ccc(F)cc1 ZINC001460659602 1067691462 /nfs/dbraw/zinc/69/14/62/1067691462.db2.gz RHMXANWITVLRIN-UUOWRZLLSA-N 1 2 451.517 4.898 20 0 JJADLO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC001460662477 1067692518 /nfs/dbraw/zinc/69/25/18/1067692518.db2.gz UPMULTSJICVOHR-AOHZBQACSA-N 1 2 459.606 4.647 20 0 JJADLO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC001460662477 1067692520 /nfs/dbraw/zinc/69/25/20/1067692520.db2.gz UPMULTSJICVOHR-AOHZBQACSA-N 1 2 459.606 4.647 20 0 JJADLO CCOC(=O)c1c(NC(=O)[C@H](C)[N@@H+]2CCc3cc(CC)ccc3C2)sc2c1CC[C@@H](C)C2 ZINC001460979838 1067756047 /nfs/dbraw/zinc/75/60/47/1067756047.db2.gz VDSZDGAMLXFQPK-SJORKVTESA-N 1 2 454.636 4.997 20 0 JJADLO CCOC(=O)c1c(NC(=O)[C@H](C)[N@H+]2CCc3cc(CC)ccc3C2)sc2c1CC[C@@H](C)C2 ZINC001460979838 1067756048 /nfs/dbraw/zinc/75/60/48/1067756048.db2.gz VDSZDGAMLXFQPK-SJORKVTESA-N 1 2 454.636 4.997 20 0 JJADLO CCC(=O)c1cc(C(=O)N(CCCn2cc[nH+]c2)c2ccc(Br)cn2)ccc1F ZINC001461088014 1067779553 /nfs/dbraw/zinc/77/95/53/1067779553.db2.gz PPXAUKMBZWSRKK-UHFFFAOYSA-N 1 2 459.319 4.510 20 0 JJADLO COc1ccc(-n2ccc(C[NH2+]Cc3cc(Br)cc(C)c3OC(F)F)n2)cc1 ZINC001461169160 1067792023 /nfs/dbraw/zinc/79/20/23/1067792023.db2.gz FHYOVMDMOABFHP-UHFFFAOYSA-N 1 2 452.299 4.843 20 0 JJADLO COc1ccc(OCc2nc(C[NH2+][C@H]3CCCN(c4ccccc4Cl)C3=O)cs2)cc1 ZINC001461234759 1067805699 /nfs/dbraw/zinc/80/56/99/1067805699.db2.gz RSQLLCPZNNEHFY-FQEVSTJZSA-N 1 2 457.983 4.669 20 0 JJADLO COc1cc(C[NH2+]Cc2cn(C(C)(C)C)nn2)cc(Br)c1OCc1ccccc1 ZINC001461404037 1067847263 /nfs/dbraw/zinc/84/72/63/1067847263.db2.gz CHQDJCGZVKSTJI-UHFFFAOYSA-N 1 2 459.388 4.673 20 0 JJADLO C[C@@](CO)([NH2+]Cc1ccc(F)cc1I)c1cc(Cl)cc(Cl)c1 ZINC001461508943 1067878782 /nfs/dbraw/zinc/87/87/82/1067878782.db2.gz WGXRQCVKMLRMEG-INIZCTEOSA-N 1 2 454.110 4.734 20 0 JJADLO COc1nsc(CNc2[nH+]c3ccccc3n2Cc2cccc(OC)c2)c1Br ZINC001461725440 1067926365 /nfs/dbraw/zinc/92/63/65/1067926365.db2.gz ZUVFSPZOPJFAKN-UHFFFAOYSA-N 1 2 459.369 4.933 20 0 JJADLO COc1ccccc1C[N@H+](CCO)Cc1cn(-c2ccc(Br)cc2)nc1C(C)C ZINC001461841253 1067944973 /nfs/dbraw/zinc/94/49/73/1067944973.db2.gz FSAWQCFYCOQVAG-UHFFFAOYSA-N 1 2 458.400 4.761 20 0 JJADLO COc1ccccc1C[N@@H+](CCO)Cc1cn(-c2ccc(Br)cc2)nc1C(C)C ZINC001461841253 1067944981 /nfs/dbraw/zinc/94/49/81/1067944981.db2.gz FSAWQCFYCOQVAG-UHFFFAOYSA-N 1 2 458.400 4.761 20 0 JJADLO C[N@H+](Cc1ccccc1)[C@@H]1CCN(Cc2cc(Br)c(O)c(Br)c2)C1 ZINC001461850407 1067946644 /nfs/dbraw/zinc/94/66/44/1067946644.db2.gz MNBCPHTXWXHEOM-MRXNPFEDSA-N 1 2 454.206 4.624 20 0 JJADLO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(Cc2cc(Br)c(O)c(Br)c2)C1 ZINC001461850407 1067946649 /nfs/dbraw/zinc/94/66/49/1067946649.db2.gz MNBCPHTXWXHEOM-MRXNPFEDSA-N 1 2 454.206 4.624 20 0 JJADLO COc1ccc(N(C(C)=O)c2nc(C[N@@H+]3CC[C@@H](COCc4ccccc4)C3)cs2)cc1 ZINC001461853622 1067947405 /nfs/dbraw/zinc/94/74/05/1067947405.db2.gz QSQQNOGRFBTFKC-OAQYLSRUSA-N 1 2 451.592 4.875 20 0 JJADLO COc1ccc(N(C(C)=O)c2nc(C[N@H+]3CC[C@@H](COCc4ccccc4)C3)cs2)cc1 ZINC001461853622 1067947408 /nfs/dbraw/zinc/94/74/08/1067947408.db2.gz QSQQNOGRFBTFKC-OAQYLSRUSA-N 1 2 451.592 4.875 20 0 JJADLO CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(Cc2cc(OC)c(OC)cc2F)CC1 ZINC001461902024 1067958030 /nfs/dbraw/zinc/95/80/30/1067958030.db2.gz LVNJIUAAQRUWFQ-FQEVSTJZSA-N 1 2 451.380 4.874 20 0 JJADLO CCc1[nH]c(CN2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1C(=O)OC ZINC001462006390 1067978993 /nfs/dbraw/zinc/97/89/93/1067978993.db2.gz TXZNNUIKJXPMHK-UHFFFAOYSA-N 1 2 453.533 4.549 20 0 JJADLO Cc1nn(-c2ccccc2C)c(C)c1C[NH+]1CCN(Cc2ccc(Br)s2)CC1 ZINC001462018069 1067982273 /nfs/dbraw/zinc/98/22/73/1067982273.db2.gz CXRMSYUPZMKMML-UHFFFAOYSA-N 1 2 459.457 4.939 20 0 JJADLO COCO[C@H](C)c1cc(F)c(C[NH+]2CCC(O)(c3ccccc3)CC2)cc1Br ZINC001462055394 1067992489 /nfs/dbraw/zinc/99/24/89/1067992489.db2.gz TXGYFDRSUYNMDE-MRXNPFEDSA-N 1 2 452.364 4.753 20 0 JJADLO COc1ccc(N(C(C)=O)c2nc(C[N@H+](Cc3ccccc3)[C@H](CO)C3CC3)cs2)cc1 ZINC001462055338 1067992678 /nfs/dbraw/zinc/99/26/78/1067992678.db2.gz WLVBGKTUQRHUEF-XMMPIXPASA-N 1 2 451.592 4.609 20 0 JJADLO COc1ccc(N(C(C)=O)c2nc(C[N@@H+](Cc3ccccc3)[C@H](CO)C3CC3)cs2)cc1 ZINC001462055338 1067992692 /nfs/dbraw/zinc/99/26/92/1067992692.db2.gz WLVBGKTUQRHUEF-XMMPIXPASA-N 1 2 451.592 4.609 20 0 JJADLO COC(=O)[C@H](C[C@@H]1CCCc2ccccc21)NCc1c[nH+]c2c(C)cc(Br)cn12 ZINC001462122070 1068009432 /nfs/dbraw/zinc/00/94/32/1068009432.db2.gz ZRZOYKQSDUDKEX-UWJYYQICSA-N 1 2 456.384 4.547 20 0 JJADLO COC(=O)[C@H](C[C@H]1CCCc2ccccc21)NCc1c[nH+]c2c(C)cc(Br)cn12 ZINC001462122067 1068009470 /nfs/dbraw/zinc/00/94/70/1068009470.db2.gz ZRZOYKQSDUDKEX-UTKZUKDTSA-N 1 2 456.384 4.547 20 0 JJADLO CCC[N@H+](Cc1cc(C2CN(C(=O)OC(C)(C)C)C2)no1)[C@@H](C)C(=O)Nc1ccccc1C ZINC001462154305 1068017550 /nfs/dbraw/zinc/01/75/50/1068017550.db2.gz KIFIQDDQMOMHQH-SFHVURJKSA-N 1 2 456.587 4.557 20 0 JJADLO CCC[N@@H+](Cc1cc(C2CN(C(=O)OC(C)(C)C)C2)no1)[C@@H](C)C(=O)Nc1ccccc1C ZINC001462154305 1068017564 /nfs/dbraw/zinc/01/75/64/1068017564.db2.gz KIFIQDDQMOMHQH-SFHVURJKSA-N 1 2 456.587 4.557 20 0 JJADLO CC(C)(C)OC(=O)N1CC(c2cc(C[NH2+][C@@H]3CCOc4c(Cl)c(Cl)ccc43)on2)C1 ZINC001462188091 1068025199 /nfs/dbraw/zinc/02/51/99/1068025199.db2.gz FFRRZJNIMPGJDI-MRXNPFEDSA-N 1 2 454.354 4.929 20 0 JJADLO CC(C)(C)OC(=O)NCC[N@H+](CC(=O)N(CC1CC1)c1cccc(F)c1)Cc1ccccc1 ZINC001462190396 1068025548 /nfs/dbraw/zinc/02/55/48/1068025548.db2.gz AZQZDNZJTCMPRF-UHFFFAOYSA-N 1 2 455.574 4.596 20 0 JJADLO CC(C)(C)OC(=O)NCC[N@@H+](CC(=O)N(CC1CC1)c1cccc(F)c1)Cc1ccccc1 ZINC001462190396 1068025561 /nfs/dbraw/zinc/02/55/61/1068025561.db2.gz AZQZDNZJTCMPRF-UHFFFAOYSA-N 1 2 455.574 4.596 20 0 JJADLO COc1ccc(C[NH+]2CCN(c3cc(OC)ccc3Cl)CC2)c(OCc2cccnc2)c1 ZINC001462402782 1068066507 /nfs/dbraw/zinc/06/65/07/1068066507.db2.gz KMIONUASDYXKOI-UHFFFAOYSA-N 1 2 453.970 4.653 20 0 JJADLO COCc1ccccc1/C=C(\C)C[N@@H+]1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1 ZINC001462412933 1068069055 /nfs/dbraw/zinc/06/90/55/1068069055.db2.gz HIVLMMQAQFIRIY-HEIXFDNSSA-N 1 2 464.503 4.912 20 0 JJADLO COCc1ccccc1/C=C(\C)C[N@H+]1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1 ZINC001462412933 1068069069 /nfs/dbraw/zinc/06/90/69/1068069069.db2.gz HIVLMMQAQFIRIY-HEIXFDNSSA-N 1 2 464.503 4.912 20 0 JJADLO Fc1ccc(C(F)(F)F)c(Br)c1CN1C[C@H]2OCC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001462420207 1068070864 /nfs/dbraw/zinc/07/08/64/1068070864.db2.gz DEKJWDMBSLEBFL-RBUKOAKNSA-N 1 2 473.308 4.692 20 0 JJADLO Fc1ccc(C(F)(F)F)c(Br)c1CN1C[C@H]2OCC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001462420207 1068070881 /nfs/dbraw/zinc/07/08/81/1068070881.db2.gz DEKJWDMBSLEBFL-RBUKOAKNSA-N 1 2 473.308 4.692 20 0 JJADLO CC1(C)[C@@H](c2ccc(F)c(F)c2)CCN1C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC001462543781 1068094981 /nfs/dbraw/zinc/09/49/81/1068094981.db2.gz RHSHKDNYTIPDTB-HXUWFJFHSA-N 1 2 452.505 4.598 20 0 JJADLO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(OC(F)(F)F)c(Br)c2)C[C@H]1C(F)(F)F ZINC001462559430 1068098122 /nfs/dbraw/zinc/09/81/22/1068098122.db2.gz YSCFNVFTKWLHTA-GHMZBOCLSA-N 1 2 464.200 4.521 20 0 JJADLO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(OC(F)(F)F)c(Br)c2)C[C@H]1C(F)(F)F ZINC001462559430 1068098132 /nfs/dbraw/zinc/09/81/32/1068098132.db2.gz YSCFNVFTKWLHTA-GHMZBOCLSA-N 1 2 464.200 4.521 20 0 JJADLO Cc1c(C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H](c2cccc(Cl)c2)C(F)F)cnn1C ZINC001462584334 1068104469 /nfs/dbraw/zinc/10/44/69/1068104469.db2.gz JUIQBJZTYSQFKV-DNVCBOLYSA-N 1 2 456.965 4.661 20 0 JJADLO O=C(NCCN(Cc1ccccc1)c1cccc[nH+]1)c1cnc(-c2c(F)cccc2F)s1 ZINC001462647475 1068123055 /nfs/dbraw/zinc/12/30/55/1068123055.db2.gz XBZDPVWQMRGRAB-UHFFFAOYSA-N 1 2 450.514 4.920 20 0 JJADLO CCOC(=O)c1ccc(-c2ccc(C[N@@H+]3CCO[C@@H](c4ccc(OC)c(OC)c4)C3)o2)cc1 ZINC001462681891 1068130466 /nfs/dbraw/zinc/13/04/66/1068130466.db2.gz ZPSGZDFSKRQTHK-RUZDIDTESA-N 1 2 451.519 4.714 20 0 JJADLO CCOC(=O)c1ccc(-c2ccc(C[N@H+]3CCO[C@@H](c4ccc(OC)c(OC)c4)C3)o2)cc1 ZINC001462681891 1068130470 /nfs/dbraw/zinc/13/04/70/1068130470.db2.gz ZPSGZDFSKRQTHK-RUZDIDTESA-N 1 2 451.519 4.714 20 0 JJADLO Cc1cc([C@H](NS(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)c2ccccc2Cl)ccc1F ZINC001463199106 1068317524 /nfs/dbraw/zinc/31/75/24/1068317524.db2.gz APZPLDPSVARWCD-DEOSSOPVSA-N 1 2 458.986 4.843 20 0 JJADLO Cc1cc([C@H](NS(=O)(=O)c2cccc3c2CC[N@H+](C)C3)c2ccccc2Cl)ccc1F ZINC001463199106 1068317534 /nfs/dbraw/zinc/31/75/34/1068317534.db2.gz APZPLDPSVARWCD-DEOSSOPVSA-N 1 2 458.986 4.843 20 0 JJADLO CN([C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1)S(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC001463263105 1068338102 /nfs/dbraw/zinc/33/81/02/1068338102.db2.gz UDNJDDUSMMGNSE-XMMPIXPASA-N 1 2 458.986 4.877 20 0 JJADLO CN([C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1)S(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC001463263105 1068338118 /nfs/dbraw/zinc/33/81/18/1068338118.db2.gz UDNJDDUSMMGNSE-XMMPIXPASA-N 1 2 458.986 4.877 20 0 JJADLO O=C(c1ccc(Br)cc1Cl)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC001463604387 1068462483 /nfs/dbraw/zinc/46/24/83/1068462483.db2.gz QSYRLLNDSKQVMH-UHFFFAOYSA-N 1 2 458.183 4.593 20 0 JJADLO Cc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccc(F)c2)cc1I ZINC001463696017 1068497257 /nfs/dbraw/zinc/49/72/57/1068497257.db2.gz MWJIQGRJCYLUIB-IBGZPJMESA-N 1 2 452.311 4.732 20 0 JJADLO Cc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2cccc(F)c2)cc1I ZINC001463696017 1068497266 /nfs/dbraw/zinc/49/72/66/1068497266.db2.gz MWJIQGRJCYLUIB-IBGZPJMESA-N 1 2 452.311 4.732 20 0 JJADLO CCOc1ccc(C[NH+]2CCN(C(=O)[C@H](C)Cc3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC001463836146 1068541989 /nfs/dbraw/zinc/54/19/89/1068541989.db2.gz UUTNOZVJTUVEJF-GOSISDBHSA-N 1 2 450.501 4.507 20 0 JJADLO O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC001463863849 1068550482 /nfs/dbraw/zinc/55/04/82/1068550482.db2.gz RXIWDAGEDHEZGG-SNAWJCMRSA-N 1 2 458.402 4.787 20 0 JJADLO CCC(CC)[C@@H](CNC(=O)c1sc(-c2ccco2)nc1-c1ccccc1)[NH+]1CCOCC1 ZINC001463873251 1068552772 /nfs/dbraw/zinc/55/27/72/1068552772.db2.gz LPTOSFOLHHUCER-HXUWFJFHSA-N 1 2 453.608 4.937 20 0 JJADLO C[C@@H](NS(=O)(=O)c1cccc2c1CC[N@H+](C)C2)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC001464030229 1068593462 /nfs/dbraw/zinc/59/34/62/1068593462.db2.gz OJXMEVNBEANQLO-UXHICEINSA-N 1 2 450.604 4.854 20 0 JJADLO C[C@@H](NS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC001464030229 1068593472 /nfs/dbraw/zinc/59/34/72/1068593472.db2.gz OJXMEVNBEANQLO-UXHICEINSA-N 1 2 450.604 4.854 20 0 JJADLO O=C(c1[nH]ncc1C(F)(F)F)N1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC001464046944 1068599207 /nfs/dbraw/zinc/59/92/07/1068599207.db2.gz LLBWIZNRWBPXNR-UHFFFAOYSA-N 1 2 454.905 4.768 20 0 JJADLO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1)c1ccsc1 ZINC001464138139 1068630549 /nfs/dbraw/zinc/63/05/49/1068630549.db2.gz CMXVWHFXJQSSNI-QHCPKHFHSA-N 1 2 456.633 4.535 20 0 JJADLO C[C@H](CNC(=O)c1sc(-c2ccccc2)nc1C(F)F)[NH+]1CCN(c2ccccc2)CC1 ZINC001464201694 1068654982 /nfs/dbraw/zinc/65/49/82/1068654982.db2.gz SQCATJFNQPMQGM-QGZVFWFLSA-N 1 2 456.562 4.688 20 0 JJADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H]3CCOc4ccc(Br)cc43)n2)C1 ZINC001464378258 1068724659 /nfs/dbraw/zinc/72/46/59/1068724659.db2.gz IOCPQDCDQDSITN-BBRMVZONSA-N 1 2 450.402 4.642 20 0 JJADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H]3CCOc4ccc(Br)cc43)n2)C1 ZINC001464378258 1068724665 /nfs/dbraw/zinc/72/46/65/1068724665.db2.gz IOCPQDCDQDSITN-BBRMVZONSA-N 1 2 450.402 4.642 20 0 JJADLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1cc(-c2ccc(OC(F)(F)F)cc2)[nH]n1 ZINC001464386787 1068727269 /nfs/dbraw/zinc/72/72/69/1068727269.db2.gz ORDYEJVFFCQFOI-UHFFFAOYSA-N 1 2 457.412 4.503 20 0 JJADLO Cc1[nH]c(-c2cccc(NC(=O)C3(S(=O)(=O)c4ccc(F)cc4)CCCCC3)c2)[nH+]c1C ZINC001464457880 1068753259 /nfs/dbraw/zinc/75/32/59/1068753259.db2.gz NUVGRRPKPDPLMX-UHFFFAOYSA-N 1 2 455.555 4.948 20 0 JJADLO Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)[C@H](C)[NH+]1CCSCC1 ZINC001464481749 1068761797 /nfs/dbraw/zinc/76/17/97/1068761797.db2.gz YERDHQTXGYHUKL-HNNXBMFYSA-N 1 2 451.514 4.642 20 0 JJADLO Cn1cnnc1Sc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)cc1Cl ZINC001464578955 1068789803 /nfs/dbraw/zinc/78/98/03/1068789803.db2.gz KSHWDCGHZUOJMJ-LJQANCHMSA-N 1 2 459.978 4.752 20 0 JJADLO Cn1cnnc1Sc1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)cc1Cl ZINC001464578955 1068789814 /nfs/dbraw/zinc/78/98/14/1068789814.db2.gz KSHWDCGHZUOJMJ-LJQANCHMSA-N 1 2 459.978 4.752 20 0 JJADLO COc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)c1 ZINC001464718614 1068836719 /nfs/dbraw/zinc/83/67/19/1068836719.db2.gz JXJCUUNZGCNQAH-UHFFFAOYSA-N 1 2 455.518 4.508 20 0 JJADLO FC(F)(c1ccc(Cl)nc1Cl)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164418546 718889642 /nfs/dbraw/zinc/88/96/42/718889642.db2.gz OXKUEQFYDJVKQG-LBPRGKRZSA-N 1 2 478.124 4.921 20 0 JJADLO FC(F)(c1cc(Cl)cnc1Cl)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164415816 718889986 /nfs/dbraw/zinc/88/99/86/718889986.db2.gz BVRNJBMAUJJFKS-ZDUSSCGKSA-N 1 2 478.124 4.921 20 0 JJADLO FC(F)(c1ccc2ncnc(Cl)c2c1)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164419147 718890125 /nfs/dbraw/zinc/89/01/25/718890125.db2.gz QAYVTYYVSMTBMV-INIZCTEOSA-N 1 2 494.727 4.816 20 0 JJADLO FC(F)(c1ccc2c(Cl)ncnc2c1)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164421908 718890163 /nfs/dbraw/zinc/89/01/63/718890163.db2.gz ZHHJIPRZOSCPRO-INIZCTEOSA-N 1 2 494.727 4.816 20 0 JJADLO Cc1ccc(Cl)nc1C(F)(F)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164415808 718890636 /nfs/dbraw/zinc/89/06/36/718890636.db2.gz BORAWYBUQDGDSI-ZDUSSCGKSA-N 1 2 457.706 4.576 20 0 JJADLO FC(F)(c1cc(C2CC2)nnc1Cl)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164417093 718891027 /nfs/dbraw/zinc/89/10/27/718891027.db2.gz HRESWFMDOYBXPQ-HNNXBMFYSA-N 1 2 484.732 4.540 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(COC)nc(-c3ccccc3)n1)CC2 ZINC001164663458 719346345 /nfs/dbraw/zinc/34/63/45/719346345.db2.gz HJJBLDOFPPFQDZ-UHFFFAOYSA-N 1 2 494.643 4.985 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(COC)nc(-c3ccccc3)n1)CC2 ZINC001164663458 719346348 /nfs/dbraw/zinc/34/63/48/719346348.db2.gz HJJBLDOFPPFQDZ-UHFFFAOYSA-N 1 2 494.643 4.985 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nnc(Cl)c3ccccc31)CC2 ZINC001164663474 719347088 /nfs/dbraw/zinc/34/70/88/719347088.db2.gz IAPCRELIWGZVKZ-UHFFFAOYSA-N 1 2 458.997 4.978 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nnc(Cl)c3ccccc31)CC2 ZINC001164663474 719347092 /nfs/dbraw/zinc/34/70/92/719347092.db2.gz IAPCRELIWGZVKZ-UHFFFAOYSA-N 1 2 458.997 4.978 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc3cc(Cl)ncc31)CC2 ZINC001164663111 719348417 /nfs/dbraw/zinc/34/84/17/719348417.db2.gz CZTKDFBNXOPAHH-UHFFFAOYSA-N 1 2 458.997 4.978 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc3cc(Cl)ncc31)CC2 ZINC001164663111 719348419 /nfs/dbraw/zinc/34/84/19/719348419.db2.gz CZTKDFBNXOPAHH-UHFFFAOYSA-N 1 2 458.997 4.978 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)c3cc(OC)ccc3n1)CC2 ZINC001164659956 719351861 /nfs/dbraw/zinc/35/18/61/719351861.db2.gz SWOJYMGNPWSDLA-UHFFFAOYSA-N 1 2 468.605 4.642 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)c3cc(OC)ccc3n1)CC2 ZINC001164659956 719351862 /nfs/dbraw/zinc/35/18/62/719351862.db2.gz SWOJYMGNPWSDLA-UHFFFAOYSA-N 1 2 468.605 4.642 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3nc(SC)sc31)CC2 ZINC001164658138 719352241 /nfs/dbraw/zinc/35/22/41/719352241.db2.gz DSDHKLIORKRBBK-UHFFFAOYSA-N 1 2 477.663 4.503 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3nc(SC)sc31)CC2 ZINC001164658138 719352245 /nfs/dbraw/zinc/35/22/45/719352245.db2.gz DSDHKLIORKRBBK-UHFFFAOYSA-N 1 2 477.663 4.503 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(-c3cccs3)ncn1)CC2 ZINC001164658449 719354112 /nfs/dbraw/zinc/35/41/12/719354112.db2.gz HDXQPSYPXNXHDC-UHFFFAOYSA-N 1 2 456.619 4.900 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(-c3cccs3)ncn1)CC2 ZINC001164658449 719354117 /nfs/dbraw/zinc/35/41/17/719354117.db2.gz HDXQPSYPXNXHDC-UHFFFAOYSA-N 1 2 456.619 4.900 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc3c(nc1Cl)CCCC3)CC2 ZINC001164663139 719355999 /nfs/dbraw/zinc/35/59/99/719355999.db2.gz CQBZUZJGSVSCEG-UHFFFAOYSA-N 1 2 463.029 4.704 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc3c(nc1Cl)CCCC3)CC2 ZINC001164663139 719356001 /nfs/dbraw/zinc/35/60/01/719356001.db2.gz CQBZUZJGSVSCEG-UHFFFAOYSA-N 1 2 463.029 4.704 20 0 JJADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2cc(Cl)nc(-c4ccc(F)cc4)n2)CC3)cc1 ZINC001164672695 719526385 /nfs/dbraw/zinc/52/63/85/719526385.db2.gz MTOYLZQOUAFLMX-UHFFFAOYSA-N 1 2 470.951 4.947 20 0 JJADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2cc(Cl)nc(-c4ccc(F)cc4)n2)CC3)cc1 ZINC001164672695 719526391 /nfs/dbraw/zinc/52/63/91/719526391.db2.gz MTOYLZQOUAFLMX-UHFFFAOYSA-N 1 2 470.951 4.947 20 0 JJADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2ccnc(CSc4ccccc4)n2)CC3)cc1 ZINC001164679139 719530407 /nfs/dbraw/zinc/53/04/07/719530407.db2.gz UGNDENHEMIXQCZ-UHFFFAOYSA-N 1 2 464.610 4.779 20 0 JJADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2ccnc(CSc4ccccc4)n2)CC3)cc1 ZINC001164679139 719530418 /nfs/dbraw/zinc/53/04/18/719530418.db2.gz UGNDENHEMIXQCZ-UHFFFAOYSA-N 1 2 464.610 4.779 20 0 JJADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2c(Cl)nc(Cl)nc2C2CC2)CC3)cc1 ZINC001164677576 719532936 /nfs/dbraw/zinc/53/29/36/719532936.db2.gz FYRRETPYLXMVFC-UHFFFAOYSA-N 1 2 451.373 4.671 20 0 JJADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2c(Cl)nc(Cl)nc2C2CC2)CC3)cc1 ZINC001164677576 719532947 /nfs/dbraw/zinc/53/29/47/719532947.db2.gz FYRRETPYLXMVFC-UHFFFAOYSA-N 1 2 451.373 4.671 20 0 JJADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc(-c2ccc(C)cc2)nnc1Cl ZINC001164725036 720317051 /nfs/dbraw/zinc/31/70/51/720317051.db2.gz VISBSQGXRATAJP-NRFANRHFSA-N 1 2 488.970 4.668 20 0 JJADLO FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164755867 720981521 /nfs/dbraw/zinc/98/15/21/720981521.db2.gz CMDKOPKFVPYMKV-ZDUSSCGKSA-N 1 2 450.839 4.558 20 0 JJADLO COc1ccc(-c2cc(C(F)(F)N3Cc4c[nH+]cn4C[C@H](COCC4CC4)C3)c(Cl)nn2)cc1 ZINC001164756365 720984449 /nfs/dbraw/zinc/98/44/49/720984449.db2.gz HHMDTKQCKXDKAO-KRWDZBQOSA-N 1 2 489.954 4.610 20 0 JJADLO FC(F)(c1cc(Cl)nc2c1CCCCC2)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164758573 720985417 /nfs/dbraw/zinc/98/54/17/720985417.db2.gz WJARINSLPXJTBW-KRWDZBQOSA-N 1 2 450.961 4.808 20 0 JJADLO Cc1ccc(-c2cc(C(F)(F)N3Cc4c[nH+]cn4C[C@H](COCC4CC4)C3)c(Cl)nn2)cc1 ZINC001164757596 720985556 /nfs/dbraw/zinc/98/55/56/720985556.db2.gz PJMXHHSJHKNQSU-SFHVURJKSA-N 1 2 473.955 4.910 20 0 JJADLO FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164875132 721222781 /nfs/dbraw/zinc/22/27/81/721222781.db2.gz WMYKJDXCVKLWCN-UHFFFAOYSA-N 1 2 471.939 4.613 20 0 JJADLO FC(F)(c1cccc2c(Cl)nccc21)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164770041 721275075 /nfs/dbraw/zinc/27/50/75/721275075.db2.gz SVTUYJXJYODGHJ-INIZCTEOSA-N 1 2 455.896 4.740 20 0 JJADLO Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)c(Cl)nn2)c1 ZINC001164783183 721439021 /nfs/dbraw/zinc/43/90/21/721439021.db2.gz NETQJXFTKKEJNY-IRXDYDNUSA-N 1 2 461.969 4.675 20 0 JJADLO Fc1cccc(-c2cc(C(F)(F)N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)c(Cl)nn2)c1 ZINC001164781962 721439219 /nfs/dbraw/zinc/43/92/19/721439219.db2.gz HSLNOMDISGBXSG-HUUCEWRRSA-N 1 2 465.932 4.506 20 0 JJADLO Cc1cncc(COC[C@@]23CCC[C@H]2CN(c2ncnc4c2C[N@H+](Cc2ccccc2)CC4)C3)c1 ZINC001164798406 721600612 /nfs/dbraw/zinc/60/06/12/721600612.db2.gz FJZUKFIIWQILLH-SVEHJYQDSA-N 1 2 469.633 4.562 20 0 JJADLO Cc1cncc(COC[C@@]23CCC[C@H]2CN(c2ncnc4c2C[N@@H+](Cc2ccccc2)CC4)C3)c1 ZINC001164798406 721600614 /nfs/dbraw/zinc/60/06/14/721600614.db2.gz FJZUKFIIWQILLH-SVEHJYQDSA-N 1 2 469.633 4.562 20 0 JJADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(-c3ccc(F)cc3)nc3ccc(Cl)cc31)C2 ZINC001165011733 721698966 /nfs/dbraw/zinc/69/89/66/721698966.db2.gz XEDLPXMFRPLMJT-UHFFFAOYSA-N 1 2 479.991 4.931 20 0 JJADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(-c3ccc(F)cc3)nc3ccc(Cl)cc31)C2 ZINC001165011733 721698973 /nfs/dbraw/zinc/69/89/73/721698973.db2.gz XEDLPXMFRPLMJT-UHFFFAOYSA-N 1 2 479.991 4.931 20 0 JJADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(-c3ccccc3)cc(-c3ccccc3)n1)C2 ZINC001165009523 721699576 /nfs/dbraw/zinc/69/95/76/721699576.db2.gz AECMCUZPDCNXTG-UHFFFAOYSA-N 1 2 453.594 4.653 20 0 JJADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(-c3ccccc3)cc(-c3ccccc3)n1)C2 ZINC001165009523 721699580 /nfs/dbraw/zinc/69/95/80/721699580.db2.gz AECMCUZPDCNXTG-UHFFFAOYSA-N 1 2 453.594 4.653 20 0 JJADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(-c3ccccc3)nc3cc(Cl)ccc31)C2 ZINC001165008280 721707792 /nfs/dbraw/zinc/70/77/92/721707792.db2.gz DMQMNOFRGDLEHC-UHFFFAOYSA-N 1 2 462.001 4.792 20 0 JJADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(-c3ccccc3)nc3cc(Cl)ccc31)C2 ZINC001165008280 721707794 /nfs/dbraw/zinc/70/77/94/721707794.db2.gz DMQMNOFRGDLEHC-UHFFFAOYSA-N 1 2 462.001 4.792 20 0 JJADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ccc(-c3ccc(-c4ccccc4)cc3)nn1)C2 ZINC001165008615 721717189 /nfs/dbraw/zinc/71/71/89/721717189.db2.gz ISEYFUQYNSYMIK-UHFFFAOYSA-N 1 2 453.594 4.653 20 0 JJADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ccc(-c3ccc(-c4ccccc4)cc3)nn1)C2 ZINC001165008615 721717197 /nfs/dbraw/zinc/71/71/97/721717197.db2.gz ISEYFUQYNSYMIK-UHFFFAOYSA-N 1 2 453.594 4.653 20 0 JJADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cnc(Cl)nc1Oc1ccc(Cl)cc1)CC2 ZINC001164951252 721981581 /nfs/dbraw/zinc/98/15/81/721981581.db2.gz YPMKSRJVQDQXQC-UHFFFAOYSA-N 1 2 498.414 4.547 20 0 JJADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cnc(Cl)nc1Oc1ccc(Cl)cc1)CC2 ZINC001164951252 721981583 /nfs/dbraw/zinc/98/15/83/721981583.db2.gz YPMKSRJVQDQXQC-UHFFFAOYSA-N 1 2 498.414 4.547 20 0 JJADLO O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)CC2 ZINC001164999438 722221051 /nfs/dbraw/zinc/22/10/51/722221051.db2.gz RCRTYHKLNWFKHK-NDEPHWFRSA-N 1 2 493.655 4.615 20 0 JJADLO O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)CC2 ZINC001164999438 722221053 /nfs/dbraw/zinc/22/10/53/722221053.db2.gz RCRTYHKLNWFKHK-NDEPHWFRSA-N 1 2 493.655 4.615 20 0 JJADLO c1ccc(C[C@H]2[C@@H](OCC3CC3)CCN2c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)cc1 ZINC001165007459 722271343 /nfs/dbraw/zinc/27/13/43/722271343.db2.gz WOTFPODSTOMLSM-NSOVKSMOSA-N 1 2 454.618 4.652 20 0 JJADLO c1ccc(C[C@H]2[C@@H](OCC3CC3)CCN2c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC001165007459 722271345 /nfs/dbraw/zinc/27/13/45/722271345.db2.gz WOTFPODSTOMLSM-NSOVKSMOSA-N 1 2 454.618 4.652 20 0 JJADLO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)C(C)(C)C2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001545865544 1064273664 /nfs/dbraw/zinc/27/36/64/1064273664.db2.gz FGSFOOMUPXCQDU-FQEVSTJZSA-N 1 2 481.689 4.503 20 0 JJADLO CC(C)[C@H]1CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001359737697 1064299395 /nfs/dbraw/zinc/29/93/95/1064299395.db2.gz DIDCVAWIJVGDRF-ZJSXRUAMSA-N 1 2 469.674 4.500 20 0 JJADLO CC(C)[C@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2CC[N@@H+]2CCOC[C@H]2C)CCS1 ZINC001359755430 1064348529 /nfs/dbraw/zinc/34/85/29/1064348529.db2.gz ABUITWGEWVKCFG-WIYYLYMNSA-N 1 2 496.146 4.522 20 0 JJADLO CC(C)[C@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2CC[N@H+]2CCOC[C@H]2C)CCS1 ZINC001359755430 1064348538 /nfs/dbraw/zinc/34/85/38/1064348538.db2.gz ABUITWGEWVKCFG-WIYYLYMNSA-N 1 2 496.146 4.522 20 0 JJADLO CC(C)[C@H]1OCC[C@H]1Cn1c(N2CC[NH+](Cc3cccc(Cl)c3)CC2)nnc1C(C)(C)C ZINC001359759643 1064364424 /nfs/dbraw/zinc/36/44/24/1064364424.db2.gz KKMMYVRHSNYRAR-RBBKRZOGSA-N 1 2 460.066 4.612 20 0 JJADLO CC(C)Cc1nnc(N(C)[C@@H](C)C2CCCCC2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001359786304 1064439832 /nfs/dbraw/zinc/43/98/32/1064439832.db2.gz RSWUWCDMHRRWLL-WIOPSUGQSA-N 1 2 453.675 4.783 20 0 JJADLO CC(C)Cc1nnc(N(C)[C@@H](C)C2CCCCC2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001359786304 1064439837 /nfs/dbraw/zinc/43/98/37/1064439837.db2.gz RSWUWCDMHRRWLL-WIOPSUGQSA-N 1 2 453.675 4.783 20 0 JJADLO CC(C)Cc1nnc(N(Cc2cccs2)C(C)C)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001359787219 1064442339 /nfs/dbraw/zinc/44/23/39/1064442339.db2.gz WRXDOGBTFRWRQU-HXUWFJFHSA-N 1 2 468.671 4.622 20 0 JJADLO CC(C)Cc1nnc(N2CCC(CC(F)(F)F)CC2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001359805182 1064474421 /nfs/dbraw/zinc/47/44/21/1064474421.db2.gz KETIVSMPZJKIIO-QFIPXVFZSA-N 1 2 479.591 4.546 20 0 JJADLO CC(C)Cc1nnc(N2CCC(CC(F)(F)F)CC2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001359805182 1064474432 /nfs/dbraw/zinc/47/44/32/1064474432.db2.gz KETIVSMPZJKIIO-QFIPXVFZSA-N 1 2 479.591 4.546 20 0 JJADLO CC(C)Cc1nnc(N2CC[NH+](CCOc3ccccc3Cl)CC2)n1CCCC(F)(F)F ZINC001359859499 1064547140 /nfs/dbraw/zinc/54/71/40/1064547140.db2.gz DFCJOHZGNNCJFE-UHFFFAOYSA-N 1 2 473.971 4.674 20 0 JJADLO CC(C)Cc1nnc(N2CC[NH+](CCOc3ccccc3Cl)CC2)n1CCc1cccs1 ZINC001359860759 1064550304 /nfs/dbraw/zinc/55/03/04/1064550304.db2.gz VMKOKJFZDMJCHG-UHFFFAOYSA-N 1 2 474.074 4.635 20 0 JJADLO CC(C)Cc1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001359876039 1064566786 /nfs/dbraw/zinc/56/67/86/1064566786.db2.gz SAPOMIFZAGFXJU-IEBWSBKVSA-N 1 2 450.553 4.545 20 0 JJADLO CC(C)C[C@@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001359885734 1064580677 /nfs/dbraw/zinc/58/06/77/1064580677.db2.gz FJXRUAFLHJIVBS-GOTSBHOMSA-N 1 2 483.701 4.748 20 0 JJADLO CC(C)C[C@@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001359885734 1064580688 /nfs/dbraw/zinc/58/06/88/1064580688.db2.gz FJXRUAFLHJIVBS-GOTSBHOMSA-N 1 2 483.701 4.748 20 0 JJADLO CC(C)CCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC001359914905 1064634704 /nfs/dbraw/zinc/63/47/04/1064634704.db2.gz PVWYTEFXSKUGHM-QFIPXVFZSA-N 1 2 469.033 4.549 20 0 JJADLO CC(C)CCOc1ccc(-c2nnc(N3CC[C@H]([NH+]4CCN(C(C)C)CC4)C3)n2CC(C)C)cc1 ZINC001359951869 1064711733 /nfs/dbraw/zinc/71/17/33/1064711733.db2.gz IFXGLXOYZCSVTE-VWLOTQADSA-N 1 2 482.717 4.631 20 0 JJADLO CC(C)CCOC1CCN(c2nnc(Cc3ccccc3F)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001359958214 1064727226 /nfs/dbraw/zinc/72/72/26/1064727226.db2.gz PBKXLBKTRZQFAQ-UHFFFAOYSA-N 1 2 480.632 4.549 20 0 JJADLO C[C@@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001435391941 1064736217 /nfs/dbraw/zinc/73/62/17/1064736217.db2.gz GZPHIFKRJHFNCU-KKSFZXQISA-N 1 2 459.377 4.639 20 0 JJADLO C[C@@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001435391941 1064736230 /nfs/dbraw/zinc/73/62/30/1064736230.db2.gz GZPHIFKRJHFNCU-KKSFZXQISA-N 1 2 459.377 4.639 20 0 JJADLO CCc1ccc(C(C)(C)NC(=O)C[N@H+](CCNC(=O)OC(C)(C)C)Cc2ccccc2)cc1 ZINC001435410623 1064743891 /nfs/dbraw/zinc/74/38/91/1064743891.db2.gz YWHPBCRHFDYCEW-UHFFFAOYSA-N 1 2 453.627 4.627 20 0 JJADLO CCc1ccc(C(C)(C)NC(=O)C[N@@H+](CCNC(=O)OC(C)(C)C)Cc2ccccc2)cc1 ZINC001435410623 1064743908 /nfs/dbraw/zinc/74/39/08/1064743908.db2.gz YWHPBCRHFDYCEW-UHFFFAOYSA-N 1 2 453.627 4.627 20 0 JJADLO CC(C)CCOCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001359968525 1064744455 /nfs/dbraw/zinc/74/44/55/1064744455.db2.gz YWVWVMDJADLAKI-UHFFFAOYSA-N 1 2 483.060 4.609 20 0 JJADLO CC[C@H](CNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)Oc1cccc(C(F)(F)F)c1 ZINC001435433406 1064754730 /nfs/dbraw/zinc/75/47/30/1064754730.db2.gz ATQBWLIFBVFEDZ-CTNGQTDRSA-N 1 2 452.542 4.769 20 0 JJADLO CC[NH+](CC)Cc1nc(C2(NC(=O)c3cncc(-c4ccc(Cl)cc4)c3)CCCC2)no1 ZINC001435435333 1064755743 /nfs/dbraw/zinc/75/57/43/1064755743.db2.gz RUVCBHKZKFPJLX-UHFFFAOYSA-N 1 2 453.974 4.826 20 0 JJADLO CC(C)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001359983262 1064759931 /nfs/dbraw/zinc/75/99/31/1064759931.db2.gz VAQKYRXSTLUSEH-DHIUTWEWSA-N 1 2 450.631 4.582 20 0 JJADLO CC(C)CN(c1nnc([C@@H](C)Oc2ccccc2F)n1CC(C)(C)[NH+]1CCOCC1)C(C)C ZINC001359983812 1064761584 /nfs/dbraw/zinc/76/15/84/1064761584.db2.gz ZCQKEZOCRFABNH-HXUWFJFHSA-N 1 2 461.626 4.539 20 0 JJADLO CC(C)CN(c1nnc(-c2ccc(Br)s2)n1C[C@@H](C)[NH+]1CCOCC1)C1CCCC1 ZINC001359985961 1064765449 /nfs/dbraw/zinc/76/54/49/1064765449.db2.gz SROUVHVSNBEZGL-QGZVFWFLSA-N 1 2 496.519 4.895 20 0 JJADLO CC(C)CN(c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(N2CCCC2)[nH+]c1)C(C)C ZINC001359985985 1064765904 /nfs/dbraw/zinc/76/59/04/1064765904.db2.gz UCDBHDAGIFNHNQ-UHFFFAOYSA-N 1 2 454.022 4.908 20 0 JJADLO CC(C)CN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](C)[NH+]1CCOCC1)C1CCCC1 ZINC001359990111 1064771675 /nfs/dbraw/zinc/77/16/75/1064771675.db2.gz JLDLRAKIAQMQSH-HXUWFJFHSA-N 1 2 460.066 4.648 20 0 JJADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C1(c2cccc(Br)c2)CCCCC1 ZINC001435498864 1064791168 /nfs/dbraw/zinc/79/11/68/1064791168.db2.gz WXVCSUVBXBYNFX-UHFFFAOYSA-N 1 2 458.400 4.830 20 0 JJADLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccnc(OC2CCCCC2)c1 ZINC001435626941 1064888836 /nfs/dbraw/zinc/88/88/36/1064888836.db2.gz VXOPMPAJZJAQEW-CJFMBICVSA-N 1 2 450.627 4.869 20 0 JJADLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccnc(OC2CCCCC2)c1 ZINC001435626941 1064888845 /nfs/dbraw/zinc/88/88/45/1064888845.db2.gz VXOPMPAJZJAQEW-CJFMBICVSA-N 1 2 450.627 4.869 20 0 JJADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)c(C)c1 ZINC001435635703 1064897326 /nfs/dbraw/zinc/89/73/26/1064897326.db2.gz AUOLLESACSNSHN-QFIPXVFZSA-N 1 2 450.489 4.923 20 0 JJADLO CCc1ccccc1-n1cc(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)nn1 ZINC001435669427 1064922242 /nfs/dbraw/zinc/92/22/42/1064922242.db2.gz OAKXBYYJCQLKTH-UHFFFAOYSA-N 1 2 458.393 4.531 20 0 JJADLO CC(C)CSCCn1c(-c2ccccc2Cl)nnc1N1CC[C@@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001360082844 1064942867 /nfs/dbraw/zinc/94/28/67/1064942867.db2.gz NUHNDJWNPVNJFW-OAQYLSRUSA-N 1 2 491.149 4.592 20 0 JJADLO CC(C)CSCCn1c(-c2ccc[nH]2)nnc1N1CC[NH+]([C@H](C)c2ccc(F)cc2F)CC1 ZINC001360083930 1064946065 /nfs/dbraw/zinc/94/60/65/1064946065.db2.gz VXEJBVGTAXORMI-GOSISDBHSA-N 1 2 474.625 4.824 20 0 JJADLO CC(C)CSCCn1c([C@H]2CCCOC2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001360085633 1064948340 /nfs/dbraw/zinc/94/83/40/1064948340.db2.gz FYCMANCXXQCNBM-NRFANRHFSA-N 1 2 478.106 4.537 20 0 JJADLO Cc1nc(-c2ccccc2C)sc1C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC001435744574 1064968881 /nfs/dbraw/zinc/96/88/81/1064968881.db2.gz BDDHFJMIFJECAQ-SFTDATJTSA-N 1 2 456.011 4.882 20 0 JJADLO Cc1nc(-c2ccccc2C)sc1C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC001435744574 1064968886 /nfs/dbraw/zinc/96/88/86/1064968886.db2.gz BDDHFJMIFJECAQ-SFTDATJTSA-N 1 2 456.011 4.882 20 0 JJADLO COc1cc(CNC(=O)C[C@H](C)n2cc[nH+]c2)cc(Br)c1OCc1ccccc1 ZINC001435745353 1064969875 /nfs/dbraw/zinc/96/98/75/1064969875.db2.gz HFXDKKKGSPOXCI-INIZCTEOSA-N 1 2 458.356 4.501 20 0 JJADLO O=C(NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1)c1ccccc1C[NH+]1CCOCC1 ZINC001435906761 1065056269 /nfs/dbraw/zinc/05/62/69/1065056269.db2.gz MUQBGERXZGYCAK-UHFFFAOYSA-N 1 2 452.904 4.653 20 0 JJADLO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4F)o3)cc2Br)CC1 ZINC001435915234 1065061227 /nfs/dbraw/zinc/06/12/27/1065061227.db2.gz FDWIIENYMHPNNZ-UHFFFAOYSA-N 1 2 458.331 4.852 20 0 JJADLO C[C@H](CC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1)c1ccc(F)cc1F ZINC001435915252 1065061433 /nfs/dbraw/zinc/06/14/33/1065061433.db2.gz FOBIOCXVKLCDDH-CQSZACIVSA-N 1 2 452.343 4.611 20 0 JJADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cc(C)n(-c3ccccc3Cl)n2)[C@H](C)C1 ZINC001436018881 1065116737 /nfs/dbraw/zinc/11/67/37/1065116737.db2.gz HDHJMMBHKSNEDE-LJQANCHMSA-N 1 2 452.986 4.579 20 0 JJADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cc(C)n(-c3ccccc3Cl)n2)[C@H](C)C1 ZINC001436018881 1065116742 /nfs/dbraw/zinc/11/67/42/1065116742.db2.gz HDHJMMBHKSNEDE-LJQANCHMSA-N 1 2 452.986 4.579 20 0 JJADLO C[C@@H]1CCCC[C@H]1CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(I)cc1 ZINC001436049257 1065143100 /nfs/dbraw/zinc/14/31/00/1065143100.db2.gz YBDHBAWMQWGFTB-KPFFTGBYSA-N 1 2 454.396 4.588 20 0 JJADLO C[C@@H]1CCCC[C@H]1CC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(I)cc1 ZINC001436049257 1065143107 /nfs/dbraw/zinc/14/31/07/1065143107.db2.gz YBDHBAWMQWGFTB-KPFFTGBYSA-N 1 2 454.396 4.588 20 0 JJADLO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C)CC2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001545896044 1065243479 /nfs/dbraw/zinc/24/34/79/1065243479.db2.gz KJSATCMFJOCMMR-NRFANRHFSA-N 1 2 481.689 4.647 20 0 JJADLO COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)Cn3c(C)[nH+]c4cc(F)c(F)cc43)s2)cc1 ZINC001360383849 1065246258 /nfs/dbraw/zinc/24/62/58/1065246258.db2.gz GMDDYXIROVFHJW-GFCCVEGCSA-N 1 2 456.518 4.941 20 0 JJADLO C[C@H](c1ccc(F)cc1F)N1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001360437645 1065319352 /nfs/dbraw/zinc/31/93/52/1065319352.db2.gz NDULOGMSUDNKHU-LJQANCHMSA-N 1 2 497.638 4.537 20 0 JJADLO Cc1nn(C)c2nc(C)cc(C(=O)N3CC[N@@H+](Cc4ccc(Cl)cc4)C[C@@H]3CC(C)C)c12 ZINC001436510170 1065338338 /nfs/dbraw/zinc/33/83/38/1065338338.db2.gz GGYOWXBKXXOIMV-NRFANRHFSA-N 1 2 454.018 4.611 20 0 JJADLO Cc1nn(C)c2nc(C)cc(C(=O)N3CC[N@H+](Cc4ccc(Cl)cc4)C[C@@H]3CC(C)C)c12 ZINC001436510170 1065338346 /nfs/dbraw/zinc/33/83/46/1065338346.db2.gz GGYOWXBKXXOIMV-NRFANRHFSA-N 1 2 454.018 4.611 20 0 JJADLO CC(C)(C)OC(=O)N1CC[NH+](CCOc2ccccc2NC(=O)C2CCC3(CC3)CC2)CC1 ZINC001436607540 1065396901 /nfs/dbraw/zinc/39/69/01/1065396901.db2.gz BJAVEPZJPZWACY-UHFFFAOYSA-N 1 2 457.615 4.527 20 0 JJADLO C[C@H](CN(C)c1nnc(C(C)(C)C)n1Cc1cc[nH+]c(N2CCCCC2)c1)c1nccs1 ZINC001360519533 1065487316 /nfs/dbraw/zinc/48/73/16/1065487316.db2.gz OTCGAYHZFIDQLT-GOSISDBHSA-N 1 2 453.660 4.706 20 0 JJADLO O=C(Cc1ccc2c(c1)CCCC2)N(CCCn1cc[nH+]c1)c1ccc(Br)cn1 ZINC001436988382 1065488735 /nfs/dbraw/zinc/48/87/35/1065488735.db2.gz MWVLPLCSTVBDLU-UHFFFAOYSA-N 1 2 453.384 4.585 20 0 JJADLO C[C@H](c1cccs1)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001360542256 1065531563 /nfs/dbraw/zinc/53/15/63/1065531563.db2.gz ZBIBKFJXOOCDSD-LSDHHAIUSA-N 1 2 496.500 4.749 20 0 JJADLO C[C@@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC001360584498 1065584146 /nfs/dbraw/zinc/58/41/46/1065584146.db2.gz WVAILOUTHPANOB-ZWKOTPCHSA-N 1 2 496.483 4.757 20 0 JJADLO COc1cc(OC)c2c(c1)N(C(=O)[C@H](c1cccc(Br)c1)[NH+]1CCCC1)CCC2 ZINC001437692182 1065592135 /nfs/dbraw/zinc/59/21/35/1065592135.db2.gz JFNXWBGIIJVIKW-QFIPXVFZSA-N 1 2 459.384 4.583 20 0 JJADLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)c3ccc(Oc4ccc(F)c(F)c4)cc3)C2)c1 ZINC001438560589 1065730962 /nfs/dbraw/zinc/73/09/62/1065730962.db2.gz COFAYYIJKGCOAQ-QHCPKHFHSA-N 1 2 452.501 4.696 20 0 JJADLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)c3ccc(Oc4ccc(F)c(F)c4)cc3)C2)c1 ZINC001438560589 1065730976 /nfs/dbraw/zinc/73/09/76/1065730976.db2.gz COFAYYIJKGCOAQ-QHCPKHFHSA-N 1 2 452.501 4.696 20 0 JJADLO O=C(Nc1cccc(C(=O)NCCN(Cc2ccccc2)c2cccc[nH+]2)c1)c1cccs1 ZINC001439108514 1065787269 /nfs/dbraw/zinc/78/72/69/1065787269.db2.gz GAFJPGZZCFZQBR-UHFFFAOYSA-N 1 2 456.571 4.832 20 0 JJADLO O=C(Nc1cccc([C@@H]2CCCC(=O)N2)c1)[C@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001439317234 1065814487 /nfs/dbraw/zinc/81/44/87/1065814487.db2.gz AYWBVUUPGMSNMH-UNMCSNQZSA-N 1 2 456.384 4.566 20 0 JJADLO CC(C)[C@H]1CCCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001360757920 1065821202 /nfs/dbraw/zinc/82/12/02/1065821202.db2.gz KBSFMAJIXMBFOH-HKBOAZHASA-N 1 2 476.065 4.665 20 0 JJADLO CC(C)[C@H]1CCCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001360757920 1065821215 /nfs/dbraw/zinc/82/12/15/1065821215.db2.gz KBSFMAJIXMBFOH-HKBOAZHASA-N 1 2 476.065 4.665 20 0 JJADLO CC(C)[C@@H]1CCCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001360757921 1065821347 /nfs/dbraw/zinc/82/13/47/1065821347.db2.gz KBSFMAJIXMBFOH-PCCBWWKXSA-N 1 2 476.065 4.665 20 0 JJADLO CC(C)[C@@H]1CCCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001360757921 1065821366 /nfs/dbraw/zinc/82/13/66/1065821366.db2.gz KBSFMAJIXMBFOH-PCCBWWKXSA-N 1 2 476.065 4.665 20 0 JJADLO C[C@H](Oc1ccccc1F)c1nnc(N(C)CC2CCCCC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001360764878 1065846070 /nfs/dbraw/zinc/84/60/70/1065846070.db2.gz GXRLMTIHOSOIML-FQEVSTJZSA-N 1 2 473.637 4.685 20 0 JJADLO C[C@H](Oc1ccccc1F)c1nnc(N(C)CC2CCCCC2)n1CC[N@H+]1CCOCC1(C)C ZINC001360764878 1065846096 /nfs/dbraw/zinc/84/60/96/1065846096.db2.gz GXRLMTIHOSOIML-FQEVSTJZSA-N 1 2 473.637 4.685 20 0 JJADLO C[C@]1(Br)C[C@H]1C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC001440648567 1065958515 /nfs/dbraw/zinc/95/85/15/1065958515.db2.gz CTOCCIHYXFILBO-JXFKEZNVSA-N 1 2 453.833 4.886 20 0 JJADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)c2ccc(Oc3ccc(C(C)=O)cc3)cc2)CC1 ZINC001440653670 1065959030 /nfs/dbraw/zinc/95/90/30/1065959030.db2.gz XUGKIVWKTTYAQW-UHFFFAOYSA-N 1 2 458.558 4.957 20 0 JJADLO CCOc1ccccc1OCCCC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001440710464 1065969676 /nfs/dbraw/zinc/96/96/76/1065969676.db2.gz OPYQAGAPAICUCQ-UHFFFAOYSA-N 1 2 450.501 4.608 20 0 JJADLO Cc1[nH]c(=O)c(C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1-c1ccccc1 ZINC001440713497 1065969952 /nfs/dbraw/zinc/96/99/52/1065969952.db2.gz XKIBRXRBYYCYIH-UHFFFAOYSA-N 1 2 455.480 4.739 20 0 JJADLO CC1=C(Br)CN(c2nnc(Cc3ccsc3)n2CCCNc2cccc[nH+]2)CC1 ZINC001360853862 1065971190 /nfs/dbraw/zinc/97/11/90/1065971190.db2.gz LRKOCDZYJTYIBM-UHFFFAOYSA-N 1 2 473.444 4.707 20 0 JJADLO Cc1ccccc1Cc1nnc(N2CCC(C)=C(Br)C2)n1CCCNc1cccc[nH+]1 ZINC001360854142 1065972786 /nfs/dbraw/zinc/97/27/86/1065972786.db2.gz QKEKFHNURJYMMV-UHFFFAOYSA-N 1 2 481.442 4.954 20 0 JJADLO CCOc1ccc(C[NH+]2CCN(C(=O)c3cc(NC(=O)OC(C)(C)C)ccc3C)CC2)cc1 ZINC001440740159 1065974056 /nfs/dbraw/zinc/97/40/56/1065974056.db2.gz YUTMAMGKLPDKJU-UHFFFAOYSA-N 1 2 453.583 4.699 20 0 JJADLO COc1ccc(C[N@@H+]2CCCN(C(=O)c3ccccc3C(=O)c3ccc(C)c(C)c3)CC2)cc1 ZINC001440871885 1065986933 /nfs/dbraw/zinc/98/69/33/1065986933.db2.gz UISKMHFOMYYLSV-UHFFFAOYSA-N 1 2 456.586 4.891 20 0 JJADLO COc1ccc(C[N@H+]2CCCN(C(=O)c3ccccc3C(=O)c3ccc(C)c(C)c3)CC2)cc1 ZINC001440871885 1065986943 /nfs/dbraw/zinc/98/69/43/1065986943.db2.gz UISKMHFOMYYLSV-UHFFFAOYSA-N 1 2 456.586 4.891 20 0 JJADLO O=C(c1ccccc1O)N1CC[NH+](Cc2ccc(-c3cccc(Br)c3)s2)CC1 ZINC001441038379 1066002686 /nfs/dbraw/zinc/00/26/86/1066002686.db2.gz MKZWMXSUEYAFIP-UHFFFAOYSA-N 1 2 457.393 4.841 20 0 JJADLO C[C@@H](C(=O)N1CC[NH+](Cc2ccc(-c3ccc(Br)cc3)s2)CC1)n1cccc1 ZINC001441103953 1066007989 /nfs/dbraw/zinc/00/79/89/1066007989.db2.gz URZHJCVEKMLHLU-KRWDZBQOSA-N 1 2 458.425 4.885 20 0 JJADLO Cc1cccc(O[C@@H](C)c2nnc(N3CCCCCCC3)n2CC[N@@H+]2CCOCC2(C)C)c1C ZINC001360873825 1066010734 /nfs/dbraw/zinc/01/07/34/1066010734.db2.gz IICWMCGKQQZNPX-QHCPKHFHSA-N 1 2 469.674 4.916 20 0 JJADLO Cc1cccc(O[C@@H](C)c2nnc(N3CCCCCCC3)n2CC[N@H+]2CCOCC2(C)C)c1C ZINC001360873825 1066010747 /nfs/dbraw/zinc/01/07/47/1066010747.db2.gz IICWMCGKQQZNPX-QHCPKHFHSA-N 1 2 469.674 4.916 20 0 JJADLO Cc1cccc(O[C@@H](C)c2nnc(N3CCC(OC(C)(C)C)CC3)n2CC[N@@H+]2CCOC[C@H]2C)c1C ZINC001360874511 1066013998 /nfs/dbraw/zinc/01/39/98/1066013998.db2.gz QEMKCNBLIYIHKX-GGAORHGYSA-N 1 2 499.700 4.540 20 0 JJADLO Cc1cccc(O[C@@H](C)c2nnc(N3CCC(OC(C)(C)C)CC3)n2CC[N@H+]2CCOC[C@H]2C)c1C ZINC001360874511 1066014008 /nfs/dbraw/zinc/01/40/08/1066014008.db2.gz QEMKCNBLIYIHKX-GGAORHGYSA-N 1 2 499.700 4.540 20 0 JJADLO O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001441318250 1066026946 /nfs/dbraw/zinc/02/69/46/1066026946.db2.gz JUCGMLFKFQPHAQ-FYINFDKHSA-N 1 2 470.894 4.914 20 0 JJADLO CN(C)c1ccc([NH+]2CCC(NC(=O)CCCc3ccc(Br)s3)CC2)cc1 ZINC001360880509 1066033693 /nfs/dbraw/zinc/03/36/93/1066033693.db2.gz DKQAEYZWPYLLJV-UHFFFAOYSA-N 1 2 450.446 4.685 20 0 JJADLO Cc1cccc(O[C@H](C)c2nnc(N3CCC(C)=C(C)C3)n2CC[N@@H+]2CCOCC2(C)C)c1C ZINC001360882949 1066036271 /nfs/dbraw/zinc/03/62/71/1066036271.db2.gz FJXXUYHXSJFGNK-HSZRJFAPSA-N 1 2 467.658 4.692 20 0 JJADLO Cc1cccc(O[C@H](C)c2nnc(N3CCC(C)=C(C)C3)n2CC[N@H+]2CCOCC2(C)C)c1C ZINC001360882949 1066036282 /nfs/dbraw/zinc/03/62/82/1066036282.db2.gz FJXXUYHXSJFGNK-HSZRJFAPSA-N 1 2 467.658 4.692 20 0 JJADLO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC(C)=C(C)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001360883657 1066037268 /nfs/dbraw/zinc/03/72/68/1066037268.db2.gz WCKPIVINWDKIEU-YADHBBJMSA-N 1 2 488.076 4.956 20 0 JJADLO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC(C)=C(C)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001360883650 1066037486 /nfs/dbraw/zinc/03/74/86/1066037486.db2.gz WCKPIVINWDKIEU-FGZHOGPDSA-N 1 2 488.076 4.956 20 0 JJADLO CCCn1ncc(C(=O)NC[C@@H](c2ccc(SC)cc2)[N@@H+]2CCc3sccc3C2)c1C ZINC001441476017 1066045103 /nfs/dbraw/zinc/04/51/03/1066045103.db2.gz SEGYECXGJRMDJN-QFIPXVFZSA-N 1 2 454.665 4.914 20 0 JJADLO CCCn1ncc(C(=O)NC[C@@H](c2ccc(SC)cc2)[N@H+]2CCc3sccc3C2)c1C ZINC001441476017 1066045110 /nfs/dbraw/zinc/04/51/10/1066045110.db2.gz SEGYECXGJRMDJN-QFIPXVFZSA-N 1 2 454.665 4.914 20 0 JJADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cc2sc(N(CC)CC)nc2s1 ZINC001360906661 1066060782 /nfs/dbraw/zinc/06/07/82/1066060782.db2.gz VSTUNVUXBPRTLN-UHFFFAOYSA-N 1 2 457.669 4.978 20 0 JJADLO CCN(C(=O)[C@@H](C)[C@H]1OCCc2sccc21)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001360906600 1066060892 /nfs/dbraw/zinc/06/08/92/1066060892.db2.gz HOGWEUATOBRYLL-FDDCHVKYSA-N 1 2 456.656 4.737 20 0 JJADLO O=C(Nc1ncc(Cc2ccc(Br)cc2)s1)c1cc(-n2cc[nH+]c2)ccc1O ZINC001441752194 1066067665 /nfs/dbraw/zinc/06/76/65/1066067665.db2.gz RIRSYXNYOYIGLK-UHFFFAOYSA-N 1 2 455.337 4.640 20 0 JJADLO Cc1ncsc1CN(C)c1nnc(CC(C)(C)C)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001360944474 1066099360 /nfs/dbraw/zinc/09/93/60/1066099360.db2.gz XVQKVAHUXJYOCN-UHFFFAOYSA-N 1 2 467.687 4.948 20 0 JJADLO Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(NC(=O)[C@H](CC(C)C)n3cc[nH+]c3)cc2Cl)n1 ZINC001442301642 1066114066 /nfs/dbraw/zinc/11/40/66/1066114066.db2.gz ISNFYWFZMUWTNZ-UTKZUKDTSA-N 1 2 456.978 4.775 20 0 JJADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)c1cc(-c2ccccc2)ccc1Cl ZINC001442332043 1066117085 /nfs/dbraw/zinc/11/70/85/1066117085.db2.gz QSZKJRDMCMOKCJ-UHFFFAOYSA-N 1 2 450.966 4.648 20 0 JJADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)c1csc(-c2ccc(Cl)cc2)c1 ZINC001442362194 1066120260 /nfs/dbraw/zinc/12/02/60/1066120260.db2.gz CNDWABMLYOVENW-UHFFFAOYSA-N 1 2 456.995 4.710 20 0 JJADLO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)CC[NH+]2CCOCC2)n1CCC(C)(F)F ZINC001360990284 1066167261 /nfs/dbraw/zinc/16/72/61/1066167261.db2.gz RYZCFOFNIJLVHP-SFHVURJKSA-N 1 2 486.007 4.502 20 0 JJADLO O=C(CCOc1ccc(Cl)cc1Br)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001454255068 1066258538 /nfs/dbraw/zinc/25/85/38/1066258538.db2.gz DUNDBYHVKCWPKN-KRWDZBQOSA-N 1 2 458.183 4.698 20 0 JJADLO COc1cccc([C@H]2CN(C(=O)[C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)CC[NH2+]2)c1 ZINC001454479567 1066290613 /nfs/dbraw/zinc/29/06/13/1066290613.db2.gz WKWNKNRJFBXIDL-VWNXMTODSA-N 1 2 454.929 4.781 20 0 JJADLO Cc1cc(CN(C)c2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2ccc(N(C)C)[nH+]c2)no1 ZINC001361054889 1066291940 /nfs/dbraw/zinc/29/19/40/1066291940.db2.gz JQMNCQABRMOUNU-UHFFFAOYSA-N 1 2 459.598 4.685 20 0 JJADLO CCOc1cc(Br)c(CC(=O)Nc2ccc(-n3cc[nH+]c3)c(C)c2)cc1OCC ZINC001443309083 1066293597 /nfs/dbraw/zinc/29/35/97/1066293597.db2.gz FTGDVHDZOWNZDA-UHFFFAOYSA-N 1 2 458.356 4.922 20 0 JJADLO Cc1nn(-c2ccc(C(=O)Nc3ccc(-n4cc[nH+]c4)c(C)c3)cc2)c(C)c1Br ZINC001443309469 1066293862 /nfs/dbraw/zinc/29/38/62/1066293862.db2.gz GVTSPOVHRLCSPH-UHFFFAOYSA-N 1 2 450.340 4.998 20 0 JJADLO Cc1cc(NC(=O)[C@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)ccc1-n1cc[nH+]c1 ZINC001443310795 1066293930 /nfs/dbraw/zinc/29/39/30/1066293930.db2.gz ILFJERFFEFICDR-FDDCHVKYSA-N 1 2 454.933 4.910 20 0 JJADLO COc1ccc(CCCCC(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)cc1OC ZINC001443386842 1066304955 /nfs/dbraw/zinc/30/49/55/1066304955.db2.gz OBUGNYMWZDMAQB-UHFFFAOYSA-N 1 2 450.583 4.918 20 0 JJADLO O=C(NCCCCNc1cccc[nH+]1)[C@@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1 ZINC001443407224 1066307188 /nfs/dbraw/zinc/30/71/88/1066307188.db2.gz LLWGGEXVTAURGN-SQHAQQRYSA-N 1 2 456.590 4.570 20 0 JJADLO O=C(Cc1ccc(O)c(Cl)c1)N1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC001454597897 1066307638 /nfs/dbraw/zinc/30/76/38/1066307638.db2.gz BOWQYRPPBDXRIN-UHFFFAOYSA-N 1 2 450.966 4.512 20 0 JJADLO O=C(c1ccnc(C(F)(F)F)c1)N1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC001454600420 1066308490 /nfs/dbraw/zinc/30/84/90/1066308490.db2.gz OCKFWDUZVYMCML-UHFFFAOYSA-N 1 2 455.480 4.637 20 0 JJADLO C[NH+]1CCN(c2ccnc(NC(=O)[C@@H](Sc3cc(F)ccc3F)c3ccccc3)c2)CC1 ZINC001454649894 1066314245 /nfs/dbraw/zinc/31/42/45/1066314245.db2.gz NSRYNFFSKFCEEF-QHCPKHFHSA-N 1 2 454.546 4.584 20 0 JJADLO C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC001454657008 1066316855 /nfs/dbraw/zinc/31/68/55/1066316855.db2.gz DHXZDYAAPNAALH-XLIONFOSSA-N 1 2 453.384 4.776 20 0 JJADLO CC[C@]1(C)CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCNc2cccc[nH+]2)C1 ZINC001546064844 1066326769 /nfs/dbraw/zinc/32/67/69/1066326769.db2.gz XIVWAJGQJQRMBF-OAQYLSRUSA-N 1 2 458.408 4.559 20 0 JJADLO O=C(Nc1ccc([C@H](O)C(F)(F)F)cc1)[C@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001454766355 1066331548 /nfs/dbraw/zinc/33/15/48/1066331548.db2.gz IERDWXFHLCMTQV-ROUUACIJSA-N 1 2 457.290 4.820 20 0 JJADLO O=C(Nc1ccc([C@@H](O)C(F)(F)F)cc1)[C@@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001454766350 1066331740 /nfs/dbraw/zinc/33/17/40/1066331740.db2.gz IERDWXFHLCMTQV-QZTJIDSGSA-N 1 2 457.290 4.820 20 0 JJADLO O=C(C[C@@H]1CCc2sccc2C1=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC001443636687 1066342431 /nfs/dbraw/zinc/34/24/31/1066342431.db2.gz XPQJVPQYQYINJH-INIZCTEOSA-N 1 2 459.974 4.991 20 0 JJADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC001443672387 1066347531 /nfs/dbraw/zinc/34/75/31/1066347531.db2.gz HCLBMXKMIWPDML-PZJWPPBQSA-N 1 2 453.505 4.591 20 0 JJADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC001443677829 1066348382 /nfs/dbraw/zinc/34/83/82/1066348382.db2.gz SDHWGQQGNHDZFM-UHFFFAOYSA-N 1 2 453.493 4.828 20 0 JJADLO Cc1cc(N2CCN(c3nnc(-c4ccc[nH]4)n3CCCC(C)(C)C)CC2)nc(C(C)C)[nH+]1 ZINC001361105861 1066354777 /nfs/dbraw/zinc/35/47/77/1066354777.db2.gz ZZUKCQFRXJFOPK-UHFFFAOYSA-N 1 2 450.635 4.648 20 0 JJADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3cc4ccccc4cc3NC(=O)C(C)C)CC2)c1 ZINC001443726889 1066357810 /nfs/dbraw/zinc/35/78/10/1066357810.db2.gz FQSGHCOFIFOQTQ-HXUWFJFHSA-N 1 2 459.590 4.962 20 0 JJADLO C[C@H]1CCN(C(=O)C[N@H+](CCNC(=O)OC(C)(C)C)Cc2ccccc2)[C@H](c2ccco2)C1 ZINC001361114852 1066366473 /nfs/dbraw/zinc/36/64/73/1066366473.db2.gz SNAVBLGAWBMMFL-UNMCSNQZSA-N 1 2 455.599 4.606 20 0 JJADLO C[C@H]1CCN(C(=O)C[N@@H+](CCNC(=O)OC(C)(C)C)Cc2ccccc2)[C@H](c2ccco2)C1 ZINC001361114852 1066366487 /nfs/dbraw/zinc/36/64/87/1066366487.db2.gz SNAVBLGAWBMMFL-UNMCSNQZSA-N 1 2 455.599 4.606 20 0 JJADLO O=C(NCc1cc(F)ccc1Oc1ccc(F)c(Cl)c1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001455258327 1066376388 /nfs/dbraw/zinc/37/63/88/1066376388.db2.gz ORZRUATZRXMIRH-NRFANRHFSA-N 1 2 450.913 4.670 20 0 JJADLO O=C(NCc1cc(F)ccc1Oc1ccc(F)c(Cl)c1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001455258327 1066376408 /nfs/dbraw/zinc/37/64/08/1066376408.db2.gz ORZRUATZRXMIRH-NRFANRHFSA-N 1 2 450.913 4.670 20 0 JJADLO Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@@H](C)OC(C)(C)C3)n2Cc2ccc(N(C)C)[nH+]c2)c1 ZINC001361125807 1066380298 /nfs/dbraw/zinc/38/02/98/1066380298.db2.gz DYDPQFWVUSFCHM-OAQYLSRUSA-N 1 2 492.668 4.802 20 0 JJADLO O=C(N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)c1ccc(OCc2ccccn2)cc1 ZINC001443888323 1066381306 /nfs/dbraw/zinc/38/13/06/1066381306.db2.gz NBMFFMFICIASEH-NRFANRHFSA-N 1 2 453.945 4.848 20 0 JJADLO O=C(N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)c1ccc(OCc2ccccn2)cc1 ZINC001443888323 1066381326 /nfs/dbraw/zinc/38/13/26/1066381326.db2.gz NBMFFMFICIASEH-NRFANRHFSA-N 1 2 453.945 4.848 20 0 JJADLO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@H](CC(C)C)C3)n2C[C@@H](C)[NH+]2CCOCC2)c1 ZINC001361126245 1066383003 /nfs/dbraw/zinc/38/30/03/1066383003.db2.gz OZILTCXQUJJYFJ-RPWUZVMVSA-N 1 2 483.701 4.882 20 0 JJADLO CC(C)n1cnc2ccc(CNC(=O)[C@@H](c3cccc(Br)c3)[NH+]3CCCC3)cc21 ZINC001455393370 1066385814 /nfs/dbraw/zinc/38/58/14/1066385814.db2.gz GTJBMIHNRGSVJH-JOCHJYFZSA-N 1 2 455.400 4.833 20 0 JJADLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)C2(c3cc(OC)cc(OC)c3)CCCC2)CC1 ZINC001455454266 1066392123 /nfs/dbraw/zinc/39/21/23/1066392123.db2.gz JDMUGMKZPMEYLB-RUZDIDTESA-N 1 2 454.586 4.950 20 0 JJADLO Cc1ccc(-c2nnc(N(C)CCC(F)(F)F)n2C[C@@H](c2ccc(C)cc2)[NH+]2CCOCC2)o1 ZINC001361137175 1066412389 /nfs/dbraw/zinc/41/23/89/1066412389.db2.gz YGBKAQBOTHSLKW-FQEVSTJZSA-N 1 2 477.531 4.617 20 0 JJADLO Cc1ccc([C@@H](Cn2c(CC(C)(C)C)nnc2N2CCS[C@H](C(C)C)C2)[NH+]2CCOCC2)cc1 ZINC001361139494 1066415129 /nfs/dbraw/zinc/41/51/29/1066415129.db2.gz KQUMDADFJNYWMM-RPWUZVMVSA-N 1 2 485.742 4.826 20 0 JJADLO Cc1ccc(C)c(OCc2nnc(N(C)CC[NH+]3CCOCC3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC001361148944 1066438206 /nfs/dbraw/zinc/43/82/06/1066438206.db2.gz CHWLUNUKVGDQSD-NHCUHLMSSA-N 1 2 495.590 4.536 20 0 JJADLO CCc1ccc(C[NH+]2CCN(C(=O)[C@]34CCN(C(=O)OC(C)(C)C)[C@H]3CCCC4)CC2)s1 ZINC001444334480 1066451289 /nfs/dbraw/zinc/45/12/89/1066451289.db2.gz BDPBJNAVAFHIIG-SQJMNOBHSA-N 1 2 461.672 4.525 20 0 JJADLO CN(Cc1cc(F)ccc1Oc1ccc(Br)cc1)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001455930704 1066453202 /nfs/dbraw/zinc/45/32/02/1066453202.db2.gz VTHSSJUWSNOWPX-OAHLLOKOSA-N 1 2 458.331 4.798 20 0 JJADLO CCCCNc1nc(CC(=O)N(CC)C2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cs1 ZINC001444486280 1066465776 /nfs/dbraw/zinc/46/57/76/1066465776.db2.gz RKDWPQHFJBSKCC-UHFFFAOYSA-N 1 2 458.676 4.637 20 0 JJADLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@@H](OCC1CCCC1)c1ccccc1 ZINC001361172750 1066490081 /nfs/dbraw/zinc/49/00/81/1066490081.db2.gz JGYIYTHDQWXZTL-HOFKKMOUSA-N 1 2 450.623 4.684 20 0 JJADLO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC001361173084 1066490709 /nfs/dbraw/zinc/49/07/09/1066490709.db2.gz NCZPSBSCBAFIOA-QZTJIDSGSA-N 1 2 451.394 4.510 20 0 JJADLO CC[C@@]1(C)CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001546079973 1066520647 /nfs/dbraw/zinc/52/06/47/1066520647.db2.gz XULRPKJODCMSOJ-ZBLYBZFDSA-N 1 2 469.674 4.502 20 0 JJADLO CC[C@@]1(C)CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001546079973 1066520658 /nfs/dbraw/zinc/52/06/58/1066520658.db2.gz XULRPKJODCMSOJ-ZBLYBZFDSA-N 1 2 469.674 4.502 20 0 JJADLO C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)Oc1ccccc1Br ZINC001445341098 1066559598 /nfs/dbraw/zinc/55/95/98/1066559598.db2.gz YLOBIMPDUPZPBN-DNVCBOLYSA-N 1 2 451.792 4.651 20 0 JJADLO C[C@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)Oc1ccccc1Br ZINC001445341098 1066559609 /nfs/dbraw/zinc/55/96/09/1066559609.db2.gz YLOBIMPDUPZPBN-DNVCBOLYSA-N 1 2 451.792 4.651 20 0 JJADLO O=C(c1cc2cc(Br)cc(Br)c2o1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001445343770 1066560229 /nfs/dbraw/zinc/56/02/29/1066560229.db2.gz BWJSKGOGDKHJDX-UHFFFAOYSA-N 1 2 453.134 4.701 20 0 JJADLO O=C(c1cc2cc(Br)cc(Br)c2o1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001445343770 1066560243 /nfs/dbraw/zinc/56/02/43/1066560243.db2.gz BWJSKGOGDKHJDX-UHFFFAOYSA-N 1 2 453.134 4.701 20 0 JJADLO Cc1ccc(CCn2c(CC(C)C)nnc2N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc1 ZINC001361243865 1066585688 /nfs/dbraw/zinc/58/56/88/1066585688.db2.gz WIADGAWOMVNKDJ-UHFFFAOYSA-N 1 2 461.658 4.576 20 0 JJADLO Cc1ccc(CN(C)c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H](C)[NH+]2CCOCC2)s1 ZINC001361247801 1066590488 /nfs/dbraw/zinc/59/04/88/1066590488.db2.gz BGAXWZLFUKQKOV-HKUYNNGSSA-N 1 2 490.073 4.799 20 0 JJADLO Cc1ccc(CN(C)c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)s1 ZINC001361255124 1066602925 /nfs/dbraw/zinc/60/29/25/1066602925.db2.gz HMGRYTWIOMKEKP-SFHVURJKSA-N 1 2 468.671 4.541 20 0 JJADLO CCN(C(=O)c1csc(-c2ccccn2)n1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001456683562 1066665921 /nfs/dbraw/zinc/66/59/21/1066665921.db2.gz DQLDUROOXMAOAS-UHFFFAOYSA-N 1 2 450.612 4.558 20 0 JJADLO CC(C)(C)OC(=O)N1C[C@H](C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)c2ccccc21 ZINC001446298752 1066687683 /nfs/dbraw/zinc/68/76/83/1066687683.db2.gz JBEAOJJRMZXBIL-NRFANRHFSA-N 1 2 450.583 4.617 20 0 JJADLO Cc1cn2c([nH+]1)[C@@H](Cn1c(COc3ccc(Cl)cc3)nnc1N(C)CCOC(C)(C)C)CCC2 ZINC001492628852 1066700873 /nfs/dbraw/zinc/70/08/73/1066700873.db2.gz ODZIWPHEUBUOEE-LJQANCHMSA-N 1 2 487.048 4.844 20 0 JJADLO CC(C)(C)OC(=O)N1CCC[C@]2(CCCCN2C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC001457204416 1066789315 /nfs/dbraw/zinc/78/93/15/1066789315.db2.gz WKAXHVKBQSBJHK-QFQXNSOFSA-N 1 2 452.599 4.714 20 0 JJADLO CC(=O)CCc1ccc(OCc2cccc(C(=O)NCCc3cn4cccc(C)c4[nH+]3)c2)cc1 ZINC001457212034 1066791720 /nfs/dbraw/zinc/79/17/20/1066791720.db2.gz YHVQNYWJZKHBJV-UHFFFAOYSA-N 1 2 455.558 4.716 20 0 JJADLO CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)NCCc2cn(Cc3ccc(Cl)cc3)c[nH+]2)c1 ZINC001457268238 1066800292 /nfs/dbraw/zinc/80/02/92/1066800292.db2.gz NYIMKUAQZXEPJD-UHFFFAOYSA-N 1 2 456.949 4.681 20 0 JJADLO Cc1c(C(=O)NCCc2cn(Cc3ccc(Cl)cc3)c[nH+]2)cnn1-c1ccc(Cl)cc1 ZINC001457363848 1066817025 /nfs/dbraw/zinc/81/70/25/1066817025.db2.gz MLWZEZQCTOCGSM-UHFFFAOYSA-N 1 2 454.361 4.705 20 0 JJADLO Cc1nc(Cc2nnc(N3CCC[C@@H](C)CC3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)cs1 ZINC001492679202 1066821385 /nfs/dbraw/zinc/82/13/85/1066821385.db2.gz WTQCSSYZHWBJIR-IIBYNOLFSA-N 1 2 474.625 4.841 20 0 JJADLO Cc1ncc(C[NH+]2CCN(c3nnc(C(C)C)n3Cc3ccc(OCC(C)C)cc3)CC2)s1 ZINC001492701882 1066859353 /nfs/dbraw/zinc/85/93/53/1066859353.db2.gz KAZYKYLPHYRYCX-UHFFFAOYSA-N 1 2 468.671 4.572 20 0 JJADLO Cc1ncc(C[NH+]2CCN(c3nnc(C(C)C)n3C[C@H]3C[C@@H](OC(C)(C)C)C3(C)C)CC2)s1 ZINC001492701944 1066860023 /nfs/dbraw/zinc/86/00/23/1066860023.db2.gz MGQGJJWXIWWHOU-TZIWHRDSSA-N 1 2 474.719 4.718 20 0 JJADLO C[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1c(F)cccc1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC001457711002 1066902118 /nfs/dbraw/zinc/90/21/18/1066902118.db2.gz OHUJCRFSNPRFEU-VFNWGFHPSA-N 1 2 456.493 4.594 20 0 JJADLO C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c1c(F)cccc1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC001457711005 1066902156 /nfs/dbraw/zinc/90/21/56/1066902156.db2.gz OHUJCRFSNPRFEU-YCRPNKLZSA-N 1 2 456.493 4.594 20 0 JJADLO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3ccco3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)n1 ZINC001492732120 1066903651 /nfs/dbraw/zinc/90/36/51/1066903651.db2.gz JMEJGUBUEDFLHC-NQIIRXRSSA-N 1 2 483.567 4.511 20 0 JJADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cn(-c3ccc(Cl)cc3)nc2C)[C@H](C)C1 ZINC001448237971 1066914184 /nfs/dbraw/zinc/91/41/84/1066914184.db2.gz RXFNJQQYGRKLPR-GOSISDBHSA-N 1 2 452.986 4.579 20 0 JJADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cn(-c3ccc(Cl)cc3)nc2C)[C@H](C)C1 ZINC001448237971 1066914190 /nfs/dbraw/zinc/91/41/90/1066914190.db2.gz RXFNJQQYGRKLPR-GOSISDBHSA-N 1 2 452.986 4.579 20 0 JJADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)C[C@H](NC(N)=O)c1cccc(Oc2ccccc2)c1 ZINC001457784129 1066919010 /nfs/dbraw/zinc/91/90/10/1066919010.db2.gz XVWSFARMAOPPJG-QHCPKHFHSA-N 1 2 455.518 4.916 20 0 JJADLO CCc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)[C@H](CC(C)C)n2cc[nH+]c2)cc1 ZINC001448354224 1066919032 /nfs/dbraw/zinc/91/90/32/1066919032.db2.gz MKKAQNYDSHMZKW-GOTSBHOMSA-N 1 2 454.615 4.853 20 0 JJADLO Cc1cn(C(C)(C)C(=O)N2CCN(c3cccc(OCc4ccccc4Cl)c3)CC2)c[nH+]1 ZINC001457820507 1066927979 /nfs/dbraw/zinc/92/79/79/1066927979.db2.gz LPJLHYZWXBYQSY-UHFFFAOYSA-N 1 2 452.986 4.508 20 0 JJADLO O=C(Cc1c(F)ccc(Br)c1F)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC001448500598 1066933762 /nfs/dbraw/zinc/93/37/62/1066933762.db2.gz DXUBLENHVLTNES-ZDUSSCGKSA-N 1 2 452.343 4.714 20 0 JJADLO O=C(Cc1c(F)ccc(Br)c1F)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC001448500598 1066933772 /nfs/dbraw/zinc/93/37/72/1066933772.db2.gz DXUBLENHVLTNES-ZDUSSCGKSA-N 1 2 452.343 4.714 20 0 JJADLO COc1ccc(-c2ncc(C(=O)N3C[C@@H](C)[N@H+](Cc4ccccc4)C[C@H]3C)s2)cc1OC ZINC001457997870 1066954754 /nfs/dbraw/zinc/95/47/54/1066954754.db2.gz IKECOIVDRKCNLK-QZTJIDSGSA-N 1 2 451.592 4.562 20 0 JJADLO COc1ccc(-c2ncc(C(=O)N3C[C@@H](C)[N@@H+](Cc4ccccc4)C[C@H]3C)s2)cc1OC ZINC001457997870 1066954768 /nfs/dbraw/zinc/95/47/68/1066954768.db2.gz IKECOIVDRKCNLK-QZTJIDSGSA-N 1 2 451.592 4.562 20 0 JJADLO COc1cc(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)cc(OC)c1Br ZINC001458057253 1066963534 /nfs/dbraw/zinc/96/35/34/1066963534.db2.gz RBUOCVPRSISTGH-UHFFFAOYSA-N 1 2 454.324 4.634 20 0 JJADLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(-c2c(F)cccc2F)no1 ZINC001458154564 1066990344 /nfs/dbraw/zinc/99/03/44/1066990344.db2.gz OBFBFBCMAMOHJK-AOMKIAJQSA-N 1 2 454.521 4.696 20 0 JJADLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(-c2c(F)cccc2F)no1 ZINC001458154564 1066990354 /nfs/dbraw/zinc/99/03/54/1066990354.db2.gz OBFBFBCMAMOHJK-AOMKIAJQSA-N 1 2 454.521 4.696 20 0 JJADLO Cc1ccc(C)c(N2CCN(C(=O)[C@H](c3ccc(Br)cc3)[NH+]3CCCC3)CC2)c1 ZINC001458160019 1066992704 /nfs/dbraw/zinc/99/27/04/1066992704.db2.gz BHSLEKYEIXGRGS-QHCPKHFHSA-N 1 2 456.428 4.552 20 0 JJADLO COc1cccc(OCC[NH+]2CCN(C(=O)C(C)(C)c3ccc(-c4ccccc4)cc3)CC2)c1 ZINC001458160460 1066993038 /nfs/dbraw/zinc/99/30/38/1066993038.db2.gz KPIHJMLWGCVNNB-UHFFFAOYSA-N 1 2 458.602 4.863 20 0 JJADLO C[C@H]1CCCC[C@@H]1OCC(=O)N1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC001458173422 1066996448 /nfs/dbraw/zinc/99/64/48/1066996448.db2.gz OZZYGBANLRBXRX-OZXSUGGESA-N 1 2 450.623 4.532 20 0 JJADLO Cn1ccc(C(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)c1-c1ccccc1 ZINC001449323649 1066999194 /nfs/dbraw/zinc/99/91/94/1066999194.db2.gz ZJCVSTRCSGBGEP-UHFFFAOYSA-N 1 2 453.340 4.587 20 0 JJADLO CC[C@H](c1nnc(N2CCC[C@H](CNC(C)=O)C2)n1CCCc1cccc(C)[nH+]1)c1ccccc1 ZINC001545746359 1067014234 /nfs/dbraw/zinc/01/42/34/1067014234.db2.gz NQBRRQPDWWTZQC-BVAGGSTKSA-N 1 2 474.653 4.509 20 0 JJADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(NCc3cnc(C)cc3C)c2c1C ZINC001458427995 1067058549 /nfs/dbraw/zinc/05/85/49/1067058549.db2.gz JDTYFPLQABFJNB-UHFFFAOYSA-N 1 2 453.612 4.786 20 0 JJADLO CC(C)[C@@H](O)[C@@H](Nc1[nH+]cnc2c1cnn2-c1cccc(Br)c1)c1ccccc1 ZINC001458505384 1067077433 /nfs/dbraw/zinc/07/74/33/1067077433.db2.gz RZAJUEBNHWPJFC-VQTJNVASSA-N 1 2 452.356 4.748 20 0 JJADLO CCC(CC)(Cn1c(Cc2ccccc2OC)nnc1N1CCN(c2cccc[nH+]2)CC1)SC ZINC001545789643 1067086324 /nfs/dbraw/zinc/08/63/24/1067086324.db2.gz OGHZAJOCHJNUSC-UHFFFAOYSA-N 1 2 480.682 4.521 20 0 JJADLO CCOC(=O)c1nc(NCCN(Cc2ccccc2)c2cccc[nH+]2)ccc1Br ZINC001458571511 1067089896 /nfs/dbraw/zinc/08/98/96/1067089896.db2.gz FNYUGQBEJWMFML-UHFFFAOYSA-N 1 2 455.356 4.535 20 0 JJADLO CCC(CC)[C@@H](CCn1c(-c2ccccc2C)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1)OC ZINC001545798376 1067099896 /nfs/dbraw/zinc/09/98/96/1067099896.db2.gz JYZFDHIKNABOLV-XMMPIXPASA-N 1 2 477.657 4.520 20 0 JJADLO C[C@@H](Nc1[nH+]cnc2c1cnn2-c1cccc(Br)c1)c1cc(F)ccc1N(C)C ZINC001458736195 1067126204 /nfs/dbraw/zinc/12/62/04/1067126204.db2.gz WOFFECMSQVHEAP-CYBMUJFWSA-N 1 2 455.335 4.956 20 0 JJADLO CC(C)c1ccccc1-n1c(=O)c2ccc(Cl)cc2nc1SCC[N@@H+]1CCOC[C@@H]1C ZINC001458742122 1067128757 /nfs/dbraw/zinc/12/87/57/1067128757.db2.gz HBSXZQZCDYOAKE-KRWDZBQOSA-N 1 2 458.027 4.975 20 0 JJADLO CC(C)c1ccccc1-n1c(=O)c2ccc(Cl)cc2nc1SCC[N@H+]1CCOC[C@@H]1C ZINC001458742122 1067128768 /nfs/dbraw/zinc/12/87/68/1067128768.db2.gz HBSXZQZCDYOAKE-KRWDZBQOSA-N 1 2 458.027 4.975 20 0 JJADLO CC(C)(C)OC(=O)NC[C@H](C(=O)NCc1ccccc1Cn1cc[nH+]c1)C1CCCCCC1 ZINC001450852776 1067132537 /nfs/dbraw/zinc/13/25/37/1067132537.db2.gz YPGWYTLMWXVIKN-QHCPKHFHSA-N 1 2 454.615 4.659 20 0 JJADLO Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC001546103967 1067156128 /nfs/dbraw/zinc/15/61/28/1067156128.db2.gz CQVHGCNEEVPNBG-UHFFFAOYSA-N 1 2 458.031 4.842 20 0 JJADLO CCC(CC)NC(=O)c1nnc(N(C)C/C(C)=C\c2ccccc2)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001545831872 1067182133 /nfs/dbraw/zinc/18/21/33/1067182133.db2.gz AEQQXILTSFJKHR-OWFGXHLJSA-N 1 2 489.668 4.819 20 0 JJADLO CCC(CC)NC(=O)c1nnc(N(C)C/C(C)=C/c2ccccc2)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001545831875 1067182375 /nfs/dbraw/zinc/18/23/75/1067182375.db2.gz AEQQXILTSFJKHR-VVMUCNELSA-N 1 2 489.668 4.819 20 0 JJADLO CC(C)(C)OC(=O)N1Cc2cccc(NC(=O)[C@@H](c3ccccc3)[NH+]3CCSCC3)c2C1 ZINC001453159853 1067284900 /nfs/dbraw/zinc/28/49/00/1067284900.db2.gz AQERMSXONZOGGJ-JOCHJYFZSA-N 1 2 453.608 4.666 20 0 JJADLO CC(C)Cc1ccc(C(=O)C2CC[NH+](CC(=O)NCCOc3cccc(Cl)c3)CC2)cc1 ZINC001459307081 1067289332 /nfs/dbraw/zinc/28/93/32/1067289332.db2.gz ANXHRDQNPBGKQO-UHFFFAOYSA-N 1 2 457.014 4.628 20 0 JJADLO CCCCN(C)C(=O)C1CC[NH+](CC(=O)Nc2nc(-c3ccc(CCC)cc3)cs2)CC1 ZINC001459310349 1067290330 /nfs/dbraw/zinc/29/03/30/1067290330.db2.gz HTLLCQOPXXQZPF-UHFFFAOYSA-N 1 2 456.656 4.672 20 0 JJADLO CC(C)(C)SCCC[NH+]1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC001459310649 1067290354 /nfs/dbraw/zinc/29/03/54/1067290354.db2.gz MMCXHLPKFRVPHK-UHFFFAOYSA-N 1 2 458.999 4.587 20 0 JJADLO CCC1(CC)CCN(c2nnc(CC(C)C)n2C[C@@H](c2ccc(C)cc2)[NH+]2CCOCC2)C1 ZINC001546108415 1067303068 /nfs/dbraw/zinc/30/30/68/1067303068.db2.gz BCHXJBHFXWGZTA-DEOSSOPVSA-N 1 2 453.675 4.875 20 0 JJADLO CC(C)[N@H+](CC(=O)NCCOc1cccc(Cl)c1)Cc1cc(Br)ccc1F ZINC001459374324 1067306843 /nfs/dbraw/zinc/30/68/43/1067306843.db2.gz JYEVWHFKPFUSJX-UHFFFAOYSA-N 1 2 457.771 4.647 20 0 JJADLO CC(C)[N@@H+](CC(=O)NCCOc1cccc(Cl)c1)Cc1cc(Br)ccc1F ZINC001459374324 1067306853 /nfs/dbraw/zinc/30/68/53/1067306853.db2.gz JYEVWHFKPFUSJX-UHFFFAOYSA-N 1 2 457.771 4.647 20 0 JJADLO CCC1(CC)CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001546108450 1067308603 /nfs/dbraw/zinc/30/86/03/1067308603.db2.gz BQLPFOKFCFTOEL-GHTZIAJQSA-N 1 2 461.601 4.770 20 0 JJADLO COCC[N@H+](CC(=O)N(C)[C@@]1(c2ccccc2Cl)CCCCC1=O)[C@H](C)c1ccccc1 ZINC001459380614 1067308672 /nfs/dbraw/zinc/30/86/72/1067308672.db2.gz UIKCYGWLJTZJAH-FQRUVTKNSA-N 1 2 457.014 4.846 20 0 JJADLO COCC[N@@H+](CC(=O)N(C)[C@@]1(c2ccccc2Cl)CCCCC1=O)[C@H](C)c1ccccc1 ZINC001459380614 1067308681 /nfs/dbraw/zinc/30/86/81/1067308681.db2.gz UIKCYGWLJTZJAH-FQRUVTKNSA-N 1 2 457.014 4.846 20 0 JJADLO O=C(NCc1ccc(F)cc1)c1nnc(C[N@H+](CCc2ccccc2F)C2CCCC2)s1 ZINC001459394355 1067312070 /nfs/dbraw/zinc/31/20/70/1067312070.db2.gz QYTFSQQOHZFVHC-UHFFFAOYSA-N 1 2 456.562 4.734 20 0 JJADLO O=C(NCc1ccc(F)cc1)c1nnc(C[N@@H+](CCc2ccccc2F)C2CCCC2)s1 ZINC001459394355 1067312081 /nfs/dbraw/zinc/31/20/81/1067312081.db2.gz QYTFSQQOHZFVHC-UHFFFAOYSA-N 1 2 456.562 4.734 20 0 JJADLO COC(=O)c1ccc(Br)c(C[N@@H+]2CCCC[C@@H]2[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC001459412933 1067317209 /nfs/dbraw/zinc/31/72/09/1067317209.db2.gz CLXZBGFFHVXNJX-KBXCAEBGSA-N 1 2 455.393 4.503 20 0 JJADLO COC(=O)c1ccc(Br)c(C[N@H+]2CCCC[C@@H]2[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC001459412933 1067317222 /nfs/dbraw/zinc/31/72/22/1067317222.db2.gz CLXZBGFFHVXNJX-KBXCAEBGSA-N 1 2 455.393 4.503 20 0 JJADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)CCOc2cc(Cl)cc(Cl)c2)[C@H](C)C1 ZINC001459414701 1067318292 /nfs/dbraw/zinc/31/82/92/1067318292.db2.gz QILDEFJREVQREF-QGZVFWFLSA-N 1 2 451.394 4.894 20 0 JJADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)CCOc2cc(Cl)cc(Cl)c2)[C@H](C)C1 ZINC001459414701 1067318304 /nfs/dbraw/zinc/31/83/04/1067318304.db2.gz QILDEFJREVQREF-QGZVFWFLSA-N 1 2 451.394 4.894 20 0 JJADLO Cc1occc1C(=O)NC1CC[NH+](Cc2coc(-c3ccc(F)c(C(F)(F)F)c3)n2)CC1 ZINC001459415016 1067318579 /nfs/dbraw/zinc/31/85/79/1067318579.db2.gz HZIKJRBWTBWBDB-UHFFFAOYSA-N 1 2 451.420 4.795 20 0 JJADLO CCOC(=O)c1c(NC(=O)C[NH+]2CCC(COC)CC2)sc(Cl)c1-c1ccccc1 ZINC001459464222 1067330810 /nfs/dbraw/zinc/33/08/10/1067330810.db2.gz JMEKNGXDODEMIN-UHFFFAOYSA-N 1 2 450.988 4.542 20 0 JJADLO COc1ccc([C@H](CO)[N@H+](C)CC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)cc1 ZINC001459504943 1067340383 /nfs/dbraw/zinc/34/03/83/1067340383.db2.gz VDILQYDIFQGAPV-AWEZNQCLSA-N 1 2 452.165 4.913 20 0 JJADLO COc1ccc([C@H](CO)[N@@H+](C)CC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)cc1 ZINC001459504943 1067340391 /nfs/dbraw/zinc/34/03/91/1067340391.db2.gz VDILQYDIFQGAPV-AWEZNQCLSA-N 1 2 452.165 4.913 20 0 JJADLO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+]([C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)C1 ZINC001459571474 1067354715 /nfs/dbraw/zinc/35/47/15/1067354715.db2.gz BDZITCUMOLLVOE-UKRRQHHQSA-N 1 2 458.550 4.588 20 0 JJADLO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+]([C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)C1 ZINC001459571474 1067354728 /nfs/dbraw/zinc/35/47/28/1067354728.db2.gz BDZITCUMOLLVOE-UKRRQHHQSA-N 1 2 458.550 4.588 20 0 JJADLO Cc1ccc(N2CC[N@H+](CC(=O)Nc3cc(C(C)(C)C)nn3-c3ccccc3)[C@H](C)C2)cc1C ZINC001459612011 1067363811 /nfs/dbraw/zinc/36/38/11/1067363811.db2.gz VEDPZEQPIVHEID-JOCHJYFZSA-N 1 2 459.638 4.936 20 0 JJADLO Cc1ccc(N2CC[N@@H+](CC(=O)Nc3cc(C(C)(C)C)nn3-c3ccccc3)[C@H](C)C2)cc1C ZINC001459612011 1067363821 /nfs/dbraw/zinc/36/38/21/1067363821.db2.gz VEDPZEQPIVHEID-JOCHJYFZSA-N 1 2 459.638 4.936 20 0 JJADLO CCN(C[C@@H]1CC[N@H+](Cc2csc(N(C(C)=O)c3ccc(C)cc3)n2)C1)CC(F)(F)F ZINC001459627346 1067368031 /nfs/dbraw/zinc/36/80/31/1067368031.db2.gz CDKZWHFZWHTZJN-SFHVURJKSA-N 1 2 454.562 4.842 20 0 JJADLO CCN(C[C@@H]1CC[N@@H+](Cc2csc(N(C(C)=O)c3ccc(C)cc3)n2)C1)CC(F)(F)F ZINC001459627346 1067368046 /nfs/dbraw/zinc/36/80/46/1067368046.db2.gz CDKZWHFZWHTZJN-SFHVURJKSA-N 1 2 454.562 4.842 20 0 JJADLO C[C@]([NH2+]CC(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1)(C(N)=O)c1cccc(Cl)c1 ZINC001459705687 1067389289 /nfs/dbraw/zinc/38/92/89/1067389289.db2.gz HIKYRISZZBZEJF-HSZRJFAPSA-N 1 2 458.345 4.715 20 0 JJADLO COC(=O)[C@H](c1ccccc1)[N@H+](C)C[C@@H](O)c1ccc(-c2ccc(Br)cc2)cc1 ZINC001459710215 1067391215 /nfs/dbraw/zinc/39/12/15/1067391215.db2.gz OJNNQGHLGRVPBG-PKTZIBPZSA-N 1 2 454.364 4.996 20 0 JJADLO COC(=O)[C@H](c1ccccc1)[N@@H+](C)C[C@@H](O)c1ccc(-c2ccc(Br)cc2)cc1 ZINC001459710215 1067391230 /nfs/dbraw/zinc/39/12/30/1067391230.db2.gz OJNNQGHLGRVPBG-PKTZIBPZSA-N 1 2 454.364 4.996 20 0 JJADLO O=C(c1ccccc1OCc1ccccc1Br)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001459713525 1067392472 /nfs/dbraw/zinc/39/24/72/1067392472.db2.gz NOHRMEWKAMJEBG-LJQANCHMSA-N 1 2 453.336 4.717 20 0 JJADLO C[C@H](c1noc(-c2ccccc2)n1)[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC001459751580 1067406294 /nfs/dbraw/zinc/40/62/94/1067406294.db2.gz DLLRGBJPAYHQAM-OAHLLOKOSA-N 1 2 455.356 4.911 20 0 JJADLO O=C(NC[C@@H]1CCCN(c2ccccc2)C1)[C@@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001459753976 1067407276 /nfs/dbraw/zinc/40/72/76/1067407276.db2.gz HMBNYZCVCRGHND-WMZHIEFXSA-N 1 2 456.428 4.619 20 0 JJADLO COc1ccc2c(c1)C[N@@H+](CC(=O)NCc1ccc(OC(F)F)cc1)[C@H](c1ccccc1)C2 ZINC001459759635 1067410768 /nfs/dbraw/zinc/41/07/68/1067410768.db2.gz ICALGQVWWYKREQ-DEOSSOPVSA-N 1 2 452.501 4.712 20 0 JJADLO COc1ccc2c(c1)C[N@H+](CC(=O)NCc1ccc(OC(F)F)cc1)[C@H](c1ccccc1)C2 ZINC001459759635 1067410771 /nfs/dbraw/zinc/41/07/71/1067410771.db2.gz ICALGQVWWYKREQ-DEOSSOPVSA-N 1 2 452.501 4.712 20 0 JJADLO CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)C[N@H+](C)CCc1ccccn1 ZINC001459764566 1067413380 /nfs/dbraw/zinc/41/33/80/1067413380.db2.gz SCSFMJUTLTVCAV-UHFFFAOYSA-N 1 2 457.983 4.753 20 0 JJADLO CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)C[N@@H+](C)CCc1ccccn1 ZINC001459764566 1067413395 /nfs/dbraw/zinc/41/33/95/1067413395.db2.gz SCSFMJUTLTVCAV-UHFFFAOYSA-N 1 2 457.983 4.753 20 0 JJADLO O=C(C[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1)Nc1ccc(N2CCCCC2)cc1 ZINC001459787879 1067422094 /nfs/dbraw/zinc/42/20/94/1067422094.db2.gz MVDWSXOHKQFZMB-MRXNPFEDSA-N 1 2 452.546 4.970 20 0 JJADLO O=C(C[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1)Nc1ccc(N2CCCCC2)cc1 ZINC001459787879 1067422097 /nfs/dbraw/zinc/42/20/97/1067422097.db2.gz MVDWSXOHKQFZMB-MRXNPFEDSA-N 1 2 452.546 4.970 20 0 JJADLO C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[NH+]1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC001459798030 1067428245 /nfs/dbraw/zinc/42/82/45/1067428245.db2.gz RWHOGYUKCUOBAZ-RBUKOAKNSA-N 1 2 459.556 4.972 20 0 JJADLO C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@H+](C)Cc1cc(Br)cn1C ZINC001459811030 1067433323 /nfs/dbraw/zinc/43/33/23/1067433323.db2.gz XAHUUEHICNDTTM-SNVBAGLBSA-N 1 2 452.702 4.919 20 0 JJADLO C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@@H+](C)Cc1cc(Br)cn1C ZINC001459811030 1067433329 /nfs/dbraw/zinc/43/33/29/1067433329.db2.gz XAHUUEHICNDTTM-SNVBAGLBSA-N 1 2 452.702 4.919 20 0 JJADLO C[S@@](=O)C[C@H]([NH2+]Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)c1ccccc1 ZINC001459855780 1067459286 /nfs/dbraw/zinc/45/92/86/1067459286.db2.gz ZIXUCAWPWANRKZ-YVGXBJCXSA-N 1 2 458.008 4.927 20 0 JJADLO O[C@H](COc1cc(Cl)cc(Cl)c1)C[N@@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001459928386 1067495495 /nfs/dbraw/zinc/49/54/95/1067495495.db2.gz BPRSPMHNQLPMPN-PKOBYXMFSA-N 1 2 450.284 4.825 20 0 JJADLO O[C@H](COc1cc(Cl)cc(Cl)c1)C[N@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001459928386 1067495498 /nfs/dbraw/zinc/49/54/98/1067495498.db2.gz BPRSPMHNQLPMPN-PKOBYXMFSA-N 1 2 450.284 4.825 20 0 JJADLO C[C@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)CC[S@@](=O)C1 ZINC001459953691 1067505444 /nfs/dbraw/zinc/50/54/44/1067505444.db2.gz XLRGYCYFFHBVPI-YMGMXPECSA-N 1 2 458.425 4.502 20 0 JJADLO C[C@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)CC[S@@](=O)C1 ZINC001459953691 1067505453 /nfs/dbraw/zinc/50/54/53/1067505453.db2.gz XLRGYCYFFHBVPI-YMGMXPECSA-N 1 2 458.425 4.502 20 0 JJADLO Cc1ccc(-c2csc(NC(=O)C[NH+]3CCC(O)(Cc4cccc(F)c4)CC3)n2)cc1C ZINC001459994671 1067518808 /nfs/dbraw/zinc/51/88/08/1067518808.db2.gz LBXSTKNNDZKJJW-UHFFFAOYSA-N 1 2 453.583 4.574 20 0 JJADLO COc1ccccc1[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1CCN1CCCc2ccccc21 ZINC001460007535 1067524834 /nfs/dbraw/zinc/52/48/34/1067524834.db2.gz RWUPSJLJROIPAI-XMMPIXPASA-N 1 2 451.611 4.742 20 0 JJADLO COc1ccccc1[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1CCN1CCCc2ccccc21 ZINC001460007535 1067524846 /nfs/dbraw/zinc/52/48/46/1067524846.db2.gz RWUPSJLJROIPAI-XMMPIXPASA-N 1 2 451.611 4.742 20 0 JJADLO CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@H+](Cc2nc3scc(-c4ccco4)c3c(=O)[nH]2)C1 ZINC001460015609 1067528727 /nfs/dbraw/zinc/52/87/27/1067528727.db2.gz KDMRYBLCKLWVMA-HNNXBMFYSA-N 1 2 458.584 4.784 20 0 JJADLO CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@@H+](Cc2nc3scc(-c4ccco4)c3c(=O)[nH]2)C1 ZINC001460015609 1067528734 /nfs/dbraw/zinc/52/87/34/1067528734.db2.gz KDMRYBLCKLWVMA-HNNXBMFYSA-N 1 2 458.584 4.784 20 0 JJADLO CC(=O)NCC[N@@H+](Cc1ccc(Cl)cc1Cl)C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC001460022474 1067531854 /nfs/dbraw/zinc/53/18/54/1067531854.db2.gz HAAAPXOYMKWFPK-LJQANCHMSA-N 1 2 450.193 4.972 20 0 JJADLO CC(=O)NCC[N@H+](Cc1ccc(Cl)cc1Cl)C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC001460022474 1067531856 /nfs/dbraw/zinc/53/18/56/1067531856.db2.gz HAAAPXOYMKWFPK-LJQANCHMSA-N 1 2 450.193 4.972 20 0 JJADLO Cc1ccc(C[N@H+](CCCn2c(=O)[nH]c3ccccc32)C[C@@H]2CCCO2)c(Br)c1 ZINC001460031980 1067534529 /nfs/dbraw/zinc/53/45/29/1067534529.db2.gz DKZXCCQOBPATQO-IBGZPJMESA-N 1 2 458.400 4.884 20 0 JJADLO Cc1ccc(C[N@@H+](CCCn2c(=O)[nH]c3ccccc32)C[C@@H]2CCCO2)c(Br)c1 ZINC001460031980 1067534536 /nfs/dbraw/zinc/53/45/36/1067534536.db2.gz DKZXCCQOBPATQO-IBGZPJMESA-N 1 2 458.400 4.884 20 0 JJADLO Cc1ccc(C[N@@H+](Cc2cc(=O)oc3cc(O)ccc23)C[C@H]2CCCO2)c(Br)c1 ZINC001460032770 1067534940 /nfs/dbraw/zinc/53/49/40/1067534940.db2.gz GAZRXUCKBUMKBG-LJQANCHMSA-N 1 2 458.352 4.751 20 0 JJADLO Cc1ccc(C[N@H+](Cc2cc(=O)oc3cc(O)ccc23)C[C@H]2CCCO2)c(Br)c1 ZINC001460032770 1067534947 /nfs/dbraw/zinc/53/49/47/1067534947.db2.gz GAZRXUCKBUMKBG-LJQANCHMSA-N 1 2 458.352 4.751 20 0 JJADLO OC1(c2ccccc2C(F)(F)F)CC[NH+](Cc2nc3cc(Br)ccc3[nH]2)CC1 ZINC001460059837 1067541794 /nfs/dbraw/zinc/54/17/94/1067541794.db2.gz NMYTVYXANUOGSD-UHFFFAOYSA-N 1 2 454.290 4.828 20 0 JJADLO COc1ccc(-c2nc(C[N@@H+]3CCC[C@H]3COC(=O)NC3CCCCC3)cs2)c(OC)c1 ZINC001460072582 1067545912 /nfs/dbraw/zinc/54/59/12/1067545912.db2.gz SBTKHUCHXPJTRK-IBGZPJMESA-N 1 2 459.612 4.851 20 0 JJADLO COc1ccc(-c2nc(C[N@H+]3CCC[C@H]3COC(=O)NC3CCCCC3)cs2)c(OC)c1 ZINC001460072582 1067545917 /nfs/dbraw/zinc/54/59/17/1067545917.db2.gz SBTKHUCHXPJTRK-IBGZPJMESA-N 1 2 459.612 4.851 20 0 JJADLO CC(C)(C)c1ccc(S(=O)(=O)CC[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccccc2)cc1 ZINC001460087523 1067550735 /nfs/dbraw/zinc/55/07/35/1067550735.db2.gz BNIXIOHVCJTKTC-AREMUKBSSA-N 1 2 451.632 4.994 20 0 JJADLO CC(C)(C)c1ccc(S(=O)(=O)CC[N@H+](Cc2ccccc2)C[C@@H](O)c2ccccc2)cc1 ZINC001460087523 1067550743 /nfs/dbraw/zinc/55/07/43/1067550743.db2.gz BNIXIOHVCJTKTC-AREMUKBSSA-N 1 2 451.632 4.994 20 0 JJADLO Cc1cccc(Cn2[nH]ccc2=NC(=O)C[NH2+][C@H]2CCCCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC001460097172 1067554466 /nfs/dbraw/zinc/55/44/66/1067554466.db2.gz GALFCBZLZXVPLG-RPWUZVMVSA-N 1 2 451.014 4.960 20 0 JJADLO CC(C)C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1CC(=O)NCC1(c2ccccc2)CC1 ZINC001460169107 1067569300 /nfs/dbraw/zinc/56/93/00/1067569300.db2.gz IWZAFULOQWTUIQ-RUZDIDTESA-N 1 2 454.058 4.720 20 0 JJADLO CC(C)C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1CC(=O)NCC1(c2ccccc2)CC1 ZINC001460169107 1067569305 /nfs/dbraw/zinc/56/93/05/1067569305.db2.gz IWZAFULOQWTUIQ-RUZDIDTESA-N 1 2 454.058 4.720 20 0 JJADLO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](CC(=O)Nc3ccccc3Oc3ccccc3)CC[C@@H]21 ZINC001460184451 1067574197 /nfs/dbraw/zinc/57/41/97/1067574197.db2.gz XWVPOEQTKFUVAM-UGKGYDQZSA-N 1 2 451.567 4.749 20 0 JJADLO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](CC(=O)Nc3ccccc3Oc3ccccc3)CC[C@@H]21 ZINC001460184451 1067574202 /nfs/dbraw/zinc/57/42/02/1067574202.db2.gz XWVPOEQTKFUVAM-UGKGYDQZSA-N 1 2 451.567 4.749 20 0 JJADLO COc1cc2c(cc1NC(=O)C[N@@H+]1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1)oc1ccccc12 ZINC001460251711 1067591441 /nfs/dbraw/zinc/59/14/41/1067591441.db2.gz AOYDXFPQDYMQPT-IAGOWNOFSA-N 1 2 452.551 4.833 20 0 JJADLO COc1cc2c(cc1NC(=O)C[N@H+]1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1)oc1ccccc12 ZINC001460251711 1067591452 /nfs/dbraw/zinc/59/14/52/1067591452.db2.gz AOYDXFPQDYMQPT-IAGOWNOFSA-N 1 2 452.551 4.833 20 0 JJADLO CN(C)c1[nH+]ccc2cc(NC(=O)[C@H]3CCCN3C(=O)c3cc(Cl)cc(Cl)c3)ccc21 ZINC001460272256 1067594975 /nfs/dbraw/zinc/59/49/75/1067594975.db2.gz NQLJSXVIANPVEN-HXUWFJFHSA-N 1 2 457.361 4.851 20 0 JJADLO O=C(C[N@H+]1CCC[C@H]1Cc1cc(F)ccc1F)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC001460293106 1067600006 /nfs/dbraw/zinc/60/00/06/1067600006.db2.gz BMQOMURAVMMJED-FQEVSTJZSA-N 1 2 455.530 4.924 20 0 JJADLO O=C(C[N@@H+]1CCC[C@H]1Cc1cc(F)ccc1F)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC001460293106 1067600009 /nfs/dbraw/zinc/60/00/09/1067600009.db2.gz BMQOMURAVMMJED-FQEVSTJZSA-N 1 2 455.530 4.924 20 0 JJADLO COc1ccc(OC)c(-c2csc(NC(=O)C[N@@H+]3CCc4ccc(F)cc4[C@H](C)C3)n2)c1 ZINC001460337348 1067610871 /nfs/dbraw/zinc/61/08/71/1067610871.db2.gz WPMACJZDEBALMV-OAHLLOKOSA-N 1 2 455.555 4.567 20 0 JJADLO COc1ccc(OC)c(-c2csc(NC(=O)C[N@H+]3CCc4ccc(F)cc4[C@H](C)C3)n2)c1 ZINC001460337348 1067610877 /nfs/dbraw/zinc/61/08/77/1067610877.db2.gz WPMACJZDEBALMV-OAHLLOKOSA-N 1 2 455.555 4.567 20 0 JJADLO CC(C)(C)OC(=O)N1CCC(C2(C(=O)NCc3c(Cl)cccc3-n3cc[nH+]c3)CC2)CC1 ZINC001460350649 1067614522 /nfs/dbraw/zinc/61/45/22/1067614522.db2.gz VBPWXXKYNZKOEK-UHFFFAOYSA-N 1 2 458.990 4.569 20 0 JJADLO C[C@@H](C(=O)N1CCc2sccc2C1)[NH+]1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC001460352958 1067615110 /nfs/dbraw/zinc/61/51/10/1067615110.db2.gz FFTMWCAZJXTVPS-ZDUSSCGKSA-N 1 2 458.842 4.804 20 0 JJADLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH+]2CCC([C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)c1C ZINC001460404812 1067627816 /nfs/dbraw/zinc/62/78/16/1067627816.db2.gz DAZVZJRWSDMOKH-NQIIRXRSSA-N 1 2 459.631 4.764 20 0 JJADLO CCOC(=O)c1c2c(sc1NC(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](C)O[C@@H](C)C1)CCCC2 ZINC001460426780 1067632733 /nfs/dbraw/zinc/63/27/33/1067632733.db2.gz DVWOPLNPWKMLJF-IEGUWTFLSA-N 1 2 470.635 4.983 20 0 JJADLO CCOC(=O)c1c2c(sc1NC(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@@H](C)O[C@@H](C)C1)CCCC2 ZINC001460426780 1067632739 /nfs/dbraw/zinc/63/27/39/1067632739.db2.gz DVWOPLNPWKMLJF-IEGUWTFLSA-N 1 2 470.635 4.983 20 0 JJADLO O[C@]1(c2ccccc2)CCC[N@H+](CCOc2c(Br)cccc2Br)C1 ZINC001460427082 1067632769 /nfs/dbraw/zinc/63/27/69/1067632769.db2.gz FXXJUAFMHFJFFX-LJQANCHMSA-N 1 2 455.190 4.574 20 0 JJADLO O[C@]1(c2ccccc2)CCC[N@@H+](CCOc2c(Br)cccc2Br)C1 ZINC001460427082 1067632774 /nfs/dbraw/zinc/63/27/74/1067632774.db2.gz FXXJUAFMHFJFFX-LJQANCHMSA-N 1 2 455.190 4.574 20 0 JJADLO CC(C)C[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1ncccc1Br ZINC001460441056 1067635782 /nfs/dbraw/zinc/63/57/82/1067635782.db2.gz AQVRWZBFUNXXAX-SFHVURJKSA-N 1 2 450.808 4.870 20 0 JJADLO CC(C)C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1ncccc1Br ZINC001460441056 1067635788 /nfs/dbraw/zinc/63/57/88/1067635788.db2.gz AQVRWZBFUNXXAX-SFHVURJKSA-N 1 2 450.808 4.870 20 0 JJADLO CCc1cccc(C)c1NC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001460450028 1067636650 /nfs/dbraw/zinc/63/66/50/1067636650.db2.gz JWMTVDDQJFSAAH-MSOLQXFVSA-N 1 2 457.537 4.521 20 0 JJADLO CCc1cccc(C)c1NC(=O)C[N@H+]1CC[C@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001460450028 1067636654 /nfs/dbraw/zinc/63/66/54/1067636654.db2.gz JWMTVDDQJFSAAH-MSOLQXFVSA-N 1 2 457.537 4.521 20 0 JJADLO CC(C)(C)OC(=O)[C@H]1c2ccccc2CC[N@H+]1CCC(=O)Nc1cccc(Br)c1 ZINC001460474519 1067640540 /nfs/dbraw/zinc/64/05/40/1067640540.db2.gz CPBJWHVLTOBMAQ-OAQYLSRUSA-N 1 2 459.384 4.719 20 0 JJADLO CC(C)(C)OC(=O)[C@H]1c2ccccc2CC[N@@H+]1CCC(=O)Nc1cccc(Br)c1 ZINC001460474519 1067640548 /nfs/dbraw/zinc/64/05/48/1067640548.db2.gz CPBJWHVLTOBMAQ-OAQYLSRUSA-N 1 2 459.384 4.719 20 0 JJADLO O=C(C[NH2+][C@@H](CO)c1cccc(Cl)c1Cl)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC001460474723 1067640854 /nfs/dbraw/zinc/64/08/54/1067640854.db2.gz WBZGPKDFQALKKU-GMAHTHKFSA-N 1 2 455.385 4.791 20 0 JJADLO COC(=O)[C@@H]1CC[N@H+](CC(=O)N(Cc2ccc(F)cc2)c2nc(-c3ccccc3)cs2)C[C@@H]1C ZINC001460528116 1067651196 /nfs/dbraw/zinc/65/11/96/1067651196.db2.gz SENQZSUQNPJBEE-PGRDOPGGSA-N 1 2 481.593 4.613 20 0 JJADLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)N(Cc2ccc(F)cc2)c2nc(-c3ccccc3)cs2)C[C@@H]1C ZINC001460528116 1067651200 /nfs/dbraw/zinc/65/12/00/1067651200.db2.gz SENQZSUQNPJBEE-PGRDOPGGSA-N 1 2 481.593 4.613 20 0 JJADLO CCc1ccc([C@H](NC(=O)C[N@@H+]2C[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)c2cccs2)cc1 ZINC001460612232 1067671840 /nfs/dbraw/zinc/67/18/40/1067671840.db2.gz PVHONBCXWGBVSV-LLBVYWAGSA-N 1 2 457.640 4.504 20 0 JJADLO CCc1ccc([C@H](NC(=O)C[N@H+]2C[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)c2cccs2)cc1 ZINC001460612232 1067671847 /nfs/dbraw/zinc/67/18/47/1067671847.db2.gz PVHONBCXWGBVSV-LLBVYWAGSA-N 1 2 457.640 4.504 20 0 JJADLO Cc1nc(-c2cccc(NC(=O)C[N@@H+]3CCN(C(=O)OC(C)(C)C)CCC3(C)C)c2)cs1 ZINC001460653268 1067688288 /nfs/dbraw/zinc/68/82/88/1067688288.db2.gz VTDCPNGWVMWYCP-UHFFFAOYSA-N 1 2 458.628 4.778 20 0 JJADLO Cc1nc(-c2cccc(NC(=O)C[N@H+]3CCN(C(=O)OC(C)(C)C)CCC3(C)C)c2)cs1 ZINC001460653268 1067688291 /nfs/dbraw/zinc/68/82/91/1067688291.db2.gz VTDCPNGWVMWYCP-UHFFFAOYSA-N 1 2 458.628 4.778 20 0 JJADLO CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC001460662476 1067692531 /nfs/dbraw/zinc/69/25/31/1067692531.db2.gz UPMULTSJICVOHR-AKFKNWHVSA-N 1 2 459.606 4.647 20 0 JJADLO CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC001460662476 1067692532 /nfs/dbraw/zinc/69/25/32/1067692532.db2.gz UPMULTSJICVOHR-AKFKNWHVSA-N 1 2 459.606 4.647 20 0 JJADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1csc(Cc2cccc(C(F)(F)F)c2)n1 ZINC001460682118 1067700213 /nfs/dbraw/zinc/70/02/13/1067700213.db2.gz SDPSBOWMENQVHA-UHFFFAOYSA-N 1 2 456.493 4.928 20 0 JJADLO CC(C)(C)OC(=O)N1CC2(CCC2)[C@@H]1C1CC[NH+](Cc2sncc2Br)CC1 ZINC001460688985 1067702492 /nfs/dbraw/zinc/70/24/92/1067702492.db2.gz YADDZXDQQCBBPG-KRWDZBQOSA-N 1 2 456.450 4.907 20 0 JJADLO CC[C@H](c1ccc(F)cc1)N1CC[NH+](C[C@@](C)(O)c2ccc(Br)cc2F)CC1 ZINC001460731482 1067711554 /nfs/dbraw/zinc/71/15/54/1067711554.db2.gz OQKWYYDTXZWQRU-FGZHOGPDSA-N 1 2 453.371 4.704 20 0 JJADLO COC(=O)c1cccc(-c2nc(C[N@@H+]3CCCC[C@H]3CN(C)C(=O)OC(C)(C)C)cs2)c1 ZINC001460797688 1067725876 /nfs/dbraw/zinc/72/58/76/1067725876.db2.gz RYRFSMISDMHBQF-FQEVSTJZSA-N 1 2 459.612 4.818 20 0 JJADLO COC(=O)c1cccc(-c2nc(C[N@H+]3CCCC[C@H]3CN(C)C(=O)OC(C)(C)C)cs2)c1 ZINC001460797688 1067725884 /nfs/dbraw/zinc/72/58/84/1067725884.db2.gz RYRFSMISDMHBQF-FQEVSTJZSA-N 1 2 459.612 4.818 20 0 JJADLO Cc1nn(C)c(=O)c(-c2nc(C[NH+]3CCC(c4nc(C(C)(C)C)cs4)CC3)cs2)c1C ZINC001460805290 1067727540 /nfs/dbraw/zinc/72/75/40/1067727540.db2.gz CNUTVZMZPLMZHB-UHFFFAOYSA-N 1 2 457.669 4.654 20 0 JJADLO CCOC(=O)C1(C(F)(F)F)CC[NH+](Cc2c(C)cc(C)nc2OCc2ccccc2)CC1 ZINC001460861243 1067736381 /nfs/dbraw/zinc/73/63/81/1067736381.db2.gz RCSRBGZEBJMHJE-UHFFFAOYSA-N 1 2 450.501 4.985 20 0 JJADLO CC(C)(C)OC(=O)NC[C@H]1CCCC12CC[NH+](Cc1ncc(Br)cc1F)CC2 ZINC001460978999 1067756019 /nfs/dbraw/zinc/75/60/19/1067756019.db2.gz LFQBTVHZXMDFCM-OAHLLOKOSA-N 1 2 456.400 4.890 20 0 JJADLO CCOc1ccc(Oc2cc(C[NH2+]Cc3cn(-c4ccc(F)cc4Cl)nn3)ccn2)cc1 ZINC001461066855 1067775150 /nfs/dbraw/zinc/77/51/50/1067775150.db2.gz PRRCRGDQNLVAOB-UHFFFAOYSA-N 1 2 453.905 4.936 20 0 JJADLO CC[C@@H](C)[C@@H]([NH2+]Cc1ncc(Br)s1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001461148270 1067789558 /nfs/dbraw/zinc/78/95/58/1067789558.db2.gz IGYGCFDSEOQMCZ-AUUYWEPGSA-N 1 2 451.434 4.649 20 0 JJADLO COc1ccc(OCc2nc(C[NH2+][C@@H]3CCCN(c4ccccc4Cl)C3=O)cs2)cc1 ZINC001461234767 1067806585 /nfs/dbraw/zinc/80/65/85/1067806585.db2.gz RSQLLCPZNNEHFY-HXUWFJFHSA-N 1 2 457.983 4.669 20 0 JJADLO CC(C)(C)OC(=O)c1ccc(C[NH2+]Cc2ncc(Br)cc2Br)cc1 ZINC001461265918 1067814099 /nfs/dbraw/zinc/81/40/99/1067814099.db2.gz QWNPTSLHONAERP-UHFFFAOYSA-N 1 2 456.178 4.852 20 0 JJADLO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC001461439919 1067856897 /nfs/dbraw/zinc/85/68/97/1067856897.db2.gz HPGLXLLHSFMXLR-QFIPXVFZSA-N 1 2 454.347 4.695 20 0 JJADLO Cc1cc(C[NH2+]Cc2ncc(I)s2)cc(NC(=O)OC(C)(C)C)c1 ZINC001461500532 1067877305 /nfs/dbraw/zinc/87/73/05/1067877305.db2.gz NNBOKIBALSICEY-UHFFFAOYSA-N 1 2 459.353 4.693 20 0 JJADLO Cc1cc(C[NH2+]Cc2cc(Cl)ccc2I)ncc1Br ZINC001461625896 1067904505 /nfs/dbraw/zinc/90/45/05/1067904505.db2.gz BOZHEKJEYPNNAA-UHFFFAOYSA-N 1 2 451.533 4.700 20 0 JJADLO COc1cc(C[NH2+]Cc2cc(N(C)C)ccn2)cc(Br)c1OCc1ccccc1 ZINC001461764620 1067932663 /nfs/dbraw/zinc/93/26/63/1067932663.db2.gz VQCNOXWIDPEGFZ-UHFFFAOYSA-N 1 2 456.384 4.788 20 0 JJADLO Cc1cc(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)nn1-c1cccc(C(F)(F)F)c1 ZINC001461774380 1067934953 /nfs/dbraw/zinc/93/49/53/1067934953.db2.gz BQYRXBQVNNAAPF-FQEVSTJZSA-N 1 2 453.468 4.647 20 0 JJADLO Cc1ccc(C(=O)NC2CC[NH+](Cc3cc4c(cc(F)cc4Br)[nH]3)CC2)s1 ZINC001461890427 1067955436 /nfs/dbraw/zinc/95/54/36/1067955436.db2.gz ZFCJCSVQRZKJSD-UHFFFAOYSA-N 1 2 450.377 4.834 20 0 JJADLO Cc1nn(C)c(C[N@@H+]2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)c1Br ZINC001461928319 1067962339 /nfs/dbraw/zinc/96/23/39/1067962339.db2.gz RIDDMLGXUAANRT-MRXNPFEDSA-N 1 2 450.425 4.767 20 0 JJADLO Cc1nn(C)c(C[N@H+]2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)c1Br ZINC001461928319 1067962349 /nfs/dbraw/zinc/96/23/49/1067962349.db2.gz RIDDMLGXUAANRT-MRXNPFEDSA-N 1 2 450.425 4.767 20 0 JJADLO COc1cccc(C[NH+]2CCN(C(=O)C(C)(C)c3csc(-c4ccccc4F)n3)CC2)c1 ZINC001461937456 1067964456 /nfs/dbraw/zinc/96/44/56/1067964456.db2.gz JKXMSOGFOSTOJT-UHFFFAOYSA-N 1 2 453.583 4.580 20 0 JJADLO O=C(NC[C@@H]1CCC[N@H+](Cc2nc(Cl)ccc2Br)C1)Nc1cccc(F)c1 ZINC001461957798 1067968849 /nfs/dbraw/zinc/96/88/49/1067968849.db2.gz JHLUEPZFRHTLHU-ZDUSSCGKSA-N 1 2 455.759 4.670 20 0 JJADLO O=C(NC[C@@H]1CCC[N@@H+](Cc2nc(Cl)ccc2Br)C1)Nc1cccc(F)c1 ZINC001461957798 1067968855 /nfs/dbraw/zinc/96/88/55/1067968855.db2.gz JHLUEPZFRHTLHU-ZDUSSCGKSA-N 1 2 455.759 4.670 20 0 JJADLO COc1ccc(C[NH+]2CCN(c3cccc(OCc4ccc(F)cc4)c3)CC2)c(F)c1OC ZINC001461987030 1067975553 /nfs/dbraw/zinc/97/55/53/1067975553.db2.gz NSZDVVDMZKQUQE-UHFFFAOYSA-N 1 2 454.517 4.883 20 0 JJADLO CC[C@@H](C)NC(=O)CN1CC[NH+](Cc2ccccc2Oc2ccc(Cl)c(Cl)c2)CC1 ZINC001462014784 1067981472 /nfs/dbraw/zinc/98/14/72/1067981472.db2.gz LDSJKKPOCMFUDD-QGZVFWFLSA-N 1 2 450.410 4.818 20 0 JJADLO CC(C)(C)OC(=O)N[C@@H](C[NH+]1CCN(c2ccc(C(F)(F)F)cc2)CC1)CC(F)(F)F ZINC001462042276 1067987924 /nfs/dbraw/zinc/98/79/24/1067987924.db2.gz CKSWBVSBSDVNGH-OAHLLOKOSA-N 1 2 455.443 4.673 20 0 JJADLO COC(=O)c1ccc(C[N@H+](C)Cc2cc(OC)ccc2Br)cc1Br ZINC001462098522 1068001511 /nfs/dbraw/zinc/00/15/11/1068001511.db2.gz NRVXWXFOWGJXLB-UHFFFAOYSA-N 1 2 457.162 4.639 20 0 JJADLO COC(=O)c1ccc(C[N@@H+](C)Cc2cc(OC)ccc2Br)cc1Br ZINC001462098522 1068001526 /nfs/dbraw/zinc/00/15/26/1068001526.db2.gz NRVXWXFOWGJXLB-UHFFFAOYSA-N 1 2 457.162 4.639 20 0 JJADLO COCO[C@@H](C)c1cc(F)c(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)cc1Br ZINC001462127684 1068011267 /nfs/dbraw/zinc/01/12/67/1068011267.db2.gz NXNHDCGXLDFVSE-OYHNWAKOSA-N 1 2 450.348 4.901 20 0 JJADLO COCO[C@@H](C)c1cc(F)c(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)cc1Br ZINC001462127684 1068011276 /nfs/dbraw/zinc/01/12/76/1068011276.db2.gz NXNHDCGXLDFVSE-OYHNWAKOSA-N 1 2 450.348 4.901 20 0 JJADLO Cc1cc(Br)cn2c(CN(Cc3cnn(C)c3)Cc3ccc(Cl)cc3)c[nH+]c12 ZINC001462173189 1068022012 /nfs/dbraw/zinc/02/20/12/1068022012.db2.gz VQOWMJSBYZCTKO-UHFFFAOYSA-N 1 2 458.791 4.995 20 0 JJADLO C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCC[N@@H+]2Cc2cccc(I)c2)C1 ZINC001462224426 1068032491 /nfs/dbraw/zinc/03/24/91/1068032491.db2.gz GUHKPMRCMXNULV-APWZRJJASA-N 1 2 456.368 4.514 20 0 JJADLO C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCC[N@H+]2Cc2cccc(I)c2)C1 ZINC001462224426 1068032503 /nfs/dbraw/zinc/03/25/03/1068032503.db2.gz GUHKPMRCMXNULV-APWZRJJASA-N 1 2 456.368 4.514 20 0 JJADLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)CCc3cccc(OCc4ccccc4)c3)C2)cc1 ZINC001462241709 1068036459 /nfs/dbraw/zinc/03/64/59/1068036459.db2.gz JCYWUEICMLCBPG-MUUNZHRXSA-N 1 2 458.602 4.524 20 0 JJADLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)CCc3cccc(OCc4ccccc4)c3)C2)cc1 ZINC001462241709 1068036476 /nfs/dbraw/zinc/03/64/76/1068036476.db2.gz JCYWUEICMLCBPG-MUUNZHRXSA-N 1 2 458.602 4.524 20 0 JJADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)CCc3cccc(OCc4ccccc4)c3)C2)cc1 ZINC001462241712 1068036513 /nfs/dbraw/zinc/03/65/13/1068036513.db2.gz JCYWUEICMLCBPG-NDEPHWFRSA-N 1 2 458.602 4.524 20 0 JJADLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)CCc3cccc(OCc4ccccc4)c3)C2)cc1 ZINC001462241712 1068036525 /nfs/dbraw/zinc/03/65/25/1068036525.db2.gz JCYWUEICMLCBPG-NDEPHWFRSA-N 1 2 458.602 4.524 20 0 JJADLO CCN(Cc1ccccc1)c1ccc(C(=O)NC[C@H]2C[N@H+](Cc3ccc(C)cc3)CCO2)cc1 ZINC001462244515 1068037136 /nfs/dbraw/zinc/03/71/36/1068037136.db2.gz QZGWQGHWNCHMEP-NDEPHWFRSA-N 1 2 457.618 4.652 20 0 JJADLO CCN(Cc1ccccc1)c1ccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccc(C)cc3)CCO2)cc1 ZINC001462244515 1068037153 /nfs/dbraw/zinc/03/71/53/1068037153.db2.gz QZGWQGHWNCHMEP-NDEPHWFRSA-N 1 2 457.618 4.652 20 0 JJADLO CCc1c(Br)cc(C(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)cc1Br ZINC001462256942 1068039598 /nfs/dbraw/zinc/03/95/98/1068039598.db2.gz RZTLLPLQGJJMFW-GOSISDBHSA-N 1 2 452.190 4.691 20 0 JJADLO CCc1c(Br)cc(C(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)cc1Br ZINC001462256942 1068039611 /nfs/dbraw/zinc/03/96/11/1068039611.db2.gz RZTLLPLQGJJMFW-GOSISDBHSA-N 1 2 452.190 4.691 20 0 JJADLO Cn1c(C[N@H+]2C[C@@H](c3cccc(F)c3)[C@H](NC(=O)OC(C)(C)C)C2)nc2ccc(Cl)cc21 ZINC001462336021 1068053467 /nfs/dbraw/zinc/05/34/67/1068053467.db2.gz HRSBGMUUTXYPDZ-AZUAARDMSA-N 1 2 458.965 4.859 20 0 JJADLO Cn1c(C[N@@H+]2C[C@@H](c3cccc(F)c3)[C@H](NC(=O)OC(C)(C)C)C2)nc2ccc(Cl)cc21 ZINC001462336021 1068053480 /nfs/dbraw/zinc/05/34/80/1068053480.db2.gz HRSBGMUUTXYPDZ-AZUAARDMSA-N 1 2 458.965 4.859 20 0 JJADLO COc1ccc(C2CC[NH+](Cc3cc(Br)cc(Br)c3N)CC2)nc1 ZINC001462401336 1068066587 /nfs/dbraw/zinc/06/65/87/1068066587.db2.gz JOPIUNXAXWGNLZ-UHFFFAOYSA-N 1 2 455.194 4.577 20 0 JJADLO Clc1ccc(I)c(C[NH+]2CC(c3nc(-c4ccccc4)no3)C2)c1 ZINC001462602671 1068110200 /nfs/dbraw/zinc/11/02/00/1068110200.db2.gz GNMMCVWRUSDMID-UHFFFAOYSA-N 1 2 451.695 4.594 20 0 JJADLO C[C@@]1([NH2+]Cc2ncc(Br)cc2O)CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001462624061 1068115665 /nfs/dbraw/zinc/11/56/65/1068115665.db2.gz NWGILTIJTLCNSW-XUZZJYLKSA-N 1 2 452.396 4.698 20 0 JJADLO CN(C)c1nc(CNc2[nH+]c3ccccc3n2C)c(Cl)n1-c1ccc(Br)cc1 ZINC001462690423 1068132150 /nfs/dbraw/zinc/13/21/50/1068132150.db2.gz OZNQMNWQBKDFSB-UHFFFAOYSA-N 1 2 459.779 4.853 20 0 JJADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N[C@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)C1 ZINC001463427869 1068393944 /nfs/dbraw/zinc/39/39/44/1068393944.db2.gz SYYPRKURFXFERE-FQEVSTJZSA-N 1 2 458.933 4.776 20 0 JJADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N[C@H](c2ccc(Cl)c(C(F)(F)F)c2)C2CC2)C1 ZINC001463427869 1068393961 /nfs/dbraw/zinc/39/39/61/1068393961.db2.gz SYYPRKURFXFERE-FQEVSTJZSA-N 1 2 458.933 4.776 20 0 JJADLO CC(C)(C)c1ccc([C@@H](O)CCC(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)cc1 ZINC001463604081 1068462527 /nfs/dbraw/zinc/46/25/27/1068462527.db2.gz MRXSARBQOQGLTO-DEOSSOPVSA-N 1 2 459.030 4.674 20 0 JJADLO C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001463612795 1068466912 /nfs/dbraw/zinc/46/69/12/1068466912.db2.gz PWRSTPIBXSCPAE-SFHVURJKSA-N 1 2 456.011 4.592 20 0 JJADLO CCn1cccc1C(=O)N1CC[NH+](Cc2ccc(-c3ccc(Br)cc3)s2)CC1 ZINC001464044371 1068598601 /nfs/dbraw/zinc/59/86/01/1068598601.db2.gz XBBHYPDGCITUOR-UHFFFAOYSA-N 1 2 458.425 4.957 20 0 JJADLO Cc1nc(NCc2cccc(C(=O)Nc3ccccc3C(=O)N3C[C@H](C)C[C@H](C)C3)c2)cc[nH+]1 ZINC001464128136 1068625989 /nfs/dbraw/zinc/62/59/89/1068625989.db2.gz CTSBNLSOYMQHBF-KDURUIRLSA-N 1 2 457.578 4.768 20 0 JJADLO CSc1ccc([C@@H](CNC(=O)[C@H](C)c2c(C)n[nH]c2C)[N@@H+]2CCc3sccc3C2)cc1 ZINC001464199014 1068653505 /nfs/dbraw/zinc/65/35/05/1068653505.db2.gz FDBKVQAYJMYIFR-QVKFZJNVSA-N 1 2 454.665 4.829 20 0 JJADLO CSc1ccc([C@@H](CNC(=O)[C@H](C)c2c(C)n[nH]c2C)[N@H+]2CCc3sccc3C2)cc1 ZINC001464199014 1068653511 /nfs/dbraw/zinc/65/35/11/1068653511.db2.gz FDBKVQAYJMYIFR-QVKFZJNVSA-N 1 2 454.665 4.829 20 0 JJADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)CN(C(=O)OC(C)(C)C)c2ccccc2)C[C@H](C)O1 ZINC001464268509 1068682635 /nfs/dbraw/zinc/68/26/35/1068682635.db2.gz IMLDPZNDCCRJML-PMACEKPBSA-N 1 2 453.583 4.676 20 0 JJADLO COc1cccc(Oc2ccc(CNC(=O)[C@@H]3CCC[N@@H+]3Cc3ccc(Cl)cc3)cn2)c1 ZINC001464269718 1068682709 /nfs/dbraw/zinc/68/27/09/1068682709.db2.gz LFADQTUVMFVUFF-QHCPKHFHSA-N 1 2 451.954 4.817 20 0 JJADLO COc1cccc(Oc2ccc(CNC(=O)[C@@H]3CCC[N@H+]3Cc3ccc(Cl)cc3)cn2)c1 ZINC001464269718 1068682717 /nfs/dbraw/zinc/68/27/17/1068682717.db2.gz LFADQTUVMFVUFF-QHCPKHFHSA-N 1 2 451.954 4.817 20 0 JJADLO Cc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)cc1 ZINC001464374021 1068722222 /nfs/dbraw/zinc/72/22/22/1068722222.db2.gz CRBGMOYOPBHCFN-PXNSSMCTSA-N 1 2 458.628 4.888 20 0 JJADLO Cc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)cc1 ZINC001464374021 1068722235 /nfs/dbraw/zinc/72/22/35/1068722235.db2.gz CRBGMOYOPBHCFN-PXNSSMCTSA-N 1 2 458.628 4.888 20 0 JJADLO Cc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)cc1 ZINC001464374020 1068722370 /nfs/dbraw/zinc/72/23/70/1068722370.db2.gz CRBGMOYOPBHCFN-FXAWDEMLSA-N 1 2 458.628 4.888 20 0 JJADLO Cc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)cc1 ZINC001464374020 1068722388 /nfs/dbraw/zinc/72/23/88/1068722388.db2.gz CRBGMOYOPBHCFN-FXAWDEMLSA-N 1 2 458.628 4.888 20 0 JJADLO Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC001464481750 1068761819 /nfs/dbraw/zinc/76/18/19/1068761819.db2.gz YERDHQTXGYHUKL-OAHLLOKOSA-N 1 2 451.514 4.642 20 0 JJADLO Cc1cc(Cl)ncc1C(F)(F)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164420783 718890370 /nfs/dbraw/zinc/89/03/70/718890370.db2.gz VUSUNHREFZHOSR-CQSZACIVSA-N 1 2 457.706 4.576 20 0 JJADLO Cc1ccc(C(F)(F)N2CCO[C@H](c3[nH+]cn4c3cccc4Br)C2)nc1Cl ZINC001164417573 718890630 /nfs/dbraw/zinc/89/06/30/718890630.db2.gz LNMJDLWJOFJXDV-ZDUSSCGKSA-N 1 2 457.706 4.576 20 0 JJADLO FC(F)(N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1)C1(c2ccc(Cl)nc2)CC1 ZINC001164417251 718890816 /nfs/dbraw/zinc/89/08/16/718890816.db2.gz IONNWWKSHXNVRI-OAHLLOKOSA-N 1 2 483.744 4.843 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)nc3cc(F)ccc31)CC2 ZINC001164664465 719348285 /nfs/dbraw/zinc/34/82/85/719348285.db2.gz USOMPZRFVMYTMO-UHFFFAOYSA-N 1 2 456.569 4.772 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)nc3cc(F)ccc31)CC2 ZINC001164664465 719348288 /nfs/dbraw/zinc/34/82/88/719348288.db2.gz USOMPZRFVMYTMO-UHFFFAOYSA-N 1 2 456.569 4.772 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc(OCc3ccccc3)n1)CC2 ZINC001164663913 719349733 /nfs/dbraw/zinc/34/97/33/719349733.db2.gz PAZFNNAWGVZLEM-UHFFFAOYSA-N 1 2 480.616 4.750 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc(OCc3ccccc3)n1)CC2 ZINC001164663913 719349735 /nfs/dbraw/zinc/34/97/35/719349735.db2.gz PAZFNNAWGVZLEM-UHFFFAOYSA-N 1 2 480.616 4.750 20 0 JJADLO CCOc1cc(Cl)nc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@H+]3CC)c1 ZINC001164663526 719349912 /nfs/dbraw/zinc/34/99/12/719349912.db2.gz JQSYXHDCAYLFPA-UHFFFAOYSA-N 1 2 452.002 4.828 20 0 JJADLO CCOc1cc(Cl)nc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@@H+]3CC)c1 ZINC001164663526 719349916 /nfs/dbraw/zinc/34/99/16/719349916.db2.gz JQSYXHDCAYLFPA-UHFFFAOYSA-N 1 2 452.002 4.828 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(C(=O)OC(C)(C)C)cn1)CC2 ZINC001164664062 719350079 /nfs/dbraw/zinc/35/00/79/719350079.db2.gz PODXWEQYSFRDNO-UHFFFAOYSA-N 1 2 473.621 4.732 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(C(=O)OC(C)(C)C)cn1)CC2 ZINC001164664062 719350082 /nfs/dbraw/zinc/35/00/82/719350082.db2.gz PODXWEQYSFRDNO-UHFFFAOYSA-N 1 2 473.621 4.732 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)nc3cc(OC)c(OC)cc31)CC2 ZINC001164663764 719350672 /nfs/dbraw/zinc/35/06/72/719350672.db2.gz LOHOCGNUFAXXLV-UHFFFAOYSA-N 1 2 498.631 4.650 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)nc3cc(OC)c(OC)cc31)CC2 ZINC001164663764 719350675 /nfs/dbraw/zinc/35/06/75/719350675.db2.gz LOHOCGNUFAXXLV-UHFFFAOYSA-N 1 2 498.631 4.650 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3cccc(OC)c31)CC2 ZINC001164658402 719351205 /nfs/dbraw/zinc/35/12/05/719351205.db2.gz GGFNLLMWWGBIQM-UHFFFAOYSA-N 1 2 489.023 4.987 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3cccc(OC)c31)CC2 ZINC001164658402 719351208 /nfs/dbraw/zinc/35/12/08/719351208.db2.gz GGFNLLMWWGBIQM-UHFFFAOYSA-N 1 2 489.023 4.987 20 0 JJADLO CCOc1ccc2ncnc(N3CCC4(CC3)c3ncc(-c5ccccc5)n3CC[N@H+]4CC)c2c1 ZINC001164658045 719351222 /nfs/dbraw/zinc/35/12/22/719351222.db2.gz CBBJNBHUFPZGDR-UHFFFAOYSA-N 1 2 468.605 4.723 20 0 JJADLO CCOc1ccc2ncnc(N3CCC4(CC3)c3ncc(-c5ccccc5)n3CC[N@@H+]4CC)c2c1 ZINC001164658045 719351224 /nfs/dbraw/zinc/35/12/24/719351224.db2.gz CBBJNBHUFPZGDR-UHFFFAOYSA-N 1 2 468.605 4.723 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(SC)cnc1Cl)CC2 ZINC001164659795 719353356 /nfs/dbraw/zinc/35/33/56/719353356.db2.gz SCLGXQJNMYOQQB-UHFFFAOYSA-N 1 2 455.031 4.547 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(SC)cnc1Cl)CC2 ZINC001164659795 719353362 /nfs/dbraw/zinc/35/33/62/719353362.db2.gz SCLGXQJNMYOQQB-UHFFFAOYSA-N 1 2 455.031 4.547 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cnc(-c3ccccc3)cn1)CC2 ZINC001164659751 719353603 /nfs/dbraw/zinc/35/36/03/719353603.db2.gz RWLZLGUPDKYFHA-UHFFFAOYSA-N 1 2 450.590 4.838 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cnc(-c3ccccc3)cn1)CC2 ZINC001164659751 719353605 /nfs/dbraw/zinc/35/36/05/719353605.db2.gz RWLZLGUPDKYFHA-UHFFFAOYSA-N 1 2 450.590 4.838 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(-c3cccc(F)c3)nn1)CC2 ZINC001164658117 719354592 /nfs/dbraw/zinc/35/45/92/719354592.db2.gz DPGXDMILENRIHA-UHFFFAOYSA-N 1 2 468.580 4.977 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(-c3cccc(F)c3)nn1)CC2 ZINC001164658117 719354597 /nfs/dbraw/zinc/35/45/97/719354597.db2.gz DPGXDMILENRIHA-UHFFFAOYSA-N 1 2 468.580 4.977 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc3ccc(OC)cc3nc1C)CC2 ZINC001164658458 719354786 /nfs/dbraw/zinc/35/47/86/719354786.db2.gz HJUQDIYMQVQEBJ-UHFFFAOYSA-N 1 2 468.605 4.642 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc3ccc(OC)cc3nc1C)CC2 ZINC001164658458 719354790 /nfs/dbraw/zinc/35/47/90/719354790.db2.gz HJUQDIYMQVQEBJ-UHFFFAOYSA-N 1 2 468.605 4.642 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3c1ncn3-c1ccccc1)CC2 ZINC001164658973 719355329 /nfs/dbraw/zinc/35/53/29/719355329.db2.gz NTQTWFJQHAKLEP-UHFFFAOYSA-N 1 2 490.615 4.510 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3c1ncn3-c1ccccc1)CC2 ZINC001164658973 719355333 /nfs/dbraw/zinc/35/53/33/719355333.db2.gz NTQTWFJQHAKLEP-UHFFFAOYSA-N 1 2 490.615 4.510 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(-c3sc(C)nc3C)nn1)CC2 ZINC001164659522 719355490 /nfs/dbraw/zinc/35/54/90/719355490.db2.gz QIXFTCQMGWYFBB-UHFFFAOYSA-N 1 2 485.661 4.912 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(-c3sc(C)nc3C)nn1)CC2 ZINC001164659522 719355491 /nfs/dbraw/zinc/35/54/91/719355491.db2.gz QIXFTCQMGWYFBB-UHFFFAOYSA-N 1 2 485.661 4.912 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cncc(-c3ccc(F)cc3)n1)CC2 ZINC001164664180 719355980 /nfs/dbraw/zinc/35/59/80/719355980.db2.gz LODLIMTZOTXPMX-UHFFFAOYSA-N 1 2 468.580 4.977 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cncc(-c3ccc(F)cc3)n1)CC2 ZINC001164664180 719355983 /nfs/dbraw/zinc/35/59/83/719355983.db2.gz LODLIMTZOTXPMX-UHFFFAOYSA-N 1 2 468.580 4.977 20 0 JJADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nc(Cl)nc4cccc(Cl)c42)CC3)cc1 ZINC001164673877 719508189 /nfs/dbraw/zinc/50/81/89/719508189.db2.gz SUUREKQXLCVSJZ-UHFFFAOYSA-N 1 2 461.368 4.947 20 0 JJADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nc(Cl)nc4cccc(Cl)c42)CC3)cc1 ZINC001164673877 719508195 /nfs/dbraw/zinc/50/81/95/719508195.db2.gz SUUREKQXLCVSJZ-UHFFFAOYSA-N 1 2 461.368 4.947 20 0 JJADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nc(Cl)ncc2OCc2ccccc2)CC3)cc1 ZINC001164673383 719509784 /nfs/dbraw/zinc/50/97/84/719509784.db2.gz QZZCMWTZKIVXOY-UHFFFAOYSA-N 1 2 482.987 4.720 20 0 JJADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nc(Cl)ncc2OCc2ccccc2)CC3)cc1 ZINC001164673383 719509792 /nfs/dbraw/zinc/50/97/92/719509792.db2.gz QZZCMWTZKIVXOY-UHFFFAOYSA-N 1 2 482.987 4.720 20 0 JJADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nc(Cl)cc(Cc4ccccc4)n2)CC3)cc1 ZINC001164672561 719516912 /nfs/dbraw/zinc/51/69/12/719516912.db2.gz KVHUURDUCPWPMH-UHFFFAOYSA-N 1 2 466.988 4.731 20 0 JJADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nc(Cl)cc(Cc4ccccc4)n2)CC3)cc1 ZINC001164672561 719516928 /nfs/dbraw/zinc/51/69/28/719516928.db2.gz KVHUURDUCPWPMH-UHFFFAOYSA-N 1 2 466.988 4.731 20 0 JJADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2cnc(Cl)nc2Oc2ccccc2)CC3)cc1 ZINC001164678449 719530520 /nfs/dbraw/zinc/53/05/20/719530520.db2.gz LBWMFCPQODGRDN-UHFFFAOYSA-N 1 2 468.960 4.933 20 0 JJADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2cnc(Cl)nc2Oc2ccccc2)CC3)cc1 ZINC001164678449 719530522 /nfs/dbraw/zinc/53/05/22/719530522.db2.gz LBWMFCPQODGRDN-UHFFFAOYSA-N 1 2 468.960 4.933 20 0 JJADLO COc1cc2cnc(Cl)cc2cc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164679358 719532269 /nfs/dbraw/zinc/53/22/69/719532269.db2.gz YHBXPNZPIAJJIL-UHFFFAOYSA-N 1 2 455.961 4.907 20 0 JJADLO COc1cc2cnc(Cl)cc2cc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164679358 719532277 /nfs/dbraw/zinc/53/22/77/719532277.db2.gz YHBXPNZPIAJJIL-UHFFFAOYSA-N 1 2 455.961 4.907 20 0 JJADLO FC(F)(c1nc2cc(Cl)c(Cl)cc2nc1Cl)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001164677612 719564524 /nfs/dbraw/zinc/56/45/24/719564524.db2.gz PGDKVVPFMYDAPK-UHFFFAOYSA-N 1 2 485.709 4.930 20 0 JJADLO FC(F)(Oc1ccc(-c2ccnc(Cl)c2)cc1)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001164676452 719565122 /nfs/dbraw/zinc/56/51/22/719565122.db2.gz BQCQTTTYLHVHSU-UHFFFAOYSA-N 1 2 457.868 4.622 20 0 JJADLO COc1cccc(-c2cc(C(F)(F)N3CCc4onc(Cn5cc[nH+]c5)c4C3)cnc2Cl)c1 ZINC001164676595 719567487 /nfs/dbraw/zinc/56/74/87/719567487.db2.gz JYWZILRSUPQCQY-UHFFFAOYSA-N 1 2 471.895 4.751 20 0 JJADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN(C(F)(F)Sc3ccc(Cl)nc3)CC2)cc1 ZINC001164696851 719830554 /nfs/dbraw/zinc/83/05/54/719830554.db2.gz LEORNOKZPCLEPN-UHFFFAOYSA-N 1 2 489.979 4.777 20 0 JJADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)Oc1ccccc1-c1cccc(Cl)n1 ZINC001164721797 720317823 /nfs/dbraw/zinc/31/78/23/720317823.db2.gz HWNOTCNCSFHQGB-FQEVSTJZSA-N 1 2 489.954 4.844 20 0 JJADLO O=C(c1cccnc1N1CCC[C@@]2(C[C@H](c3ccccc3)CO2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164774200 721060097 /nfs/dbraw/zinc/06/00/97/721060097.db2.gz VIROEAHYJNKLBY-JTSJOTPCSA-N 1 2 496.655 4.583 20 0 JJADLO FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164873093 721218643 /nfs/dbraw/zinc/21/86/43/721218643.db2.gz PXUVLKVMNNBBDC-UHFFFAOYSA-N 1 2 480.346 4.752 20 0 JJADLO Cc1ccc(-c2cc(C(F)(F)N3CCC4(CC3)CN(c3cccc[nH+]3)CCO4)c(Cl)nn2)cc1 ZINC001164869960 721221103 /nfs/dbraw/zinc/22/11/03/721221103.db2.gz DTUVTZOYVWWGEH-UHFFFAOYSA-N 1 2 485.966 4.921 20 0 JJADLO FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164769180 721274579 /nfs/dbraw/zinc/27/45/79/721274579.db2.gz PPIKJXQBUAFKGD-KRWDZBQOSA-N 1 2 482.922 4.649 20 0 JJADLO FC(F)(c1cc(-c2cccs2)nnc1Cl)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164769154 721275066 /nfs/dbraw/zinc/27/50/66/721275066.db2.gz PKDQZPNSTDRANN-OAHLLOKOSA-N 1 2 488.951 4.710 20 0 JJADLO FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164767069 721275282 /nfs/dbraw/zinc/27/52/82/721275282.db2.gz FIHPTIAOUIJNMS-KRWDZBQOSA-N 1 2 482.922 4.649 20 0 JJADLO FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164768189 721276932 /nfs/dbraw/zinc/27/69/32/721276932.db2.gz LTJDZYYOMQNMIT-KRWDZBQOSA-N 1 2 482.922 4.649 20 0 JJADLO Cc1cncc(COC[C@@]23CCC[C@@H]2CN(c2ncnc4c2C[N@H+](Cc2ccccc2)CC4)C3)c1 ZINC001164798404 721600713 /nfs/dbraw/zinc/60/07/13/721600713.db2.gz FJZUKFIIWQILLH-IRPSRAIASA-N 1 2 469.633 4.562 20 0 JJADLO Cc1cncc(COC[C@@]23CCC[C@@H]2CN(c2ncnc4c2C[N@@H+](Cc2ccccc2)CC4)C3)c1 ZINC001164798404 721600714 /nfs/dbraw/zinc/60/07/14/721600714.db2.gz FJZUKFIIWQILLH-IRPSRAIASA-N 1 2 469.633 4.562 20 0 JJADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nnc(-c3ccc(C)c(C)c3)c3ccccc32)CC1 ZINC001164917266 721818802 /nfs/dbraw/zinc/81/88/02/721818802.db2.gz FTBWCRSVZKMPKC-UHFFFAOYSA-N 1 2 452.606 4.860 20 0 JJADLO CC(C)[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCNc2cccc[nH+]2)C1 ZINC001359739043 1064305005 /nfs/dbraw/zinc/30/50/05/1064305005.db2.gz KDNWFJGVPXSMSJ-LJQANCHMSA-N 1 2 456.541 4.926 20 0 JJADLO CCCc1c(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)nnn1-c1ccc(C(C)(C)C)cc1 ZINC001434868055 1064305657 /nfs/dbraw/zinc/30/56/57/1064305657.db2.gz QCYSNMAPWVFDQB-UHFFFAOYSA-N 1 2 456.594 4.692 20 0 JJADLO CC(C)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001359742860 1064312729 /nfs/dbraw/zinc/31/27/29/1064312729.db2.gz WGWADISRHPAWIZ-FCHUYYIVSA-N 1 2 461.601 4.973 20 0 JJADLO CC(C)Cc1nnc(N(C)Cc2cc(Cl)ccn2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001359779224 1064425102 /nfs/dbraw/zinc/42/51/02/1064425102.db2.gz GUUBEIFKPYQXIJ-HXUWFJFHSA-N 1 2 462.976 4.743 20 0 JJADLO C[C@H](C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1)c1cccc(Br)c1 ZINC001359788977 1064445037 /nfs/dbraw/zinc/44/50/37/1064445037.db2.gz AEGLZVUOAWBDBZ-INIZCTEOSA-N 1 2 452.356 4.828 20 0 JJADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1nc(-c2ccccc2OC(F)F)cs1 ZINC001435029611 1064447231 /nfs/dbraw/zinc/44/72/31/1064447231.db2.gz SNAWBXQMEMWZDK-UHFFFAOYSA-N 1 2 450.417 4.987 20 0 JJADLO C[C@H](C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1)c1ccc(Br)s1 ZINC001435051578 1064469812 /nfs/dbraw/zinc/46/98/12/1064469812.db2.gz HBGOOODLMOLEOS-AWEZNQCLSA-N 1 2 458.385 4.889 20 0 JJADLO CC(C)Cc1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1CCC[C@H]1CCCCO1 ZINC001359861587 1064552892 /nfs/dbraw/zinc/55/28/92/1064552892.db2.gz ZVXWLVDSSBVXHN-HSZRJFAPSA-N 1 2 460.066 4.802 20 0 JJADLO CC(C)C[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001359878182 1064568788 /nfs/dbraw/zinc/56/87/88/1064568788.db2.gz HDXBXIFHDOPJOW-NJYVYQBISA-N 1 2 476.065 4.665 20 0 JJADLO CC(C)C[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001359878182 1064568802 /nfs/dbraw/zinc/56/88/02/1064568802.db2.gz HDXBXIFHDOPJOW-NJYVYQBISA-N 1 2 476.065 4.665 20 0 JJADLO CC(C)C[C@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001359883602 1064577893 /nfs/dbraw/zinc/57/78/93/1064577893.db2.gz JJNFXPAQDRQABY-AUSIDOKSSA-N 1 2 468.596 4.717 20 0 JJADLO CC(C)C[C@@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001359883607 1064577913 /nfs/dbraw/zinc/57/79/13/1064577913.db2.gz JJNFXPAQDRQABY-WMZHIEFXSA-N 1 2 468.596 4.717 20 0 JJADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCCC1 ZINC001435216564 1064597214 /nfs/dbraw/zinc/59/72/14/1064597214.db2.gz SIFRAJHBCCRMJB-QHCPKHFHSA-N 1 2 459.631 4.629 20 0 JJADLO CCN(C(=O)C[C@@H]1CCC[C@@H](C(F)(F)F)O1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001435239199 1064618770 /nfs/dbraw/zinc/61/87/70/1064618770.db2.gz HBEZEDXALDPAMD-OALUTQOASA-N 1 2 456.553 4.616 20 0 JJADLO CCN(C(=O)CCc1nc2ccccc2s1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001435240529 1064619692 /nfs/dbraw/zinc/61/96/92/1064619692.db2.gz SVLWWPKNIFVPNB-UHFFFAOYSA-N 1 2 451.640 4.968 20 0 JJADLO CC(C)CCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC001359914904 1064634832 /nfs/dbraw/zinc/63/48/32/1064634832.db2.gz PVWYTEFXSKUGHM-JOCHJYFZSA-N 1 2 469.033 4.549 20 0 JJADLO CC(C)CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCc1cn2ccccc2[nH+]1 ZINC001359918637 1064642558 /nfs/dbraw/zinc/64/25/58/1064642558.db2.gz LYIUCABUNTYTCZ-UHFFFAOYSA-N 1 2 495.672 4.765 20 0 JJADLO CC(C)CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCNc1cccc[nH+]1 ZINC001359919214 1064643309 /nfs/dbraw/zinc/64/33/09/1064643309.db2.gz ZMFZDGSELVRPPV-OAQYLSRUSA-N 1 2 485.677 4.772 20 0 JJADLO CC[C@H](Cc1cccc(Br)c1)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC001435292525 1064668235 /nfs/dbraw/zinc/66/82/35/1064668235.db2.gz ZBQZHTWOVZBIJQ-LJQANCHMSA-N 1 2 458.444 4.869 20 0 JJADLO Cc1ccc(Br)c(C)c1C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC001359969781 1064745587 /nfs/dbraw/zinc/74/55/87/1064745587.db2.gz UJYHYABTHTXQCR-UHFFFAOYSA-N 1 2 452.356 4.955 20 0 JJADLO CC(C)CN(c1nnc(-c2cccc(Cl)c2)n1Cc1ccc[nH+]c1N1CCOCC1)C(C)C ZINC001359986068 1064766079 /nfs/dbraw/zinc/76/60/79/1064766079.db2.gz XPYHRSCHWYUJHX-UHFFFAOYSA-N 1 2 469.033 4.749 20 0 JJADLO CC(C)CN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](C)[NH+]1CCOCC1)C1CCCC1 ZINC001359990110 1064771399 /nfs/dbraw/zinc/77/13/99/1064771399.db2.gz JLDLRAKIAQMQSH-FQEVSTJZSA-N 1 2 460.066 4.648 20 0 JJADLO CC(C)CN(c1nnc(COc2ccccc2F)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1)C(C)C ZINC001359993382 1064777374 /nfs/dbraw/zinc/77/73/74/1064777374.db2.gz UCERBSMUSZFUCB-OAQYLSRUSA-N 1 2 496.631 4.535 20 0 JJADLO C[C@@H](c1cccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C2CCCCCC2)c1)[NH+]1CCOCC1 ZINC001359997113 1064782261 /nfs/dbraw/zinc/78/22/61/1064782261.db2.gz NDIJYGMVBIEDDU-CVDCTZTESA-N 1 2 459.631 4.882 20 0 JJADLO C[C@H](c1cccc(NC(=O)[C@@H]2CCCCCC[C@H]2NC(=O)OC(C)(C)C)c1)[NH+]1CCOCC1 ZINC001359996807 1064782370 /nfs/dbraw/zinc/78/23/70/1064782370.db2.gz CYGGCVQIQNQOAG-UEVCKROQSA-N 1 2 459.631 4.882 20 0 JJADLO Cc1cccn2cc(CC(=O)N[C@H](c3cccc(F)c3)c3cccc(Br)c3)[nH+]c12 ZINC001435502244 1064792096 /nfs/dbraw/zinc/79/20/96/1064792096.db2.gz JFFVIPZVHFJSNU-QFIPXVFZSA-N 1 2 452.327 4.993 20 0 JJADLO C/C=C/c1ccc(OCC(=O)N2CC[N@@H+](Cc3ccc(C)nc3)C[C@@H]2[C@H](C)CC)c(OC)c1 ZINC001435626303 1064888139 /nfs/dbraw/zinc/88/81/39/1064888139.db2.gz TXIJKDRUKOAVGB-NKNFQMRTSA-N 1 2 451.611 4.570 20 0 JJADLO C/C=C/c1ccc(OCC(=O)N2CC[N@H+](Cc3ccc(C)nc3)C[C@@H]2[C@H](C)CC)c(OC)c1 ZINC001435626303 1064888151 /nfs/dbraw/zinc/88/81/51/1064888151.db2.gz TXIJKDRUKOAVGB-NKNFQMRTSA-N 1 2 451.611 4.570 20 0 JJADLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(OCc2ccccc2)cn1 ZINC001435627274 1064888768 /nfs/dbraw/zinc/88/87/68/1064888768.db2.gz XPKPLPHZDVLUGW-JIPXPUAJSA-N 1 2 458.606 4.737 20 0 JJADLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(OCc2ccccc2)cn1 ZINC001435627274 1064888780 /nfs/dbraw/zinc/88/87/80/1064888780.db2.gz XPKPLPHZDVLUGW-JIPXPUAJSA-N 1 2 458.606 4.737 20 0 JJADLO Cc1ccc(OC2CCN(C(=O)[C@@H](c3cccc(Br)c3)[NH+]3CCCC3)CC2)cc1 ZINC001360078891 1064932820 /nfs/dbraw/zinc/93/28/20/1064932820.db2.gz KAWAWXMUVZGPFY-HSZRJFAPSA-N 1 2 457.412 4.964 20 0 JJADLO C[C@@H]1CCC[C@H](OCCCCCC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)C1 ZINC001435751603 1064976013 /nfs/dbraw/zinc/97/60/13/1064976013.db2.gz WVQIHUDWSKQHCR-FKFVHYFGSA-N 1 2 451.051 4.984 20 0 JJADLO C[C@@H]1CCC[C@H](OCCCCCC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001435751603 1064976023 /nfs/dbraw/zinc/97/60/23/1064976023.db2.gz WVQIHUDWSKQHCR-FKFVHYFGSA-N 1 2 451.051 4.984 20 0 JJADLO Cc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)cc1C(F)(F)F ZINC001435915537 1065061853 /nfs/dbraw/zinc/06/18/53/1065061853.db2.gz HJDFCTAWZHFCJC-UHFFFAOYSA-N 1 2 456.306 4.780 20 0 JJADLO C[C@H](c1cccc(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)c1)[NH+]1CCOCC1 ZINC001360179215 1065067942 /nfs/dbraw/zinc/06/79/42/1065067942.db2.gz ASHSLEBPZZXDOS-AUSIDOKSSA-N 1 2 453.583 4.674 20 0 JJADLO COc1ccc(-c2ccc(CNC(=O)c3cccc(NC(=O)CCn4cc[nH+]c4)c3)cc2)cc1 ZINC001360183678 1065071095 /nfs/dbraw/zinc/07/10/95/1065071095.db2.gz KARQDKIZEWLESJ-UHFFFAOYSA-N 1 2 454.530 4.518 20 0 JJADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H](c2c(F)cccc2Cl)N2CCCCC2)CC1 ZINC001435994411 1065098307 /nfs/dbraw/zinc/09/83/07/1065098307.db2.gz ZAUSHCGOEQTQOK-HTAPYJJXSA-N 1 2 450.023 4.973 20 0 JJADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)C2(c3ccccc3Br)CC2)[C@@H](C)C1 ZINC001436020822 1065118160 /nfs/dbraw/zinc/11/81/60/1065118160.db2.gz SXASSWPJRRLXLF-SFHVURJKSA-N 1 2 457.412 4.612 20 0 JJADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)C2(c3ccccc3Br)CC2)[C@@H](C)C1 ZINC001436020822 1065118169 /nfs/dbraw/zinc/11/81/69/1065118169.db2.gz SXASSWPJRRLXLF-SFHVURJKSA-N 1 2 457.412 4.612 20 0 JJADLO CCCCC[C@H](CC)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(I)cc1 ZINC001436049373 1065143075 /nfs/dbraw/zinc/14/30/75/1065143075.db2.gz ZVLJFSWEBXZGED-ICSRJNTNSA-N 1 2 456.412 4.978 20 0 JJADLO CCCCC[C@H](CC)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(I)cc1 ZINC001436049373 1065143079 /nfs/dbraw/zinc/14/30/79/1065143079.db2.gz ZVLJFSWEBXZGED-ICSRJNTNSA-N 1 2 456.412 4.978 20 0 JJADLO CCCCC[C@@H](CC)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(I)cc1 ZINC001436049377 1065144221 /nfs/dbraw/zinc/14/42/21/1065144221.db2.gz ZVLJFSWEBXZGED-UYAOXDASSA-N 1 2 456.412 4.978 20 0 JJADLO CCCCC[C@@H](CC)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(I)cc1 ZINC001436049377 1065144227 /nfs/dbraw/zinc/14/42/27/1065144227.db2.gz ZVLJFSWEBXZGED-UYAOXDASSA-N 1 2 456.412 4.978 20 0 JJADLO C[C@@H]1CCC[C@H](CNC(=O)c2cccnc2N2CC[NH+](Cc3cccc(Cl)c3)CC2)[C@H]1C ZINC001436085090 1065170138 /nfs/dbraw/zinc/17/01/38/1065170138.db2.gz DQBMNMYHGPOAJH-RZUBCFFCSA-N 1 2 455.046 4.859 20 0 JJADLO Cc1nc(-c2ccc(C)cc2Br)sc1C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001436098658 1065178410 /nfs/dbraw/zinc/17/84/10/1065178410.db2.gz HHQHMTQMCYIXMI-MRXNPFEDSA-N 1 2 458.381 4.878 20 0 JJADLO CC(C)OCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001360376808 1065236436 /nfs/dbraw/zinc/23/64/36/1065236436.db2.gz ONHMTBUSEBVUSD-UHFFFAOYSA-N 1 2 472.996 4.664 20 0 JJADLO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C)CC2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001545896045 1065243549 /nfs/dbraw/zinc/24/35/49/1065243549.db2.gz KJSATCMFJOCMMR-OAQYLSRUSA-N 1 2 481.689 4.647 20 0 JJADLO CC(C)OCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001360396718 1065261073 /nfs/dbraw/zinc/26/10/73/1065261073.db2.gz OAEDOBWYOXAOOP-GOSISDBHSA-N 1 2 485.032 4.520 20 0 JJADLO Cc1cc(C(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)nn1-c1ccccc1Br ZINC001436390878 1065307695 /nfs/dbraw/zinc/30/76/95/1065307695.db2.gz VUXUGYQETZOYSY-UHFFFAOYSA-N 1 2 450.340 4.810 20 0 JJADLO C[C@@H](c1cccc(O)c1)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001360446120 1065335449 /nfs/dbraw/zinc/33/54/49/1065335449.db2.gz PEJLPEMKYVNOGI-KUWBRRTOSA-N 1 2 478.641 4.609 20 0 JJADLO CC[C@@H]1CCC[C@@]1(C)C(=O)Nc1ccccc1OCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC001436608604 1065396931 /nfs/dbraw/zinc/39/69/31/1065396931.db2.gz HZGMMXUCLXIUOH-FQRUVTKNSA-N 1 2 459.631 4.773 20 0 JJADLO C[C@@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCCC(C)(C)C1)[NH+]1CCOCC1 ZINC001360584741 1065584998 /nfs/dbraw/zinc/58/49/98/1065584998.db2.gz ZJXREOQPZPMXOR-KRWDZBQOSA-N 1 2 482.456 4.511 20 0 JJADLO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(F)(F)CC2)n1CCCNc1cccc[nH+]1 ZINC001360744431 1065781920 /nfs/dbraw/zinc/78/19/20/1065781920.db2.gz UXSSISBSQFWQAT-KRWDZBQOSA-N 1 2 460.504 4.690 20 0 JJADLO O=C(NCCN(Cc1ccccc1)c1cccc[nH+]1)c1cccnc1OCc1ccccc1F ZINC001439112201 1065789144 /nfs/dbraw/zinc/78/91/44/1065789144.db2.gz WECWYCBVTNPJPU-UHFFFAOYSA-N 1 2 456.521 4.631 20 0 JJADLO Cc1ccc(C2(C(=O)NCc3nc(C[NH+](C)C)cs3)CCCCC2)c(Br)c1 ZINC001439324888 1065815102 /nfs/dbraw/zinc/81/51/02/1065815102.db2.gz GBGHXYSKZVLVKD-UHFFFAOYSA-N 1 2 450.446 4.794 20 0 JJADLO CC(C)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001360769004 1065858874 /nfs/dbraw/zinc/85/88/74/1065858874.db2.gz BXBZGPYZEZSGNJ-FQEVSTJZSA-N 1 2 473.637 4.540 20 0 JJADLO C[C@H](Oc1ccccc1F)c1nnc(N2CCC(C)(C)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001360770085 1065865409 /nfs/dbraw/zinc/86/54/09/1065865409.db2.gz SKOBYUBTAMOGKY-SFHVURJKSA-N 1 2 452.578 4.693 20 0 JJADLO C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(C)(C)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001360770084 1065865503 /nfs/dbraw/zinc/86/55/03/1065865503.db2.gz SKOBYUBTAMOGKY-GOSISDBHSA-N 1 2 452.578 4.693 20 0 JJADLO CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)c2ccc(NC(=O)OCC(F)(F)F)cc2)C1 ZINC001440171703 1065920009 /nfs/dbraw/zinc/92/00/09/1065920009.db2.gz SEVMIRSPRJYWMC-INIZCTEOSA-N 1 2 452.477 4.769 20 0 JJADLO O=C(c1c(Cl)cccc1Br)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC001440484613 1065943424 /nfs/dbraw/zinc/94/34/24/1065943424.db2.gz RKWBIRLSLKZKAN-UHFFFAOYSA-N 1 2 458.183 4.593 20 0 JJADLO Cc1cc(N2CCN(C(=O)c3c(C)cc(Br)cc3Cl)CC2)nc(C(C)C)[nH+]1 ZINC001440688295 1065967355 /nfs/dbraw/zinc/96/73/55/1065967355.db2.gz RNFSRJQWKLYLHZ-UHFFFAOYSA-N 1 2 451.796 4.595 20 0 JJADLO O=C(N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)C(F)(F)c1cccc(Br)c1 ZINC001440864188 1065984596 /nfs/dbraw/zinc/98/45/96/1065984596.db2.gz LMCLISBJOSEQCM-UHFFFAOYSA-N 1 2 457.746 4.929 20 0 JJADLO O=C(N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)C(F)(F)c1cccc(Br)c1 ZINC001440864188 1065984610 /nfs/dbraw/zinc/98/46/10/1065984610.db2.gz LMCLISBJOSEQCM-UHFFFAOYSA-N 1 2 457.746 4.929 20 0 JJADLO Cc1cccc(O[C@H](C)c2nnc(N(C)CC[NH+]3CCOCC3)n2CC(C)(C)c2cccs2)c1C ZINC001360870267 1066001505 /nfs/dbraw/zinc/00/15/05/1066001505.db2.gz WEYJKOAEZCYOHI-JOCHJYFZSA-N 1 2 497.709 4.843 20 0 JJADLO C[C@H](c1ccccc1F)[C@@H](O)C(=O)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC001441246042 1066019584 /nfs/dbraw/zinc/01/95/84/1066019584.db2.gz HTMGHNVRMUFXOK-MZNJEOGPSA-N 1 2 456.558 4.502 20 0 JJADLO CC(C)N(CCC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C(=O)OC(C)(C)C ZINC001441289266 1066022780 /nfs/dbraw/zinc/02/27/80/1066022780.db2.gz LRSUFNXUASGFBR-LJQANCHMSA-N 1 2 456.002 4.768 20 0 JJADLO C[C@@H](C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N(C(=O)OC(C)(C)C)C1CC1 ZINC001441313022 1066025605 /nfs/dbraw/zinc/02/56/05/1066025605.db2.gz CCNXNCWGFDKJQO-HNAYVOBHSA-N 1 2 453.986 4.520 20 0 JJADLO O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C1=Cc2ccccc2O[C@H]1C(F)F ZINC001441318268 1066026845 /nfs/dbraw/zinc/02/68/45/1066026845.db2.gz KCZHXDQQNGVTTQ-GHTZIAJQSA-N 1 2 450.888 4.842 20 0 JJADLO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC(C)=C(C)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001360883479 1066037426 /nfs/dbraw/zinc/03/74/26/1066037426.db2.gz SZCKSWKCVQDORO-FGZHOGPDSA-N 1 2 488.076 4.956 20 0 JJADLO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC(C)=C(C)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001360883479 1066037444 /nfs/dbraw/zinc/03/74/44/1066037444.db2.gz SZCKSWKCVQDORO-FGZHOGPDSA-N 1 2 488.076 4.956 20 0 JJADLO CC1=C(C)CN(c2nnc(-c3ccccc3Br)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001360885945 1066040469 /nfs/dbraw/zinc/04/04/69/1066040469.db2.gz CTXISTXQLDCESL-UHFFFAOYSA-N 1 2 467.415 4.763 20 0 JJADLO CNc1nc(C)ccc1C(=O)NC[C@H](c1ccc(SC)cc1)[N@@H+]1CCc2sccc2C1 ZINC001441474596 1066044637 /nfs/dbraw/zinc/04/46/37/1066044637.db2.gz QMQZUBVFXVPNOR-OAQYLSRUSA-N 1 2 452.649 4.745 20 0 JJADLO CNc1nc(C)ccc1C(=O)NC[C@H](c1ccc(SC)cc1)[N@H+]1CCc2sccc2C1 ZINC001441474596 1066044646 /nfs/dbraw/zinc/04/46/46/1066044646.db2.gz QMQZUBVFXVPNOR-OAQYLSRUSA-N 1 2 452.649 4.745 20 0 JJADLO Cc1nc([C@@H]2CCCN(c3nnc(C(C)(C)C)n3Cc3ccc(N(C)C)[nH+]c3)C2)sc1C ZINC001360894125 1066046518 /nfs/dbraw/zinc/04/65/18/1066046518.db2.gz IDPWHQDBEOMAPH-LJQANCHMSA-N 1 2 453.660 4.542 20 0 JJADLO Cc1nc(NCc2cccc(C(=O)NCC(C)(C)c3ccc(Br)cc3)c2)cc[nH+]1 ZINC001441532142 1066048784 /nfs/dbraw/zinc/04/87/84/1066048784.db2.gz AWKJPHBIWAQXJG-UHFFFAOYSA-N 1 2 453.384 4.867 20 0 JJADLO Cc1nc(CCn2c(C(C)C)nnc2N2CC[NH+](Cc3cccc(Cl)c3)CC2)sc1C ZINC001360895891 1066049034 /nfs/dbraw/zinc/04/90/34/1066049034.db2.gz OQDHQQHBXNTOQB-UHFFFAOYSA-N 1 2 459.063 4.693 20 0 JJADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccnc(Oc2ccc(F)cc2F)c1 ZINC001360906135 1066060246 /nfs/dbraw/zinc/06/02/46/1066060246.db2.gz LYTQPIZQIPVXMV-UHFFFAOYSA-N 1 2 452.505 4.926 20 0 JJADLO CCN(C(=O)c1cnc(-c2ccccn2)s1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001360906522 1066060285 /nfs/dbraw/zinc/06/02/85/1066060285.db2.gz GGBPIMRHVIJTLP-UHFFFAOYSA-N 1 2 450.612 4.558 20 0 JJADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001360906171 1066060466 /nfs/dbraw/zinc/06/04/66/1066060466.db2.gz NGTSFYLOFPFPBX-NRFANRHFSA-N 1 2 458.647 4.574 20 0 JJADLO CCN(C(=O)[C@H](C)[C@H]1OCCc2sccc21)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001360906603 1066060945 /nfs/dbraw/zinc/06/09/45/1066060945.db2.gz HOGWEUATOBRYLL-WZONZLPQSA-N 1 2 456.656 4.737 20 0 JJADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H]3CCCCN3C(=O)OCc3ccccc3)n2)C1 ZINC001442024510 1066086197 /nfs/dbraw/zinc/08/61/97/1066086197.db2.gz XCAXIGNUETYNBE-WIYYLYMNSA-N 1 2 456.612 4.505 20 0 JJADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H]3CCCCN3C(=O)OCc3ccccc3)n2)C1 ZINC001442024510 1066086210 /nfs/dbraw/zinc/08/62/10/1066086210.db2.gz XCAXIGNUETYNBE-WIYYLYMNSA-N 1 2 456.612 4.505 20 0 JJADLO Cc1c(CN(C)c2nnc(-c3ccc(Cl)cc3Cl)n2CCCNc2cccc[nH+]2)cnn1C ZINC001360934872 1066093746 /nfs/dbraw/zinc/09/37/46/1066093746.db2.gz PJICLPQLWGRSST-UHFFFAOYSA-N 1 2 485.423 4.827 20 0 JJADLO Cc1ncsc1CN(C)c1nnc([C@H]2CCCCO2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001360940535 1066097762 /nfs/dbraw/zinc/09/77/62/1066097762.db2.gz NFNMXJZQDCLINI-RTBURBONSA-N 1 2 476.597 4.502 20 0 JJADLO Cc1occc1CN(C)c1nnc(Cc2ccc(Cl)cc2)n1CCCNc1cccc[nH+]1 ZINC001360945025 1066100077 /nfs/dbraw/zinc/10/00/77/1066100077.db2.gz RJUGBJLOIKSNTD-UHFFFAOYSA-N 1 2 450.974 4.957 20 0 JJADLO O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC001442266415 1066110810 /nfs/dbraw/zinc/11/08/10/1066110810.db2.gz NMRQSOPDYBHTBK-NRFANRHFSA-N 1 2 458.990 4.631 20 0 JJADLO O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC001442266415 1066110816 /nfs/dbraw/zinc/11/08/16/1066110816.db2.gz NMRQSOPDYBHTBK-NRFANRHFSA-N 1 2 458.990 4.631 20 0 JJADLO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CC[NH+]2CCOCC2)n1CCC(C)(F)F ZINC001360990283 1066167221 /nfs/dbraw/zinc/16/72/21/1066167221.db2.gz RYZCFOFNIJLVHP-GOSISDBHSA-N 1 2 486.007 4.502 20 0 JJADLO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCOC(C)(C)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001360993169 1066173309 /nfs/dbraw/zinc/17/33/09/1066173309.db2.gz ZRBGXDWZMNBMKB-LJQANCHMSA-N 1 2 499.059 4.813 20 0 JJADLO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCOC(C)(C)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001360993168 1066173403 /nfs/dbraw/zinc/17/34/03/1066173403.db2.gz ZRBGXDWZMNBMKB-IBGZPJMESA-N 1 2 499.059 4.813 20 0 JJADLO CC(C)(C)OC(=O)NC1(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CCCCC1 ZINC001442907692 1066238510 /nfs/dbraw/zinc/23/85/10/1066238510.db2.gz KYCKUTUKDRHSRL-FQEVSTJZSA-N 1 2 450.023 4.648 20 0 JJADLO CC(C)(C)OC(=O)NC1(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CCCCC1 ZINC001442907692 1066238521 /nfs/dbraw/zinc/23/85/21/1066238521.db2.gz KYCKUTUKDRHSRL-FQEVSTJZSA-N 1 2 450.023 4.648 20 0 JJADLO CC(C)[C@@H](NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1)c1cccc(C(F)(F)F)c1 ZINC001442937063 1066243852 /nfs/dbraw/zinc/24/38/52/1066243852.db2.gz VKBKFPBXVPOTLW-VGOFRKELSA-N 1 2 451.508 4.869 20 0 JJADLO CC(C)[C@H](NC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1)c1cccc(C(F)(F)F)c1 ZINC001442935573 1066243914 /nfs/dbraw/zinc/24/39/14/1066243914.db2.gz VKBKFPBXVPOTLW-JTSKRJEESA-N 1 2 451.508 4.869 20 0 JJADLO O=C(NCc1csc(Cc2ccc(Cl)cc2)n1)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC001454205587 1066254163 /nfs/dbraw/zinc/25/41/63/1066254163.db2.gz INZQKTKUTGFBHH-UHFFFAOYSA-N 1 2 451.983 4.626 20 0 JJADLO O=C(c1cc(Br)ccc1Br)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001454266020 1066259727 /nfs/dbraw/zinc/25/97/27/1066259727.db2.gz OZIGAVGJYGGSFI-INIZCTEOSA-N 1 2 458.581 4.652 20 0 JJADLO Cc1nc(NCc2cccc(C(=O)N3CCO[C@H](c4ccc(Cl)c(Cl)c4)C3)c2)cc[nH+]1 ZINC001443092696 1066266179 /nfs/dbraw/zinc/26/61/79/1066266179.db2.gz HZJFTYPMKMRHKL-NRFANRHFSA-N 1 2 457.361 4.918 20 0 JJADLO CC(C)(C)OC(=O)N1[C@@H]2CCCC[C@@H]2CC[C@H]1C(=O)NCCn1c[nH+]cc1-c1ccccc1 ZINC001454327512 1066270123 /nfs/dbraw/zinc/27/01/23/1066270123.db2.gz KLHVTCNSUHULOD-VSKRKVRLSA-N 1 2 452.599 4.625 20 0 JJADLO COc1cccc([C@H]2CN(C(=O)c3cccc(Oc4ccc(Cl)c(Cl)c4)n3)CC[NH2+]2)c1 ZINC001454475693 1066289307 /nfs/dbraw/zinc/28/93/07/1066289307.db2.gz OMRQPNASYFSFNO-OAQYLSRUSA-N 1 2 458.345 4.976 20 0 JJADLO Cc1cc(NC(=O)[C@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)ccc1-n1cc[nH+]c1 ZINC001443310817 1066293835 /nfs/dbraw/zinc/29/38/35/1066293835.db2.gz ILFJERFFEFICDR-MBSDFSHPSA-N 1 2 454.933 4.910 20 0 JJADLO CC(C)n1cc(Br)cc1C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC001443393083 1066305304 /nfs/dbraw/zinc/30/53/04/1066305304.db2.gz PJDWJBDXONOKKU-UHFFFAOYSA-N 1 2 455.360 4.720 20 0 JJADLO CC(C)c1ccccc1Nc1ccc(C(=O)N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)cc1 ZINC001443411892 1066307806 /nfs/dbraw/zinc/30/78/06/1066307806.db2.gz VTHNWCZNPSXWCH-UHFFFAOYSA-N 1 2 456.590 4.611 20 0 JJADLO C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)Sc1ccc(Br)cc1 ZINC001443531698 1066323920 /nfs/dbraw/zinc/32/39/20/1066323920.db2.gz NTARGJPXZNBORG-MGPUTAFESA-N 1 2 451.405 4.850 20 0 JJADLO C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1)Sc1ccc(Br)cc1 ZINC001443531698 1066323936 /nfs/dbraw/zinc/32/39/36/1066323936.db2.gz NTARGJPXZNBORG-MGPUTAFESA-N 1 2 451.405 4.850 20 0 JJADLO O=C(Nc1ccc([C@H](O)C(F)(F)F)cc1)[C@@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001454766344 1066332043 /nfs/dbraw/zinc/33/20/43/1066332043.db2.gz IERDWXFHLCMTQV-MSOLQXFVSA-N 1 2 457.290 4.820 20 0 JJADLO Cc1cc(N2CCN(c3nnc(CC(C)(C)C)n3Cc3cccc(N(C)C)c3)CC2)nc(C(C)C)[nH+]1 ZINC001361105462 1066354046 /nfs/dbraw/zinc/35/40/46/1066354046.db2.gz KZCYYNPCMNTDNR-UHFFFAOYSA-N 1 2 490.700 4.529 20 0 JJADLO Cc1cc(N2CCN(c3nnc(CC(C)C)n3C[C@H](c3cccnc3)C(C)C)CC2)nc(C(C)C)[nH+]1 ZINC001361105452 1066354154 /nfs/dbraw/zinc/35/41/54/1066354154.db2.gz KOZGHKYXWMXBQM-DEOSSOPVSA-N 1 2 490.700 4.860 20 0 JJADLO Cc1cc(N2CCN(c3nnc([C@H]4CCCO4)n3CCCC(C)(C)C)CC2)nc(C(C)C)[nH+]1 ZINC001361105411 1066354563 /nfs/dbraw/zinc/35/45/63/1066354563.db2.gz JGOATLKAKICUET-HXUWFJFHSA-N 1 2 455.651 4.504 20 0 JJADLO COC(=O)c1ccccc1-c1ccccc1C(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC001443732104 1066359779 /nfs/dbraw/zinc/35/97/79/1066359779.db2.gz LMBDQZTWAGHOMT-FQEVSTJZSA-N 1 2 458.558 4.668 20 0 JJADLO Cc1ccc2[nH+]c(CSCC(=O)NCCCc3ccc(Br)cc3F)cn2c1 ZINC001443875833 1066379675 /nfs/dbraw/zinc/37/96/75/1066379675.db2.gz JNNIZXZQEZMBSZ-UHFFFAOYSA-N 1 2 450.377 4.527 20 0 JJADLO O=C(N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)c1ccc(OCc2ccccn2)cc1 ZINC001443888327 1066381148 /nfs/dbraw/zinc/38/11/48/1066381148.db2.gz NBMFFMFICIASEH-OAQYLSRUSA-N 1 2 453.945 4.848 20 0 JJADLO O=C(N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)c1ccc(OCc2ccccn2)cc1 ZINC001443888327 1066381167 /nfs/dbraw/zinc/38/11/67/1066381167.db2.gz NBMFFMFICIASEH-OAQYLSRUSA-N 1 2 453.945 4.848 20 0 JJADLO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@H](CC(C)C)C3)n2CC[N@@H+]2CCOC[C@H]2C)c1 ZINC001361126048 1066382322 /nfs/dbraw/zinc/38/23/22/1066382322.db2.gz JPRWYCLEGYNHGG-RPWUZVMVSA-N 1 2 483.701 4.882 20 0 JJADLO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@H](CC(C)C)C3)n2CC[N@H+]2CCOC[C@H]2C)c1 ZINC001361126048 1066382336 /nfs/dbraw/zinc/38/23/36/1066382336.db2.gz JPRWYCLEGYNHGG-RPWUZVMVSA-N 1 2 483.701 4.882 20 0 JJADLO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@H](CC(C)C)C3)n2CC[N@@H+]2CCOC[C@@H]2C)c1 ZINC001361126049 1066382431 /nfs/dbraw/zinc/38/24/31/1066382431.db2.gz JPRWYCLEGYNHGG-ZEQRLZLVSA-N 1 2 483.701 4.882 20 0 JJADLO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@H](CC(C)C)C3)n2CC[N@H+]2CCOC[C@@H]2C)c1 ZINC001361126049 1066382448 /nfs/dbraw/zinc/38/24/48/1066382448.db2.gz JPRWYCLEGYNHGG-ZEQRLZLVSA-N 1 2 483.701 4.882 20 0 JJADLO Cc1ccc(C(C)C)c(OCc2nnc(N3CCCC(C)(C)C3)n2C[C@H](C)[NH+]2CCOCC2)c1 ZINC001361127738 1066389552 /nfs/dbraw/zinc/38/95/52/1066389552.db2.gz OJOTYWJJDSXZBS-QFIPXVFZSA-N 1 2 469.674 4.636 20 0 JJADLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2c(C)nn(C)c2Sc2ccccc2)CC1 ZINC001455458970 1066392870 /nfs/dbraw/zinc/39/28/70/1066392870.db2.gz UKCJJFVAXSYPQD-QFIPXVFZSA-N 1 2 452.599 4.928 20 0 JJADLO Cc1ccc(-c2nnc(N(C)CCC(F)(F)F)n2C[C@H](c2ccc(C)cc2)[NH+]2CCOCC2)o1 ZINC001361137176 1066412210 /nfs/dbraw/zinc/41/22/10/1066412210.db2.gz YGBKAQBOTHSLKW-HXUWFJFHSA-N 1 2 477.531 4.617 20 0 JJADLO Cc1ccc([C@@H](Cn2c(N(C)Cc3cc(Cl)ccn3)nnc2C(C)(C)C)[NH+]2CCOCC2)cc1 ZINC001361140567 1066417983 /nfs/dbraw/zinc/41/79/83/1066417983.db2.gz DAEVHBARIWNLRP-HSZRJFAPSA-N 1 2 483.060 4.642 20 0 JJADLO Cc1ccc([C@@H](Cn2c(N3CCC(OC(C)(C)C)CC3)nnc2C(C)(C)C)[NH+]2CCOCC2)cc1 ZINC001361142386 1066424236 /nfs/dbraw/zinc/42/42/36/1066424236.db2.gz YMVWWGDTQZXCMR-XMMPIXPASA-N 1 2 483.701 4.741 20 0 JJADLO Cc1ccc([C@H](Cn2c(N3CCC(OC(C)(C)C)CC3)nnc2C(C)(C)C)[NH+]2CCOCC2)cc1 ZINC001361142385 1066424243 /nfs/dbraw/zinc/42/42/43/1066424243.db2.gz YMVWWGDTQZXCMR-DEOSSOPVSA-N 1 2 483.701 4.741 20 0 JJADLO COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)[C@@H]3CCCC[N@@H+]3Cc3cccnc3)s2)cc1 ZINC001444212546 1066430011 /nfs/dbraw/zinc/43/00/11/1066430011.db2.gz FVRHZGHZCUHQLR-VGSWGCGISA-N 1 2 450.608 4.754 20 0 JJADLO COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)[C@@H]3CCCC[N@H+]3Cc3cccnc3)s2)cc1 ZINC001444212546 1066430016 /nfs/dbraw/zinc/43/00/16/1066430016.db2.gz FVRHZGHZCUHQLR-VGSWGCGISA-N 1 2 450.608 4.754 20 0 JJADLO C[NH+](C)Cc1csc(CNC(=O)[C@](C)(Cc2nc3ccccc3s2)c2ccccc2)n1 ZINC001455882250 1066445314 /nfs/dbraw/zinc/44/53/14/1066445314.db2.gz XNOWNJQGWCPEMD-XMMPIXPASA-N 1 2 450.633 4.631 20 0 JJADLO CCc1ccc(C[NH+]2CCN(C(=O)c3cc(Cl)c(OCC(C)C)c(OC)c3)CC2)s1 ZINC001444348095 1066453182 /nfs/dbraw/zinc/45/31/82/1066453182.db2.gz KTOHIPCLFAKQHR-UHFFFAOYSA-N 1 2 451.032 4.965 20 0 JJADLO CCc1ccc(C[NH+]2CCN(C(=O)C3(Cc4ccc(OC(F)(F)F)cc4)CC3)CC2)s1 ZINC001444355862 1066453948 /nfs/dbraw/zinc/45/39/48/1066453948.db2.gz UFFXPRHMPRVMPF-UHFFFAOYSA-N 1 2 452.542 4.876 20 0 JJADLO CCN(C(=O)c1ccc(OC(C)C)c(OC)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001444475122 1066464366 /nfs/dbraw/zinc/46/43/66/1066464366.db2.gz GOQDHHMKQBYAHU-UHFFFAOYSA-N 1 2 454.615 4.835 20 0 JJADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1sc(NC(=O)OC(C)(C)C)nc1C ZINC001361160821 1066466522 /nfs/dbraw/zinc/46/65/22/1066466522.db2.gz BGETWGILWYHPHZ-UHFFFAOYSA-N 1 2 459.616 4.572 20 0 JJADLO O=C(NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)C(=O)c1ccc(Br)s1 ZINC001456031818 1066483593 /nfs/dbraw/zinc/48/35/93/1066483593.db2.gz SEQHIIQZVURMQP-HNNXBMFYSA-N 1 2 455.805 4.518 20 0 JJADLO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)C(=O)c1ccc(Br)s1 ZINC001456031818 1066483600 /nfs/dbraw/zinc/48/36/00/1066483600.db2.gz SEQHIIQZVURMQP-HNNXBMFYSA-N 1 2 455.805 4.518 20 0 JJADLO Cc1ccc(-c2nnc(N(C)C[C@@H]3CCCCO3)n2CCCNc2cccc[nH+]2)cc1Br ZINC001361183131 1066505035 /nfs/dbraw/zinc/50/50/35/1066505035.db2.gz FXTJQTAEFCYSCI-FQEVSTJZSA-N 1 2 499.457 4.919 20 0 JJADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc([C@H](C)Sc2ccccc2)cc1 ZINC001445363886 1066562599 /nfs/dbraw/zinc/56/25/99/1066562599.db2.gz HJWQLISCYSWOMX-FDDCHVKYSA-N 1 2 450.608 4.975 20 0 JJADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc([C@H](C)Sc2ccccc2)cc1 ZINC001445363886 1066562608 /nfs/dbraw/zinc/56/26/08/1066562608.db2.gz HJWQLISCYSWOMX-FDDCHVKYSA-N 1 2 450.608 4.975 20 0 JJADLO CC(C)c1[nH]cc(CNC(=O)c2csc(Cc3ccc(NC(=O)OC(C)(C)C)cc3)n2)[nH+]1 ZINC001456347333 1066566906 /nfs/dbraw/zinc/56/69/06/1066566906.db2.gz XHWFKCGFJXNNLG-UHFFFAOYSA-N 1 2 455.584 4.857 20 0 JJADLO CC(C)c1[nH]c(CNC(=O)c2csc(Cc3ccc(NC(=O)OC(C)(C)C)cc3)n2)c[nH+]1 ZINC001456347333 1066566914 /nfs/dbraw/zinc/56/69/14/1066566914.db2.gz XHWFKCGFJXNNLG-UHFFFAOYSA-N 1 2 455.584 4.857 20 0 JJADLO O=C(N[C@H](c1ccccc1Cl)c1cc(F)ccc1F)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001456354866 1066568133 /nfs/dbraw/zinc/56/81/33/1066568133.db2.gz VXFBGQCSAYOUBY-DNQXCXABSA-N 1 2 456.920 4.725 20 0 JJADLO O=C(N[C@H](c1ccccc1Cl)c1cc(F)ccc1F)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001456354866 1066568149 /nfs/dbraw/zinc/56/81/49/1066568149.db2.gz VXFBGQCSAYOUBY-DNQXCXABSA-N 1 2 456.920 4.725 20 0 JJADLO O=C(N[C@@H](c1ccccc1Cl)c1cc(F)ccc1F)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001456354871 1066568377 /nfs/dbraw/zinc/56/83/77/1066568377.db2.gz VXFBGQCSAYOUBY-ZEQRLZLVSA-N 1 2 456.920 4.725 20 0 JJADLO O=C(N[C@@H](c1ccccc1Cl)c1cc(F)ccc1F)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001456354871 1066568387 /nfs/dbraw/zinc/56/83/87/1066568387.db2.gz VXFBGQCSAYOUBY-ZEQRLZLVSA-N 1 2 456.920 4.725 20 0 JJADLO O=C(CS[C@H](c1ccccc1)c1ccc(Cl)cc1)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001445526732 1066582641 /nfs/dbraw/zinc/58/26/41/1066582641.db2.gz MRRODZSMOKQDHJ-GIFXNVAJSA-N 1 2 459.055 4.922 20 0 JJADLO Cc1ccc(CN(C)c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC[N@@H+]2CCOC[C@@H]2C)s1 ZINC001361248255 1066591879 /nfs/dbraw/zinc/59/18/79/1066591879.db2.gz IOFOTZCCXJSYMK-SIKLNZKXSA-N 1 2 483.682 4.762 20 0 JJADLO Cc1ccc(CN(C)c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC[N@H+]2CCOC[C@@H]2C)s1 ZINC001361248255 1066591886 /nfs/dbraw/zinc/59/18/86/1066591886.db2.gz IOFOTZCCXJSYMK-SIKLNZKXSA-N 1 2 483.682 4.762 20 0 JJADLO Cc1ccc(CN(C)c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2ccc(N(C)C)[nH+]c2)o1 ZINC001361248779 1066592348 /nfs/dbraw/zinc/59/23/48/1066592348.db2.gz QXZXDGWVPJNROM-GOSISDBHSA-N 1 2 464.545 4.604 20 0 JJADLO Cc1ccc(CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)o1 ZINC001361255346 1066602989 /nfs/dbraw/zinc/60/29/89/1066602989.db2.gz VPHWCRCYILKUEZ-RTWAWAEBSA-N 1 2 459.541 4.639 20 0 JJADLO Cc1ccc(CNC(=O)[C@@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)c(O[C@H](C)CC(C)C)c1 ZINC001446146102 1066666533 /nfs/dbraw/zinc/66/65/33/1066666533.db2.gz OSDZFZDZYFXOMN-FGZHOGPDSA-N 1 2 455.618 4.774 20 0 JJADLO C[C@H](CC(=O)NCc1cc[nH+]c(N2CCCCCC2)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001446295835 1066687640 /nfs/dbraw/zinc/68/76/40/1066687640.db2.gz WLEALXOJQKNJPV-HXUWFJFHSA-N 1 2 458.647 4.752 20 0 JJADLO Cc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC001446298218 1066687696 /nfs/dbraw/zinc/68/76/96/1066687696.db2.gz XZHZPCUISNGQNF-QHCPKHFHSA-N 1 2 452.599 4.653 20 0 JJADLO CC(C)(C)OC(=O)Nc1ncc(CCC(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)s1 ZINC001446300902 1066688367 /nfs/dbraw/zinc/68/83/67/1066688367.db2.gz MUTFENHDGAAMLP-UHFFFAOYSA-N 1 2 459.616 4.515 20 0 JJADLO Cc1cn2c([nH+]1)[C@@H](Cn1c(C(C)C)nnc1N(C)Cc1ccc(Br)cc1)CCC2 ZINC001492628806 1066700136 /nfs/dbraw/zinc/70/01/36/1066700136.db2.gz NMALHRBLCJXKCM-GOSISDBHSA-N 1 2 457.420 4.883 20 0 JJADLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC001446520129 1066714635 /nfs/dbraw/zinc/71/46/35/1066714635.db2.gz YPHCGKDCPPXFSV-BXKMTCNYSA-N 1 2 452.002 4.806 20 0 JJADLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC001446520129 1066714646 /nfs/dbraw/zinc/71/46/46/1066714646.db2.gz YPHCGKDCPPXFSV-BXKMTCNYSA-N 1 2 452.002 4.806 20 0 JJADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cnc(SC)n1-c1ccc(F)cc1 ZINC001456922800 1066722857 /nfs/dbraw/zinc/72/28/57/1066722857.db2.gz BSCGRTFSHIVLAI-UHFFFAOYSA-N 1 2 453.587 4.507 20 0 JJADLO Cc1csc([C@H](C)Cn2c(C(C)C)nnc2N2CC[NH+](CCOc3ccccc3Cl)CC2)n1 ZINC001492637485 1066723543 /nfs/dbraw/zinc/72/35/43/1066723543.db2.gz SAYWTPINNGJREL-GOSISDBHSA-N 1 2 489.089 4.825 20 0 JJADLO Cc1ccc(C(=O)N[C@@H](CC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c2ccccc2)cc1 ZINC001446714898 1066733619 /nfs/dbraw/zinc/73/36/19/1066733619.db2.gz JTINPNBYOXWDPO-SANMLTNESA-N 1 2 458.606 4.772 20 0 JJADLO Cc1csc(CN(C)c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H](C)[NH+]2CCOCC2)c1 ZINC001492644898 1066744334 /nfs/dbraw/zinc/74/43/34/1066744334.db2.gz DTZJKSGRARGNAC-OALUTQOASA-N 1 2 490.073 4.799 20 0 JJADLO C[C@@H](C(=O)Nc1ccccc1Nc1c(F)cccc1F)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001446860180 1066748753 /nfs/dbraw/zinc/74/87/53/1066748753.db2.gz DKHPNEYMIWQLNJ-KRWDZBQOSA-N 1 2 454.496 4.997 20 0 JJADLO O=C(NCCc1cn(Cc2ccc(Cl)cc2)c[nH+]1)c1cnc(Cc2ccccc2F)s1 ZINC001457268060 1066800235 /nfs/dbraw/zinc/80/02/35/1066800235.db2.gz MIJXXCFHPQRGPS-UHFFFAOYSA-N 1 2 454.958 4.744 20 0 JJADLO O=C(NCCc1cn(Cc2ccc(Cl)cc2)c[nH+]1)c1cccc(C(=O)Nc2ccccc2)c1 ZINC001457269532 1066800893 /nfs/dbraw/zinc/80/08/93/1066800893.db2.gz UFCHAXAYVSQSBS-UHFFFAOYSA-N 1 2 458.949 4.810 20 0 JJADLO Cc1ncc(C[NH+]2CCN(c3nnc(CC(C)C)n3[C@H]3CCC[C@@H](C(F)(F)F)C3)CC2)s1 ZINC001492701736 1066858648 /nfs/dbraw/zinc/85/86/48/1066858648.db2.gz DWSFWBHFSDULGY-MSOLQXFVSA-N 1 2 470.609 4.857 20 0 JJADLO Cc1cccc(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c1NC(=O)c1ccccc1F ZINC001457768133 1066914864 /nfs/dbraw/zinc/91/48/64/1066914864.db2.gz IECHSHZGVWOMNS-GOSISDBHSA-N 1 2 451.567 4.967 20 0 JJADLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N2CCC(F)(c3ccccc3C(F)(F)F)CC2)cc1 ZINC001448475896 1066931097 /nfs/dbraw/zinc/93/10/97/1066931097.db2.gz MJTUSKTZDXKGFB-OAQYLSRUSA-N 1 2 450.476 4.776 20 0 JJADLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N2CCC(F)(c3ccccc3C(F)(F)F)CC2)cc1 ZINC001448475896 1066931107 /nfs/dbraw/zinc/93/11/07/1066931107.db2.gz MJTUSKTZDXKGFB-OAQYLSRUSA-N 1 2 450.476 4.776 20 0 JJADLO Cc1ccc(C(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)cc1NC(=O)NC(C)(C)C ZINC001448498424 1066933442 /nfs/dbraw/zinc/93/34/42/1066933442.db2.gz AOJVVAFDEPOEGM-IBGZPJMESA-N 1 2 451.615 4.973 20 0 JJADLO Cc1ccc(C(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)cc1NC(=O)NC(C)(C)C ZINC001448498424 1066933455 /nfs/dbraw/zinc/93/34/55/1066933455.db2.gz AOJVVAFDEPOEGM-IBGZPJMESA-N 1 2 451.615 4.973 20 0 JJADLO CC(C)(C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC001448530850 1066936361 /nfs/dbraw/zinc/93/63/61/1066936361.db2.gz HLFUWMBNYKHTEF-HXUWFJFHSA-N 1 2 450.410 4.992 20 0 JJADLO O=C(N[C@H]1CCC[N@@H+](CCF)C1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2 ZINC001457916822 1066941404 /nfs/dbraw/zinc/94/14/04/1066941404.db2.gz XKGGEAYCUKQCBC-INIZCTEOSA-N 1 2 453.389 4.612 20 0 JJADLO O=C(N[C@H]1CCC[N@H+](CCF)C1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2 ZINC001457916822 1066941418 /nfs/dbraw/zinc/94/14/18/1066941418.db2.gz XKGGEAYCUKQCBC-INIZCTEOSA-N 1 2 453.389 4.612 20 0 JJADLO CC[N@H+](C)[C@@H](C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2)c(F)cc1C)c1ccccc1 ZINC001448617163 1066942465 /nfs/dbraw/zinc/94/24/65/1066942465.db2.gz BPSFVQJUIWFTBT-HSZRJFAPSA-N 1 2 455.555 4.566 20 0 JJADLO CC[N@@H+](C)[C@@H](C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2)c(F)cc1C)c1ccccc1 ZINC001448617163 1066942472 /nfs/dbraw/zinc/94/24/72/1066942472.db2.gz BPSFVQJUIWFTBT-HSZRJFAPSA-N 1 2 455.555 4.566 20 0 JJADLO CC(C)(C)OC(=O)/C=C\c1cc(C(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)co1 ZINC001448618567 1066943346 /nfs/dbraw/zinc/94/33/46/1066943346.db2.gz DBZHCYHEMUBSCM-FPLPWBNLSA-N 1 2 455.942 4.827 20 0 JJADLO CC[C@@H](c1nnc(N(C)CC(C)(C)C)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1)c1ccccc1 ZINC001545720450 1066974873 /nfs/dbraw/zinc/97/48/73/1066974873.db2.gz XEIIQFNZWVCQEX-FCHUYYIVSA-N 1 2 476.673 4.803 20 0 JJADLO CC[C@@H](c1nnc(N(C)CC(C)(C)C)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1)c1ccccc1 ZINC001545720450 1066974884 /nfs/dbraw/zinc/97/48/84/1066974884.db2.gz XEIIQFNZWVCQEX-FCHUYYIVSA-N 1 2 476.673 4.803 20 0 JJADLO CC[C@H](c1nnc(N(C)Cc2cnc(C(C)C)nc2)n1Cc1ccc(N(C)C)[nH+]c1)c1ccccc1 ZINC001545721563 1066975643 /nfs/dbraw/zinc/97/56/43/1066975643.db2.gz BZCDTVNTKIBOBH-DEOSSOPVSA-N 1 2 484.652 4.879 20 0 JJADLO CC[C@H](c1nnc(N(C)CC(C)C)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1)c1ccccc1 ZINC001545722031 1066976788 /nfs/dbraw/zinc/97/67/88/1066976788.db2.gz MEEFUHJQGMPINW-QPPBQGQZSA-N 1 2 462.642 4.581 20 0 JJADLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(OCc2ccccc2)nc1 ZINC001458153642 1066989596 /nfs/dbraw/zinc/98/95/96/1066989596.db2.gz KCAUBXKQVHGFPI-QFQXNSOFSA-N 1 2 458.606 4.737 20 0 JJADLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(OCc2ccccc2)nc1 ZINC001458153642 1066989605 /nfs/dbraw/zinc/98/96/05/1066989605.db2.gz KCAUBXKQVHGFPI-QFQXNSOFSA-N 1 2 458.606 4.737 20 0 JJADLO O=C(CCSc1ccc(F)cc1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC001449309594 1066997950 /nfs/dbraw/zinc/99/79/50/1066997950.db2.gz KDCFFXNYFPYXMM-UHFFFAOYSA-N 1 2 452.349 4.589 20 0 JJADLO CC[C@@H](c1nnc(N2CC[C@H](C)[C@H](OC)C2)n1Cc1ccc(N(CC)CC)[nH+]c1)c1ccccc1 ZINC001545736656 1067000703 /nfs/dbraw/zinc/00/07/03/1067000703.db2.gz UAFRMYMRIPMADY-FTBPSBKWSA-N 1 2 476.669 4.971 20 0 JJADLO CC[C@@H](C)[C@H](Cn1c([C@H](CC)c2ccccc2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1)OC ZINC001545743854 1067010623 /nfs/dbraw/zinc/01/06/23/1067010623.db2.gz RXRKPLUYHSGSEZ-XRODADMRSA-N 1 2 476.669 4.905 20 0 JJADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N(C)[C@@H](CC)CSC)c2c1C ZINC001458281321 1067020302 /nfs/dbraw/zinc/02/03/02/1067020302.db2.gz LUNVKBSUPMHNJF-INIZCTEOSA-N 1 2 450.674 4.740 20 0 JJADLO Cc1nc(NC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c(Br)c(C)[nH+]1 ZINC001458331388 1067032386 /nfs/dbraw/zinc/03/23/86/1067032386.db2.gz UKGLMGMYEBPLCT-UHFFFAOYSA-N 1 2 457.294 4.591 20 0 JJADLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)C(F)(F)c2ccc(C(C)(C)C)cc2)c2ccc(Cl)cc2)C1 ZINC001458451552 1067065890 /nfs/dbraw/zinc/06/58/90/1067065890.db2.gz HOOAKNDMGGOFIZ-NHCUHLMSSA-N 1 2 450.957 4.917 20 0 JJADLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)C(F)(F)c2ccc(C(C)(C)C)cc2)c2ccc(Cl)cc2)C1 ZINC001458451552 1067065906 /nfs/dbraw/zinc/06/59/06/1067065906.db2.gz HOOAKNDMGGOFIZ-NHCUHLMSSA-N 1 2 450.957 4.917 20 0 JJADLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)C(F)(F)c2ccc(C(C)(C)C)cc2)c2ccc(Cl)cc2)C1 ZINC001458451557 1067066018 /nfs/dbraw/zinc/06/60/18/1067066018.db2.gz HOOAKNDMGGOFIZ-RTWAWAEBSA-N 1 2 450.957 4.917 20 0 JJADLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)C(F)(F)c2ccc(C(C)(C)C)cc2)c2ccc(Cl)cc2)C1 ZINC001458451557 1067066029 /nfs/dbraw/zinc/06/60/29/1067066029.db2.gz HOOAKNDMGGOFIZ-RTWAWAEBSA-N 1 2 450.957 4.917 20 0 JJADLO CCCCOc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)c(Cl)c1 ZINC001458452945 1067066382 /nfs/dbraw/zinc/06/63/82/1067066382.db2.gz KMWAQDOILDFIIZ-FGZHOGPDSA-N 1 2 451.394 4.974 20 0 JJADLO CCCCOc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)c(Cl)c1 ZINC001458452945 1067066399 /nfs/dbraw/zinc/06/63/99/1067066399.db2.gz KMWAQDOILDFIIZ-FGZHOGPDSA-N 1 2 451.394 4.974 20 0 JJADLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)c2ccc(Br)c(Cl)c2)c2ccc(Cl)cc2)C1 ZINC001458457563 1067068044 /nfs/dbraw/zinc/06/80/44/1067068044.db2.gz WLWOTACSMLGOEF-ROUUACIJSA-N 1 2 458.183 4.558 20 0 JJADLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)c2ccc(Br)c(Cl)c2)c2ccc(Cl)cc2)C1 ZINC001458457563 1067068059 /nfs/dbraw/zinc/06/80/59/1067068059.db2.gz WLWOTACSMLGOEF-ROUUACIJSA-N 1 2 458.183 4.558 20 0 JJADLO COc1ccc(C[C@@H](C)CN(C)C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)cc1 ZINC001458457753 1067068457 /nfs/dbraw/zinc/06/84/57/1067068457.db2.gz QEGVMHUYTIJSBP-WZONZLPQSA-N 1 2 459.428 4.932 20 0 JJADLO CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCCN2C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC001450415028 1067078612 /nfs/dbraw/zinc/07/86/12/1067078612.db2.gz QYIUQHPPIXVKDJ-FDFHNCONSA-N 1 2 452.599 4.570 20 0 JJADLO CCC(CC)(Cn1c(C2CCCC2)nnc1N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1)OC ZINC001545784176 1067079919 /nfs/dbraw/zinc/07/99/19/1067079919.db2.gz MQPFRIQMKZBYIT-UHFFFAOYSA-N 1 2 473.637 4.611 20 0 JJADLO Cc1cc(N(C)C[C@@H]2CN(c3ccccc3)C(=O)O2)nc(-c2ccc(Br)cc2)[nH+]1 ZINC001458569139 1067089449 /nfs/dbraw/zinc/08/94/49/1067089449.db2.gz DMTZCAXJLWVITK-LJQANCHMSA-N 1 2 453.340 4.676 20 0 JJADLO C[C@H](c1nnc(SCC(=O)Nc2ccc(Cl)c(F)c2)n1-c1ccc(F)cc1)[NH+](C)C ZINC001458727735 1067120085 /nfs/dbraw/zinc/12/00/85/1067120085.db2.gz COGFBATUCIQQRM-GFCCVEGCSA-N 1 2 451.930 4.552 20 0 JJADLO C[C@@H](c1nnc(SCC(=O)Nc2ccc(Cl)c(F)c2)n1-c1ccc(F)cc1)[NH+](C)C ZINC001458727739 1067120110 /nfs/dbraw/zinc/12/01/10/1067120110.db2.gz COGFBATUCIQQRM-LBPRGKRZSA-N 1 2 451.930 4.552 20 0 JJADLO C[C@@H](c1nnc(SCC(=O)Nc2ccc(Cl)nc2)n1-c1ccccc1)[NH+]1CCCCC1 ZINC001458847453 1067171289 /nfs/dbraw/zinc/17/12/89/1067171289.db2.gz SJAJIEBWJSHRGR-INIZCTEOSA-N 1 2 457.003 4.593 20 0 JJADLO C[C@H](Sc1nc2cc(C(F)(F)F)ccc2s1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001458874731 1067181653 /nfs/dbraw/zinc/18/16/53/1067181653.db2.gz IWKZFIJDPDSXPV-ZDUSSCGKSA-N 1 2 452.527 4.540 20 0 JJADLO CCOc1ccc([C@@]2(C(=O)N3CCC(CCCn4cc[nH+]c4)CC3)CC2(Cl)Cl)cc1 ZINC001546105720 1067233337 /nfs/dbraw/zinc/23/33/37/1067233337.db2.gz TXFUMCCVLZBHHX-JOCHJYFZSA-N 1 2 450.410 4.816 20 0 JJADLO O=C(c1cc(-n2cc[nH+]c2)ccc1O)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC001452632707 1067238901 /nfs/dbraw/zinc/23/89/01/1067238901.db2.gz MKYYTRXKDKCKNU-UHFFFAOYSA-N 1 2 451.741 4.501 20 0 JJADLO CCCCCCn1nc(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c2ccccc2c1=O ZINC001459304973 1067288265 /nfs/dbraw/zinc/28/82/65/1067288265.db2.gz YSCJMTNBELRWLT-IBGZPJMESA-N 1 2 452.624 4.557 20 0 JJADLO C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC001459309732 1067289850 /nfs/dbraw/zinc/28/98/50/1067289850.db2.gz FTYIIYGCYZRRMY-CYBMUJFWSA-N 1 2 451.311 4.649 20 0 JJADLO C[C@@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC001459309733 1067289919 /nfs/dbraw/zinc/28/99/19/1067289919.db2.gz FTYIIYGCYZRRMY-ZDUSSCGKSA-N 1 2 451.311 4.649 20 0 JJADLO CN(C(=O)C[NH+]1CCC(Oc2ccccc2)CC1)[C@]1(c2ccccc2Cl)CCCCC1=O ZINC001459356725 1067301969 /nfs/dbraw/zinc/30/19/69/1067301969.db2.gz KOXQOIFTEUMGEY-SANMLTNESA-N 1 2 454.998 4.680 20 0 JJADLO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)CC(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC001459356633 1067302047 /nfs/dbraw/zinc/30/20/47/1067302047.db2.gz WVGDZCRBTGZUKR-RUZDIDTESA-N 1 2 459.619 4.592 20 0 JJADLO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)CC(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC001459356633 1067302060 /nfs/dbraw/zinc/30/20/60/1067302060.db2.gz WVGDZCRBTGZUKR-RUZDIDTESA-N 1 2 459.619 4.592 20 0 JJADLO COC(=O)c1c(NC(=O)C[N@H+](Cc2ccccc2)Cc2ccc(F)cc2)sc2c1CCC2 ZINC001459374685 1067306917 /nfs/dbraw/zinc/30/69/17/1067306917.db2.gz LYUURCHWZNLUTP-UHFFFAOYSA-N 1 2 452.551 4.803 20 0 JJADLO COC(=O)c1c(NC(=O)C[N@@H+](Cc2ccccc2)Cc2ccc(F)cc2)sc2c1CCC2 ZINC001459374685 1067306930 /nfs/dbraw/zinc/30/69/30/1067306930.db2.gz LYUURCHWZNLUTP-UHFFFAOYSA-N 1 2 452.551 4.803 20 0 JJADLO Cc1ccsc1CNC(=O)CN1CC[NH+]([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC001459411957 1067316502 /nfs/dbraw/zinc/31/65/02/1067316502.db2.gz BCQNNIMPWMMZEV-RUZDIDTESA-N 1 2 454.039 4.733 20 0 JJADLO Cc1ccc2[nH+]c(CSCC(=O)N3CCC[C@@H](C)[C@H]3CCCNC(=O)OC(C)(C)C)cn2c1 ZINC001453589177 1067316994 /nfs/dbraw/zinc/31/69/94/1067316994.db2.gz LYEOSIFBVYOIHI-TZIWHRDSSA-N 1 2 474.671 4.808 20 0 JJADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cccc(COc3ccc(C)nc3)c2)[C@H](C)C1 ZINC001459418318 1067319601 /nfs/dbraw/zinc/31/96/01/1067319601.db2.gz YPYYTYIMLJVHBU-JOCHJYFZSA-N 1 2 459.590 4.714 20 0 JJADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cccc(COc3ccc(C)nc3)c2)[C@H](C)C1 ZINC001459418318 1067319615 /nfs/dbraw/zinc/31/96/15/1067319615.db2.gz YPYYTYIMLJVHBU-JOCHJYFZSA-N 1 2 459.590 4.714 20 0 JJADLO COc1ccc2c(c1)CCC[N@@H+](CC(=O)N(C)[C@@]1(c3ccccc3Cl)CCCCC1=O)C2 ZINC001459435029 1067325022 /nfs/dbraw/zinc/32/50/22/1067325022.db2.gz CLOHWRQRRNXYDN-AREMUKBSSA-N 1 2 454.998 4.594 20 0 JJADLO COc1ccc2c(c1)CCC[N@H+](CC(=O)N(C)[C@@]1(c3ccccc3Cl)CCCCC1=O)C2 ZINC001459435029 1067325034 /nfs/dbraw/zinc/32/50/34/1067325034.db2.gz CLOHWRQRRNXYDN-AREMUKBSSA-N 1 2 454.998 4.594 20 0 JJADLO OCC[N@H+](Cc1cc(Cl)cc(Br)c1)Cc1cc(Br)ccc1F ZINC001459444682 1067326136 /nfs/dbraw/zinc/32/61/36/1067326136.db2.gz WNROTFGELNKAGM-UHFFFAOYSA-N 1 2 451.561 4.999 20 0 JJADLO OCC[N@@H+](Cc1cc(Cl)cc(Br)c1)Cc1cc(Br)ccc1F ZINC001459444682 1067326147 /nfs/dbraw/zinc/32/61/47/1067326147.db2.gz WNROTFGELNKAGM-UHFFFAOYSA-N 1 2 451.561 4.999 20 0 JJADLO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+]([C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)C1 ZINC001459571472 1067354817 /nfs/dbraw/zinc/35/48/17/1067354817.db2.gz BDZITCUMOLLVOE-HIFRSBDPSA-N 1 2 458.550 4.588 20 0 JJADLO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+]([C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)C1 ZINC001459571472 1067354828 /nfs/dbraw/zinc/35/48/28/1067354828.db2.gz BDZITCUMOLLVOE-HIFRSBDPSA-N 1 2 458.550 4.588 20 0 JJADLO COC(=O)c1c(C)[nH]c(C(=O)C[N@H+](C)[C@@H]2CCSc3ccc(Br)cc32)c1C ZINC001459575257 1067355552 /nfs/dbraw/zinc/35/55/52/1067355552.db2.gz AIOJKDXKNIZWJG-OAHLLOKOSA-N 1 2 451.386 4.532 20 0 JJADLO COC(=O)c1c(C)[nH]c(C(=O)C[N@@H+](C)[C@@H]2CCSc3ccc(Br)cc32)c1C ZINC001459575257 1067355566 /nfs/dbraw/zinc/35/55/66/1067355566.db2.gz AIOJKDXKNIZWJG-OAHLLOKOSA-N 1 2 451.386 4.532 20 0 JJADLO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2F)C1 ZINC001459588749 1067358337 /nfs/dbraw/zinc/35/83/37/1067358337.db2.gz TUIQWTVLGUWPNN-GFCCVEGCSA-N 1 2 457.281 4.740 20 0 JJADLO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2F)C1 ZINC001459588749 1067358349 /nfs/dbraw/zinc/35/83/49/1067358349.db2.gz TUIQWTVLGUWPNN-GFCCVEGCSA-N 1 2 457.281 4.740 20 0 JJADLO O=C(C[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC001459604638 1067361312 /nfs/dbraw/zinc/36/13/12/1067361312.db2.gz SYHKUYBROVSCGT-XMMPIXPASA-N 1 2 457.574 4.601 20 0 JJADLO O=C(C[N@H+]1CC[C@@H](OCCCc2ccccc2)C1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC001459604638 1067361323 /nfs/dbraw/zinc/36/13/23/1067361323.db2.gz SYHKUYBROVSCGT-XMMPIXPASA-N 1 2 457.574 4.601 20 0 JJADLO Fc1ccccc1CC1CC[NH+](Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC001459654779 1067372548 /nfs/dbraw/zinc/37/25/48/1067372548.db2.gz JEILVSQKZOMKLK-UHFFFAOYSA-N 1 2 453.871 4.928 20 0 JJADLO O=C(C[NH+]1CCC(Cc2ccccc2F)CC1)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC001459657891 1067373417 /nfs/dbraw/zinc/37/34/17/1067373417.db2.gz RTSDMWSFRJPRND-VWLOTQADSA-N 1 2 458.021 4.687 20 0 JJADLO O=C(CN1CCC(Cc2ccccc2F)CC1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001459657891 1067373426 /nfs/dbraw/zinc/37/34/26/1067373426.db2.gz RTSDMWSFRJPRND-VWLOTQADSA-N 1 2 458.021 4.687 20 0 JJADLO Cc1ccccc1NC(=O)Cc1nc(CN2CC[NH+](Cc3ccccc3Cl)CC2)cs1 ZINC001459657940 1067373609 /nfs/dbraw/zinc/37/36/09/1067373609.db2.gz VXBBUIKRPVWVLW-UHFFFAOYSA-N 1 2 455.027 4.604 20 0 JJADLO CC(C)[C@H]1CN(C(=O)C[N@H+](CCNC(=O)OC(C)(C)C)Cc2ccccc2)c2ccccc21 ZINC001459757109 1067409410 /nfs/dbraw/zinc/40/94/10/1067409410.db2.gz XVZPFLASDBMZHK-HSZRJFAPSA-N 1 2 451.611 4.800 20 0 JJADLO CC(C)[C@H]1CN(C(=O)C[N@@H+](CCNC(=O)OC(C)(C)C)Cc2ccccc2)c2ccccc21 ZINC001459757109 1067409415 /nfs/dbraw/zinc/40/94/15/1067409415.db2.gz XVZPFLASDBMZHK-HSZRJFAPSA-N 1 2 451.611 4.800 20 0 JJADLO COc1ccc(C[N@H+](C)CC(=O)Nc2cc(-c3ccc(C)cc3)nn2-c2ccccc2)cc1O ZINC001459766099 1067413308 /nfs/dbraw/zinc/41/33/08/1067413308.db2.gz YNXCRTBLFWLOQB-UHFFFAOYSA-N 1 2 456.546 4.632 20 0 JJADLO COc1ccc(C[N@@H+](C)CC(=O)Nc2cc(-c3ccc(C)cc3)nn2-c2ccccc2)cc1O ZINC001459766099 1067413311 /nfs/dbraw/zinc/41/33/11/1067413311.db2.gz YNXCRTBLFWLOQB-UHFFFAOYSA-N 1 2 456.546 4.632 20 0 JJADLO Cc1cc(I)ccc1NC(=O)C[N@@H+]1[C@@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC001459774675 1067416714 /nfs/dbraw/zinc/41/67/14/1067416714.db2.gz JUKLTIHLQXEFRB-KBPBESRZSA-N 1 2 452.311 4.685 20 0 JJADLO Cc1cc(I)ccc1NC(=O)C[N@H+]1[C@@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC001459774675 1067416720 /nfs/dbraw/zinc/41/67/20/1067416720.db2.gz JUKLTIHLQXEFRB-KBPBESRZSA-N 1 2 452.311 4.685 20 0 JJADLO COc1ccc(C[NH+]2CCN(c3ccc(C(F)(F)F)cc3)CC2)c(Br)c1OC ZINC001459795128 1067427102 /nfs/dbraw/zinc/42/71/02/1067427102.db2.gz FQBRFXZFAKOTKM-UHFFFAOYSA-N 1 2 459.306 4.807 20 0 JJADLO Cc1nc(-c2cc3c(s2)CC[N@@H+](CC(=O)NCCc2ccc(OC(C)C)cc2)C3)cs1 ZINC001459839013 1067447533 /nfs/dbraw/zinc/44/75/33/1067447533.db2.gz FVJBLTISGJMHFR-UHFFFAOYSA-N 1 2 455.649 4.684 20 0 JJADLO Cc1nc(-c2cc3c(s2)CC[N@H+](CC(=O)NCCc2ccc(OC(C)C)cc2)C3)cs1 ZINC001459839013 1067447534 /nfs/dbraw/zinc/44/75/34/1067447534.db2.gz FVJBLTISGJMHFR-UHFFFAOYSA-N 1 2 455.649 4.684 20 0 JJADLO Nc1nc(C[NH2+][C@@H](Cc2cccc(F)c2)c2cccc(F)c2)nc(Nc2ccc(F)cc2)n1 ZINC001459875860 1067469366 /nfs/dbraw/zinc/46/93/66/1067469366.db2.gz IYOANRRBCJKDJZ-NRFANRHFSA-N 1 2 450.468 4.688 20 0 JJADLO C[C@H](NC(=O)C[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1Cl ZINC001459896172 1067477701 /nfs/dbraw/zinc/47/77/01/1067477701.db2.gz KVHSMEYJKKKODI-LBPRGKRZSA-N 1 2 450.193 4.972 20 0 JJADLO C[C@H](NC(=O)C[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1Cl ZINC001459896172 1067477704 /nfs/dbraw/zinc/47/77/04/1067477704.db2.gz KVHSMEYJKKKODI-LBPRGKRZSA-N 1 2 450.193 4.972 20 0 JJADLO C[C@](O)(C1CC[NH+](CC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)CC1)C(F)(F)F ZINC001459916553 1067489400 /nfs/dbraw/zinc/48/94/00/1067489400.db2.gz WIQRVMXONBYYSQ-YADHBBJMSA-N 1 2 454.920 4.571 20 0 JJADLO C[C@@](O)(C1CC[NH+](CC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)CC1)C(F)(F)F ZINC001459916528 1067489452 /nfs/dbraw/zinc/48/94/52/1067489452.db2.gz WIQRVMXONBYYSQ-FCHUYYIVSA-N 1 2 454.920 4.571 20 0 JJADLO C[C@](O)(C1CC[NH+](CC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)CC1)C(F)(F)F ZINC001459916544 1067489471 /nfs/dbraw/zinc/48/94/71/1067489471.db2.gz WIQRVMXONBYYSQ-VXKWHMMOSA-N 1 2 454.920 4.571 20 0 JJADLO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+]2CC(=O)N[C@@H](c2ccccc2)C2CCCCC2)C1 ZINC001459944053 1067501559 /nfs/dbraw/zinc/50/15/59/1067501559.db2.gz PIXRTKIWIUOLIC-RPLLCQBOSA-N 1 2 455.643 4.900 20 0 JJADLO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+]2CC(=O)N[C@@H](c2ccccc2)C2CCCCC2)C1 ZINC001459944053 1067501564 /nfs/dbraw/zinc/50/15/64/1067501564.db2.gz PIXRTKIWIUOLIC-RPLLCQBOSA-N 1 2 455.643 4.900 20 0 JJADLO COCCOc1cccc(CNC(=O)C[N@@H+]2CCCC[C@H]2c2cccc(C(F)(F)F)c2)c1 ZINC001459996787 1067519861 /nfs/dbraw/zinc/51/98/61/1067519861.db2.gz MEMTYRIQPHOVSW-QFIPXVFZSA-N 1 2 450.501 4.574 20 0 JJADLO COCCOc1cccc(CNC(=O)C[N@H+]2CCCC[C@H]2c2cccc(C(F)(F)F)c2)c1 ZINC001459996787 1067519869 /nfs/dbraw/zinc/51/98/69/1067519869.db2.gz MEMTYRIQPHOVSW-QFIPXVFZSA-N 1 2 450.501 4.574 20 0 JJADLO Cc1ccc(C[N@@H+](Cc2cc(=O)oc3cc(O)ccc23)C[C@@H]2CCCO2)c(Br)c1 ZINC001460032768 1067534866 /nfs/dbraw/zinc/53/48/66/1067534866.db2.gz GAZRXUCKBUMKBG-IBGZPJMESA-N 1 2 458.352 4.751 20 0 JJADLO Cc1ccc(C[N@H+](Cc2cc(=O)oc3cc(O)ccc23)C[C@@H]2CCCO2)c(Br)c1 ZINC001460032768 1067534874 /nfs/dbraw/zinc/53/48/74/1067534874.db2.gz GAZRXUCKBUMKBG-IBGZPJMESA-N 1 2 458.352 4.751 20 0 JJADLO O=C(C[N@@H+]1CCCC[C@@H]1COC(=O)N1CCCCC1)Nc1ccc(Oc2ccccc2)cc1 ZINC001460073236 1067546438 /nfs/dbraw/zinc/54/64/38/1067546438.db2.gz XFPBZNTVVCJRLO-JOCHJYFZSA-N 1 2 451.567 4.894 20 0 JJADLO O=C(C[N@H+]1CCCC[C@@H]1COC(=O)N1CCCCC1)Nc1ccc(Oc2ccccc2)cc1 ZINC001460073236 1067546447 /nfs/dbraw/zinc/54/64/47/1067546447.db2.gz XFPBZNTVVCJRLO-JOCHJYFZSA-N 1 2 451.567 4.894 20 0 JJADLO CC(C)(C)OC(=O)N1CCC2(CC[N@@H+]2CC(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC001460081929 1067548965 /nfs/dbraw/zinc/54/89/65/1067548965.db2.gz PSMSSMFUKIQENP-UHFFFAOYSA-N 1 2 451.567 4.893 20 0 JJADLO CC(C)(C)OC(=O)N1CCC2(CC[N@H+]2CC(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC001460081929 1067548973 /nfs/dbraw/zinc/54/89/73/1067548973.db2.gz PSMSSMFUKIQENP-UHFFFAOYSA-N 1 2 451.567 4.893 20 0 JJADLO CC(C)(C)c1ccc(NC(=O)CN(CCn2cc[nH+]c2)Cc2ccc(Br)o2)cc1 ZINC001460086356 1067550076 /nfs/dbraw/zinc/55/00/76/1067550076.db2.gz OMRWEJYEXRKOHF-UHFFFAOYSA-N 1 2 459.388 4.677 20 0 JJADLO Cc1cccc(Cn2[nH]ccc2=NC(=O)C[NH2+][C@@H]2CCCCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC001460097163 1067553971 /nfs/dbraw/zinc/55/39/71/1067553971.db2.gz GALFCBZLZXVPLG-DNQXCXABSA-N 1 2 451.014 4.960 20 0 JJADLO COc1ccc([C@@H](NC(=O)C[NH+]2CCC(c3nc(C(F)(F)F)cs3)CC2)C2CC2)cc1 ZINC001460137875 1067562851 /nfs/dbraw/zinc/56/28/51/1067562851.db2.gz AXNKBBDKOMBMAU-FQEVSTJZSA-N 1 2 453.530 4.617 20 0 JJADLO CCOc1ccc([C@@H](O)C2CC[NH+](Cc3nc(COc4cc(C)cc(C)c4)no3)CC2)cc1 ZINC001460142201 1067563550 /nfs/dbraw/zinc/56/35/50/1067563550.db2.gz AXHXXYYSTACBTM-AREMUKBSSA-N 1 2 451.567 4.610 20 0 JJADLO CCOC(=O)c1ccc2c(c1)nc(C[N@@H+]1CCN(c3ccc(Cl)cc3)CC1(C)C)n2CC ZINC001460171908 1067569831 /nfs/dbraw/zinc/56/98/31/1067569831.db2.gz KNTZYVFLPWOABH-UHFFFAOYSA-N 1 2 455.002 4.987 20 0 JJADLO CCOC(=O)c1ccc2c(c1)nc(C[N@H+]1CCN(c3ccc(Cl)cc3)CC1(C)C)n2CC ZINC001460171908 1067569837 /nfs/dbraw/zinc/56/98/37/1067569837.db2.gz KNTZYVFLPWOABH-UHFFFAOYSA-N 1 2 455.002 4.987 20 0 JJADLO CCOc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CCN(c3ccc(Cl)c(F)c3)C[C@H]2C)cc1 ZINC001460192050 1067575729 /nfs/dbraw/zinc/57/57/29/1067575729.db2.gz CJKWBESGQYBNAN-KOSHJBKYSA-N 1 2 459.993 4.752 20 0 JJADLO CCOc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CCN(c3ccc(Cl)c(F)c3)C[C@H]2C)cc1 ZINC001460192050 1067575736 /nfs/dbraw/zinc/57/57/36/1067575736.db2.gz CJKWBESGQYBNAN-KOSHJBKYSA-N 1 2 459.993 4.752 20 0 JJADLO C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1CCCC[C@H]1COC(=O)NC1CCCCC1 ZINC001460201534 1067578204 /nfs/dbraw/zinc/57/82/04/1067578204.db2.gz ZHHVGPXBTHLIAE-KNQAVFIVSA-N 1 2 455.599 4.866 20 0 JJADLO C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1CCCC[C@H]1COC(=O)NC1CCCCC1 ZINC001460201534 1067578210 /nfs/dbraw/zinc/57/82/10/1067578210.db2.gz ZHHVGPXBTHLIAE-KNQAVFIVSA-N 1 2 455.599 4.866 20 0 JJADLO COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)C[N@H+](C)Cc2ccccc2N(C)C)cc1 ZINC001460201581 1067578228 /nfs/dbraw/zinc/57/82/28/1067578228.db2.gz FWDAAOPSAZXIKR-MHZLTWQESA-N 1 2 456.590 4.571 20 0 JJADLO COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)C[N@@H+](C)Cc2ccccc2N(C)C)cc1 ZINC001460201581 1067578234 /nfs/dbraw/zinc/57/82/34/1067578234.db2.gz FWDAAOPSAZXIKR-MHZLTWQESA-N 1 2 456.590 4.571 20 0 JJADLO Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H](c3ccc(F)cc3)[C@H](NC(=O)OC(C)(C)C)C2)c1C ZINC001460209149 1067579619 /nfs/dbraw/zinc/57/96/19/1067579619.db2.gz RPFMUCBJNVFHHB-JTHBVZDNSA-N 1 2 455.574 4.764 20 0 JJADLO Cc1cccc(NC(=O)C[N@H+]2CC[C@@H](c3ccc(F)cc3)[C@H](NC(=O)OC(C)(C)C)C2)c1C ZINC001460209149 1067579628 /nfs/dbraw/zinc/57/96/28/1067579628.db2.gz RPFMUCBJNVFHHB-JTHBVZDNSA-N 1 2 455.574 4.764 20 0 JJADLO C[N@@H+](CC(=O)Nc1ccccc1Cc1ccccc1)C[C@@H](O)c1cccc(Br)c1 ZINC001460240110 1067588580 /nfs/dbraw/zinc/58/85/80/1067588580.db2.gz WQJYUNBYKKOCOK-HSZRJFAPSA-N 1 2 453.380 4.644 20 0 JJADLO C[N@H+](CC(=O)Nc1ccccc1Cc1ccccc1)C[C@@H](O)c1cccc(Br)c1 ZINC001460240110 1067588588 /nfs/dbraw/zinc/58/85/88/1067588588.db2.gz WQJYUNBYKKOCOK-HSZRJFAPSA-N 1 2 453.380 4.644 20 0 JJADLO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2csc(-c3ccccn3)n2)C[C@H]1c1ccccc1F ZINC001460241367 1067589157 /nfs/dbraw/zinc/58/91/57/1067589157.db2.gz ONEZXGAUZSPSPZ-GHTZIAJQSA-N 1 2 454.571 4.837 20 0 JJADLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2csc(-c3ccccn3)n2)C[C@H]1c1ccccc1F ZINC001460241367 1067589161 /nfs/dbraw/zinc/58/91/61/1067589161.db2.gz ONEZXGAUZSPSPZ-GHTZIAJQSA-N 1 2 454.571 4.837 20 0 JJADLO C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@H+]1C[C@@H](c2ccccc2F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001460245139 1067590282 /nfs/dbraw/zinc/59/02/82/1067590282.db2.gz ZLOCTPHFPQNVGA-SMKKKYSBSA-N 1 2 481.612 4.875 20 0 JJADLO C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@@H+]1C[C@@H](c2ccccc2F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001460245139 1067590286 /nfs/dbraw/zinc/59/02/86/1067590286.db2.gz ZLOCTPHFPQNVGA-SMKKKYSBSA-N 1 2 481.612 4.875 20 0 JJADLO CN(C)c1[nH+]ccc2cc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc(Cl)c(Cl)c3)ccc21 ZINC001460273116 1067595325 /nfs/dbraw/zinc/59/53/25/1067595325.db2.gz QQRDAVWEACDSKA-FQEVSTJZSA-N 1 2 457.361 4.851 20 0 JJADLO CN(C)c1[nH+]ccc2cc(NC(=O)[C@H]3CCCN3C(=O)c3ccc(Cl)c(Cl)c3)ccc21 ZINC001460273119 1067595442 /nfs/dbraw/zinc/59/54/42/1067595442.db2.gz QQRDAVWEACDSKA-HXUWFJFHSA-N 1 2 457.361 4.851 20 0 JJADLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CC(=O)N3CCC[C@@H]3c3ccc(C(C)(C)C)cc3)[C@@H]2C1 ZINC001460279475 1067596634 /nfs/dbraw/zinc/59/66/34/1067596634.db2.gz LDLGZOGZNIWARB-YMPZKCBVSA-N 1 2 455.643 4.589 20 0 JJADLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CC(=O)N3CCC[C@@H]3c3ccc(C(C)(C)C)cc3)[C@@H]2C1 ZINC001460279475 1067596640 /nfs/dbraw/zinc/59/66/40/1067596640.db2.gz LDLGZOGZNIWARB-YMPZKCBVSA-N 1 2 455.643 4.589 20 0 JJADLO CC(C)(C)OC(=O)C[C@H]1CCCC[N@@H+]1Cc1nc(Cc2cccc(Br)c2)no1 ZINC001460338385 1067611458 /nfs/dbraw/zinc/61/14/58/1067611458.db2.gz BDNGBCCAEROITD-QGZVFWFLSA-N 1 2 450.377 4.509 20 0 JJADLO CC(C)(C)OC(=O)C[C@H]1CCCC[N@H+]1Cc1nc(Cc2cccc(Br)c2)no1 ZINC001460338385 1067611460 /nfs/dbraw/zinc/61/14/60/1067611460.db2.gz BDNGBCCAEROITD-QGZVFWFLSA-N 1 2 450.377 4.509 20 0 JJADLO CCn1cc(C[N@H+](CC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)C(C)C)cn1 ZINC001460345835 1067613420 /nfs/dbraw/zinc/61/34/20/1067613420.db2.gz RBKRTUVVEAERBO-JOCHJYFZSA-N 1 2 453.974 4.738 20 0 JJADLO CCn1cc(C[N@@H+](CC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)C(C)C)cn1 ZINC001460345835 1067613422 /nfs/dbraw/zinc/61/34/22/1067613422.db2.gz RBKRTUVVEAERBO-JOCHJYFZSA-N 1 2 453.974 4.738 20 0 JJADLO C[C@H](C(=O)N1CCc2sccc2C1)[NH+]1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC001460352957 1067615076 /nfs/dbraw/zinc/61/50/76/1067615076.db2.gz FFTMWCAZJXTVPS-CYBMUJFWSA-N 1 2 458.842 4.804 20 0 JJADLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH+]2CCC([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)c1C ZINC001460404806 1067627841 /nfs/dbraw/zinc/62/78/41/1067627841.db2.gz DAZVZJRWSDMOKH-GHTZIAJQSA-N 1 2 459.631 4.764 20 0 JJADLO Cc1cc(C)c(N2CC[C@H]([N@@H+]3CC[C@@]4(C)[C@@H](C3)C4(Br)Br)C2=O)c(C)c1 ZINC001460413435 1067630711 /nfs/dbraw/zinc/63/07/11/1067630711.db2.gz ARFSZYNKEQWIQK-FCEWJHQRSA-N 1 2 470.249 4.545 20 0 JJADLO Cc1cc(C)c(N2CC[C@H]([N@H+]3CC[C@@]4(C)[C@@H](C3)C4(Br)Br)C2=O)c(C)c1 ZINC001460413435 1067630716 /nfs/dbraw/zinc/63/07/16/1067630716.db2.gz ARFSZYNKEQWIQK-FCEWJHQRSA-N 1 2 470.249 4.545 20 0 JJADLO COc1ccc2c(c1)OC[C@@H](C(=O)N1CC[N@H+](Cc3ccc(Cl)cc3)C[C@H]1CC(C)C)C2 ZINC001460435621 1067634355 /nfs/dbraw/zinc/63/43/55/1067634355.db2.gz ILSIURNLDQJEPA-JTHBVZDNSA-N 1 2 457.014 4.659 20 0 JJADLO COc1ccc2c(c1)OC[C@@H](C(=O)N1CC[N@@H+](Cc3ccc(Cl)cc3)C[C@H]1CC(C)C)C2 ZINC001460435621 1067634361 /nfs/dbraw/zinc/63/43/61/1067634361.db2.gz ILSIURNLDQJEPA-JTHBVZDNSA-N 1 2 457.014 4.659 20 0 JJADLO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](Cc2nnc(-c3ccccc3)s2)CC[C@@H]1C(F)(F)F ZINC001460449878 1067636538 /nfs/dbraw/zinc/63/65/38/1067636538.db2.gz JCFMPSGYZHMYEJ-HOTGVXAUSA-N 1 2 456.534 4.730 20 0 JJADLO CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](Cc2nnc(-c3ccccc3)s2)CC[C@@H]1C(F)(F)F ZINC001460449878 1067636545 /nfs/dbraw/zinc/63/65/45/1067636545.db2.gz JCFMPSGYZHMYEJ-HOTGVXAUSA-N 1 2 456.534 4.730 20 0 JJADLO CC(C)C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1ccnc(NC(=O)C(C)C)c1 ZINC001460465866 1067638997 /nfs/dbraw/zinc/63/89/97/1067638997.db2.gz YROZWKIMUOQNHM-JOCHJYFZSA-N 1 2 457.018 4.702 20 0 JJADLO CC(C)C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1ccnc(NC(=O)C(C)C)c1 ZINC001460465866 1067639006 /nfs/dbraw/zinc/63/90/06/1067639006.db2.gz YROZWKIMUOQNHM-JOCHJYFZSA-N 1 2 457.018 4.702 20 0 JJADLO CC(C)(C)OC(=O)[C@@H]1c2ccccc2CC[N@H+]1CCC(=O)Nc1cccc(Br)c1 ZINC001460474510 1067640477 /nfs/dbraw/zinc/64/04/77/1067640477.db2.gz CPBJWHVLTOBMAQ-NRFANRHFSA-N 1 2 459.384 4.719 20 0 JJADLO CC(C)(C)OC(=O)[C@@H]1c2ccccc2CC[N@@H+]1CCC(=O)Nc1cccc(Br)c1 ZINC001460474510 1067640484 /nfs/dbraw/zinc/64/04/84/1067640484.db2.gz CPBJWHVLTOBMAQ-NRFANRHFSA-N 1 2 459.384 4.719 20 0 JJADLO O[C@@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CC[C@H]1c1ccc(Br)cc1 ZINC001460512283 1067646619 /nfs/dbraw/zinc/64/66/19/1067646619.db2.gz MZFMLHPRYLFTHF-AEFFLSMTSA-N 1 2 459.153 4.537 20 0 JJADLO O[C@@H](COc1cc(F)cc(Br)c1)C[N@H+]1CC[C@H]1c1ccc(Br)cc1 ZINC001460512283 1067646622 /nfs/dbraw/zinc/64/66/22/1067646622.db2.gz MZFMLHPRYLFTHF-AEFFLSMTSA-N 1 2 459.153 4.537 20 0 JJADLO COc1ccccc1-c1ccnc(C2CC[NH+]([C@H](C)C(=O)Nc3ccccc3C(C)=O)CC2)n1 ZINC001460545902 1067654409 /nfs/dbraw/zinc/65/44/09/1067654409.db2.gz UUGCTGLYMZBFBF-GOSISDBHSA-N 1 2 458.562 4.561 20 0 JJADLO CCOC(=O)[C@@H](Cc1cccc2ccccc21)[NH2+]CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001460596415 1067664951 /nfs/dbraw/zinc/66/49/51/1067664951.db2.gz NQGXUYQRBAUAHC-GBXCKJPGSA-N 1 2 454.611 4.941 20 0 JJADLO CCOC(=O)[C@H](Cc1cccc2ccccc21)[NH2+]CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001460596435 1067665071 /nfs/dbraw/zinc/66/50/71/1067665071.db2.gz NQGXUYQRBAUAHC-RDPSFJRHSA-N 1 2 454.611 4.941 20 0 JJADLO COC(=O)[C@@]1(C)C[N@H+](Cc2csc(N(C(C)=O)c3ccc(Cl)c(Cl)c3)n2)C[C@@H]1C ZINC001460619108 1067674598 /nfs/dbraw/zinc/67/45/98/1067674598.db2.gz BYZNEERDLQFBEW-YUNKPMOVSA-N 1 2 456.395 4.766 20 0 JJADLO COC(=O)[C@@]1(C)C[N@@H+](Cc2csc(N(C(C)=O)c3ccc(Cl)c(Cl)c3)n2)C[C@@H]1C ZINC001460619108 1067674605 /nfs/dbraw/zinc/67/46/05/1067674605.db2.gz BYZNEERDLQFBEW-YUNKPMOVSA-N 1 2 456.395 4.766 20 0 JJADLO CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)C[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O ZINC001460619688 1067674618 /nfs/dbraw/zinc/67/46/18/1067674618.db2.gz QMNLILZOWSCYIB-USCONSEESA-N 1 2 477.026 4.665 20 0 JJADLO CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)C[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O ZINC001460619688 1067674623 /nfs/dbraw/zinc/67/46/23/1067674623.db2.gz QMNLILZOWSCYIB-USCONSEESA-N 1 2 477.026 4.665 20 0 JJADLO CCC1(CC)CN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)CCS1 ZINC001546117826 1067677841 /nfs/dbraw/zinc/67/78/41/1067677841.db2.gz QCBHXOYVGUFHTC-NQIIRXRSSA-N 1 2 493.668 4.865 20 0 JJADLO CC(C)Cc1nnc(NC(=O)C[N@@H+]2CCC[C@@]2(C)Cc2ccc(F)c(C(F)(F)F)c2)s1 ZINC001460643024 1067683136 /nfs/dbraw/zinc/68/31/36/1067683136.db2.gz FOELASIDHOIYJG-FQEVSTJZSA-N 1 2 458.525 4.930 20 0 JJADLO CC(C)Cc1nnc(NC(=O)C[N@H+]2CCC[C@@]2(C)Cc2ccc(F)c(C(F)(F)F)c2)s1 ZINC001460643024 1067683142 /nfs/dbraw/zinc/68/31/42/1067683142.db2.gz FOELASIDHOIYJG-FQEVSTJZSA-N 1 2 458.525 4.930 20 0 JJADLO CC(C)(C)OC(=O)NCC[N@H+](CC(=O)N1CC(C)(C)[C@@H]1c1cccs1)Cc1ccccc1 ZINC001460648031 1067685687 /nfs/dbraw/zinc/68/56/87/1067685687.db2.gz FAZAQFYXUYSKQG-QFIPXVFZSA-N 1 2 457.640 4.685 20 0 JJADLO CC(C)(C)OC(=O)NCC[N@@H+](CC(=O)N1CC(C)(C)[C@@H]1c1cccs1)Cc1ccccc1 ZINC001460648031 1067685690 /nfs/dbraw/zinc/68/56/90/1067685690.db2.gz FAZAQFYXUYSKQG-QFIPXVFZSA-N 1 2 457.640 4.685 20 0 JJADLO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)C[NH2+][C@H](CF)c1ccc(F)cc1 ZINC001460659599 1067691542 /nfs/dbraw/zinc/69/15/42/1067691542.db2.gz RHMXANWITVLRIN-HOYKHHGWSA-N 1 2 451.517 4.898 20 0 JJADLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2nc(-c3cc(F)c(F)c(F)c3)no2)C2(CCC2)CC1 ZINC001460706526 1067705805 /nfs/dbraw/zinc/70/58/05/1067705805.db2.gz YDYCLKOQGSXFKI-UHFFFAOYSA-N 1 2 452.477 4.519 20 0 JJADLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2nc(-c3cc(F)c(F)c(F)c3)no2)C2(CCC2)CC1 ZINC001460706526 1067705816 /nfs/dbraw/zinc/70/58/16/1067705816.db2.gz YDYCLKOQGSXFKI-UHFFFAOYSA-N 1 2 452.477 4.519 20 0 JJADLO CC(C)(C)OC(=O)N1CC[NH+](CCOc2ccccc2NC(=O)[C@@H]2C[C@]2(C)c2ccccc2)CC1 ZINC001460711669 1067706678 /nfs/dbraw/zinc/70/66/78/1067706678.db2.gz YPRPQGUTBAMEHS-RBISFHTESA-N 1 2 479.621 4.534 20 0 JJADLO C[C@@H]1C[N@H+](Cc2cc(Cl)cc(Br)c2)C[C@]2(CCN(C(=O)OC(C)(C)C)C2)O1 ZINC001460729402 1067711288 /nfs/dbraw/zinc/71/12/88/1067711288.db2.gz WWPDHNNUAODBKS-VLIAUNLRSA-N 1 2 459.812 4.703 20 0 JJADLO C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Br)c2)C[C@]2(CCN(C(=O)OC(C)(C)C)C2)O1 ZINC001460729402 1067711293 /nfs/dbraw/zinc/71/12/93/1067711293.db2.gz WWPDHNNUAODBKS-VLIAUNLRSA-N 1 2 459.812 4.703 20 0 JJADLO C[C@@]1(C2CC[NH+](CC(=O)Nc3ccccc3Sc3ccc(Cl)cc3)CC2)COC(=O)N1 ZINC001460786818 1067723637 /nfs/dbraw/zinc/72/36/37/1067723637.db2.gz KPWLABNCJFSJIG-QHCPKHFHSA-N 1 2 459.999 4.640 20 0 JJADLO O=C(CC[N@@H+]1CCc2ccc(Br)c(F)c2C1)Nc1cccc(Br)c1 ZINC001460794529 1067725071 /nfs/dbraw/zinc/72/50/71/1067725071.db2.gz NJHOFKCMFKZWSO-UHFFFAOYSA-N 1 2 456.153 4.738 20 0 JJADLO O=C(CC[N@H+]1CCc2ccc(Br)c(F)c2C1)Nc1cccc(Br)c1 ZINC001460794529 1067725075 /nfs/dbraw/zinc/72/50/75/1067725075.db2.gz NJHOFKCMFKZWSO-UHFFFAOYSA-N 1 2 456.153 4.738 20 0 JJADLO Cc1cc(C)c(CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)c(Cl)c2)C3=O)c[nH+]1 ZINC001460891706 1067744280 /nfs/dbraw/zinc/74/42/80/1067744280.db2.gz UUGQVDGKHYPIQB-UHFFFAOYSA-N 1 2 454.313 4.736 20 0 JJADLO CC(=O)N(c1nc(C[N@H+]2C[C@@H](Cc3ccccc3)[C@H](O)C2)cs1)c1ccc(C(F)(F)F)cc1 ZINC001460930339 1067750001 /nfs/dbraw/zinc/75/00/01/1067750001.db2.gz HXOBSXPHYHCAMB-XMSQKQJNSA-N 1 2 475.536 4.882 20 0 JJADLO CC(=O)N(c1nc(C[N@@H+]2C[C@@H](Cc3ccccc3)[C@H](O)C2)cs1)c1ccc(C(F)(F)F)cc1 ZINC001460930339 1067750009 /nfs/dbraw/zinc/75/00/09/1067750009.db2.gz HXOBSXPHYHCAMB-XMSQKQJNSA-N 1 2 475.536 4.882 20 0 JJADLO CCc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]Cc2n[nH]cc2Br)cc1 ZINC001461235137 1067806453 /nfs/dbraw/zinc/80/64/53/1067806453.db2.gz YKFUDDUKGLEXKZ-UHFFFAOYSA-N 1 2 450.384 4.936 20 0 JJADLO COc1ccccc1[C@@H]([NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1)c1ccco1 ZINC001461317189 1067826748 /nfs/dbraw/zinc/82/67/48/1067826748.db2.gz RFRIWKBFYIFPCU-RUZDIDTESA-N 1 2 456.970 4.532 20 0 JJADLO CCS(=O)(=O)c1ccc(C[NH2+]Cc2csc(-c3cccc(Br)c3)n2)cc1 ZINC001461463263 1067862782 /nfs/dbraw/zinc/86/27/82/1067862782.db2.gz QSEXPPMLPWRYNU-UHFFFAOYSA-N 1 2 451.411 4.656 20 0 JJADLO CC(C)(C)OC(=O)N1CC[NH+](CCOc2ccccc2NCc2cccc3ccoc32)CC1 ZINC001461557499 1067887713 /nfs/dbraw/zinc/88/77/13/1067887713.db2.gz DJDFBGQZBIHABK-UHFFFAOYSA-N 1 2 451.567 4.976 20 0 JJADLO Fc1cccc(CN[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)c1I ZINC001461755834 1067931372 /nfs/dbraw/zinc/93/13/72/1067931372.db2.gz OFWYAAFNUZKZRU-NVXWUHKLSA-N 1 2 478.271 4.583 20 0 JJADLO Fc1cccc(CN[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)c1I ZINC001461755834 1067931374 /nfs/dbraw/zinc/93/13/74/1067931374.db2.gz OFWYAAFNUZKZRU-NVXWUHKLSA-N 1 2 478.271 4.583 20 0 JJADLO Fc1cncc(Br)c1C[NH2+]Cc1ccc(Br)c(Br)c1 ZINC001461784619 1067936894 /nfs/dbraw/zinc/93/68/94/1067936894.db2.gz AMTFFTVZFRJVNY-UHFFFAOYSA-N 1 2 452.947 4.798 20 0 JJADLO CC[N@H+](CCOc1ccc(Br)cc1)Cc1cn(-c2ccc(F)cc2Cl)nn1 ZINC001461842142 1067945366 /nfs/dbraw/zinc/94/53/66/1067945366.db2.gz DYSPDLCWDJLHFF-UHFFFAOYSA-N 1 2 453.743 4.723 20 0 JJADLO CC[N@@H+](CCOc1ccc(Br)cc1)Cc1cn(-c2ccc(F)cc2Cl)nn1 ZINC001461842142 1067945370 /nfs/dbraw/zinc/94/53/70/1067945370.db2.gz DYSPDLCWDJLHFF-UHFFFAOYSA-N 1 2 453.743 4.723 20 0 JJADLO CC[C@H]1C[N@H+](Cc2cn(-c3cccc(Cl)c3Cl)nn2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001461860501 1067949099 /nfs/dbraw/zinc/94/90/99/1067949099.db2.gz COHKCXISJKSHMR-WMLDXEAASA-N 1 2 454.402 4.699 20 0 JJADLO CC[C@H]1C[N@@H+](Cc2cn(-c3cccc(Cl)c3Cl)nn2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001461860501 1067949106 /nfs/dbraw/zinc/94/91/06/1067949106.db2.gz COHKCXISJKSHMR-WMLDXEAASA-N 1 2 454.402 4.699 20 0 JJADLO Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2cc(Br)cc(Br)c2N)n1 ZINC001461865142 1067950402 /nfs/dbraw/zinc/95/04/02/1067950402.db2.gz CRUQLAHEHZPGBL-HNNXBMFYSA-N 1 2 454.210 4.574 20 0 JJADLO Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2cc(Br)cc(Br)c2N)n1 ZINC001461865142 1067950409 /nfs/dbraw/zinc/95/04/09/1067950409.db2.gz CRUQLAHEHZPGBL-HNNXBMFYSA-N 1 2 454.210 4.574 20 0 JJADLO CCOc1cc(C[N@@H+]2CCCC[C@@H]2[C@H](C)NC(=O)OC(C)(C)C)cc(Br)c1O ZINC001461890116 1067955428 /nfs/dbraw/zinc/95/54/28/1067955428.db2.gz YBJVUUAYWDTALO-WMLDXEAASA-N 1 2 457.409 4.821 20 0 JJADLO CCOc1cc(C[N@H+]2CCCC[C@@H]2[C@H](C)NC(=O)OC(C)(C)C)cc(Br)c1O ZINC001461890116 1067955431 /nfs/dbraw/zinc/95/54/31/1067955431.db2.gz YBJVUUAYWDTALO-WMLDXEAASA-N 1 2 457.409 4.821 20 0 JJADLO NC(=O)N[C@@H]1CC[N@H+](Cc2ccc(Br)cc2Oc2ccc(Cl)c(Cl)c2)C1 ZINC001461929679 1067962960 /nfs/dbraw/zinc/96/29/60/1067962960.db2.gz XSJFGRDTEPAZPD-CYBMUJFWSA-N 1 2 459.171 4.791 20 0 JJADLO NC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2Oc2ccc(Cl)c(Cl)c2)C1 ZINC001461929679 1067962962 /nfs/dbraw/zinc/96/29/62/1067962962.db2.gz XSJFGRDTEPAZPD-CYBMUJFWSA-N 1 2 459.171 4.791 20 0 JJADLO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@H+]1CCCN(C(=O)C(C)C)CC1 ZINC001461942533 1067965643 /nfs/dbraw/zinc/96/56/43/1067965643.db2.gz HLPAORMZAAWXFJ-UHFFFAOYSA-N 1 2 450.558 4.802 20 0 JJADLO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@@H+]1CCCN(C(=O)C(C)C)CC1 ZINC001461942533 1067965659 /nfs/dbraw/zinc/96/56/59/1067965659.db2.gz HLPAORMZAAWXFJ-UHFFFAOYSA-N 1 2 450.558 4.802 20 0 JJADLO CCOc1cc(C[N@@H+]2CCc3c(F)cc(F)cc3C2)ccc1OCc1ccc(C(=O)OC)o1 ZINC001461971442 1067972069 /nfs/dbraw/zinc/97/20/69/1067972069.db2.gz XDPPMTMORUMYBT-UHFFFAOYSA-N 1 2 457.473 4.880 20 0 JJADLO CCOc1cc(C[N@H+]2CCc3c(F)cc(F)cc3C2)ccc1OCc1ccc(C(=O)OC)o1 ZINC001461971442 1067972077 /nfs/dbraw/zinc/97/20/77/1067972077.db2.gz XDPPMTMORUMYBT-UHFFFAOYSA-N 1 2 457.473 4.880 20 0 JJADLO CCCS(=O)(=O)NC1CC[NH+](Cc2cc(F)ccc2Oc2ccc(SC)cc2)CC1 ZINC001461976695 1067973387 /nfs/dbraw/zinc/97/33/87/1067973387.db2.gz HSSCFBGMMQIHGC-UHFFFAOYSA-N 1 2 452.617 4.634 20 0 JJADLO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1cc(F)cc(CNC(=O)C(F)(F)F)c1 ZINC001462005654 1067978709 /nfs/dbraw/zinc/97/87/09/1067978709.db2.gz CBOONQVASCFJAS-DENIHFKCSA-N 1 2 479.518 4.737 20 0 JJADLO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1cc(F)cc(CNC(=O)C(F)(F)F)c1 ZINC001462005654 1067978716 /nfs/dbraw/zinc/97/87/16/1067978716.db2.gz CBOONQVASCFJAS-DENIHFKCSA-N 1 2 479.518 4.737 20 0 JJADLO COC(=O)c1ccc(-c2ccc(CN3CC[NH+](CCOc4ccc(Cl)cc4)CC3)o2)cc1 ZINC001462019629 1067982413 /nfs/dbraw/zinc/98/24/13/1067982413.db2.gz KTGFNWPPWPAFNO-UHFFFAOYSA-N 1 2 454.954 4.583 20 0 JJADLO CC(C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001462039798 1067986657 /nfs/dbraw/zinc/98/66/57/1067986657.db2.gz SVZMOACGFRUTBN-INIZCTEOSA-N 1 2 456.530 4.562 20 0 JJADLO CC(C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001462039798 1067986663 /nfs/dbraw/zinc/98/66/63/1067986663.db2.gz SVZMOACGFRUTBN-INIZCTEOSA-N 1 2 456.530 4.562 20 0 JJADLO Brc1cncc(Br)c1C[NH2+]Cc1ccnc(N2CCCCCC2)c1 ZINC001462045159 1067988424 /nfs/dbraw/zinc/98/84/24/1067988424.db2.gz COEZTKLNPPAXAE-UHFFFAOYSA-N 1 2 454.210 4.672 20 0 JJADLO C[N@H+](CCc1nc(-c2ccccc2)no1)Cc1cc(Br)sc1Br ZINC001462241435 1068036022 /nfs/dbraw/zinc/03/60/22/1068036022.db2.gz UYCVOKTZDTUIHE-UHFFFAOYSA-N 1 2 457.191 4.998 20 0 JJADLO C[N@@H+](CCc1nc(-c2ccccc2)no1)Cc1cc(Br)sc1Br ZINC001462241435 1068036034 /nfs/dbraw/zinc/03/60/34/1068036034.db2.gz UYCVOKTZDTUIHE-UHFFFAOYSA-N 1 2 457.191 4.998 20 0 JJADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)c3cccnc3SCC3CCCCC3)C2)cc1 ZINC001462248218 1068037470 /nfs/dbraw/zinc/03/74/70/1068037470.db2.gz ZOHLNPPLKVMCCZ-QHCPKHFHSA-N 1 2 453.652 4.693 20 0 JJADLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)c3cccnc3SCC3CCCCC3)C2)cc1 ZINC001462248218 1068037481 /nfs/dbraw/zinc/03/74/81/1068037481.db2.gz ZOHLNPPLKVMCCZ-QHCPKHFHSA-N 1 2 453.652 4.693 20 0 JJADLO COC(=O)c1ccc(N2CC[NH+](Cc3ccccc3OCc3ccc(F)cc3F)CC2)s1 ZINC001462316268 1068050296 /nfs/dbraw/zinc/05/02/96/1068050296.db2.gz YTNXMMRWUBBZJS-UHFFFAOYSA-N 1 2 458.530 4.714 20 0 JJADLO CC(C)(C)OC(=O)N1CCC12CC[NH+](Cc1cn(-c3ccc(Cl)cc3Cl)nn1)CC2 ZINC001462355430 1068058332 /nfs/dbraw/zinc/05/83/32/1068058332.db2.gz IBQWJBXFHBFZTJ-UHFFFAOYSA-N 1 2 452.386 4.550 20 0 JJADLO O=C(NCc1ccccc1)[C@H]1CC[N@@H+](Cc2c(F)ccc(C(F)(F)F)c2Br)C1 ZINC001462374835 1068062644 /nfs/dbraw/zinc/06/26/44/1068062644.db2.gz KGRQMLFEGWEIMF-AWEZNQCLSA-N 1 2 459.281 4.745 20 0 JJADLO O=C(NCc1ccccc1)[C@H]1CC[N@H+](Cc2c(F)ccc(C(F)(F)F)c2Br)C1 ZINC001462374835 1068062659 /nfs/dbraw/zinc/06/26/59/1068062659.db2.gz KGRQMLFEGWEIMF-AWEZNQCLSA-N 1 2 459.281 4.745 20 0 JJADLO CCC1(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N(C)CC[NH+]2CCOCC2)CCCC1 ZINC001546131172 1068062831 /nfs/dbraw/zinc/06/28/31/1068062831.db2.gz RBISHMVJMBRMSE-UHFFFAOYSA-N 1 2 453.675 4.981 20 0 JJADLO COc1ccc(C2CC2)c(NC(=O)C[N@H+](CCNC(=O)OC(C)(C)C)Cc2ccccc2)c1 ZINC001462440891 1068074430 /nfs/dbraw/zinc/07/44/30/1068074430.db2.gz KVZVVBDCQQLUTR-UHFFFAOYSA-N 1 2 453.583 4.538 20 0 JJADLO COc1ccc(C2CC2)c(NC(=O)C[N@@H+](CCNC(=O)OC(C)(C)C)Cc2ccccc2)c1 ZINC001462440891 1068074445 /nfs/dbraw/zinc/07/44/45/1068074445.db2.gz KVZVVBDCQQLUTR-UHFFFAOYSA-N 1 2 453.583 4.538 20 0 JJADLO CCc1ccc(C[NH+]2CCN(C(=O)c3cc(OCC(F)(F)F)c4ccccc4n3)CC2)cc1 ZINC001462474424 1068081177 /nfs/dbraw/zinc/08/11/77/1068081177.db2.gz XKYRRRGYOCDWFZ-UHFFFAOYSA-N 1 2 457.496 4.696 20 0 JJADLO CCO[C@@H]1C[C@@H]([N@@H+]2CCc3sc(CNC(=O)OC(C)(C)C)nc3C2)[C@H]1Sc1ccccc1 ZINC001462548297 1068096079 /nfs/dbraw/zinc/09/60/79/1068096079.db2.gz OMXOVUGBZKGZNS-WOIUINJBSA-N 1 2 475.680 4.864 20 0 JJADLO CCO[C@@H]1C[C@@H]([N@H+]2CCc3sc(CNC(=O)OC(C)(C)C)nc3C2)[C@H]1Sc1ccccc1 ZINC001462548297 1068096093 /nfs/dbraw/zinc/09/60/93/1068096093.db2.gz OMXOVUGBZKGZNS-WOIUINJBSA-N 1 2 475.680 4.864 20 0 JJADLO CC(=O)N(c1nc(C[NH2+][C@@H]2CCCCC23OCCO3)cs1)c1cccc(C(F)(F)F)c1 ZINC001462660530 1068126554 /nfs/dbraw/zinc/12/65/54/1068126554.db2.gz CGSVRIBMFXFFKQ-GOSISDBHSA-N 1 2 455.502 4.622 20 0 JJADLO COc1ccc(C(C)(C)C)cc1S(=O)(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC001462827871 1068180299 /nfs/dbraw/zinc/18/02/99/1068180299.db2.gz WZUDHBGIBJHRJJ-HXUWFJFHSA-N 1 2 451.032 4.762 20 0 JJADLO Cc1ccc(S(=O)(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)c(F)c1F ZINC001463038076 1068259572 /nfs/dbraw/zinc/25/95/72/1068259572.db2.gz ZAEKTIFQGLNJDX-UHFFFAOYSA-N 1 2 453.514 4.664 20 0 JJADLO Cc1cc([C@@H](NS(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)c2ccccc2Cl)ccc1F ZINC001463199123 1068317763 /nfs/dbraw/zinc/31/77/63/1068317763.db2.gz APZPLDPSVARWCD-XMMPIXPASA-N 1 2 458.986 4.843 20 0 JJADLO Cc1cc([C@@H](NS(=O)(=O)c2cccc3c2CC[N@H+](C)C3)c2ccccc2Cl)ccc1F ZINC001463199123 1068317775 /nfs/dbraw/zinc/31/77/75/1068317775.db2.gz APZPLDPSVARWCD-XMMPIXPASA-N 1 2 458.986 4.843 20 0 JJADLO O=C(NCc1cc(Oc2cccc(Cl)c2)ccn1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC001463229337 1068328200 /nfs/dbraw/zinc/32/82/00/1068328200.db2.gz ZHMOBSXROCWKCP-QHCPKHFHSA-N 1 2 453.995 4.934 20 0 JJADLO COc1ccc(CN(c2cc[nH+]cc2)S(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)cc1 ZINC001463351080 1068367539 /nfs/dbraw/zinc/36/75/39/1068367539.db2.gz UUTJNLPZQYFNAZ-UHFFFAOYSA-N 1 2 457.861 4.553 20 0 JJADLO COc1ccc(-c2nc(C(=O)N3CCC[C@H](c4c[nH+]cn4C(C)(C)C)C3)cs2)cc1OC ZINC001463448609 1068400432 /nfs/dbraw/zinc/40/04/32/1068400432.db2.gz GFGXNMBKWMNGBA-KRWDZBQOSA-N 1 2 454.596 4.799 20 0 JJADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N2CCCCC[C@@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC001463639896 1068478302 /nfs/dbraw/zinc/47/83/02/1068478302.db2.gz JPXOUOZZKTYREZ-OAQYLSRUSA-N 1 2 452.542 4.999 20 0 JJADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N2CCCCC[C@@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC001463639896 1068478308 /nfs/dbraw/zinc/47/83/08/1068478308.db2.gz JPXOUOZZKTYREZ-OAQYLSRUSA-N 1 2 452.542 4.999 20 0 JJADLO CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC001463647482 1068480124 /nfs/dbraw/zinc/48/01/24/1068480124.db2.gz CNWHNHZBAWUYMQ-HXUWFJFHSA-N 1 2 452.357 4.584 20 0 JJADLO CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC001463647482 1068480128 /nfs/dbraw/zinc/48/01/28/1068480128.db2.gz CNWHNHZBAWUYMQ-HXUWFJFHSA-N 1 2 452.357 4.584 20 0 JJADLO C[N@H+](CCC(F)(F)F)[C@@H](CNS(=O)(=O)c1cc(F)ccc1F)c1ccc(Cl)cc1 ZINC001463700956 1068499100 /nfs/dbraw/zinc/49/91/00/1068499100.db2.gz SDLCWGSGGLBQKS-INIZCTEOSA-N 1 2 456.864 4.522 20 0 JJADLO C[N@@H+](CCC(F)(F)F)[C@@H](CNS(=O)(=O)c1cc(F)ccc1F)c1ccc(Cl)cc1 ZINC001463700956 1068499106 /nfs/dbraw/zinc/49/91/06/1068499106.db2.gz SDLCWGSGGLBQKS-INIZCTEOSA-N 1 2 456.864 4.522 20 0 JJADLO CC[N@H+](CC(=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1)Cc1ccccc1Cl ZINC001463711515 1068502245 /nfs/dbraw/zinc/50/22/45/1068502245.db2.gz HCHDOGVZQGBBHV-UHFFFAOYSA-N 1 2 453.936 4.525 20 0 JJADLO CC[N@@H+](CC(=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1)Cc1ccccc1Cl ZINC001463711515 1068502256 /nfs/dbraw/zinc/50/22/56/1068502256.db2.gz HCHDOGVZQGBBHV-UHFFFAOYSA-N 1 2 453.936 4.525 20 0 JJADLO O=C(c1cc(C(F)(F)F)n[nH]1)N1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC001463733461 1068507592 /nfs/dbraw/zinc/50/75/92/1068507592.db2.gz BXBJXPZKNQIULZ-UHFFFAOYSA-N 1 2 454.905 4.768 20 0 JJADLO Cc1cc2c(o1)c(C(=O)N1CCN(c3cc(C)[nH+]c(C(C)C)n3)CC1)ccc2Br ZINC001463773406 1068520668 /nfs/dbraw/zinc/52/06/68/1068520668.db2.gz VFTYJKAMXLESEE-UHFFFAOYSA-N 1 2 457.372 4.688 20 0 JJADLO C[C@@H](c1ccccc1F)[C@H](O)C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC001463802704 1068530929 /nfs/dbraw/zinc/53/09/29/1068530929.db2.gz ZJFRRRADYNMMKH-XDHUDOTRSA-N 1 2 456.558 4.502 20 0 JJADLO CC(C)COc1ncc(C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1Cl ZINC001463813812 1068534479 /nfs/dbraw/zinc/53/44/79/1068534479.db2.gz XAQDJKVONDNZOG-UHFFFAOYSA-N 1 2 455.908 4.747 20 0 JJADLO Cc1c2cccc(Cl)c2[nH]c1C(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001464041451 1068597390 /nfs/dbraw/zinc/59/73/90/1068597390.db2.gz IIKZWHGHGLGWSJ-UHFFFAOYSA-N 1 2 451.876 4.986 20 0 JJADLO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)[nH]n2)CC1 ZINC001464087629 1068610413 /nfs/dbraw/zinc/61/04/13/1068610413.db2.gz QGSOIBOGFGKHBT-UHFFFAOYSA-N 1 2 458.484 4.632 20 0 JJADLO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)[nH]n2)CC1 ZINC001464087629 1068610419 /nfs/dbraw/zinc/61/04/19/1068610419.db2.gz QGSOIBOGFGKHBT-UHFFFAOYSA-N 1 2 458.484 4.632 20 0 JJADLO Cc1c(N)c(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)ccc1Br ZINC001464130331 1068626495 /nfs/dbraw/zinc/62/64/95/1068626495.db2.gz KLFPZTWYRFVQTJ-KRWDZBQOSA-N 1 2 454.771 4.699 20 0 JJADLO CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC001464130348 1068627190 /nfs/dbraw/zinc/62/71/90/1068627190.db2.gz LISFYCKGAJWOIC-LPHOPBHVSA-N 1 2 453.986 4.522 20 0 JJADLO C[C@@H](CNC(=O)c1cc2cc(Br)ccc2s1)[NH+]1CCN(c2ccccc2)CC1 ZINC001464196782 1068652122 /nfs/dbraw/zinc/65/21/22/1068652122.db2.gz KNIWELYYPALJOH-INIZCTEOSA-N 1 2 458.425 4.604 20 0 JJADLO C[C@H](CNC(=O)c1cc2cc(Br)ccc2s1)[NH+]1CCN(c2ccccc2)CC1 ZINC001464196784 1068652227 /nfs/dbraw/zinc/65/22/27/1068652227.db2.gz KNIWELYYPALJOH-MRXNPFEDSA-N 1 2 458.425 4.604 20 0 JJADLO CCCc1cc(C(=O)NC[C@H](c2ccc(Cl)cc2)[N@@H+]2CCc3sccc3C2)cc(=O)[nH]1 ZINC001464205725 1068656199 /nfs/dbraw/zinc/65/61/99/1068656199.db2.gz GZOQHXPGHOMAMU-OAQYLSRUSA-N 1 2 456.011 4.984 20 0 JJADLO CCCc1cc(C(=O)NC[C@H](c2ccc(Cl)cc2)[N@H+]2CCc3sccc3C2)cc(=O)[nH]1 ZINC001464205725 1068656206 /nfs/dbraw/zinc/65/62/06/1068656206.db2.gz GZOQHXPGHOMAMU-OAQYLSRUSA-N 1 2 456.011 4.984 20 0 JJADLO Cc1nc(NCc2cccc(C(=O)Nc3ccc(C(=O)NCC(C)C)c(Cl)c3)c2)cc[nH+]1 ZINC001464349554 1068714954 /nfs/dbraw/zinc/71/49/54/1068714954.db2.gz QUOSTYLRASAKAM-UHFFFAOYSA-N 1 2 451.958 4.689 20 0 JJADLO O=S(=O)(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)c1ccc2ccccc2c1Br ZINC001464355806 1068717191 /nfs/dbraw/zinc/71/71/91/1068717191.db2.gz BDJYWTKIWWDSOS-IBGZPJMESA-N 1 2 456.365 4.519 20 0 JJADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc4c(c3)CCN4C(=O)OC(C)(C)C)n2)C1 ZINC001464379750 1068724708 /nfs/dbraw/zinc/72/47/08/1068724708.db2.gz JTPPCYBNICYBHE-MRXNPFEDSA-N 1 2 456.612 4.925 20 0 JJADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc4c(c3)CCN4C(=O)OC(C)(C)C)n2)C1 ZINC001464379750 1068724715 /nfs/dbraw/zinc/72/47/15/1068724715.db2.gz JTPPCYBNICYBHE-MRXNPFEDSA-N 1 2 456.612 4.925 20 0 JJADLO Cc1nc(NCc2cccc(C(=O)Nc3ccc(=O)n(Cc4ccccc4Cl)c3)c2)cc[nH+]1 ZINC001464395607 1068730207 /nfs/dbraw/zinc/73/02/07/1068730207.db2.gz PFOAXEKUANLRCN-UHFFFAOYSA-N 1 2 459.937 4.513 20 0 JJADLO CCC[NH+]1CCN(c2ccc(NC(=O)c3ccc(Br)cc3O)cc2Cl)CC1 ZINC001464461288 1068755047 /nfs/dbraw/zinc/75/50/47/1068755047.db2.gz FMWAXHTZFFDPQT-UHFFFAOYSA-N 1 2 452.780 4.592 20 0 JJADLO Cc1[nH]c([C@H]2CCCN2S(=O)(=O)c2csnc2-c2cccc(C(F)(F)F)c2)[nH+]c1C ZINC001464515125 1068770107 /nfs/dbraw/zinc/77/01/07/1068770107.db2.gz HEFWQOIQNJVDCV-OAHLLOKOSA-N 1 2 456.515 4.695 20 0 JJADLO C[C@@H](C(=O)Nc1ccc(OCc2ccccc2F)cc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001464517142 1068770702 /nfs/dbraw/zinc/77/07/02/1068770702.db2.gz BEDVLAOPXMTXSW-IBGZPJMESA-N 1 2 451.517 4.693 20 0 JJADLO CC(=O)N[C@H](CCC(C)C)C(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC001464711442 1068834424 /nfs/dbraw/zinc/83/44/24/1068834424.db2.gz BFKGTVLQQVBKHR-RPBOFIJWSA-N 1 2 456.030 4.515 20 0 JJADLO O=C(C[C@@H](O)c1cccc(F)c1)N1CC[NH+]([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC001464711257 1068834725 /nfs/dbraw/zinc/83/47/25/1068834725.db2.gz AGAYHMMMEAZWKA-AOYPEHQESA-N 1 2 452.957 4.836 20 0 JJADLO FC(F)(c1ccc(Cl)nc1Cl)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164418545 718889604 /nfs/dbraw/zinc/88/96/04/718889604.db2.gz OXKUEQFYDJVKQG-GFCCVEGCSA-N 1 2 478.124 4.921 20 0 JJADLO FC(F)(c1ccnc(Cl)c1Cl)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164418525 718890152 /nfs/dbraw/zinc/89/01/52/718890152.db2.gz ORRAMDVJVLIIKW-GFCCVEGCSA-N 1 2 478.124 4.921 20 0 JJADLO CSc1cnc(Cl)c(C(F)(F)N2CCO[C@H](c3[nH+]cn4c3cccc4Br)C2)c1 ZINC001164416594 718890558 /nfs/dbraw/zinc/89/05/58/718890558.db2.gz DMDYFELZHUGZCK-AWEZNQCLSA-N 1 2 489.773 4.990 20 0 JJADLO FC(F)(N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1)C1(c2ccnc(Cl)c2)CC1 ZINC001164417940 718891207 /nfs/dbraw/zinc/89/12/07/718891207.db2.gz LQNHVSOFHMBZKG-HNNXBMFYSA-N 1 2 483.744 4.843 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(Cl)nc(SC)n1)CC2 ZINC001164663836 719345708 /nfs/dbraw/zinc/34/57/08/719345708.db2.gz NGZAUIQDCJSALV-UHFFFAOYSA-N 1 2 455.031 4.547 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(Cl)nc(SC)n1)CC2 ZINC001164663836 719345713 /nfs/dbraw/zinc/34/57/13/719345713.db2.gz NGZAUIQDCJSALV-UHFFFAOYSA-N 1 2 455.031 4.547 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(SC)ncc1Cl)CC2 ZINC001164663097 719346724 /nfs/dbraw/zinc/34/67/24/719346724.db2.gz CQUVOCSJZUMRBR-UHFFFAOYSA-N 1 2 455.031 4.547 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(SC)ncc1Cl)CC2 ZINC001164663097 719346725 /nfs/dbraw/zinc/34/67/25/719346725.db2.gz CQUVOCSJZUMRBR-UHFFFAOYSA-N 1 2 455.031 4.547 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc3ccccc3nc1Cl)CC2 ZINC001164664544 719349074 /nfs/dbraw/zinc/34/90/74/719349074.db2.gz XSQKGRPEAWKXQN-UHFFFAOYSA-N 1 2 458.997 4.978 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc3ccccc3nc1Cl)CC2 ZINC001164664544 719349079 /nfs/dbraw/zinc/34/90/79/719349079.db2.gz XSQKGRPEAWKXQN-UHFFFAOYSA-N 1 2 458.997 4.978 20 0 JJADLO CCOC(=O)c1cc(Cl)nc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@H+]3CC)c1C ZINC001164664536 719349923 /nfs/dbraw/zinc/34/99/23/719349923.db2.gz XGTSJOGBOWXPRN-UHFFFAOYSA-N 1 2 494.039 4.915 20 0 JJADLO CCOC(=O)c1cc(Cl)nc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@@H+]3CC)c1C ZINC001164664536 719349927 /nfs/dbraw/zinc/34/99/27/719349927.db2.gz XGTSJOGBOWXPRN-UHFFFAOYSA-N 1 2 494.039 4.915 20 0 JJADLO CCOC(=O)c1ccc2ncnc(N3CCC4(CC3)c3ncc(-c5ccccc5)n3CC[N@H+]4CC)c2c1 ZINC001164663514 719350524 /nfs/dbraw/zinc/35/05/24/719350524.db2.gz JFEMUVSTJADCLQ-UHFFFAOYSA-N 1 2 496.615 4.501 20 0 JJADLO CCOC(=O)c1ccc2ncnc(N3CCC4(CC3)c3ncc(-c5ccccc5)n3CC[N@@H+]4CC)c2c1 ZINC001164663514 719350527 /nfs/dbraw/zinc/35/05/27/719350527.db2.gz JFEMUVSTJADCLQ-UHFFFAOYSA-N 1 2 496.615 4.501 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cnc(OCc3ccccc3)cn1)CC2 ZINC001164658022 719352373 /nfs/dbraw/zinc/35/23/73/719352373.db2.gz BCJOZAMGQRXNHT-UHFFFAOYSA-N 1 2 480.616 4.750 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cnc(OCc3ccccc3)cn1)CC2 ZINC001164658022 719352376 /nfs/dbraw/zinc/35/23/76/719352376.db2.gz BCJOZAMGQRXNHT-UHFFFAOYSA-N 1 2 480.616 4.750 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc([C@H](CC(=O)OC)C3CC3)ccn1)CC2 ZINC001164660716 719353186 /nfs/dbraw/zinc/35/31/86/719353186.db2.gz XUCNRCXBIZTZRO-RUZDIDTESA-N 1 2 499.659 4.833 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc([C@H](CC(=O)OC)C3CC3)ccn1)CC2 ZINC001164660716 719353189 /nfs/dbraw/zinc/35/31/89/719353189.db2.gz XUCNRCXBIZTZRO-RUZDIDTESA-N 1 2 499.659 4.833 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(C(N)=S)c3ccsc31)CC2 ZINC001164665002 719356152 /nfs/dbraw/zinc/35/61/52/719356152.db2.gz UGALRPPUIJPSDQ-UHFFFAOYSA-N 1 2 488.686 4.625 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(C(N)=S)c3ccsc31)CC2 ZINC001164665002 719356155 /nfs/dbraw/zinc/35/61/55/719356155.db2.gz UGALRPPUIJPSDQ-UHFFFAOYSA-N 1 2 488.686 4.625 20 0 JJADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nc(-c4ccccn4)nc4sccc42)CC3)cc1 ZINC001164678794 719528449 /nfs/dbraw/zinc/52/84/49/719528449.db2.gz NSCWSZCJJXJHBX-UHFFFAOYSA-N 1 2 475.593 4.764 20 0 JJADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nc(-c4ccccn4)nc4sccc42)CC3)cc1 ZINC001164678794 719528458 /nfs/dbraw/zinc/52/84/58/719528458.db2.gz NSCWSZCJJXJHBX-UHFFFAOYSA-N 1 2 475.593 4.764 20 0 JJADLO Fc1cccc(-c2cc(C(F)(F)N3CCc4onc(Cn5cc[nH+]c5)c4C3)cnc2Cl)c1 ZINC001164676521 719566004 /nfs/dbraw/zinc/56/60/04/719566004.db2.gz GKFQBMFBVRKCOA-UHFFFAOYSA-N 1 2 459.859 4.882 20 0 JJADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1ccc(-c2ccnc(Cl)c2)cc1 ZINC001164726001 720312429 /nfs/dbraw/zinc/31/24/29/720312429.db2.gz XHIVBAYIDBXRQZ-OAQYLSRUSA-N 1 2 473.955 4.964 20 0 JJADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)Oc1ccc(-c2ccnc(Cl)c2)cc1 ZINC001164724578 720314624 /nfs/dbraw/zinc/31/46/24/720314624.db2.gz REUDJRMHHQJIRC-NRFANRHFSA-N 1 2 489.954 4.844 20 0 JJADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4c(Cl)ccc5ccc(Cl)nc54)CC3)C2=O)cs1 ZINC001164826945 720383786 /nfs/dbraw/zinc/38/37/86/720383786.db2.gz YYHNLMVXYHBXTE-UHFFFAOYSA-N 1 2 490.460 4.620 20 0 JJADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4c(Cl)ccc5ccc(Cl)nc54)CC3)C2=O)cs1 ZINC001164826945 720383791 /nfs/dbraw/zinc/38/37/91/720383791.db2.gz YYHNLMVXYHBXTE-UHFFFAOYSA-N 1 2 490.460 4.620 20 0 JJADLO FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164757012 720978613 /nfs/dbraw/zinc/97/86/13/720978613.db2.gz LVOIGZXWPXZJJQ-AWEZNQCLSA-N 1 2 468.335 4.741 20 0 JJADLO FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164756445 720979805 /nfs/dbraw/zinc/97/98/05/720979805.db2.gz IJDWWQXLZOEJRI-KRWDZBQOSA-N 1 2 459.928 4.601 20 0 JJADLO FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164756474 720982895 /nfs/dbraw/zinc/98/28/95/720982895.db2.gz IYPTYLGNJXCCFL-QGZVFWFLSA-N 1 2 459.928 4.601 20 0 JJADLO FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164871306 721221687 /nfs/dbraw/zinc/22/16/87/721221687.db2.gz JSXLKFZWVFXEGE-UHFFFAOYSA-N 1 2 471.939 4.613 20 0 JJADLO FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164873355 721222042 /nfs/dbraw/zinc/22/20/42/721222042.db2.gz QWPSNDPKKKDMEF-UHFFFAOYSA-N 1 2 460.912 4.811 20 0 JJADLO FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164770704 721275661 /nfs/dbraw/zinc/27/56/61/721275661.db2.gz XFGXPBDGSRCTHH-GFCCVEGCSA-N 1 2 474.726 4.894 20 0 JJADLO Cc1cccc(-c2cc(C(F)(F)N3Cc4c[nH+]cn4C[C@H](COc4cccnc4)C3)c(Cl)nn2)c1 ZINC001164770732 721276846 /nfs/dbraw/zinc/27/68/46/721276846.db2.gz YHNXFUUFEXVSFF-SFHVURJKSA-N 1 2 496.949 4.957 20 0 JJADLO FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164770716 721278121 /nfs/dbraw/zinc/27/81/21/721278121.db2.gz XSNJYVWTOYNORV-MRXNPFEDSA-N 1 2 471.895 4.847 20 0 JJADLO Fc1ccc(-c2cc(C(F)(F)N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)c(Cl)nn2)cc1 ZINC001164786304 721439043 /nfs/dbraw/zinc/43/90/43/721439043.db2.gz UOQCLOAAJUUSDC-GJZGRUSLSA-N 1 2 465.932 4.506 20 0 JJADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ncnc3cc(-c4ccc(Cl)cc4)sc31)C2 ZINC001165008292 721714459 /nfs/dbraw/zinc/71/44/59/721714459.db2.gz DOQOCMTXJHRSJU-UHFFFAOYSA-N 1 2 468.030 4.854 20 0 JJADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ncnc3cc(-c4ccc(Cl)cc4)sc31)C2 ZINC001165008292 721714465 /nfs/dbraw/zinc/71/44/65/721714465.db2.gz DOQOCMTXJHRSJU-UHFFFAOYSA-N 1 2 468.030 4.854 20 0 JJADLO COc1cccc(-c2cc(C(F)(F)N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)cnc2Cl)c1 ZINC001165011326 721722453 /nfs/dbraw/zinc/72/24/53/721722453.db2.gz OXKHOHIAUFDGDH-UHFFFAOYSA-N 1 2 490.986 4.798 20 0 JJADLO COc1cccc(-c2cc(C(F)(F)N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)cnc2Cl)c1 ZINC001165011326 721722454 /nfs/dbraw/zinc/72/24/54/721722454.db2.gz OXKHOHIAUFDGDH-UHFFFAOYSA-N 1 2 490.986 4.798 20 0 JJADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(-c3ccccc3)nc3ccc(Cl)cc32)CC1 ZINC001164919055 721816642 /nfs/dbraw/zinc/81/66/42/721816642.db2.gz ZDSNXKRRNOFYGU-UHFFFAOYSA-N 1 2 458.997 4.896 20 0 JJADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(-c3cccs3)nc3sc(C)c(C)c32)CC1 ZINC001164917875 721819306 /nfs/dbraw/zinc/81/93/06/721819306.db2.gz KCRZVLMNCYJWCJ-UHFFFAOYSA-N 1 2 464.664 4.983 20 0 JJADLO c1ccc(C[C@@H]2[C@@H](OCC3CC3)CCN2c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)cc1 ZINC001165007457 722271500 /nfs/dbraw/zinc/27/15/00/722271500.db2.gz WOTFPODSTOMLSM-IZLXSDGUSA-N 1 2 454.618 4.652 20 0 JJADLO c1ccc(C[C@@H]2[C@@H](OCC3CC3)CCN2c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC001165007457 722271504 /nfs/dbraw/zinc/27/15/04/722271504.db2.gz WOTFPODSTOMLSM-IZLXSDGUSA-N 1 2 454.618 4.652 20 0 JJADLO CC(C)[C@H]1CCCN1c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCNc1cccc[nH+]1 ZINC001359736032 1064295869 /nfs/dbraw/zinc/29/58/69/1064295869.db2.gz VWDGYIXUSAFQAE-JOCHJYFZSA-N 1 2 497.688 4.915 20 0 JJADLO CC(C)[C@H]1CCN(c2nnc(-c3ccccc3Br)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001359739903 1064308865 /nfs/dbraw/zinc/30/88/65/1064308865.db2.gz IGIAFQVLZFMYEY-SFHVURJKSA-N 1 2 469.431 4.699 20 0 JJADLO CC(C)[C@@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC001359745238 1064318163 /nfs/dbraw/zinc/31/81/63/1064318163.db2.gz DBBIUCNVBNRQFE-HSZRJFAPSA-N 1 2 496.744 4.663 20 0 JJADLO CC(C)[C@@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1 ZINC001359745238 1064318169 /nfs/dbraw/zinc/31/81/69/1064318169.db2.gz DBBIUCNVBNRQFE-HSZRJFAPSA-N 1 2 496.744 4.663 20 0 JJADLO O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)[C@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001434887306 1064319505 /nfs/dbraw/zinc/31/95/05/1064319505.db2.gz SWQVHMDUICTEPJ-PMVMPFDFSA-N 1 2 457.412 4.870 20 0 JJADLO CC(C)[C@H]1OCC[C@@H]1Cn1c(N2CC[NH+](Cc3cccc(Cl)c3)CC2)nnc1C(C)(C)C ZINC001359759641 1064364399 /nfs/dbraw/zinc/36/43/99/1064364399.db2.gz KKMMYVRHSNYRAR-IFMALSPDSA-N 1 2 460.066 4.612 20 0 JJADLO CC(C)Cc1nnc(N(C)Cc2cc(Cl)ccn2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001359779223 1064425156 /nfs/dbraw/zinc/42/51/56/1064425156.db2.gz GUUBEIFKPYQXIJ-FQEVSTJZSA-N 1 2 462.976 4.743 20 0 JJADLO CC(C)Cc1nnc(N(Cc2cccs2)C(C)C)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001359787218 1064442245 /nfs/dbraw/zinc/44/22/45/1064442245.db2.gz WRXDOGBTFRWRQU-FQEVSTJZSA-N 1 2 468.671 4.622 20 0 JJADLO CC(C)Cc1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001359827119 1064509418 /nfs/dbraw/zinc/50/94/18/1064509418.db2.gz VCKAYUZOUYZIKL-LJQANCHMSA-N 1 2 450.553 4.689 20 0 JJADLO C[C@@H](c1cccc(NC(=O)c2cc(Br)cc(N3CCCC3)c2)c1)[NH+]1CCOCC1 ZINC001435096034 1064511539 /nfs/dbraw/zinc/51/15/39/1064511539.db2.gz BGEYJPITJJXBPW-KRWDZBQOSA-N 1 2 458.400 4.695 20 0 JJADLO CC(C)(C)OC(=O)NCC[N@H+](CC(=O)N1CCCCC[C@H]1c1ccco1)Cc1ccccc1 ZINC001435202966 1064589553 /nfs/dbraw/zinc/58/95/53/1064589553.db2.gz UOLHAVRYASONAX-QFIPXVFZSA-N 1 2 455.599 4.750 20 0 JJADLO CC(C)(C)OC(=O)NCC[N@@H+](CC(=O)N1CCCCC[C@H]1c1ccco1)Cc1ccccc1 ZINC001435202966 1064589567 /nfs/dbraw/zinc/58/95/67/1064589567.db2.gz UOLHAVRYASONAX-QFIPXVFZSA-N 1 2 455.599 4.750 20 0 JJADLO CC(C)CC[C@](C)(O)Cn1c(N2CC[NH+](CCOc3ccccc3Cl)CC2)nnc1C(C)(C)C ZINC001359899390 1064606284 /nfs/dbraw/zinc/60/62/84/1064606284.db2.gz NUECGHHKWINBTG-SANMLTNESA-N 1 2 492.108 4.617 20 0 JJADLO CC(C)CCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001359902340 1064614155 /nfs/dbraw/zinc/61/41/55/1064614155.db2.gz NNSUEEHDZCRCOR-FQEVSTJZSA-N 1 2 452.578 4.715 20 0 JJADLO CN(C)c1ccc([NH+]2CCC(NC(=O)c3cc(Cl)c(F)cc3Br)CC2)cc1 ZINC001435288676 1064664800 /nfs/dbraw/zinc/66/48/00/1064664800.db2.gz CREHTDRWVLCNCP-UHFFFAOYSA-N 1 2 454.771 4.706 20 0 JJADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccccc1-c1ccccc1C(=O)OC ZINC001435297581 1064673530 /nfs/dbraw/zinc/67/35/30/1064673530.db2.gz OLWIMMGERKHVFE-UHFFFAOYSA-N 1 2 457.574 4.914 20 0 JJADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1C[C@]1(C)c1cccc(Br)c1 ZINC001435298497 1064674437 /nfs/dbraw/zinc/67/44/37/1064674437.db2.gz XDZYAJAMIPCCCC-ZJSXRUAMSA-N 1 2 456.428 4.887 20 0 JJADLO COc1ccccc1-c1ccc(C(=O)N2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)c(=O)[nH]1 ZINC001435311072 1064685219 /nfs/dbraw/zinc/68/52/19/1064685219.db2.gz WMYQYQASJLNXQZ-QGZVFWFLSA-N 1 2 451.954 4.635 20 0 JJADLO CC(C)CCOCCn1c(-c2ccccn2)nnc1N1CC[NH+]([C@@H](C)c2ccc(F)cc2F)CC1 ZINC001359965306 1064740452 /nfs/dbraw/zinc/74/04/52/1064740452.db2.gz XUOLJBKLJUDKMW-FQEVSTJZSA-N 1 2 484.595 4.564 20 0 JJADLO CC(C)CN(c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC[N@@H+]1CCOC[C@@H]1C)C(C)C ZINC001359986071 1064766636 /nfs/dbraw/zinc/76/66/36/1064766636.db2.gz XTNNUKLQUGOPTK-UXHICEINSA-N 1 2 459.704 4.723 20 0 JJADLO CC(C)CN(c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC[N@H+]1CCOC[C@@H]1C)C(C)C ZINC001359986071 1064766642 /nfs/dbraw/zinc/76/66/42/1064766642.db2.gz XTNNUKLQUGOPTK-UXHICEINSA-N 1 2 459.704 4.723 20 0 JJADLO CC(C)(C)OC(=O)NCC[N@H+](CC(=O)N(c1ccccc1)C1CCCC1)Cc1ccccc1 ZINC001360047660 1064867954 /nfs/dbraw/zinc/86/79/54/1064867954.db2.gz IRITWEAFYGRBAF-UHFFFAOYSA-N 1 2 451.611 4.989 20 0 JJADLO CC(C)(C)OC(=O)NCC[N@@H+](CC(=O)N(c1ccccc1)C1CCCC1)Cc1ccccc1 ZINC001360047660 1064867965 /nfs/dbraw/zinc/86/79/65/1064867965.db2.gz IRITWEAFYGRBAF-UHFFFAOYSA-N 1 2 451.611 4.989 20 0 JJADLO CCC(CC)NC(=O)c1nnc(N2CC[C@H]3CCCC[C@H]3C2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001545892263 1064882612 /nfs/dbraw/zinc/88/26/12/1064882612.db2.gz QYAPDFLTWPPOBC-YADHBBJMSA-N 1 2 481.689 4.503 20 0 JJADLO CCC(CC)NC(=O)c1nnc(N2CC[C@H]3CCCC[C@@H]3C2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001545892261 1064882910 /nfs/dbraw/zinc/88/29/10/1064882910.db2.gz QYAPDFLTWPPOBC-FGZHOGPDSA-N 1 2 481.689 4.503 20 0 JJADLO C/C=C\c1ccc(OCC(=O)N2CC[N@@H+](Cc3ccc(C)nc3)C[C@@H]2[C@H](C)CC)c(OC)c1 ZINC001435626292 1064887974 /nfs/dbraw/zinc/88/79/74/1064887974.db2.gz TXIJKDRUKOAVGB-LZXSFHIYSA-N 1 2 451.611 4.570 20 0 JJADLO C/C=C\c1ccc(OCC(=O)N2CC[N@H+](Cc3ccc(C)nc3)C[C@@H]2[C@H](C)CC)c(OC)c1 ZINC001435626292 1064887986 /nfs/dbraw/zinc/88/79/86/1064887986.db2.gz TXIJKDRUKOAVGB-LZXSFHIYSA-N 1 2 451.611 4.570 20 0 JJADLO COc1cccc([C@H](C)C(=O)N2CC[NH+](CCOC(c3ccccc3)c3ccccc3)CC2)c1 ZINC001435632557 1064893483 /nfs/dbraw/zinc/89/34/83/1064893483.db2.gz OTJYUFYUWMPOIU-QHCPKHFHSA-N 1 2 458.602 4.749 20 0 JJADLO CC(C)CC(=O)N1CCCC[C@@H]1C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC001360071624 1064917630 /nfs/dbraw/zinc/91/76/30/1064917630.db2.gz CMDUSVMHHXQKMA-AREMUKBSSA-N 1 2 458.606 4.642 20 0 JJADLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)CCCCc2nc3ccccc3s2)c2ccc(Cl)cc2)C1 ZINC001435749591 1064974013 /nfs/dbraw/zinc/97/40/13/1064974013.db2.gz OTXRLUYYPUMPCQ-YKSBVNFPSA-N 1 2 458.027 4.851 20 0 JJADLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)CCCCc2nc3ccccc3s2)c2ccc(Cl)cc2)C1 ZINC001435749591 1064974025 /nfs/dbraw/zinc/97/40/25/1064974025.db2.gz OTXRLUYYPUMPCQ-YKSBVNFPSA-N 1 2 458.027 4.851 20 0 JJADLO Cc1cccn2cc(CC(=O)N[C@@H](CNC(=O)OC(C)(C)C)c3ccc4ccccc4c3)[nH+]c12 ZINC001435791749 1064992629 /nfs/dbraw/zinc/99/26/29/1064992629.db2.gz BPZBGEPUQGWRPQ-QHCPKHFHSA-N 1 2 458.562 4.721 20 0 JJADLO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(C)C)C2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001545894097 1065057244 /nfs/dbraw/zinc/05/72/44/1065057244.db2.gz OLNCLJMWGAVQDY-JOCHJYFZSA-N 1 2 481.689 4.503 20 0 JJADLO C[C@]1(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1(Br)Br ZINC001436064946 1065155672 /nfs/dbraw/zinc/15/56/72/1065155672.db2.gz KCNHQLSHDPFFBR-QGZVFWFLSA-N 1 2 453.178 4.721 20 0 JJADLO CCCC[C@@](C)(NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1cccc(Br)c1 ZINC001436130882 1065203554 /nfs/dbraw/zinc/20/35/54/1065203554.db2.gz PYYQESXDXFVPKY-LADGPHEKSA-N 1 2 459.428 4.872 20 0 JJADLO CCCC[C@@](C)(NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cccc(Br)c1 ZINC001436130882 1065203564 /nfs/dbraw/zinc/20/35/64/1065203564.db2.gz PYYQESXDXFVPKY-LADGPHEKSA-N 1 2 459.428 4.872 20 0 JJADLO CCCC[C@](C)(NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1cccc(Br)c1 ZINC001436130886 1065203627 /nfs/dbraw/zinc/20/36/27/1065203627.db2.gz PYYQESXDXFVPKY-VWNXMTODSA-N 1 2 459.428 4.872 20 0 JJADLO CCCC[C@](C)(NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cccc(Br)c1 ZINC001436130886 1065203635 /nfs/dbraw/zinc/20/36/35/1065203635.db2.gz PYYQESXDXFVPKY-VWNXMTODSA-N 1 2 459.428 4.872 20 0 JJADLO CC(C)OC1CCN(c2nnc(CC3CCCC3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001360367368 1065225989 /nfs/dbraw/zinc/22/59/89/1065225989.db2.gz SVDMVTHSGUQHIR-HSZRJFAPSA-N 1 2 475.628 4.986 20 0 JJADLO O=C(CCc1cc(Cl)ccc1Br)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC001436215236 1065257073 /nfs/dbraw/zinc/25/70/73/1065257073.db2.gz SSFUOMPIGDXWKB-UHFFFAOYSA-N 1 2 456.837 4.656 20 0 JJADLO CC(C)OCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001360396719 1065261034 /nfs/dbraw/zinc/26/10/34/1065261034.db2.gz OAEDOBWYOXAOOP-SFHVURJKSA-N 1 2 485.032 4.520 20 0 JJADLO C[N@H+](CCC(F)(F)F)[C@H](CNC(=O)c1cnc2ccccc2c1O)c1ccc(Cl)cc1 ZINC001436228872 1065267425 /nfs/dbraw/zinc/26/74/25/1065267425.db2.gz GWSFKFYZZUWJMV-LJQANCHMSA-N 1 2 451.876 4.537 20 0 JJADLO C[N@@H+](CCC(F)(F)F)[C@H](CNC(=O)c1cnc2ccccc2c1O)c1ccc(Cl)cc1 ZINC001436228872 1065267433 /nfs/dbraw/zinc/26/74/33/1065267433.db2.gz GWSFKFYZZUWJMV-LJQANCHMSA-N 1 2 451.876 4.537 20 0 JJADLO C[C@H](Oc1ccc(F)cc1Br)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001436458553 1065322998 /nfs/dbraw/zinc/32/29/98/1065322998.db2.gz VIECTPGSJSYRPF-LBPRGKRZSA-N 1 2 452.711 4.511 20 0 JJADLO C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(CC(C)(C)C)n1CCCNc1cccc[nH+]1 ZINC001360442533 1065328120 /nfs/dbraw/zinc/32/81/20/1065328120.db2.gz OXUXNQNWNGMGKT-AONNBLCTSA-N 1 2 468.671 4.699 20 0 JJADLO C[C@@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(CC(C)(C)C)n1CCCNc1cccc[nH+]1 ZINC001360442536 1065328228 /nfs/dbraw/zinc/32/82/28/1065328228.db2.gz OXUXNQNWNGMGKT-FPYOTAMTSA-N 1 2 468.671 4.699 20 0 JJADLO CC(C)C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1ccnc(N2CC[C@@H](C)C2)c1 ZINC001436519066 1065340215 /nfs/dbraw/zinc/34/02/15/1065340215.db2.gz AFHMUOXVFLZVKD-HYBUGGRVSA-N 1 2 455.046 4.954 20 0 JJADLO CC(C)C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1ccnc(N2CC[C@@H](C)C2)c1 ZINC001436519066 1065340226 /nfs/dbraw/zinc/34/02/26/1065340226.db2.gz AFHMUOXVFLZVKD-HYBUGGRVSA-N 1 2 455.046 4.954 20 0 JJADLO CC(C)(C)OC(=O)NCC[N@H+](CC(=O)N1CCC(C)(C)c2ccccc21)Cc1ccccc1 ZINC001436560555 1065362601 /nfs/dbraw/zinc/36/26/01/1065362601.db2.gz RVNKTQDRNOTLPK-UHFFFAOYSA-N 1 2 451.611 4.728 20 0 JJADLO CC(C)(C)OC(=O)NCC[N@@H+](CC(=O)N1CCC(C)(C)c2ccccc21)Cc1ccccc1 ZINC001436560555 1065362615 /nfs/dbraw/zinc/36/26/15/1065362615.db2.gz RVNKTQDRNOTLPK-UHFFFAOYSA-N 1 2 451.611 4.728 20 0 JJADLO COc1cccc([C@H]2C[C@H](N(C)C(=O)[C@H](c3ccc(Br)cc3)[NH+]3CCCC3)C2)c1 ZINC001436697816 1065425242 /nfs/dbraw/zinc/42/52/42/1065425242.db2.gz KYSKKPAEQIHZAN-RRPUWOKSSA-N 1 2 457.412 4.999 20 0 JJADLO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2C(C)C)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001545902703 1065467056 /nfs/dbraw/zinc/46/70/56/1065467056.db2.gz VXTFDWLSTHAOCM-HSZRJFAPSA-N 1 2 481.689 4.645 20 0 JJADLO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1)c1ccc(F)cc1 ZINC001360570904 1065564393 /nfs/dbraw/zinc/56/43/93/1065564393.db2.gz XIYLJLYJCGECLU-GOSISDBHSA-N 1 2 450.606 4.833 20 0 JJADLO COc1cc(C(=O)Nc2ccc3[nH+]ccn3c2)ccc1OCc1ccc(Br)s1 ZINC001437897943 1065627543 /nfs/dbraw/zinc/62/75/43/1065627543.db2.gz HRBWXPIDJDHUGM-UHFFFAOYSA-N 1 2 458.337 4.998 20 0 JJADLO CCN(C(=O)c1cc(-c2cccc(F)c2)no1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001360637965 1065701456 /nfs/dbraw/zinc/70/14/56/1065701456.db2.gz PCLDUYWQTLSFEL-UHFFFAOYSA-N 1 2 451.546 4.834 20 0 JJADLO Cc1ccc2[nH+]c(CSCC(=O)N3CCC[C@H](c4nc(C(F)(F)F)cs4)C3)cn2c1 ZINC001545917474 1065739256 /nfs/dbraw/zinc/73/92/56/1065739256.db2.gz JUVSGGFFTIODAR-AWEZNQCLSA-N 1 2 454.543 4.757 20 0 JJADLO O=C(CCc1cccc(F)c1Br)NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC001439112106 1065788635 /nfs/dbraw/zinc/78/86/35/1065788635.db2.gz VCCNFZCWMCRKDR-UHFFFAOYSA-N 1 2 456.359 4.739 20 0 JJADLO CC(C)Oc1ccccc1C(F)(F)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001439272939 1065809022 /nfs/dbraw/zinc/80/90/22/1065809022.db2.gz MQWGACVTXLIZHQ-RTBURBONSA-N 1 2 456.455 4.745 20 0 JJADLO CC(C)Oc1ccccc1C(F)(F)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001439272939 1065809033 /nfs/dbraw/zinc/80/90/33/1065809033.db2.gz MQWGACVTXLIZHQ-RTBURBONSA-N 1 2 456.455 4.745 20 0 JJADLO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC(C)(C)OC[C@@H]2C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001360755652 1065809518 /nfs/dbraw/zinc/80/95/18/1065809518.db2.gz HHCLFYKXDYJICN-ZWKOTPCHSA-N 1 2 485.032 4.585 20 0 JJADLO C[NH+](C)Cc1csc(CNC(=O)[C@H](Oc2cc(Cl)ccc2Cl)c2ccccc2)n1 ZINC001439326733 1065815256 /nfs/dbraw/zinc/81/52/56/1065815256.db2.gz NOULQXQOJTYVMS-HXUWFJFHSA-N 1 2 450.391 4.948 20 0 JJADLO CC(C)[C@@H]1CCCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001360757922 1065821547 /nfs/dbraw/zinc/82/15/47/1065821547.db2.gz KBSFMAJIXMBFOH-QHAWAJNXSA-N 1 2 476.065 4.665 20 0 JJADLO CC(C)[C@@H]1CCCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001360757922 1065821569 /nfs/dbraw/zinc/82/15/69/1065821569.db2.gz KBSFMAJIXMBFOH-QHAWAJNXSA-N 1 2 476.065 4.665 20 0 JJADLO CC(C)[C@H]1CCCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001360757919 1065821625 /nfs/dbraw/zinc/82/16/25/1065821625.db2.gz KBSFMAJIXMBFOH-ACRUOGEOSA-N 1 2 476.065 4.665 20 0 JJADLO CC(C)[C@H]1CCCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001360757919 1065821642 /nfs/dbraw/zinc/82/16/42/1065821642.db2.gz KBSFMAJIXMBFOH-ACRUOGEOSA-N 1 2 476.065 4.665 20 0 JJADLO CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)c1 ZINC001440482211 1065942981 /nfs/dbraw/zinc/94/29/81/1065942981.db2.gz GZILGTLBYSLHGT-UHFFFAOYSA-N 1 2 459.974 4.524 20 0 JJADLO Cc1ccc(C(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)c(C)c1Br ZINC001440485121 1065943471 /nfs/dbraw/zinc/94/34/71/1065943471.db2.gz ONBUARQAFMVHFB-UHFFFAOYSA-N 1 2 451.792 4.556 20 0 JJADLO Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@H](c3cccc(Cl)c3)[NH+](C)C)cc2)cc1 ZINC001440520689 1065946863 /nfs/dbraw/zinc/94/68/63/1065946863.db2.gz QEQAWIJOMAPUAX-QFIPXVFZSA-N 1 2 457.983 4.691 20 0 JJADLO Cc1cccc(O[C@@H](C)c2nnc(N(C)CC(C)(C)C)n2Cc2ccc(N3CCOCC3)[nH+]c2)c1C ZINC001360865653 1065985143 /nfs/dbraw/zinc/98/51/43/1065985143.db2.gz GJKWGDAKYXFPLG-QFIPXVFZSA-N 1 2 492.668 4.797 20 0 JJADLO Cc1cccc(O[C@H](C)c2nnc(N(Cc3ccco3)C(C)C)n2C[C@@H](C)[NH+]2CCOCC2)c1C ZINC001360870684 1066003172 /nfs/dbraw/zinc/00/31/72/1066003172.db2.gz PVGKYRLRIJRLRY-FYYLOGMGSA-N 1 2 481.641 4.764 20 0 JJADLO O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001441318245 1066026723 /nfs/dbraw/zinc/02/67/23/1066026723.db2.gz JUCGMLFKFQPHAQ-FQELHTAISA-N 1 2 470.894 4.914 20 0 JJADLO O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C1=Cc2ccccc2O[C@@H]1C(F)F ZINC001441318271 1066027458 /nfs/dbraw/zinc/02/74/58/1066027458.db2.gz KCZHXDQQNGVTTQ-NQIIRXRSSA-N 1 2 450.888 4.842 20 0 JJADLO CSc1ccc([C@@H](CNC(=O)c2cnn(CC(C)C)c2)[N@@H+]2CCc3sccc3C2)cc1 ZINC001441476145 1066045074 /nfs/dbraw/zinc/04/50/74/1066045074.db2.gz UEZPDPZOIWWTIQ-JOCHJYFZSA-N 1 2 454.665 4.852 20 0 JJADLO CSc1ccc([C@@H](CNC(=O)c2cnn(CC(C)C)c2)[N@H+]2CCc3sccc3C2)cc1 ZINC001441476145 1066045082 /nfs/dbraw/zinc/04/50/82/1066045082.db2.gz UEZPDPZOIWWTIQ-JOCHJYFZSA-N 1 2 454.665 4.852 20 0 JJADLO C[C@H](CNC(=O)c1cc2ccc(Br)cc2s1)[NH+]1CCN(c2ccccc2)CC1 ZINC001441492083 1066046346 /nfs/dbraw/zinc/04/63/46/1066046346.db2.gz IIMBBIKFVFXIQP-MRXNPFEDSA-N 1 2 458.425 4.604 20 0 JJADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2nc(Br)sc2C2CC2)C[C@H](C)O1 ZINC001441659521 1066058498 /nfs/dbraw/zinc/05/84/98/1066058498.db2.gz PZIIZUGIOJJRIO-STQMWFEESA-N 1 2 450.402 4.645 20 0 JJADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cccc(C(=O)N(C)CC(C)(C)C)c1 ZINC001360906704 1066060867 /nfs/dbraw/zinc/06/08/67/1066060867.db2.gz WADMIQWJMHXEKB-UHFFFAOYSA-N 1 2 450.627 4.578 20 0 JJADLO CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2cnc(-c3ccc(OC)c(OC)c3)s2)CC1 ZINC001360928842 1066084909 /nfs/dbraw/zinc/08/49/09/1066084909.db2.gz PNBLJEWOLZNIEB-HXUWFJFHSA-N 1 2 451.592 4.736 20 0 JJADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(Sc2ccccc2Cl)cc1 ZINC001442336338 1066117664 /nfs/dbraw/zinc/11/76/64/1066117664.db2.gz JSSOBPAPCPJLOY-FQEVSTJZSA-N 1 2 456.999 4.926 20 0 JJADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(Sc2ccccc2Cl)cc1 ZINC001442336338 1066117669 /nfs/dbraw/zinc/11/76/69/1066117669.db2.gz JSSOBPAPCPJLOY-FQEVSTJZSA-N 1 2 456.999 4.926 20 0 JJADLO CC[C@@H](Cn1c(C(C)C)nnc1N(CC)CC1CCN(c2cccc[nH+]2)CC1)NC(=O)OC(C)(C)C ZINC001545949951 1066138404 /nfs/dbraw/zinc/13/84/04/1066138404.db2.gz IGDIRQZLSSJSHX-QFIPXVFZSA-N 1 2 499.704 4.843 20 0 JJADLO Cc1c(Cl)cccc1NC(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001360984260 1066145748 /nfs/dbraw/zinc/14/57/48/1066145748.db2.gz QOMBZSRQKWFVSB-UHFFFAOYSA-N 1 2 496.059 4.579 20 0 JJADLO Cc1nnc(Sc2ccc(NC(=O)c3ccc(NCCn4cc[nH+]c4)cc3)c(C)c2)s1 ZINC001442685639 1066151911 /nfs/dbraw/zinc/15/19/11/1066151911.db2.gz XIPLCNGHVVVBCH-UHFFFAOYSA-N 1 2 450.593 4.867 20 0 JJADLO C[C@@H](Nc1ccc(NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)cc1)c1ccccc1 ZINC001442711005 1066154337 /nfs/dbraw/zinc/15/43/37/1066154337.db2.gz TZLBSGKYQWZWNV-CLOONOSVSA-N 1 2 459.594 4.829 20 0 JJADLO C[C@@H](Nc1ccc(NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)cc1)c1ccccc1 ZINC001442711005 1066154343 /nfs/dbraw/zinc/15/43/43/1066154343.db2.gz TZLBSGKYQWZWNV-CLOONOSVSA-N 1 2 459.594 4.829 20 0 JJADLO Cc1cc(C)cc(OCc2nnc(N3CCS[C@H](C)C3)n2CCCc2cccc(C)[nH+]2)c1 ZINC001361039151 1066259661 /nfs/dbraw/zinc/25/96/61/1066259661.db2.gz YPLJUMXTFDHHMD-OAQYLSRUSA-N 1 2 451.640 4.752 20 0 JJADLO Cc1ccc2[nH+]c(CSCC(=O)Nc3cc(Cl)ccc3C(=O)N3CCCCC3)cn2c1 ZINC001443056195 1066260641 /nfs/dbraw/zinc/26/06/41/1066260641.db2.gz RPRUDIORPZHHFN-UHFFFAOYSA-N 1 2 456.999 4.794 20 0 JJADLO CC[C@@]1(C)CC[C@H](Cn2c(N3CC[NH+](Cc4cccc(Cl)c4)CC3)nnc2C(C)(C)C)O1 ZINC001546059229 1066263169 /nfs/dbraw/zinc/26/31/69/1066263169.db2.gz GVZPKAQUJAWYDX-BWKNWUBXSA-N 1 2 460.066 4.899 20 0 JJADLO Cc1cc(C)cc(OCCn2c(CC(C)C)nnc2N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c1 ZINC001361042232 1066266202 /nfs/dbraw/zinc/26/62/02/1066266202.db2.gz XAMUARJIAYKOCZ-UHFFFAOYSA-N 1 2 491.684 4.721 20 0 JJADLO CC(C)(C)OC(=O)N1[C@@H]2CCCC[C@H]2CC[C@H]1C(=O)NCCn1c[nH+]cc1-c1ccccc1 ZINC001454327503 1066270386 /nfs/dbraw/zinc/27/03/86/1066270386.db2.gz KLHVTCNSUHULOD-BDTNDASRSA-N 1 2 452.599 4.625 20 0 JJADLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC001443152715 1066274574 /nfs/dbraw/zinc/27/45/74/1066274574.db2.gz CFVJUGQOZGONHQ-QGZVFWFLSA-N 1 2 457.405 4.829 20 0 JJADLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC001443152715 1066274583 /nfs/dbraw/zinc/27/45/83/1066274583.db2.gz CFVJUGQOZGONHQ-QGZVFWFLSA-N 1 2 457.405 4.829 20 0 JJADLO Cc1nc(NCc2cccc(C(=O)Nc3ccc(N4CCOC[C@@H]4C)c(Cl)c3)c2)cc[nH+]1 ZINC001454356550 1066275066 /nfs/dbraw/zinc/27/50/66/1066275066.db2.gz KHLCDABKKQGIJH-INIZCTEOSA-N 1 2 451.958 4.528 20 0 JJADLO COc1cccc([C@H]2CN(C(=O)C(C)(C)c3csc(-c4c(F)cccc4F)n3)CC[NH2+]2)c1 ZINC001454472732 1066288517 /nfs/dbraw/zinc/28/85/17/1066288517.db2.gz LEHXSRXOJQPYOF-LJQANCHMSA-N 1 2 457.546 4.548 20 0 JJADLO Cc1cc(C)c(O)c(NC(=O)c2cccnc2N2CC[NH+](Cc3cccc(Cl)c3)CC2)c1 ZINC001454598401 1066307992 /nfs/dbraw/zinc/30/79/92/1066307992.db2.gz JHZRIJPGBRWYHB-UHFFFAOYSA-N 1 2 450.970 4.632 20 0 JJADLO CCc1c(NC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)n[nH]c1-c1ccc(Br)cc1 ZINC001443493744 1066318405 /nfs/dbraw/zinc/31/84/05/1066318405.db2.gz BCISZUCBIFNJFZ-OAHLLOKOSA-N 1 2 453.384 4.787 20 0 JJADLO CCc1c(NC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)n[nH]c1-c1ccc(Br)cc1 ZINC001443493744 1066318425 /nfs/dbraw/zinc/31/84/25/1066318425.db2.gz BCISZUCBIFNJFZ-OAHLLOKOSA-N 1 2 453.384 4.787 20 0 JJADLO C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)Sc1ccc(Br)cc1 ZINC001443531699 1066323666 /nfs/dbraw/zinc/32/36/66/1066323666.db2.gz NTARGJPXZNBORG-QRWLVFNGSA-N 1 2 451.405 4.850 20 0 JJADLO C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)Sc1ccc(Br)cc1 ZINC001443531699 1066323682 /nfs/dbraw/zinc/32/36/82/1066323682.db2.gz NTARGJPXZNBORG-QRWLVFNGSA-N 1 2 451.405 4.850 20 0 JJADLO O=C(Nc1ccccc1)Nc1cccc2c1CCN(C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)C2 ZINC001443540301 1066327161 /nfs/dbraw/zinc/32/71/61/1066327161.db2.gz JKGZRDIBWUOSQJ-FQEVSTJZSA-N 1 2 457.456 4.606 20 0 JJADLO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC001443605313 1066336890 /nfs/dbraw/zinc/33/68/90/1066336890.db2.gz QEDOGTAWRKUXNW-KSFYIVLOSA-N 1 2 453.583 4.633 20 0 JJADLO C[Si](C)(C)c1ccc(CC(=O)N(CCCn2cc[nH+]c2)Cc2c(F)cccc2Cl)cc1 ZINC001443633324 1066341432 /nfs/dbraw/zinc/34/14/32/1066341432.db2.gz NBCAJZNWJBOEPY-UHFFFAOYSA-N 1 2 458.053 4.882 20 0 JJADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001443672384 1066347054 /nfs/dbraw/zinc/34/70/54/1066347054.db2.gz HCLBMXKMIWPDML-FPOVZHCZSA-N 1 2 453.505 4.591 20 0 JJADLO Cc1cc(N2CCN(c3nnc(C(C)C)n3C[C@@H](C)Oc3cccc(F)c3)CC2)nc(C(C)C)[nH+]1 ZINC001361102699 1066352313 /nfs/dbraw/zinc/35/23/13/1066352313.db2.gz BWUQQHMRZHXOFH-HXUWFJFHSA-N 1 2 481.620 4.557 20 0 JJADLO Cc1nc(C)c(CCn2c(CC(C)(C)C)nnc2N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)s1 ZINC001361105509 1066354337 /nfs/dbraw/zinc/35/43/37/1066354337.db2.gz MTTMEMIJZMWRGR-UHFFFAOYSA-N 1 2 496.729 4.731 20 0 JJADLO Cc1cc(N2CCN(c3nnc(CC(C)C)n3CCCOc3ccc(F)cc3)CC2)nc(C(C)C)[nH+]1 ZINC001361105758 1066355119 /nfs/dbraw/zinc/35/51/19/1066355119.db2.gz VTUXKLPLXBYRTO-UHFFFAOYSA-N 1 2 495.647 4.633 20 0 JJADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3cccc(COc4cccc(C=O)c4)c3)CC2)c1 ZINC001443739645 1066361480 /nfs/dbraw/zinc/36/14/80/1066361480.db2.gz ZJLHSFPSJSPYPJ-OAQYLSRUSA-N 1 2 458.558 4.606 20 0 JJADLO CCOc1cc(C(=O)N2CC[NH+](Cc3ccc(CC)cc3)CC2)ccc1OCc1cccnc1 ZINC001455228369 1066373493 /nfs/dbraw/zinc/37/34/93/1066373493.db2.gz UHENUKGNBJKWBG-UHFFFAOYSA-N 1 2 459.590 4.580 20 0 JJADLO Cc1occc1CN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001361124193 1066377665 /nfs/dbraw/zinc/37/76/65/1066377665.db2.gz ZNXXWEXPZNEWJG-OAQYLSRUSA-N 1 2 481.641 4.547 20 0 JJADLO C/C=C/[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC001443896508 1066382486 /nfs/dbraw/zinc/38/24/86/1066382486.db2.gz TYBXGVLMAGCFFN-VRJYIHLMSA-N 1 2 480.024 4.619 20 0 JJADLO C/C=C/[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC001443896508 1066382501 /nfs/dbraw/zinc/38/25/01/1066382501.db2.gz TYBXGVLMAGCFFN-VRJYIHLMSA-N 1 2 480.024 4.619 20 0 JJADLO CC(C)(C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)c1cc(C(F)(F)F)ccn1 ZINC001443900545 1066383599 /nfs/dbraw/zinc/38/35/99/1066383599.db2.gz VZMAQCMDDGOIOH-KRWDZBQOSA-N 1 2 457.899 4.951 20 0 JJADLO CC(C)(C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)c1cc(C(F)(F)F)ccn1 ZINC001443900545 1066383608 /nfs/dbraw/zinc/38/36/08/1066383608.db2.gz VZMAQCMDDGOIOH-KRWDZBQOSA-N 1 2 457.899 4.951 20 0 JJADLO Cc1c2ccccc2oc1[C@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1)C(C)C ZINC001443924001 1066386509 /nfs/dbraw/zinc/38/65/09/1066386509.db2.gz GUVXWJZCRDDBNS-JTHBVZDNSA-N 1 2 450.583 4.585 20 0 JJADLO Cc1c2ccccc2oc1[C@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1)C(C)C ZINC001443924001 1066386526 /nfs/dbraw/zinc/38/65/26/1066386526.db2.gz GUVXWJZCRDDBNS-JTHBVZDNSA-N 1 2 450.583 4.585 20 0 JJADLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2cccc(CSc3nccn3C)c2)CC1 ZINC001455455873 1066391898 /nfs/dbraw/zinc/39/18/98/1066391898.db2.gz MGWSLPJHPGQSST-HSZRJFAPSA-N 1 2 452.599 4.761 20 0 JJADLO CC[C@H](C(=O)N(C)[C@@H](c1ccccc1)c1ccccc1Br)[N@@H+]1CCO[C@H](CC)C1 ZINC001455454223 1066391951 /nfs/dbraw/zinc/39/19/51/1066391951.db2.gz PABUPEVSNWRZPP-PTUXOGIPSA-N 1 2 459.428 4.886 20 0 JJADLO CC[C@H](C(=O)N(C)[C@@H](c1ccccc1)c1ccccc1Br)[N@H+]1CCO[C@H](CC)C1 ZINC001455454223 1066391968 /nfs/dbraw/zinc/39/19/68/1066391968.db2.gz PABUPEVSNWRZPP-PTUXOGIPSA-N 1 2 459.428 4.886 20 0 JJADLO Cc1cc(Br)cc2cc(C(=O)NC3CC[NH+](c4ccc(N(C)C)cc4)CC3)oc21 ZINC001361128734 1066392566 /nfs/dbraw/zinc/39/25/66/1066392566.db2.gz DRTGXZKIMYSYKL-UHFFFAOYSA-N 1 2 456.384 4.969 20 0 JJADLO CN(C)c1ccc([NH+]2CCC(NC(=O)c3ccnc(Oc4ccc(F)cc4F)c3)CC2)cc1 ZINC001361128646 1066392832 /nfs/dbraw/zinc/39/28/32/1066392832.db2.gz BJIQVNYMIHDZBJ-UHFFFAOYSA-N 1 2 452.505 4.617 20 0 JJADLO O=C(NCCN(Cc1ccccc1)c1cccc[nH+]1)c1ccccc1C(=O)c1ccc(F)cc1 ZINC001455508058 1066400364 /nfs/dbraw/zinc/40/03/64/1066400364.db2.gz IISHAQCMMDZXMR-UHFFFAOYSA-N 1 2 453.517 4.888 20 0 JJADLO Cc1ncc(CN(C)c2nnc(CC(C)(C)C)n2C[C@@H](c2ccc(C)cc2)[NH+]2CCOCC2)s1 ZINC001361139879 1066416375 /nfs/dbraw/zinc/41/63/75/1066416375.db2.gz QXGPHHHWHHBESM-QHCPKHFHSA-N 1 2 482.698 4.650 20 0 JJADLO COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)[C@H]3CCCC[N@@H+]3Cc3cccnc3)s2)cc1 ZINC001444212542 1066429928 /nfs/dbraw/zinc/42/99/28/1066429928.db2.gz FVRHZGHZCUHQLR-VGOFRKELSA-N 1 2 450.608 4.754 20 0 JJADLO COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)[C@H]3CCCC[N@H+]3Cc3cccnc3)s2)cc1 ZINC001444212542 1066429932 /nfs/dbraw/zinc/42/99/32/1066429932.db2.gz FVRHZGHZCUHQLR-VGOFRKELSA-N 1 2 450.608 4.754 20 0 JJADLO Cc1ccc(C)c(OCc2nnc(N(C)CC[NH+]3CCOCC3)n2[C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC001361148946 1066438219 /nfs/dbraw/zinc/43/82/19/1066438219.db2.gz CHWLUNUKVGDQSD-SFTDATJTSA-N 1 2 495.590 4.536 20 0 JJADLO Cc1ccc(C)c(OCc2nnc(N(C)CCC(F)F)n2Cc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001361149118 1066438602 /nfs/dbraw/zinc/43/86/02/1066438602.db2.gz JAQCSRVFUPLFPN-UHFFFAOYSA-N 1 2 470.568 4.609 20 0 JJADLO Cc1ccc(C)c(OCc2nnc(N(C)CCC(F)(F)F)n2Cc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001361149269 1066439392 /nfs/dbraw/zinc/43/93/92/1066439392.db2.gz OZWIGACXXUZHIY-UHFFFAOYSA-N 1 2 488.558 4.906 20 0 JJADLO Cc1ccc(-c2nnc(N(C)[C@@H](C)c3ccc(F)c(F)c3)n2Cc2ccc(N(C)C)[nH+]c2)o1 ZINC001361169697 1066484100 /nfs/dbraw/zinc/48/41/00/1066484100.db2.gz JDOKZYPCGPBAGV-INIZCTEOSA-N 1 2 452.509 4.831 20 0 JJADLO O=C(CCc1c[nH]c[nH+]1)N[C@H](Cc1c(F)cccc1Cl)c1ccccc1Br ZINC001444621982 1066485094 /nfs/dbraw/zinc/48/50/94/1066485094.db2.gz ZUSWFHHPGXTDNV-LJQANCHMSA-N 1 2 450.739 4.998 20 0 JJADLO O=C(CCc1c[nH+]c[nH]1)N[C@H](Cc1c(F)cccc1Cl)c1ccccc1Br ZINC001444621982 1066485101 /nfs/dbraw/zinc/48/51/01/1066485101.db2.gz ZUSWFHHPGXTDNV-LJQANCHMSA-N 1 2 450.739 4.998 20 0 JJADLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)COc1ccc(Cl)c2ccccc12 ZINC001361172788 1066490130 /nfs/dbraw/zinc/49/01/30/1066490130.db2.gz JTEXEFXPKHEKFY-FQEVSTJZSA-N 1 2 452.982 4.622 20 0 JJADLO Cc1ccc(-c2nnc(N(C)Cc3scnc3C)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)o1 ZINC001361178099 1066498193 /nfs/dbraw/zinc/49/81/93/1066498193.db2.gz ZWFLTCBGLUBQPJ-GOSISDBHSA-N 1 2 472.565 4.829 20 0 JJADLO C[C@@H](c1cccc(NC(=O)[C@@H](CC2CCCCC2)NC(=O)OC(C)(C)C)c1)[NH+]1CCOCC1 ZINC001456181728 1066531460 /nfs/dbraw/zinc/53/14/60/1066531460.db2.gz WDOLYFDPNXPNPL-WMZHIEFXSA-N 1 2 459.631 4.882 20 0 JJADLO CC[C@H](C)n1nc(C)c(-c2cc(C(=O)N3CC[NH+](C4CCC(C(C)C)CC4)CC3)n[nH]2)c1C ZINC001445267005 1066550202 /nfs/dbraw/zinc/55/02/02/1066550202.db2.gz DJJLSGWSLYOXBO-XTWGIRIWSA-N 1 2 454.663 4.834 20 0 JJADLO Cc1ccc(-c2nnc(N3CCC[C@@H](N(C)C(=O)OC(C)(C)C)C3)n2CCCNc2cccc[nH+]2)o1 ZINC001361214645 1066551304 /nfs/dbraw/zinc/55/13/04/1066551304.db2.gz UEZFQUJLPFNYCB-HXUWFJFHSA-N 1 2 495.628 4.579 20 0 JJADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc([C@@H](C)Sc2ccccc2)cc1 ZINC001445363893 1066562627 /nfs/dbraw/zinc/56/26/27/1066562627.db2.gz HJWQLISCYSWOMX-WZONZLPQSA-N 1 2 450.608 4.975 20 0 JJADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc([C@@H](C)Sc2ccccc2)cc1 ZINC001445363893 1066562638 /nfs/dbraw/zinc/56/26/38/1066562638.db2.gz HJWQLISCYSWOMX-WZONZLPQSA-N 1 2 450.608 4.975 20 0 JJADLO Cc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)cc1NC(=O)c1ccc(Br)cc1 ZINC000032488539 1066563965 /nfs/dbraw/zinc/56/39/65/1066563965.db2.gz ZWRJZGGTRCVLAX-UHFFFAOYSA-N 1 2 485.407 4.707 20 0 JJADLO Cc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)cc1NC(=O)c1ccc(Br)cc1 ZINC000032488539 1066563977 /nfs/dbraw/zinc/56/39/77/1066563977.db2.gz ZWRJZGGTRCVLAX-UHFFFAOYSA-N 1 2 485.407 4.707 20 0 JJADLO Cc1ccc(CN(C)c2nnc(Cc3ccncc3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)s1 ZINC001361259222 1066609724 /nfs/dbraw/zinc/60/97/24/1066609724.db2.gz VLNUVJLSEZJNGV-JOCHJYFZSA-N 1 2 482.604 4.851 20 0 JJADLO Cc1ccc(CNC(=O)[C@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)c(O[C@@H](C)CC(C)C)c1 ZINC001446146103 1066666399 /nfs/dbraw/zinc/66/63/99/1066666399.db2.gz OSDZFZDZYFXOMN-VXKWHMMOSA-N 1 2 455.618 4.774 20 0 JJADLO Cc1ccnc(OC2CCN(c3nnc(CC(C)(C)C)n3CCCNc3cccc[nH+]3)CC2)c1 ZINC001492608030 1066668443 /nfs/dbraw/zinc/66/84/43/1066668443.db2.gz OGSLKMTVVFDOQW-UHFFFAOYSA-N 1 2 463.630 4.515 20 0 JJADLO C[C@@H](CC(=O)NCc1cc[nH+]c(N2CCCCCC2)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001446295831 1066687591 /nfs/dbraw/zinc/68/75/91/1066687591.db2.gz WLEALXOJQKNJPV-FQEVSTJZSA-N 1 2 458.647 4.752 20 0 JJADLO Cc1cn2c([nH+]1)[C@@H](Cn1c(C(C)C)nnc1N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1)CCC2 ZINC001492628431 1066699315 /nfs/dbraw/zinc/69/93/15/1066699315.db2.gz FQOZPGPPFOXUSU-JOCHJYFZSA-N 1 2 499.704 4.957 20 0 JJADLO Cc1cn2c([nH+]1)[C@H](Cn1c(-c3ccc(C(C)(C)C)cc3)nnc1N(C)CCCCCO)CCC2 ZINC001492628618 1066700182 /nfs/dbraw/zinc/70/01/82/1066700182.db2.gz IIZNZSQGQPNVEJ-QFIPXVFZSA-N 1 2 464.658 4.924 20 0 JJADLO Cc1cn2c([nH+]1)[C@@H](Cn1c(-c3ccc(Cl)cc3Cl)nnc1N(C)CCCCCO)CCC2 ZINC001492628671 1066700210 /nfs/dbraw/zinc/70/02/10/1066700210.db2.gz KBZSLXRPBMTPEW-QGZVFWFLSA-N 1 2 477.440 4.933 20 0 JJADLO CCN(CC(=O)Nc1ccc(C)[nH+]c1N(C)C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001446633978 1066726992 /nfs/dbraw/zinc/72/69/92/1066726992.db2.gz WNBGANDXZCXNKA-UHFFFAOYSA-N 1 2 458.562 4.666 20 0 JJADLO Cc1csc(CN(C)c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@H](C)[NH+]2CCOCC2)c1 ZINC001492644899 1066744367 /nfs/dbraw/zinc/74/43/67/1066744367.db2.gz DTZJKSGRARGNAC-RBUKOAKNSA-N 1 2 490.073 4.799 20 0 JJADLO CC[NH+](CC)Cc1nc(C2(NC(=O)c3ccc(-c4ccccc4OC)s3)CCCC2)no1 ZINC001457474598 1066839564 /nfs/dbraw/zinc/83/95/64/1066839564.db2.gz FJURWONBTYQDQN-UHFFFAOYSA-N 1 2 454.596 4.848 20 0 JJADLO O=C(NC1CCCCC1)c1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)cc1O ZINC001447787967 1066857142 /nfs/dbraw/zinc/85/71/42/1066857142.db2.gz YENBYXVHSAMKFB-HSZRJFAPSA-N 1 2 453.558 4.587 20 0 JJADLO O=C(NC1CCCCC1)c1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)cc1O ZINC001447787967 1066857152 /nfs/dbraw/zinc/85/71/52/1066857152.db2.gz YENBYXVHSAMKFB-HSZRJFAPSA-N 1 2 453.558 4.587 20 0 JJADLO Cc1nc(N2CCN(c3nnc(-c4cccc(OC(F)F)c4)n3CC(C)(C)C(C)C)CC2)cc[nH+]1 ZINC001492703291 1066861829 /nfs/dbraw/zinc/86/18/29/1066861829.db2.gz KCSZQLFPINOZEK-UHFFFAOYSA-N 1 2 485.583 4.654 20 0 JJADLO Cc1ccc(OCc2nnc(N3CCN(c4cc[nH+]c(C)n4)CC3)n2CCCC(C)(C)C)cc1C ZINC001492704108 1066862579 /nfs/dbraw/zinc/86/25/79/1066862579.db2.gz QEESWSMPGWXYMU-UHFFFAOYSA-N 1 2 477.657 4.725 20 0 JJADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)[C@H](C)C1 ZINC001448233368 1066912700 /nfs/dbraw/zinc/91/27/00/1066912700.db2.gz BIXASKHHIXAIAS-IIBYNOLFSA-N 1 2 451.394 4.549 20 0 JJADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)[C@H](C)C1 ZINC001448233368 1066912710 /nfs/dbraw/zinc/91/27/10/1066912710.db2.gz BIXASKHHIXAIAS-IIBYNOLFSA-N 1 2 451.394 4.549 20 0 JJADLO Cc1nnc(N2CC[NH+]([C@H](C)c3ccc(F)cc3F)CC2)n1CCc1ccc(Br)s1 ZINC001492898477 1066960046 /nfs/dbraw/zinc/96/00/46/1066960046.db2.gz LNQXUVGUWQRZOF-CQSZACIVSA-N 1 2 496.425 4.815 20 0 JJADLO CC[C@@H](c1nnc(N(C)CC(C)C)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1)c1ccccc1 ZINC001545722034 1066976961 /nfs/dbraw/zinc/97/69/61/1066976961.db2.gz MEEFUHJQGMPINW-ZJSXRUAMSA-N 1 2 462.642 4.581 20 0 JJADLO CCC(=O)Nc1cccc(CNc2[nH+]cnc3c2cnn3-c2cccc(Br)c2)c1 ZINC001458114447 1066979957 /nfs/dbraw/zinc/97/99/57/1066979957.db2.gz UTMGOVGKKGQKGS-UHFFFAOYSA-N 1 2 451.328 4.539 20 0 JJADLO Brc1cccc(-n2ncc3c2nc[nH+]c3NCCCOCCc2ccccc2)c1 ZINC001458113957 1066980010 /nfs/dbraw/zinc/98/00/10/1066980010.db2.gz ADXULOPDKOEWAK-UHFFFAOYSA-N 1 2 452.356 4.639 20 0 JJADLO CCc1nc2ccc(C(=O)N3CC[N@@H+](Cc4ccc(C)nc4)C[C@H]3[C@H](C)CC)cc2nc1CC ZINC001458152125 1066989066 /nfs/dbraw/zinc/98/90/66/1066989066.db2.gz GHFOLHJEFWXAGQ-WINIVTDRSA-N 1 2 459.638 4.831 20 0 JJADLO CCc1nc2ccc(C(=O)N3CC[N@H+](Cc4ccc(C)nc4)C[C@H]3[C@H](C)CC)cc2nc1CC ZINC001458152125 1066989072 /nfs/dbraw/zinc/98/90/72/1066989072.db2.gz GHFOLHJEFWXAGQ-WINIVTDRSA-N 1 2 459.638 4.831 20 0 JJADLO CC[C@@H](c1nnc(N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)n1CCCNc1cccc[nH+]1)c1ccccc1 ZINC001545731102 1066989825 /nfs/dbraw/zinc/98/98/25/1066989825.db2.gz JURXDCTVCSFWNS-HMXCVIKNSA-N 1 2 488.558 4.873 20 0 JJADLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)COc1ccc(Cl)c(Cl)c1 ZINC001458155863 1066991113 /nfs/dbraw/zinc/99/11/13/1066991113.db2.gz SNRPEUAUWXIQAA-ZHRRBRCNSA-N 1 2 450.410 4.835 20 0 JJADLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)COc1ccc(Cl)c(Cl)c1 ZINC001458155863 1066991123 /nfs/dbraw/zinc/99/11/23/1066991123.db2.gz SNRPEUAUWXIQAA-ZHRRBRCNSA-N 1 2 450.410 4.835 20 0 JJADLO CC(C)(C)OC(=O)NCC[N@H+](CC(=O)N1CC[C@@H]1c1ccc(Cl)cc1)Cc1ccccc1 ZINC001449261731 1066993481 /nfs/dbraw/zinc/99/34/81/1066993481.db2.gz FQMPEXRNLBWZGT-JOCHJYFZSA-N 1 2 458.002 4.640 20 0 JJADLO CC(C)(C)OC(=O)NCC[N@@H+](CC(=O)N1CC[C@@H]1c1ccc(Cl)cc1)Cc1ccccc1 ZINC001449261731 1066993492 /nfs/dbraw/zinc/99/34/92/1066993492.db2.gz FQMPEXRNLBWZGT-JOCHJYFZSA-N 1 2 458.002 4.640 20 0 JJADLO C[C@@H]1CCCC[C@@H]1OCC(=O)N1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC001458173408 1066996216 /nfs/dbraw/zinc/99/62/16/1066996216.db2.gz OZZYGBANLRBXRX-BVAGGSTKSA-N 1 2 450.623 4.532 20 0 JJADLO CC[C@H](c1nnc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1CC(F)(F)F)c1ccccc1 ZINC001545756119 1067032814 /nfs/dbraw/zinc/03/28/14/1067032814.db2.gz AZYQENAOMSUFLM-FQEVSTJZSA-N 1 2 487.574 4.931 20 0 JJADLO CC[C@H](c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CC[C@@H](OC)C(F)(F)F)c1ccccc1 ZINC001545756519 1067034171 /nfs/dbraw/zinc/03/41/71/1067034171.db2.gz JKLJRHQFXUGUKR-LEWJYISDSA-N 1 2 488.558 4.509 20 0 JJADLO Cc1ccc(C)c(-n2ccnc2SCC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)c1 ZINC001450159135 1067056051 /nfs/dbraw/zinc/05/60/51/1067056051.db2.gz ZXTFDHIOOGPEGU-UHFFFAOYSA-N 1 2 451.983 4.737 20 0 JJADLO CCC(CC)[C@H](C(=O)Nc1nc2ccc(Cl)cc2n1Cc1ccccc1)[NH+]1CCOCC1 ZINC001450259722 1067065670 /nfs/dbraw/zinc/06/56/70/1067065670.db2.gz QXYYLTIGQLTWTH-HSZRJFAPSA-N 1 2 455.002 4.814 20 0 JJADLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)c2ccc(Br)cc2Cl)c2ccc(Cl)cc2)C1 ZINC001458451355 1067065760 /nfs/dbraw/zinc/06/57/60/1067065760.db2.gz HFEFGVSNKZCZMH-QZTJIDSGSA-N 1 2 458.183 4.558 20 0 JJADLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)c2ccc(Br)cc2Cl)c2ccc(Cl)cc2)C1 ZINC001458451355 1067065777 /nfs/dbraw/zinc/06/57/77/1067065777.db2.gz HFEFGVSNKZCZMH-QZTJIDSGSA-N 1 2 458.183 4.558 20 0 JJADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)c2ccc(Br)cc2Cl)c2ccc(Cl)cc2)C1 ZINC001458451372 1067066057 /nfs/dbraw/zinc/06/60/57/1067066057.db2.gz HFEFGVSNKZCZMH-ZWKOTPCHSA-N 1 2 458.183 4.558 20 0 JJADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)c2ccc(Br)cc2Cl)c2ccc(Cl)cc2)C1 ZINC001458451372 1067066068 /nfs/dbraw/zinc/06/60/68/1067066068.db2.gz HFEFGVSNKZCZMH-ZWKOTPCHSA-N 1 2 458.183 4.558 20 0 JJADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)CSc2cc(Cl)ccc2Cl)c2ccc(Cl)cc2)C1 ZINC001458453809 1067066994 /nfs/dbraw/zinc/06/69/94/1067066994.db2.gz MRAPMTYJIVAVRX-FXAWDEMLSA-N 1 2 459.826 4.927 20 0 JJADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)CSc2cc(Cl)ccc2Cl)c2ccc(Cl)cc2)C1 ZINC001458453809 1067067008 /nfs/dbraw/zinc/06/70/08/1067067008.db2.gz MRAPMTYJIVAVRX-FXAWDEMLSA-N 1 2 459.826 4.927 20 0 JJADLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)CSc2cc(Cl)ccc2Cl)c2ccc(Cl)cc2)C1 ZINC001458453842 1067067363 /nfs/dbraw/zinc/06/73/63/1067067363.db2.gz MRAPMTYJIVAVRX-YLJYHZDGSA-N 1 2 459.826 4.927 20 0 JJADLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)CSc2cc(Cl)ccc2Cl)c2ccc(Cl)cc2)C1 ZINC001458453842 1067067369 /nfs/dbraw/zinc/06/73/69/1067067369.db2.gz MRAPMTYJIVAVRX-YLJYHZDGSA-N 1 2 459.826 4.927 20 0 JJADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)CCOc2ccc(Cl)c(Cl)c2)c2ccc(Cl)cc2)C1 ZINC001458454989 1067067392 /nfs/dbraw/zinc/06/73/92/1067067392.db2.gz PAFWYWKWITZGKP-PZJWPPBQSA-N 1 2 457.785 4.604 20 0 JJADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)CCOc2ccc(Cl)c(Cl)c2)c2ccc(Cl)cc2)C1 ZINC001458454989 1067067405 /nfs/dbraw/zinc/06/74/05/1067067405.db2.gz PAFWYWKWITZGKP-PZJWPPBQSA-N 1 2 457.785 4.604 20 0 JJADLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)c2ccc(Br)c(Cl)c2)c2ccc(Cl)cc2)C1 ZINC001458457561 1067067821 /nfs/dbraw/zinc/06/78/21/1067067821.db2.gz WLWOTACSMLGOEF-QZTJIDSGSA-N 1 2 458.183 4.558 20 0 JJADLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)c2ccc(Br)c(Cl)c2)c2ccc(Cl)cc2)C1 ZINC001458457561 1067067836 /nfs/dbraw/zinc/06/78/36/1067067836.db2.gz WLWOTACSMLGOEF-QZTJIDSGSA-N 1 2 458.183 4.558 20 0 JJADLO CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCCN2C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC001450415003 1067078690 /nfs/dbraw/zinc/07/86/90/1067078690.db2.gz QYIUQHPPIXVKDJ-BHDDXSALSA-N 1 2 452.599 4.570 20 0 JJADLO CCC(CC)(Cn1c(Cc2ccccc2C)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1)SC ZINC001545788137 1067083722 /nfs/dbraw/zinc/08/37/22/1067083722.db2.gz KILDRRCYZIFVBB-UHFFFAOYSA-N 1 2 479.698 4.524 20 0 JJADLO CCC(CC)[C@H](CCn1c(-c2ccccc2C)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1)OC ZINC001545798375 1067099517 /nfs/dbraw/zinc/09/95/17/1067099517.db2.gz JYZFDHIKNABOLV-DEOSSOPVSA-N 1 2 477.657 4.520 20 0 JJADLO COc1ccc(-c2nnc(SCc3cccc(C[NH+]4CCOCC4)c3)n2CC(C)C)cc1 ZINC001458771571 1067137906 /nfs/dbraw/zinc/13/79/06/1067137906.db2.gz QMHBHTVNNMCWCN-UHFFFAOYSA-N 1 2 452.624 4.734 20 0 JJADLO CCC1(CC)CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001546103812 1067148010 /nfs/dbraw/zinc/14/80/10/1067148010.db2.gz XQAQHWFLYZUUBG-VQTJNVASSA-N 1 2 476.065 4.809 20 0 JJADLO CCC1(CC)CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001546103812 1067148017 /nfs/dbraw/zinc/14/80/17/1067148017.db2.gz XQAQHWFLYZUUBG-VQTJNVASSA-N 1 2 476.065 4.809 20 0 JJADLO CCc1onc(-c2ccccc2)c1C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC001458814362 1067153288 /nfs/dbraw/zinc/15/32/88/1067153288.db2.gz ONTVJEXNQXEHCM-UHFFFAOYSA-N 1 2 453.340 4.595 20 0 JJADLO Cc1cc(Br)cn2cc(CCNC(=O)CO[C@@H]3C[C@H](C)CC[C@H]3C(C)C)[nH+]c12 ZINC001458817050 1067153668 /nfs/dbraw/zinc/15/36/68/1067153668.db2.gz UIIYNFNAKMTCPA-UIAACRFSSA-N 1 2 450.421 4.541 20 0 JJADLO Cc1cc(Br)cn2cc(CCNC(=O)CCSc3ccc(Cl)cc3)[nH+]c12 ZINC001458819341 1067154920 /nfs/dbraw/zinc/15/49/20/1067154920.db2.gz ZSNWMIXMRZPYLN-UHFFFAOYSA-N 1 2 452.805 4.900 20 0 JJADLO CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2cc(F)ccc2F)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001545826671 1067175769 /nfs/dbraw/zinc/17/57/69/1067175769.db2.gz ROCRNHDGAUIIIU-ROUUACIJSA-N 1 2 499.610 4.755 20 0 JJADLO CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccccc2C)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001545826828 1067176327 /nfs/dbraw/zinc/17/63/27/1067176327.db2.gz UOGOFTLGAGEJKV-LEWJYISDSA-N 1 2 477.657 4.785 20 0 JJADLO CCC(CC)NC(=O)c1nnc(N(Cc2cccs2)C(C)C)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001545845617 1067197886 /nfs/dbraw/zinc/19/78/86/1067197886.db2.gz MJGICJYPDZABMA-IBGZPJMESA-N 1 2 483.686 4.756 20 0 JJADLO CC[NH+](CC)Cc1csc(NC(=O)c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)CC3)n1 ZINC001452543685 1067233144 /nfs/dbraw/zinc/23/31/44/1067233144.db2.gz OUAKSECSTCDJOI-UHFFFAOYSA-N 1 2 458.628 4.573 20 0 JJADLO CSc1ccc(Cl)c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)c1 ZINC001459048192 1067238773 /nfs/dbraw/zinc/23/87/73/1067238773.db2.gz YOILIJNSMJRBEJ-UHFFFAOYSA-N 1 2 454.821 4.829 20 0 JJADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)c3csc(-c4ccc(Cl)cc4)c3)c2)CC1 ZINC001459067119 1067242749 /nfs/dbraw/zinc/24/27/49/1067242749.db2.gz FFLAHWLZTSWYEM-UHFFFAOYSA-N 1 2 453.995 4.985 20 0 JJADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cc(Br)ccc2Cl)[C@H](C)C1 ZINC001459413399 1067317498 /nfs/dbraw/zinc/31/74/98/1067317498.db2.gz FTCRSLRMDNXBGV-OAHLLOKOSA-N 1 2 451.792 4.848 20 0 JJADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cc(Br)ccc2Cl)[C@H](C)C1 ZINC001459413399 1067317512 /nfs/dbraw/zinc/31/75/12/1067317512.db2.gz FTCRSLRMDNXBGV-OAHLLOKOSA-N 1 2 451.792 4.848 20 0 JJADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cccc(COc3ccc(C)nc3)c2)[C@@H](C)C1 ZINC001459418322 1067319509 /nfs/dbraw/zinc/31/95/09/1067319509.db2.gz YPYYTYIMLJVHBU-QFIPXVFZSA-N 1 2 459.590 4.714 20 0 JJADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cccc(COc3ccc(C)nc3)c2)[C@@H](C)C1 ZINC001459418322 1067319524 /nfs/dbraw/zinc/31/95/24/1067319524.db2.gz YPYYTYIMLJVHBU-QFIPXVFZSA-N 1 2 459.590 4.714 20 0 JJADLO O[C@H]([C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccc3cc(Br)ccc3c2)o1)C(F)(F)F ZINC001459455874 1067328142 /nfs/dbraw/zinc/32/81/42/1067328142.db2.gz MRFVYZSYRBKYPO-DOTOQJQBSA-N 1 2 456.262 4.540 20 0 JJADLO O[C@H]([C@@H]1CCC[N@H+]1Cc1nnc(-c2ccc3cc(Br)ccc3c2)o1)C(F)(F)F ZINC001459455874 1067328153 /nfs/dbraw/zinc/32/81/53/1067328153.db2.gz MRFVYZSYRBKYPO-DOTOQJQBSA-N 1 2 456.262 4.540 20 0 JJADLO COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@@H+]3CCN(Cc4ccccc4)C(C)(C)C3)ccc2c1 ZINC001459460801 1067329394 /nfs/dbraw/zinc/32/93/94/1067329394.db2.gz XVZYZQYWHFTDEG-JOCHJYFZSA-N 1 2 459.634 4.792 20 0 JJADLO COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@H+]3CCN(Cc4ccccc4)C(C)(C)C3)ccc2c1 ZINC001459460801 1067329407 /nfs/dbraw/zinc/32/94/07/1067329407.db2.gz XVZYZQYWHFTDEG-JOCHJYFZSA-N 1 2 459.634 4.792 20 0 JJADLO Cc1ccc(NC(=O)Cc2nc(C[NH+]3CCC([C@@H](O)c4ccc(F)cc4)CC3)cs2)cc1 ZINC001459468565 1067332267 /nfs/dbraw/zinc/33/22/67/1067332267.db2.gz RHIHASUSQFULSS-VWLOTQADSA-N 1 2 453.583 4.717 20 0 JJADLO CCOC(=O)c1c(C[N@H+](C)CC[C@H](NC(=O)OC(C)(C)C)C(C)C)occ1C(F)(F)F ZINC001459562103 1067351940 /nfs/dbraw/zinc/35/19/40/1067351940.db2.gz BZRBEIPKBYZLHW-HNNXBMFYSA-N 1 2 450.498 4.846 20 0 JJADLO CCOC(=O)c1c(C[N@@H+](C)CC[C@H](NC(=O)OC(C)(C)C)C(C)C)occ1C(F)(F)F ZINC001459562103 1067351952 /nfs/dbraw/zinc/35/19/52/1067351952.db2.gz BZRBEIPKBYZLHW-HNNXBMFYSA-N 1 2 450.498 4.846 20 0 JJADLO COC(=O)[C@H](c1ccccc1)[N@H+](C)C[C@H](O)c1ccc(-c2ccc(Br)cc2)cc1 ZINC001459710213 1067391424 /nfs/dbraw/zinc/39/14/24/1067391424.db2.gz OJNNQGHLGRVPBG-GOTSBHOMSA-N 1 2 454.364 4.996 20 0 JJADLO COC(=O)[C@H](c1ccccc1)[N@@H+](C)C[C@H](O)c1ccc(-c2ccc(Br)cc2)cc1 ZINC001459710213 1067391435 /nfs/dbraw/zinc/39/14/35/1067391435.db2.gz OJNNQGHLGRVPBG-GOTSBHOMSA-N 1 2 454.364 4.996 20 0 JJADLO Cn1cc(Br)cc1C[N@H+](C)CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC001459798875 1067427583 /nfs/dbraw/zinc/42/75/83/1067427583.db2.gz DIVVDYQKMHHBRJ-GOSISDBHSA-N 1 2 459.215 4.890 20 0 JJADLO Cn1cc(Br)cc1C[N@@H+](C)CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC001459798875 1067427587 /nfs/dbraw/zinc/42/75/87/1067427587.db2.gz DIVVDYQKMHHBRJ-GOSISDBHSA-N 1 2 459.215 4.890 20 0 JJADLO CCOC(=O)C1C(C[NH2+][C@@H](c2ccccc2C)C2CC2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001459833190 1067444899 /nfs/dbraw/zinc/44/48/99/1067444899.db2.gz JFGCIULODKPBAY-DHIUTWEWSA-N 1 2 453.970 4.560 20 0 JJADLO CCn1c2nnc(C[NH2+][C@@H](CC(C)C)c3cc(Cl)ccc3OC)n2c2ccccc2c1=O ZINC001459843035 1067450196 /nfs/dbraw/zinc/45/01/96/1067450196.db2.gz JTMCERNUEBLELC-IBGZPJMESA-N 1 2 453.974 4.603 20 0 JJADLO O=C(C[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1)Nc1ccc(N2CCCCCC2)cc1 ZINC001459894936 1067477167 /nfs/dbraw/zinc/47/71/67/1067477167.db2.gz GJALAWALUJVDON-UHFFFAOYSA-N 1 2 450.410 4.807 20 0 JJADLO O=C(C[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1)Nc1ccc(N2CCCCCC2)cc1 ZINC001459894936 1067477170 /nfs/dbraw/zinc/47/71/70/1067477170.db2.gz GJALAWALUJVDON-UHFFFAOYSA-N 1 2 450.410 4.807 20 0 JJADLO C[C@@](O)(C1CC[NH+](CC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)CC1)C(F)(F)F ZINC001459916536 1067489445 /nfs/dbraw/zinc/48/94/45/1067489445.db2.gz WIQRVMXONBYYSQ-FGZHOGPDSA-N 1 2 454.920 4.571 20 0 JJADLO CC[C@@H]([NH2+]CC(=O)Nc1c(F)cc(F)cc1Br)c1nc(C(F)(F)F)cs1 ZINC001459921222 1067491788 /nfs/dbraw/zinc/49/17/88/1067491788.db2.gz HNZFKZKGXNJLLR-SNVBAGLBSA-N 1 2 458.250 4.882 20 0 JJADLO COC(=O)CC[N@H+](Cc1coc(-c2cccc(OC)c2)n1)Cc1cccc(Br)c1 ZINC001459939553 1067500085 /nfs/dbraw/zinc/50/00/85/1067500085.db2.gz JMOOGGIJXHOECW-UHFFFAOYSA-N 1 2 459.340 4.678 20 0 JJADLO COC(=O)CC[N@@H+](Cc1coc(-c2cccc(OC)c2)n1)Cc1cccc(Br)c1 ZINC001459939553 1067500090 /nfs/dbraw/zinc/50/00/90/1067500090.db2.gz JMOOGGIJXHOECW-UHFFFAOYSA-N 1 2 459.340 4.678 20 0 JJADLO CCCCCCc1ccc(-c2csc(NC(=O)[C@@H](C)[N@@H+]3CC[C@@H](n4cncn4)C3)n2)cc1 ZINC001459991185 1067518142 /nfs/dbraw/zinc/51/81/42/1067518142.db2.gz MPWHVEIFTNIBAW-WIYYLYMNSA-N 1 2 452.628 4.798 20 0 JJADLO CCCCCCc1ccc(-c2csc(NC(=O)[C@@H](C)[N@H+]3CC[C@@H](n4cncn4)C3)n2)cc1 ZINC001459991185 1067518149 /nfs/dbraw/zinc/51/81/49/1067518149.db2.gz MPWHVEIFTNIBAW-WIYYLYMNSA-N 1 2 452.628 4.798 20 0 JJADLO C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[NH+]1CCC(Oc2cncc(Cl)n2)CC1 ZINC001459999879 1067521540 /nfs/dbraw/zinc/52/15/40/1067521540.db2.gz UWNIRFMXFJSKCJ-KRWDZBQOSA-N 1 2 452.942 4.793 20 0 JJADLO O=C(Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1csc(I)c1 ZINC001460013163 1067527356 /nfs/dbraw/zinc/52/73/56/1067527356.db2.gz FOFIUZRRWGPAPX-UHFFFAOYSA-N 1 2 450.301 4.772 20 0 JJADLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)N[C@@H](C)Cc2c(F)cccc2F)ccc1Br ZINC001460021858 1067531490 /nfs/dbraw/zinc/53/14/90/1067531490.db2.gz GLFSFZOHHLVXCZ-BTYIYWSLSA-N 1 2 451.355 4.920 20 0 JJADLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)N[C@@H](C)Cc2c(F)cccc2F)ccc1Br ZINC001460021858 1067531497 /nfs/dbraw/zinc/53/14/97/1067531497.db2.gz GLFSFZOHHLVXCZ-BTYIYWSLSA-N 1 2 451.355 4.920 20 0 JJADLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)N[C@@H](C)Cc2c(F)cccc2F)ccc1Br ZINC001460021868 1067531564 /nfs/dbraw/zinc/53/15/64/1067531564.db2.gz GLFSFZOHHLVXCZ-YCRPNKLZSA-N 1 2 451.355 4.920 20 0 JJADLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)N[C@@H](C)Cc2c(F)cccc2F)ccc1Br ZINC001460021868 1067531571 /nfs/dbraw/zinc/53/15/71/1067531571.db2.gz GLFSFZOHHLVXCZ-YCRPNKLZSA-N 1 2 451.355 4.920 20 0 JJADLO O=C(C[N@H+](Cc1ccccc1Cl)CC1CC1)Nc1ccccc1I ZINC001460098413 1067554352 /nfs/dbraw/zinc/55/43/52/1067554352.db2.gz IPOALBHYTXCOPZ-UHFFFAOYSA-N 1 2 454.739 4.795 20 0 JJADLO O=C(C[N@@H+](Cc1ccccc1Cl)CC1CC1)Nc1ccccc1I ZINC001460098413 1067554360 /nfs/dbraw/zinc/55/43/60/1067554360.db2.gz IPOALBHYTXCOPZ-UHFFFAOYSA-N 1 2 454.739 4.795 20 0 JJADLO CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2nc(Cc3cccc(F)c3)no2)CC1 ZINC001460105929 1067556215 /nfs/dbraw/zinc/55/62/15/1067556215.db2.gz NFQFHBYEUUHSIU-JOCHJYFZSA-N 1 2 458.578 4.657 20 0 JJADLO C[C@@H](c1nc2cc(Cl)ccc2[nH]1)[N@H+](C)CCNC(=O)NC(C)(C)COCc1ccccc1 ZINC001460122644 1067559662 /nfs/dbraw/zinc/55/96/62/1067559662.db2.gz IIUWKMCVHIZRMB-KRWDZBQOSA-N 1 2 458.006 4.504 20 0 JJADLO C[C@@H](c1nc2cc(Cl)ccc2[nH]1)[N@@H+](C)CCNC(=O)NC(C)(C)COCc1ccccc1 ZINC001460122644 1067559669 /nfs/dbraw/zinc/55/96/69/1067559669.db2.gz IIUWKMCVHIZRMB-KRWDZBQOSA-N 1 2 458.006 4.504 20 0 JJADLO CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)C[N@@H+]1CCSC[C@H]1C1CC1 ZINC001460128060 1067560445 /nfs/dbraw/zinc/56/04/45/1067560445.db2.gz GTWVIQXJTZXQGB-FQEVSTJZSA-N 1 2 458.649 4.975 20 0 JJADLO CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)C[N@H+]1CCSC[C@H]1C1CC1 ZINC001460128060 1067560450 /nfs/dbraw/zinc/56/04/50/1067560450.db2.gz GTWVIQXJTZXQGB-FQEVSTJZSA-N 1 2 458.649 4.975 20 0 JJADLO COc1ccc([C@H](NC(=O)C[NH+]2CCC(c3nc(C(F)(F)F)cs3)CC2)C2CC2)cc1 ZINC001460137877 1067562921 /nfs/dbraw/zinc/56/29/21/1067562921.db2.gz AXNKBBDKOMBMAU-HXUWFJFHSA-N 1 2 453.530 4.617 20 0 JJADLO CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C[NH+]1CCC(C)(OC)CC1 ZINC001460148065 1067565032 /nfs/dbraw/zinc/56/50/32/1067565032.db2.gz MCBGRUBXOSLZAC-UHFFFAOYSA-N 1 2 450.988 4.685 20 0 JJADLO CCOCc1ccccc1CNC(=O)C[N@@H+]1CCCC[C@H]1Cc1ccccc1Br ZINC001460161278 1067567705 /nfs/dbraw/zinc/56/77/05/1067567705.db2.gz KYSKDPDNBJTYRG-QFIPXVFZSA-N 1 2 459.428 4.699 20 0 JJADLO CCOCc1ccccc1CNC(=O)C[N@H+]1CCCC[C@H]1Cc1ccccc1Br ZINC001460161278 1067567711 /nfs/dbraw/zinc/56/77/11/1067567711.db2.gz KYSKDPDNBJTYRG-QFIPXVFZSA-N 1 2 459.428 4.699 20 0 JJADLO CC[C@H](CO)[N@H+](C)CC(=O)Nc1sc2c(c1C(=O)c1ccc(C(C)(C)C)cc1)CCCC2 ZINC001460176907 1067571590 /nfs/dbraw/zinc/57/15/90/1067571590.db2.gz HDSZAEOBEZWJEY-LJQANCHMSA-N 1 2 456.652 4.797 20 0 JJADLO CC[C@H](CO)[N@@H+](C)CC(=O)Nc1sc2c(c1C(=O)c1ccc(C(C)(C)C)cc1)CCCC2 ZINC001460176907 1067571596 /nfs/dbraw/zinc/57/15/96/1067571596.db2.gz HDSZAEOBEZWJEY-LJQANCHMSA-N 1 2 456.652 4.797 20 0 JJADLO OC[C@@]1(Cc2ccc(F)cc2)CC[N@H+](Cc2ccc(I)c(Cl)c2)C1 ZINC001460189397 1067575006 /nfs/dbraw/zinc/57/50/06/1067575006.db2.gz YGCCKOIICUUMHJ-LJQANCHMSA-N 1 2 459.730 4.511 20 0 JJADLO OC[C@@]1(Cc2ccc(F)cc2)CC[N@@H+](Cc2ccc(I)c(Cl)c2)C1 ZINC001460189397 1067575012 /nfs/dbraw/zinc/57/50/12/1067575012.db2.gz YGCCKOIICUUMHJ-LJQANCHMSA-N 1 2 459.730 4.511 20 0 JJADLO CCOc1ccc([C@H]2CCCN2C(=O)C[N@@H+]2CCN(c3ccc(Cl)c(F)c3)C[C@H]2C)cc1 ZINC001460192046 1067575706 /nfs/dbraw/zinc/57/57/06/1067575706.db2.gz CJKWBESGQYBNAN-HOYKHHGWSA-N 1 2 459.993 4.752 20 0 JJADLO CCOc1ccc([C@H]2CCCN2C(=O)C[N@H+]2CCN(c3ccc(Cl)c(F)c3)C[C@H]2C)cc1 ZINC001460192046 1067575711 /nfs/dbraw/zinc/57/57/11/1067575711.db2.gz CJKWBESGQYBNAN-HOYKHHGWSA-N 1 2 459.993 4.752 20 0 JJADLO COc1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3COC(=O)NC3CCCC3)cs2)c(OC)c1 ZINC001460193653 1067576097 /nfs/dbraw/zinc/57/60/97/1067576097.db2.gz FEERKOJVJBIKAN-LJQANCHMSA-N 1 2 459.612 4.851 20 0 JJADLO COc1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3COC(=O)NC3CCCC3)cs2)c(OC)c1 ZINC001460193653 1067576105 /nfs/dbraw/zinc/57/61/05/1067576105.db2.gz FEERKOJVJBIKAN-LJQANCHMSA-N 1 2 459.612 4.851 20 0 JJADLO CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC001460198088 1067576819 /nfs/dbraw/zinc/57/68/19/1067576819.db2.gz OYCSRJKEZWKIDW-CQSZACIVSA-N 1 2 459.543 4.720 20 0 JJADLO COc1cc(Cl)c(C)cc1NC(=O)CN[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001460215218 1067581486 /nfs/dbraw/zinc/58/14/86/1067581486.db2.gz QHAWGTLGFVDZOA-WIOPSUGQSA-N 1 2 481.999 4.992 20 0 JJADLO COc1cc(Cl)c(C)cc1NC(=O)CN[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001460215218 1067581491 /nfs/dbraw/zinc/58/14/91/1067581491.db2.gz QHAWGTLGFVDZOA-WIOPSUGQSA-N 1 2 481.999 4.992 20 0 JJADLO COc1cc2c(cc1NC(=O)C[N@@H+]1C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C1)oc1ccccc12 ZINC001460251728 1067591601 /nfs/dbraw/zinc/59/16/01/1067591601.db2.gz AOYDXFPQDYMQPT-SJORKVTESA-N 1 2 452.551 4.833 20 0 JJADLO COc1cc2c(cc1NC(=O)C[N@H+]1C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C1)oc1ccccc12 ZINC001460251728 1067591607 /nfs/dbraw/zinc/59/16/07/1067591607.db2.gz AOYDXFPQDYMQPT-SJORKVTESA-N 1 2 452.551 4.833 20 0 JJADLO O=C(C[C@H]1CCC[N@H+](Cc2ccc(Br)c(F)c2F)C1)NCc1ccc(F)cc1 ZINC001460300551 1067601946 /nfs/dbraw/zinc/60/19/46/1067601946.db2.gz FZUIQJYZUNWMMX-OAHLLOKOSA-N 1 2 455.318 4.785 20 0 JJADLO O=C(C[C@H]1CCC[N@@H+](Cc2ccc(Br)c(F)c2F)C1)NCc1ccc(F)cc1 ZINC001460300551 1067601951 /nfs/dbraw/zinc/60/19/51/1067601951.db2.gz FZUIQJYZUNWMMX-OAHLLOKOSA-N 1 2 455.318 4.785 20 0 JJADLO Cc1cccc2c1N(C(=O)C[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1)CC[C@@H]2C ZINC001460354923 1067615388 /nfs/dbraw/zinc/61/53/88/1067615388.db2.gz YHRYGHDEJFMLKO-FQEVSTJZSA-N 1 2 451.611 4.862 20 0 JJADLO Cc1cccc2c1N(C(=O)C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1)CC[C@@H]2C ZINC001460354923 1067615394 /nfs/dbraw/zinc/61/53/94/1067615394.db2.gz YHRYGHDEJFMLKO-FQEVSTJZSA-N 1 2 451.611 4.862 20 0 JJADLO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](Cc2nnc(-c3ccccc3)s2)CC[C@H]1C(F)(F)F ZINC001460449888 1067636612 /nfs/dbraw/zinc/63/66/12/1067636612.db2.gz JCFMPSGYZHMYEJ-JKSUJKDBSA-N 1 2 456.534 4.730 20 0 JJADLO CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](Cc2nnc(-c3ccccc3)s2)CC[C@H]1C(F)(F)F ZINC001460449888 1067636614 /nfs/dbraw/zinc/63/66/14/1067636614.db2.gz JCFMPSGYZHMYEJ-JKSUJKDBSA-N 1 2 456.534 4.730 20 0 JJADLO COc1ccc(C[N@@H+]2CC[C@@H](C)C[C@H]2CNC(=O)OC(C)(C)C)c(Br)c1OC ZINC001460448386 1067636704 /nfs/dbraw/zinc/63/67/04/1067636704.db2.gz AURFFRSURQPFSF-ZBFHGGJFSA-N 1 2 457.409 4.592 20 0 JJADLO COc1ccc(C[N@H+]2CC[C@@H](C)C[C@H]2CNC(=O)OC(C)(C)C)c(Br)c1OC ZINC001460448386 1067636710 /nfs/dbraw/zinc/63/67/10/1067636710.db2.gz AURFFRSURQPFSF-ZBFHGGJFSA-N 1 2 457.409 4.592 20 0 JJADLO CCc1cccc(C)c1NC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001460450031 1067637071 /nfs/dbraw/zinc/63/70/71/1067637071.db2.gz JWMTVDDQJFSAAH-QZTJIDSGSA-N 1 2 457.537 4.521 20 0 JJADLO CCc1cccc(C)c1NC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001460450031 1067637072 /nfs/dbraw/zinc/63/70/72/1067637072.db2.gz JWMTVDDQJFSAAH-QZTJIDSGSA-N 1 2 457.537 4.521 20 0 JJADLO O=C(CC[NH+]1CC(O)(c2ccc(Br)cc2)C1)Nc1ccccc1-c1ccccc1 ZINC001460516212 1067647564 /nfs/dbraw/zinc/64/75/64/1067647564.db2.gz LZDNGHVQWUILLC-UHFFFAOYSA-N 1 2 451.364 4.648 20 0 JJADLO CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)C[N@@H+]2CC[C@@H](C(=O)OC)[C@@H](C)C2)cc1 ZINC001460526522 1067650775 /nfs/dbraw/zinc/65/07/75/1067650775.db2.gz AXJQEUHUFINRQI-OXJNMPFZSA-N 1 2 460.958 4.601 20 0 JJADLO CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)C[N@H+]2CC[C@@H](C(=O)OC)[C@@H](C)C2)cc1 ZINC001460526522 1067650779 /nfs/dbraw/zinc/65/07/79/1067650779.db2.gz AXJQEUHUFINRQI-OXJNMPFZSA-N 1 2 460.958 4.601 20 0 JJADLO CC(C)(C)OC(=O)N1CCO[C@H](C[N@@H+]2CCC[C@@H]2c2ccc(Br)cc2Cl)C1 ZINC001460604277 1067668690 /nfs/dbraw/zinc/66/86/90/1067668690.db2.gz LHUDFJNVSUNTAM-CRAIPNDOSA-N 1 2 459.812 4.875 20 0 JJADLO CC(C)(C)OC(=O)N1CCO[C@H](C[N@H+]2CCC[C@@H]2c2ccc(Br)cc2Cl)C1 ZINC001460604277 1067668693 /nfs/dbraw/zinc/66/86/93/1067668693.db2.gz LHUDFJNVSUNTAM-CRAIPNDOSA-N 1 2 459.812 4.875 20 0 JJADLO CC(C)(C)OC(=O)N1CCO[C@H](C[N@@H+]2CCC[C@H]2c2ccc(Br)cc2Cl)C1 ZINC001460604281 1067668736 /nfs/dbraw/zinc/66/87/36/1067668736.db2.gz LHUDFJNVSUNTAM-QAPCUYQASA-N 1 2 459.812 4.875 20 0 JJADLO CC(C)(C)OC(=O)N1CCO[C@H](C[N@H+]2CCC[C@H]2c2ccc(Br)cc2Cl)C1 ZINC001460604281 1067668739 /nfs/dbraw/zinc/66/87/39/1067668739.db2.gz LHUDFJNVSUNTAM-QAPCUYQASA-N 1 2 459.812 4.875 20 0 JJADLO C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC001460612527 1067671817 /nfs/dbraw/zinc/67/18/17/1067671817.db2.gz VTCNGHSECCILIU-GDBMZVCRSA-N 1 2 457.397 4.931 20 0 JJADLO C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@H+]1Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC001460612527 1067671823 /nfs/dbraw/zinc/67/18/23/1067671823.db2.gz VTCNGHSECCILIU-GDBMZVCRSA-N 1 2 457.397 4.931 20 0 JJADLO COc1ccc([C@@H]2C[N@@H+]([C@@H](C)c3nc(-c4cccs4)no3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001460652507 1067687976 /nfs/dbraw/zinc/68/79/76/1067687976.db2.gz RXNIXFLRCQOIFO-ZYSHUDEJSA-N 1 2 470.595 4.860 20 0 JJADLO COc1ccc([C@@H]2C[N@H+]([C@@H](C)c3nc(-c4cccs4)no3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001460652507 1067687982 /nfs/dbraw/zinc/68/79/82/1067687982.db2.gz RXNIXFLRCQOIFO-ZYSHUDEJSA-N 1 2 470.595 4.860 20 0 JJADLO CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC001460662478 1067692524 /nfs/dbraw/zinc/69/25/24/1067692524.db2.gz UPMULTSJICVOHR-CQOQZXRMSA-N 1 2 459.606 4.647 20 0 JJADLO CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC001460662478 1067692527 /nfs/dbraw/zinc/69/25/27/1067692527.db2.gz UPMULTSJICVOHR-CQOQZXRMSA-N 1 2 459.606 4.647 20 0 JJADLO COC(=O)[C@]12CCC[C@H]1[N@H+](Cc1csc(N(C(C)=O)c3ccc(C(F)(F)F)cc3)n1)CC2 ZINC001460734709 1067712123 /nfs/dbraw/zinc/71/21/23/1067712123.db2.gz SVDVDARNLBVNHE-NQIIRXRSSA-N 1 2 467.513 4.764 20 0 JJADLO COC(=O)[C@]12CCC[C@H]1[N@@H+](Cc1csc(N(C(C)=O)c3ccc(C(F)(F)F)cc3)n1)CC2 ZINC001460734709 1067712128 /nfs/dbraw/zinc/71/21/28/1067712128.db2.gz SVDVDARNLBVNHE-NQIIRXRSSA-N 1 2 467.513 4.764 20 0 JJADLO CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCCN2C(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC001460755261 1067717263 /nfs/dbraw/zinc/71/72/63/1067717263.db2.gz ANMWNXICNUFMCK-XZOQPEGZSA-N 1 2 452.599 4.573 20 0 JJADLO CC(C)c1cccc(C(C)C)c1NC(=O)C[N@@H+]1CC[C@]2(C1)CN(C(=O)OC(C)(C)C)CCO2 ZINC001460773156 1067720576 /nfs/dbraw/zinc/72/05/76/1067720576.db2.gz NSYQPRCXTXJADT-SANMLTNESA-N 1 2 459.631 4.584 20 0 JJADLO CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+]1CC[C@]2(C1)CN(C(=O)OC(C)(C)C)CCO2 ZINC001460773156 1067720580 /nfs/dbraw/zinc/72/05/80/1067720580.db2.gz NSYQPRCXTXJADT-SANMLTNESA-N 1 2 459.631 4.584 20 0 JJADLO CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)C[N@@H+]2CC[C@@H](c3cnccn3)C2)cc1 ZINC001460857610 1067735984 /nfs/dbraw/zinc/73/59/84/1067735984.db2.gz LUMAHTWQZNWHQQ-QGZVFWFLSA-N 1 2 452.942 4.749 20 0 JJADLO CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)C[N@H+]2CC[C@@H](c3cnccn3)C2)cc1 ZINC001460857610 1067735992 /nfs/dbraw/zinc/73/59/92/1067735992.db2.gz LUMAHTWQZNWHQQ-QGZVFWFLSA-N 1 2 452.942 4.749 20 0 JJADLO CC(C)(C)OC(=O)Nc1cccc2c1CC[N@@H+]([C@H]1CCN(c3ccc(F)c(Cl)c3)C1=O)C2 ZINC001460889603 1067743705 /nfs/dbraw/zinc/74/37/05/1067743705.db2.gz JYERAYVBWIRYAN-NRFANRHFSA-N 1 2 459.949 4.990 20 0 JJADLO CC(C)(C)OC(=O)Nc1cccc2c1CC[N@H+]([C@H]1CCN(c3ccc(F)c(Cl)c3)C1=O)C2 ZINC001460889603 1067743711 /nfs/dbraw/zinc/74/37/11/1067743711.db2.gz JYERAYVBWIRYAN-NRFANRHFSA-N 1 2 459.949 4.990 20 0 JJADLO COC(=O)[C@H](c1ccccc1Cl)[NH+]1CCC2(CCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC001460975283 1067755171 /nfs/dbraw/zinc/75/51/71/1067755171.db2.gz FYPAKMYCBAVVIM-PXNSSMCTSA-N 1 2 451.007 4.961 20 0 JJADLO O=C(c1cc(F)c(F)cc1Cl)N(CCCn1cc[nH+]c1)c1ccc(Br)cn1 ZINC001461088234 1067779485 /nfs/dbraw/zinc/77/94/85/1067779485.db2.gz RMZGEKWOSIOOEJ-UHFFFAOYSA-N 1 2 455.690 4.709 20 0 JJADLO CC[C@H](C)[C@@H]([NH2+]Cc1ncc(Br)s1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001461148273 1067789622 /nfs/dbraw/zinc/78/96/22/1067789622.db2.gz IGYGCFDSEOQMCZ-IFXJQAMLSA-N 1 2 451.434 4.649 20 0 JJADLO CCOc1c(Br)cc(Br)cc1C[NH2+]Cc1cn2c(cccc2C)n1 ZINC001461191171 1067796334 /nfs/dbraw/zinc/79/63/34/1067796334.db2.gz UJVWPRUXSRWEHL-UHFFFAOYSA-N 1 2 453.178 4.856 20 0 JJADLO COc1ccccc1[C@H]([NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1)c1ccco1 ZINC001461317194 1067826967 /nfs/dbraw/zinc/82/69/67/1067826967.db2.gz RFRIWKBFYIFPCU-VWLOTQADSA-N 1 2 456.970 4.532 20 0 JJADLO Cc1nn(-c2ccc(Br)cc2)cc1CNc1ccccc1OCCn1cc[nH+]c1 ZINC001461323833 1067828012 /nfs/dbraw/zinc/82/80/12/1067828012.db2.gz HVSQBYDYWOLBTR-UHFFFAOYSA-N 1 2 452.356 4.831 20 0 JJADLO COc1ccc(Br)cc1C1([NH2+]Cc2ccccc2I)CC1 ZINC001461590599 1067895494 /nfs/dbraw/zinc/89/54/94/1067895494.db2.gz WYQLJQFZRCQVRR-UHFFFAOYSA-N 1 2 458.137 4.841 20 0 JJADLO CCOc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)NC(=O)OC(C)(C)C)cc(Br)c1O ZINC001461890113 1067955404 /nfs/dbraw/zinc/95/54/04/1067955404.db2.gz YBJVUUAYWDTALO-RHSMWYFYSA-N 1 2 457.409 4.821 20 0 JJADLO CCOc1cc(C[N@H+]2CCCC[C@@H]2[C@@H](C)NC(=O)OC(C)(C)C)cc(Br)c1O ZINC001461890113 1067955407 /nfs/dbraw/zinc/95/54/07/1067955407.db2.gz YBJVUUAYWDTALO-RHSMWYFYSA-N 1 2 457.409 4.821 20 0 JJADLO Cc1nc(CSc2ccccc2C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)cs1 ZINC001461948027 1067966788 /nfs/dbraw/zinc/96/67/88/1067966788.db2.gz VKLACNOHXXBYRD-UHFFFAOYSA-N 1 2 456.662 4.622 20 0 JJADLO O=C(NC[C@H]1CCC[N@H+](Cc2nc(Cl)ccc2Br)C1)Nc1cccc(F)c1 ZINC001461957796 1067968780 /nfs/dbraw/zinc/96/87/80/1067968780.db2.gz JHLUEPZFRHTLHU-CYBMUJFWSA-N 1 2 455.759 4.670 20 0 JJADLO O=C(NC[C@H]1CCC[N@@H+](Cc2nc(Cl)ccc2Br)C1)Nc1cccc(F)c1 ZINC001461957796 1067968786 /nfs/dbraw/zinc/96/87/86/1067968786.db2.gz JHLUEPZFRHTLHU-CYBMUJFWSA-N 1 2 455.759 4.670 20 0 JJADLO Cc1cc(N2CCN(Cc3cccc(Br)c3OC(F)F)CC2)nc(C(C)C)[nH+]1 ZINC001462028191 1067984503 /nfs/dbraw/zinc/98/45/03/1067984503.db2.gz JHYMGVWNJQDDDW-UHFFFAOYSA-N 1 2 455.347 4.595 20 0 JJADLO C[C@@H]1C[N@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)[C@H](C)CN1C(=O)OC(C)(C)C ZINC001462074779 1067996736 /nfs/dbraw/zinc/99/67/36/1067996736.db2.gz YAZUZUFNRODURZ-IAGOWNOFSA-N 1 2 452.521 4.780 20 0 JJADLO C[C@@H]1C[N@@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)[C@H](C)CN1C(=O)OC(C)(C)C ZINC001462074779 1067996746 /nfs/dbraw/zinc/99/67/46/1067996746.db2.gz YAZUZUFNRODURZ-IAGOWNOFSA-N 1 2 452.521 4.780 20 0 JJADLO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[N@@H+]1Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC001462074782 1067997078 /nfs/dbraw/zinc/99/70/78/1067997078.db2.gz YAZUZUFNRODURZ-SJORKVTESA-N 1 2 452.521 4.780 20 0 JJADLO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[N@H+]1Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC001462074782 1067997085 /nfs/dbraw/zinc/99/70/85/1067997085.db2.gz YAZUZUFNRODURZ-SJORKVTESA-N 1 2 452.521 4.780 20 0 JJADLO Fc1ccc(Oc2ccc(C[N@@H+]3CCCN(c4nnc(C(F)(F)F)s4)CC3)cn2)cc1 ZINC001462086570 1067999543 /nfs/dbraw/zinc/99/95/43/1067999543.db2.gz RZXLODNFTNSCNH-UHFFFAOYSA-N 1 2 453.465 4.596 20 0 JJADLO Fc1ccc(Oc2ccc(C[N@H+]3CCCN(c4nnc(C(F)(F)F)s4)CC3)cn2)cc1 ZINC001462086570 1067999552 /nfs/dbraw/zinc/99/95/52/1067999552.db2.gz RZXLODNFTNSCNH-UHFFFAOYSA-N 1 2 453.465 4.596 20 0 JJADLO COC(=O)[C@@H](C[C@H]1CCCc2ccccc21)NCc1c[nH+]c2c(C)cc(Br)cn12 ZINC001462122058 1068009594 /nfs/dbraw/zinc/00/95/94/1068009594.db2.gz ZRZOYKQSDUDKEX-DYESRHJHSA-N 1 2 456.384 4.547 20 0 JJADLO COCO[C@@H](C)c1cc(F)c(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)cc1Br ZINC001462127683 1068011166 /nfs/dbraw/zinc/01/11/66/1068011166.db2.gz NXNHDCGXLDFVSE-NYHFZMIOSA-N 1 2 450.348 4.901 20 0 JJADLO COCO[C@@H](C)c1cc(F)c(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)cc1Br ZINC001462127683 1068011176 /nfs/dbraw/zinc/01/11/76/1068011176.db2.gz NXNHDCGXLDFVSE-NYHFZMIOSA-N 1 2 450.348 4.901 20 0 JJADLO Cc1nn(C)c(C[NH+]2CCC(F)(c3ccccc3OC(F)(F)F)CC2)c1Br ZINC001462156656 1068018398 /nfs/dbraw/zinc/01/83/98/1068018398.db2.gz PJKPGHGOEJESRQ-UHFFFAOYSA-N 1 2 450.274 4.850 20 0 JJADLO CCN(Cc1ccccc1)c1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccc(C)cc3)CCO2)cc1 ZINC001462244511 1068036847 /nfs/dbraw/zinc/03/68/47/1068036847.db2.gz QZGWQGHWNCHMEP-MUUNZHRXSA-N 1 2 457.618 4.652 20 0 JJADLO CCN(Cc1ccccc1)c1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccc(C)cc3)CCO2)cc1 ZINC001462244511 1068036861 /nfs/dbraw/zinc/03/68/61/1068036861.db2.gz QZGWQGHWNCHMEP-MUUNZHRXSA-N 1 2 457.618 4.652 20 0 JJADLO CCOc1cc(-c2ccccc2)sc1C(=O)NC[C@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC001462246877 1068037567 /nfs/dbraw/zinc/03/75/67/1068037567.db2.gz WLDBQBSISLYWCG-QFIPXVFZSA-N 1 2 450.604 4.753 20 0 JJADLO CCOc1cc(-c2ccccc2)sc1C(=O)NC[C@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC001462246877 1068037580 /nfs/dbraw/zinc/03/75/80/1068037580.db2.gz WLDBQBSISLYWCG-QFIPXVFZSA-N 1 2 450.604 4.753 20 0 JJADLO Oc1c(Br)cc(C[NH2+]Cc2c(F)cccc2-n2cccn2)cc1Br ZINC001462250406 1068038152 /nfs/dbraw/zinc/03/81/52/1068038152.db2.gz XTHFTWYWDBXLML-UHFFFAOYSA-N 1 2 455.125 4.532 20 0 JJADLO COC(=O)N1CCN(c2ccc(N[C@H](C)Cc3ccc(Cl)c(C(F)(F)F)c3)c[nH+]2)CC1 ZINC001462276174 1068042508 /nfs/dbraw/zinc/04/25/08/1068042508.db2.gz NYOFAGTUVNFIAZ-CQSZACIVSA-N 1 2 456.896 4.685 20 0 JJADLO Cc1ccc(-n2c(Cl)c(C[N@@H+]3CCC[C@](CO)(Cc4ccccc4)C3)nc2N(C)C)cc1 ZINC001462280469 1068043173 /nfs/dbraw/zinc/04/31/73/1068043173.db2.gz BXWVTLVNVFVOEW-SANMLTNESA-N 1 2 453.030 4.717 20 0 JJADLO Cc1ccc(-n2c(Cl)c(C[N@H+]3CCC[C@](CO)(Cc4ccccc4)C3)nc2N(C)C)cc1 ZINC001462280469 1068043191 /nfs/dbraw/zinc/04/31/91/1068043191.db2.gz BXWVTLVNVFVOEW-SANMLTNESA-N 1 2 453.030 4.717 20 0 JJADLO CCc1ccc(C[NH+]2CCN(C(=O)c3nc(C(C)C)ncc3OCc3ccccc3)CC2)cc1 ZINC001462465973 1068080355 /nfs/dbraw/zinc/08/03/55/1068080355.db2.gz HCTYPEHZPVMQKG-UHFFFAOYSA-N 1 2 458.606 4.699 20 0 JJADLO CC(=O)N(c1nc(C[NH2+][C@H]2CCCCC23OCCO3)cs1)c1cccc(C(F)(F)F)c1 ZINC001462660542 1068126493 /nfs/dbraw/zinc/12/64/93/1068126493.db2.gz CGSVRIBMFXFFKQ-SFHVURJKSA-N 1 2 455.502 4.622 20 0 JJADLO CCN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2ccc(I)s2)CC1 ZINC001462691639 1068132815 /nfs/dbraw/zinc/13/28/15/1068132815.db2.gz UMAUEAUNNICUSL-UHFFFAOYSA-N 1 2 450.386 4.574 20 0 JJADLO Cc1cc(C)c(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(C)c1F ZINC001462709770 1068138921 /nfs/dbraw/zinc/13/89/21/1068138921.db2.gz XVQPIXQYGRSGLO-UHFFFAOYSA-N 1 2 452.595 4.847 20 0 JJADLO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc(Br)c(C)c1)c1ccccc1Cl ZINC001462733017 1068147173 /nfs/dbraw/zinc/14/71/73/1068147173.db2.gz SMPTWVSEDVTPLT-IBGZPJMESA-N 1 2 459.837 4.772 20 0 JJADLO CCC(F)(F)C(C)(C)CS(=O)(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001463071962 1068276787 /nfs/dbraw/zinc/27/67/87/1068276787.db2.gz ZNFPMDRPCJDSAQ-UHFFFAOYSA-N 1 2 457.414 4.949 20 0 JJADLO O=S(=O)(NCc1c(Cl)cccc1-n1cc[nH+]c1)c1cc(Cl)ccc1C(F)(F)F ZINC001463761621 1068516636 /nfs/dbraw/zinc/51/66/36/1068516636.db2.gz QNKUSTKHJQPTOM-UHFFFAOYSA-N 1 2 450.269 4.676 20 0 JJADLO CC(=O)c1ccc(Oc2ccc(C(=O)N3CCN(c4cc(C)[nH+]c(C(C)C)n4)CC3)cc2)cc1 ZINC001463770918 1068519219 /nfs/dbraw/zinc/51/92/19/1068519219.db2.gz GONRFLWLMBMSBV-UHFFFAOYSA-N 1 2 458.562 4.866 20 0 JJADLO CC[C@H](Cc1cccc(Br)c1)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001463774171 1068521055 /nfs/dbraw/zinc/52/10/55/1068521055.db2.gz YNJLCNFRPHUAED-LJQANCHMSA-N 1 2 459.432 4.588 20 0 JJADLO Cc1ccc(C)c(C(=O)CCC(=O)NN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC001463797068 1068527647 /nfs/dbraw/zinc/52/76/47/1068527647.db2.gz VJRUHVWLPPYGOK-UHFFFAOYSA-N 1 2 455.602 4.705 20 0 JJADLO CN(c1ccccc1)c1ccc(C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cn1 ZINC001463808590 1068532220 /nfs/dbraw/zinc/53/22/20/1068532220.db2.gz IZBDVNMRUJDGAY-UHFFFAOYSA-N 1 2 454.496 4.826 20 0 JJADLO O=C(c1cnc(-c2ccccc2Br)s1)N1CC[NH+](CCc2ccccc2)CC1 ZINC001463849309 1068547786 /nfs/dbraw/zinc/54/77/86/1068547786.db2.gz IPRXNAAVITXYHP-UHFFFAOYSA-N 1 2 456.409 4.573 20 0 JJADLO CCC(CC)[C@H](CNC(=O)c1sc(-c2ccco2)nc1-c1ccccc1)[NH+]1CCOCC1 ZINC001463873248 1068553020 /nfs/dbraw/zinc/55/30/20/1068553020.db2.gz LPTOSFOLHHUCER-FQEVSTJZSA-N 1 2 453.608 4.937 20 0 JJADLO C[C@H](NS(=O)(=O)c1cccc2c1CC[N@H+](C)C2)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC001464030210 1068593495 /nfs/dbraw/zinc/59/34/95/1068593495.db2.gz OJXMEVNBEANQLO-PMACEKPBSA-N 1 2 450.604 4.854 20 0 JJADLO C[C@H](NS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC001464030210 1068593501 /nfs/dbraw/zinc/59/35/01/1068593501.db2.gz OJXMEVNBEANQLO-PMACEKPBSA-N 1 2 450.604 4.854 20 0 JJADLO Cc1ccc(-c2noc(CCC[NH+]3CCN(C(=O)c4cc(C)c(C)cc4Cl)CC3)n2)cc1 ZINC001464077296 1068607822 /nfs/dbraw/zinc/60/78/22/1068607822.db2.gz YJKCZHMBDXRUPC-UHFFFAOYSA-N 1 2 452.986 4.706 20 0 JJADLO O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[C@H]1CCN(c2ccccc2Cl)C1 ZINC001464128340 1068626130 /nfs/dbraw/zinc/62/61/30/1068626130.db2.gz DDEFFLSCTXSAGG-KKSFZXQISA-N 1 2 450.385 4.912 20 0 JJADLO Cc1n[nH]c(C(F)(F)F)c1C(=O)Nc1ccc(C[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC001464131395 1068627666 /nfs/dbraw/zinc/62/76/66/1068627666.db2.gz BZWLLIIMCQGTQC-UHFFFAOYSA-N 1 2 457.500 4.620 20 0 JJADLO O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1c(C(F)(F)F)nc2ccccn21 ZINC001464133073 1068628614 /nfs/dbraw/zinc/62/86/14/1068628614.db2.gz XAYPTALDGRAZNN-OAHLLOKOSA-N 1 2 454.855 4.713 20 0 JJADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1ccc(Br)cc1Br ZINC001464388460 1068727761 /nfs/dbraw/zinc/72/77/61/1068727761.db2.gz ZHQLIFVZZHOCAZ-UHFFFAOYSA-N 1 2 459.207 4.906 20 0 JJADLO Cc1nc(NCc2cccc(C(=O)Nc3cc(Cl)ccc3OC[C@@H]3CCCO3)c2)cc[nH+]1 ZINC001464470264 1068758392 /nfs/dbraw/zinc/75/83/92/1068758392.db2.gz JMYODRBWOLCUAJ-FQEVSTJZSA-N 1 2 452.942 4.861 20 0 JJADLO O=S(=O)(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1ccc(-c2ccccc2)cc1 ZINC001464502282 1068767351 /nfs/dbraw/zinc/76/73/51/1068767351.db2.gz JSFGGWYPJKXISK-DHIUTWEWSA-N 1 2 460.521 4.695 20 0 JJADLO O=S(=O)(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1ccc(-c2ccccc2)cc1 ZINC001464502282 1068767357 /nfs/dbraw/zinc/76/73/57/1068767357.db2.gz JSFGGWYPJKXISK-DHIUTWEWSA-N 1 2 460.521 4.695 20 0 JJADLO COC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC001464715328 1068836236 /nfs/dbraw/zinc/83/62/36/1068836236.db2.gz ODNQXJRPESMMOI-IMSXRSKXSA-N 1 2 454.998 4.553 20 0 JJADLO FC(F)(c1ccc2ncc(Cl)nc2c1)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164416292 718889873 /nfs/dbraw/zinc/88/98/73/718889873.db2.gz CTWAQAIISAJFPY-MRXNPFEDSA-N 1 2 494.727 4.816 20 0 JJADLO Cc1ccc(C(F)(F)N2CCO[C@@H](c3[nH+]cn4c3cccc4Br)C2)nc1Cl ZINC001164417570 718890541 /nfs/dbraw/zinc/89/05/41/718890541.db2.gz LNMJDLWJOFJXDV-CYBMUJFWSA-N 1 2 457.706 4.576 20 0 JJADLO FC(F)(c1ccc2cnc(Cl)nc2c1)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164417483 718890650 /nfs/dbraw/zinc/89/06/50/718890650.db2.gz KTQTZAZMPMXPED-MRXNPFEDSA-N 1 2 494.727 4.816 20 0 JJADLO FC(F)(c1c[nH]c2nc(Cl)ccc21)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164416302 718890667 /nfs/dbraw/zinc/89/06/67/718890667.db2.gz CYBQJNDBCPZQGI-CQSZACIVSA-N 1 2 482.716 4.749 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3[nH]cc(Cl)c31)CC2 ZINC001164663755 719345407 /nfs/dbraw/zinc/34/54/07/719345407.db2.gz LHMAWJLXEWCILV-UHFFFAOYSA-N 1 2 482.419 4.959 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3[nH]cc(Cl)c31)CC2 ZINC001164663755 719345408 /nfs/dbraw/zinc/34/54/08/719345408.db2.gz LHMAWJLXEWCILV-UHFFFAOYSA-N 1 2 482.419 4.959 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccnc(NC(=O)OC(C)(C)C)n1)CC2 ZINC001164664482 719348067 /nfs/dbraw/zinc/34/80/67/719348067.db2.gz VLAZADDVFMBDAT-UHFFFAOYSA-N 1 2 489.624 4.518 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccnc(NC(=O)OC(C)(C)C)n1)CC2 ZINC001164664482 719348072 /nfs/dbraw/zinc/34/80/72/719348072.db2.gz VLAZADDVFMBDAT-UHFFFAOYSA-N 1 2 489.624 4.518 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3c1CSC3)CC2 ZINC001164664586 719348274 /nfs/dbraw/zinc/34/82/74/719348274.db2.gz ZQRKJYPNHJUXMD-UHFFFAOYSA-N 1 2 467.042 4.572 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3c1CSC3)CC2 ZINC001164664586 719348278 /nfs/dbraw/zinc/34/82/78/719348278.db2.gz ZQRKJYPNHJUXMD-UHFFFAOYSA-N 1 2 467.042 4.572 20 0 JJADLO CCOC(=O)c1c(C)cc(Cl)nc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@H+]2CC ZINC001164663490 719348620 /nfs/dbraw/zinc/34/86/20/719348620.db2.gz IKAWYKVQMYPRIN-UHFFFAOYSA-N 1 2 494.039 4.915 20 0 JJADLO CCOC(=O)c1c(C)cc(Cl)nc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@@H+]2CC ZINC001164663490 719348624 /nfs/dbraw/zinc/34/86/24/719348624.db2.gz IKAWYKVQMYPRIN-UHFFFAOYSA-N 1 2 494.039 4.915 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc3ccc(OC)cc3nc1Cl)CC2 ZINC001164664487 719348833 /nfs/dbraw/zinc/34/88/33/719348833.db2.gz VSHFDLHDWSIEFW-UHFFFAOYSA-N 1 2 489.023 4.987 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc3ccc(OC)cc3nc1Cl)CC2 ZINC001164664487 719348836 /nfs/dbraw/zinc/34/88/36/719348836.db2.gz VSHFDLHDWSIEFW-UHFFFAOYSA-N 1 2 489.023 4.987 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3sc(C)nc31)CC2 ZINC001164658541 719350939 /nfs/dbraw/zinc/35/09/39/719350939.db2.gz ISIYPOWDHCLXPG-UHFFFAOYSA-N 1 2 480.041 4.743 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3sc(C)nc31)CC2 ZINC001164658541 719350941 /nfs/dbraw/zinc/35/09/41/719350941.db2.gz ISIYPOWDHCLXPG-UHFFFAOYSA-N 1 2 480.041 4.743 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc3nccc(Cl)c3n1)CC2 ZINC001164658456 719352916 /nfs/dbraw/zinc/35/29/16/719352916.db2.gz HIWAMJKKZIDUPG-UHFFFAOYSA-N 1 2 458.997 4.978 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc3nccc(Cl)c3n1)CC2 ZINC001164658456 719352919 /nfs/dbraw/zinc/35/29/19/719352919.db2.gz HIWAMJKKZIDUPG-UHFFFAOYSA-N 1 2 458.997 4.978 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C)nc(-c3ccncc3)n1)CC2 ZINC001164658024 719352977 /nfs/dbraw/zinc/35/29/77/719352977.db2.gz BGAXDUZXJQRSBQ-UHFFFAOYSA-N 1 2 465.605 4.542 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C)nc(-c3ccncc3)n1)CC2 ZINC001164658024 719352978 /nfs/dbraw/zinc/35/29/78/719352978.db2.gz BGAXDUZXJQRSBQ-UHFFFAOYSA-N 1 2 465.605 4.542 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(-c3ccccc3OC)ncn1)CC2 ZINC001164659828 719353924 /nfs/dbraw/zinc/35/39/24/719353924.db2.gz SEHOTVFGOUESNF-UHFFFAOYSA-N 1 2 480.616 4.847 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(-c3ccccc3OC)ncn1)CC2 ZINC001164659828 719353927 /nfs/dbraw/zinc/35/39/27/719353927.db2.gz SEHOTVFGOUESNF-UHFFFAOYSA-N 1 2 480.616 4.847 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(-c3cccc(OC)c3)nn1)CC2 ZINC001164658890 719353955 /nfs/dbraw/zinc/35/39/55/719353955.db2.gz LGJOZUHAQZFHDE-UHFFFAOYSA-N 1 2 480.616 4.847 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(-c3cccc(OC)c3)nn1)CC2 ZINC001164658890 719353959 /nfs/dbraw/zinc/35/39/59/719353959.db2.gz LGJOZUHAQZFHDE-UHFFFAOYSA-N 1 2 480.616 4.847 20 0 JJADLO CCOC(=O)c1cnc(Cl)c(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c1Cl ZINC001164671241 719499477 /nfs/dbraw/zinc/49/94/77/719499477.db2.gz DBHUIPCPMIUBLN-UHFFFAOYSA-N 1 2 482.383 4.576 20 0 JJADLO CCOC(=O)c1cnc(Cl)c(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c1Cl ZINC001164671241 719499484 /nfs/dbraw/zinc/49/94/84/719499484.db2.gz DBHUIPCPMIUBLN-UHFFFAOYSA-N 1 2 482.383 4.576 20 0 JJADLO O=C(Nc1cccc(Cl)c1)c1ccc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc1 ZINC001164673963 719522709 /nfs/dbraw/zinc/52/27/09/719522709.db2.gz VZBYOKVEGZZKGJ-UHFFFAOYSA-N 1 2 494.998 4.998 20 0 JJADLO O=C(Nc1cccc(Cl)c1)c1ccc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc1 ZINC001164673963 719522718 /nfs/dbraw/zinc/52/27/18/719522718.db2.gz VZBYOKVEGZZKGJ-UHFFFAOYSA-N 1 2 494.998 4.998 20 0 JJADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nccc(SCc4ccccc4)n2)CC3)cc1 ZINC001164678468 719528140 /nfs/dbraw/zinc/52/81/40/719528140.db2.gz LGKAPUNJXXRLGA-UHFFFAOYSA-N 1 2 464.610 4.779 20 0 JJADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nccc(SCc4ccccc4)n2)CC3)cc1 ZINC001164678468 719528152 /nfs/dbraw/zinc/52/81/52/719528152.db2.gz LGKAPUNJXXRLGA-UHFFFAOYSA-N 1 2 464.610 4.779 20 0 JJADLO FC(F)(c1ccc(OCc2ccc(Cl)nc2)cc1)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001164677257 719566085 /nfs/dbraw/zinc/56/60/85/719566085.db2.gz XGLWHMXEYCWOPI-UHFFFAOYSA-N 1 2 471.895 4.654 20 0 JJADLO Fc1ccccc1-c1cc(C(F)(F)N2CCc3onc(Cn4cc[nH+]c4)c3C2)cnc1Cl ZINC001164676977 719566716 /nfs/dbraw/zinc/56/67/16/719566716.db2.gz SYMDGHONOUCVHK-UHFFFAOYSA-N 1 2 459.859 4.882 20 0 JJADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN(C(F)(F)c3cc4cc[nH]c4c(Cl)n3)CC2)cc1 ZINC001164696448 719830373 /nfs/dbraw/zinc/83/03/73/719830373.db2.gz KDXRSEYTIHKHRG-UHFFFAOYSA-N 1 2 496.949 4.666 20 0 JJADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc(-c2cccc(C)c2)nnc1Cl ZINC001164720864 720317300 /nfs/dbraw/zinc/31/73/00/720317300.db2.gz BOYJVCQMYKUQPI-NRFANRHFSA-N 1 2 488.970 4.668 20 0 JJADLO FC(F)(c1cnc(Cl)c(-c2ccc(Cl)cc2)c1)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164827708 720398814 /nfs/dbraw/zinc/39/88/14/720398814.db2.gz HFQGTQHJMHGQOM-UHFFFAOYSA-N 1 2 490.345 4.847 20 0 JJADLO FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164755865 720983535 /nfs/dbraw/zinc/98/35/35/720983535.db2.gz CMDKOPKFVPYMKV-CYBMUJFWSA-N 1 2 450.839 4.558 20 0 JJADLO Fc1cccc(-c2cc(C(F)(F)N3Cc4c[nH+]cn4C[C@H](COCC4CC4)C3)c(Cl)nn2)c1 ZINC001164756477 720984372 /nfs/dbraw/zinc/98/43/72/720984372.db2.gz JCXHYMIQHQBBPP-INIZCTEOSA-N 1 2 477.918 4.741 20 0 JJADLO COc1ccc(-c2cc(C(F)(F)N3Cc4c[nH+]cn4C[C@@H](COCC4CC4)C3)c(Cl)nn2)cc1 ZINC001164756366 720985054 /nfs/dbraw/zinc/98/50/54/720985054.db2.gz HHMDTKQCKXDKAO-QGZVFWFLSA-N 1 2 489.954 4.610 20 0 JJADLO COc1cccc(-c2cc(C(F)(F)N3Cc4c[nH+]cn4C[C@H](COCC4CC4)C3)c(Cl)nn2)c1 ZINC001164755596 720986052 /nfs/dbraw/zinc/98/60/52/720986052.db2.gz AZTFPJROZJNOBU-KRWDZBQOSA-N 1 2 489.954 4.610 20 0 JJADLO FC(F)(c1cc(Cl)nc2c1CCCCC2)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164758574 720986080 /nfs/dbraw/zinc/98/60/80/720986080.db2.gz WJARINSLPXJTBW-QGZVFWFLSA-N 1 2 450.961 4.808 20 0 JJADLO FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164871195 721219320 /nfs/dbraw/zinc/21/93/20/721219320.db2.gz IZAQOOHWULVCRZ-UHFFFAOYSA-N 1 2 471.939 4.613 20 0 JJADLO FC(F)(c1ccc2ccnc(Cl)c2c1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164768181 721273008 /nfs/dbraw/zinc/27/30/08/721273008.db2.gz LPGDEMBDOSYMKU-MRXNPFEDSA-N 1 2 455.896 4.740 20 0 JJADLO FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164767161 721277222 /nfs/dbraw/zinc/27/72/22/721277222.db2.gz HBYHVEHJJPIWPI-KRWDZBQOSA-N 1 2 482.922 4.649 20 0 JJADLO FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164770715 721277760 /nfs/dbraw/zinc/27/77/60/721277760.db2.gz XSNJYVWTOYNORV-INIZCTEOSA-N 1 2 471.895 4.847 20 0 JJADLO FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164782160 721399143 /nfs/dbraw/zinc/39/91/43/721399143.db2.gz DTRBYNWHKUGVAS-RYUDHWBXSA-N 1 2 456.349 4.506 20 0 JJADLO Fc1cccc(-c2cc(C(F)(F)N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)c(Cl)nn2)c1 ZINC001164781955 721438843 /nfs/dbraw/zinc/43/88/43/721438843.db2.gz HSLNOMDISGBXSG-GASCZTMLSA-N 1 2 465.932 4.506 20 0 JJADLO Fc1cccc(-c2cc(C(F)(F)N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)c(Cl)nn2)c1 ZINC001164781955 721438845 /nfs/dbraw/zinc/43/88/45/721438845.db2.gz HSLNOMDISGBXSG-GASCZTMLSA-N 1 2 465.932 4.506 20 0 JJADLO Cc1ccc(-c2cc(C(F)(F)N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164781854 721439085 /nfs/dbraw/zinc/43/90/85/721439085.db2.gz GYCZFNUUMXSGKX-IAGOWNOFSA-N 1 2 461.969 4.675 20 0 JJADLO Fc1ccc(-c2cc(C(F)(F)N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164786306 721439132 /nfs/dbraw/zinc/43/91/32/721439132.db2.gz UOQCLOAAJUUSDC-HUUCEWRRSA-N 1 2 465.932 4.506 20 0 JJADLO Cc1cccc(-c2cc(C(F)(F)N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)c(Cl)nn2)c1 ZINC001164783182 721439261 /nfs/dbraw/zinc/43/92/61/721439261.db2.gz NETQJXFTKKEJNY-IAGOWNOFSA-N 1 2 461.969 4.675 20 0 JJADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)Oc1ccc(-c3ccnc(Cl)c3)cc1)C2 ZINC001165010730 721705671 /nfs/dbraw/zinc/70/56/71/721705671.db2.gz LESSJECCUGYLOA-UHFFFAOYSA-N 1 2 476.959 4.669 20 0 JJADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)Oc1ccc(-c3ccnc(Cl)c3)cc1)C2 ZINC001165010730 721705676 /nfs/dbraw/zinc/70/56/76/721705676.db2.gz LESSJECCUGYLOA-UHFFFAOYSA-N 1 2 476.959 4.669 20 0 JJADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cnc(Cl)c(-c3cccs3)c1)C2 ZINC001165011382 721721741 /nfs/dbraw/zinc/72/17/41/721721741.db2.gz PPOCPIYHPUMYFM-UHFFFAOYSA-N 1 2 466.989 4.850 20 0 JJADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cnc(Cl)c(-c3cccs3)c1)C2 ZINC001165011382 721721745 /nfs/dbraw/zinc/72/17/45/721721745.db2.gz PPOCPIYHPUMYFM-UHFFFAOYSA-N 1 2 466.989 4.850 20 0 JJADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(-c3ccccc3F)nc3ccc(F)cc32)CC1 ZINC001164917396 721814296 /nfs/dbraw/zinc/81/42/96/721814296.db2.gz LVTKYPAYNVTHBA-UHFFFAOYSA-N 1 2 460.532 4.521 20 0 JJADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2cnc(Cl)nc2Oc2ccccc2Cl)CC1 ZINC001164919489 721821089 /nfs/dbraw/zinc/82/10/89/721821089.db2.gz RSCRCGHTGJUYPG-UHFFFAOYSA-N 1 2 459.381 4.522 20 0 JJADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2cc(-c3ccc(C)cc3)nnc2Cl)CC1 ZINC001164919410 721822092 /nfs/dbraw/zinc/82/20/92/721822092.db2.gz PZBJUPLYGNTJHY-UHFFFAOYSA-N 1 2 472.971 4.596 20 0 JJADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2cc(-c3ccc(C)cc3)nnc2Cl)CC1 ZINC001164919410 721822093 /nfs/dbraw/zinc/82/20/93/721822093.db2.gz PZBJUPLYGNTJHY-UHFFFAOYSA-N 1 2 472.971 4.596 20 0 JJADLO CC(C)c1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1C[C@@H]1CCCO[C@H]1C(C)C ZINC001359719054 1064266090 /nfs/dbraw/zinc/26/60/90/1064266090.db2.gz AJSISLRNPCGFGS-GMAHTHKFSA-N 1 2 460.066 4.828 20 0 JJADLO CC(C)c1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1C[C@H]1CCCO[C@H]1C(C)C ZINC001359719053 1064266353 /nfs/dbraw/zinc/26/63/53/1064266353.db2.gz AJSISLRNPCGFGS-GGAORHGYSA-N 1 2 460.066 4.828 20 0 JJADLO CC(C)c1nnc(N2CC[NH+](CCOc3ccccc3Cl)CC2)n1CCSC(F)(F)F ZINC001359721536 1064268678 /nfs/dbraw/zinc/26/86/78/1064268678.db2.gz YBRXACMQTPHFEI-UHFFFAOYSA-N 1 2 477.984 4.509 20 0 JJADLO C[C@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)cc1 ZINC001545865138 1064273025 /nfs/dbraw/zinc/27/30/25/1064273025.db2.gz PDMVPDSQKUOOPH-IBGZPJMESA-N 1 2 452.599 4.978 20 0 JJADLO CC(C)[C@@H]1CCCN1c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCNc1cccc[nH+]1 ZINC001359736033 1064295965 /nfs/dbraw/zinc/29/59/65/1064295965.db2.gz VWDGYIXUSAFQAE-QFIPXVFZSA-N 1 2 497.688 4.915 20 0 JJADLO CC(C)[C@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC001359745239 1064318663 /nfs/dbraw/zinc/31/86/63/1064318663.db2.gz DBBIUCNVBNRQFE-QHCPKHFHSA-N 1 2 496.744 4.663 20 0 JJADLO CC(C)[C@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1 ZINC001359745239 1064318690 /nfs/dbraw/zinc/31/86/90/1064318690.db2.gz DBBIUCNVBNRQFE-QHCPKHFHSA-N 1 2 496.744 4.663 20 0 JJADLO CC(C)[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2Cc2ccc(N(C)C)[nH+]c2)CCS1 ZINC001359747616 1064330626 /nfs/dbraw/zinc/33/06/26/1064330626.db2.gz FMCXWXBJESEPHB-HXUWFJFHSA-N 1 2 457.047 4.686 20 0 JJADLO Cc1cn2cc(NC(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3c3ccc(Cl)cc3)ccc2[nH+]1 ZINC001434944306 1064365792 /nfs/dbraw/zinc/36/57/92/1064365792.db2.gz MEMCYQBOYWAFEM-UXHICEINSA-N 1 2 454.958 4.885 20 0 JJADLO COc1cc(Cl)c(Br)cc1C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC001435097749 1064512689 /nfs/dbraw/zinc/51/26/89/1064512689.db2.gz PPZMSHOMRWDOOR-ZDUSSCGKSA-N 1 2 453.764 4.757 20 0 JJADLO CC(C)C[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001359878180 1064569049 /nfs/dbraw/zinc/56/90/49/1064569049.db2.gz HDXBXIFHDOPJOW-HBMCJLEFSA-N 1 2 476.065 4.665 20 0 JJADLO CC(C)C[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001359878180 1064569068 /nfs/dbraw/zinc/56/90/68/1064569068.db2.gz HDXBXIFHDOPJOW-HBMCJLEFSA-N 1 2 476.065 4.665 20 0 JJADLO CC(C)C[C@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001359879498 1064572921 /nfs/dbraw/zinc/57/29/21/1064572921.db2.gz XCFXCOIZPGJFJU-GOSISDBHSA-N 1 2 470.568 4.928 20 0 JJADLO CC(C)C[C@@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001359887404 1064583535 /nfs/dbraw/zinc/58/35/35/1064583535.db2.gz UTJOFLFSGFYJGT-UXHICEINSA-N 1 2 478.106 4.817 20 0 JJADLO CC(C)C[C@@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001359887404 1064583545 /nfs/dbraw/zinc/58/35/45/1064583545.db2.gz UTJOFLFSGFYJGT-UXHICEINSA-N 1 2 478.106 4.817 20 0 JJADLO CC(C)C[C@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001359887405 1064583585 /nfs/dbraw/zinc/58/35/85/1064583585.db2.gz UTJOFLFSGFYJGT-VQTJNVASSA-N 1 2 478.106 4.817 20 0 JJADLO CC(C)C[C@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001359887405 1064583602 /nfs/dbraw/zinc/58/36/02/1064583602.db2.gz UTJOFLFSGFYJGT-VQTJNVASSA-N 1 2 478.106 4.817 20 0 JJADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H](NC(=O)OC(C)(C)C)C1CCCCCC1 ZINC001435216563 1064597072 /nfs/dbraw/zinc/59/70/72/1064597072.db2.gz SIFRAJHBCCRMJB-HSZRJFAPSA-N 1 2 459.631 4.629 20 0 JJADLO CC(C)CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C)C1CC1 ZINC001359924667 1064655883 /nfs/dbraw/zinc/65/58/83/1064655883.db2.gz WAWFLSKGWGJUMQ-XMSQKQJNSA-N 1 2 461.601 4.768 20 0 JJADLO CO[C@H](CNC(=O)[C@H](c1cccc(Br)c1)[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC001435287337 1064664140 /nfs/dbraw/zinc/66/41/40/1064664140.db2.gz KEZPDEFRTQGEIW-UXHICEINSA-N 1 2 451.792 4.743 20 0 JJADLO CC(C)CCOC1CCN(c2nnc(CC(C)C)n2Cc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC001359958421 1064727891 /nfs/dbraw/zinc/72/78/91/1064727891.db2.gz VSXWIYJUEJPTQR-UHFFFAOYSA-N 1 2 454.663 4.552 20 0 JJADLO CC(C)CN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1)C(C)C ZINC001359989374 1064770321 /nfs/dbraw/zinc/77/03/21/1064770321.db2.gz KIILTUQYSQZMRC-HSZRJFAPSA-N 1 2 454.663 4.723 20 0 JJADLO CC(C)CN(c1nnc(COc2ccc(F)cc2)n1CCc1cn2ccccc2[nH+]1)C(C)C ZINC001359993346 1064776557 /nfs/dbraw/zinc/77/65/57/1064776557.db2.gz RXWJXDVNSLGKEQ-UHFFFAOYSA-N 1 2 450.562 4.757 20 0 JJADLO C[C@@H](c1cccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)C2CCCCCC2)c1)[NH+]1CCOCC1 ZINC001359997114 1064782899 /nfs/dbraw/zinc/78/28/99/1064782899.db2.gz NDIJYGMVBIEDDU-WMZHIEFXSA-N 1 2 459.631 4.882 20 0 JJADLO Cc1cccn2cc(CC(=O)N[C@@H](c3cccc(F)c3)c3cccc(Br)c3)[nH+]c12 ZINC001435502242 1064792330 /nfs/dbraw/zinc/79/23/30/1064792330.db2.gz JFFVIPZVHFJSNU-JOCHJYFZSA-N 1 2 452.327 4.993 20 0 JJADLO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC001435584981 1064850485 /nfs/dbraw/zinc/85/04/85/1064850485.db2.gz BWVSVCDHFHSENT-OAQYLSRUSA-N 1 2 454.983 4.710 20 0 JJADLO O=C(Nc1ccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1)c1cc(Cl)cc(Cl)c1 ZINC001435590569 1064856063 /nfs/dbraw/zinc/85/60/63/1064856063.db2.gz BUGAIWAOVYLCJY-HXUWFJFHSA-N 1 2 455.345 4.649 20 0 JJADLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc(Oc2ccc(Br)cc2)c(F)c1 ZINC001435593374 1064859292 /nfs/dbraw/zinc/85/92/92/1064859292.db2.gz SARQKVHBYNVVDH-QGZVFWFLSA-N 1 2 456.315 4.784 20 0 JJADLO C/C=C\c1ccc(OCC(=O)N2CC[N@@H+](Cc3ccc(C)nc3)C[C@@H]2[C@@H](C)CC)c(OC)c1 ZINC001435626296 1064888101 /nfs/dbraw/zinc/88/81/01/1064888101.db2.gz TXIJKDRUKOAVGB-MLOCNFCWSA-N 1 2 451.611 4.570 20 0 JJADLO C/C=C\c1ccc(OCC(=O)N2CC[N@H+](Cc3ccc(C)nc3)C[C@@H]2[C@@H](C)CC)c(OC)c1 ZINC001435626296 1064888111 /nfs/dbraw/zinc/88/81/11/1064888111.db2.gz TXIJKDRUKOAVGB-MLOCNFCWSA-N 1 2 451.611 4.570 20 0 JJADLO Cc1cccc(O[C@@H](C)C(=O)N2CC[NH+](CCOC(c3ccccc3)c3ccccc3)CC2)c1 ZINC001435634123 1064895598 /nfs/dbraw/zinc/89/55/98/1064895598.db2.gz ZIGZEXMWICOYHH-DEOSSOPVSA-N 1 2 458.602 4.713 20 0 JJADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)[C@H]2CC[C@H]2c2ccc(Cl)cc2F)c2ccc(Cl)cc2)C1 ZINC001435744753 1064969115 /nfs/dbraw/zinc/96/91/15/1064969115.db2.gz CLSWTVWNGOQOJR-XODARUQUSA-N 1 2 451.369 4.814 20 0 JJADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)[C@H]2CC[C@H]2c2ccc(Cl)cc2F)c2ccc(Cl)cc2)C1 ZINC001435744753 1064969129 /nfs/dbraw/zinc/96/91/29/1064969129.db2.gz CLSWTVWNGOQOJR-XODARUQUSA-N 1 2 451.369 4.814 20 0 JJADLO Cc1cccc(Oc2ccc(C(=O)N[C@@H](c3ccc(Cl)cc3)[C@H]3C[N@H+](C)CCO3)nc2)c1 ZINC001435747560 1064971514 /nfs/dbraw/zinc/97/15/14/1064971514.db2.gz KLDFJVQSFWSYFK-RPWUZVMVSA-N 1 2 451.954 4.637 20 0 JJADLO Cc1cccc(Oc2ccc(C(=O)N[C@@H](c3ccc(Cl)cc3)[C@H]3C[N@@H+](C)CCO3)nc2)c1 ZINC001435747560 1064971527 /nfs/dbraw/zinc/97/15/27/1064971527.db2.gz KLDFJVQSFWSYFK-RPWUZVMVSA-N 1 2 451.954 4.637 20 0 JJADLO Cc1sc(Br)c(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)c1C ZINC001435748802 1064972248 /nfs/dbraw/zinc/97/22/48/1064972248.db2.gz NCDANKVQACLTPS-RDJZCZTQSA-N 1 2 457.821 4.583 20 0 JJADLO Cc1sc(Br)c(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)c1C ZINC001435748802 1064972263 /nfs/dbraw/zinc/97/22/63/1064972263.db2.gz NCDANKVQACLTPS-RDJZCZTQSA-N 1 2 457.821 4.583 20 0 JJADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)c2ccc(Cl)cc2)C1 ZINC001435749612 1064973905 /nfs/dbraw/zinc/97/39/05/1064973905.db2.gz OWJRDXMKSQNYDB-XSDIEEQYSA-N 1 2 453.797 4.938 20 0 JJADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)c2ccc(Cl)cc2)C1 ZINC001435749612 1064973922 /nfs/dbraw/zinc/97/39/22/1064973922.db2.gz OWJRDXMKSQNYDB-XSDIEEQYSA-N 1 2 453.797 4.938 20 0 JJADLO Cc1cccc(C[NH+]2CCN(C(=O)c3c(F)ccc(C(F)(F)F)c3Br)CC2)c1 ZINC001435838043 1065016903 /nfs/dbraw/zinc/01/69/03/1065016903.db2.gz URMLIOFZDLMTOJ-UHFFFAOYSA-N 1 2 459.281 4.873 20 0 JJADLO C[C@@H](c1cccc(NC(=O)c2ccc(Cn3ccc(C(F)(F)F)n3)cc2)c1)[NH+]1CCOCC1 ZINC001360179637 1065067732 /nfs/dbraw/zinc/06/77/32/1065067732.db2.gz QINNRBUVFVLOHO-KRWDZBQOSA-N 1 2 458.484 4.596 20 0 JJADLO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC001360179205 1065067806 /nfs/dbraw/zinc/06/78/06/1065067806.db2.gz ADXYHXAYAUTVPR-SFHVURJKSA-N 1 2 452.986 4.847 20 0 JJADLO Cc1c[nH+]c2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3c3cccc(Cl)c3)ccn12 ZINC001436020138 1065117341 /nfs/dbraw/zinc/11/73/41/1065117341.db2.gz BMAHNQWPBAAYIN-HXUWFJFHSA-N 1 2 454.958 4.730 20 0 JJADLO CC1CCC(C)(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc(I)cc2)CC1 ZINC001436048176 1065142557 /nfs/dbraw/zinc/14/25/57/1065142557.db2.gz OTKRTCPFYDERLM-IPFXWSOASA-N 1 2 454.396 4.588 20 0 JJADLO CC1CCC(C)(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccc(I)cc2)CC1 ZINC001436048176 1065142563 /nfs/dbraw/zinc/14/25/63/1065142563.db2.gz OTKRTCPFYDERLM-IPFXWSOASA-N 1 2 454.396 4.588 20 0 JJADLO C[C@@H](OC(=O)c1cccnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1)c1ncccc1F ZINC001436063663 1065154854 /nfs/dbraw/zinc/15/48/54/1065154854.db2.gz ZRASMTJDTPUPHS-QGZVFWFLSA-N 1 2 454.933 4.509 20 0 JJADLO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC001436066662 1065156394 /nfs/dbraw/zinc/15/63/94/1065156394.db2.gz XWDJACXOKBXXKK-HXUWFJFHSA-N 1 2 456.999 4.994 20 0 JJADLO CN(C)C(=O)Sc1cc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)ccc1Cl ZINC001436183481 1065235681 /nfs/dbraw/zinc/23/56/81/1065235681.db2.gz ZWJRQLANCRQUSZ-LJQANCHMSA-N 1 2 450.029 4.842 20 0 JJADLO O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC001436213888 1065256720 /nfs/dbraw/zinc/25/67/20/1065256720.db2.gz LMSURTHIWZPBSW-UHFFFAOYSA-N 1 2 451.436 4.959 20 0 JJADLO CC(C)OCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001360407667 1065270953 /nfs/dbraw/zinc/27/09/53/1065270953.db2.gz ZBUNOCDHHYZSBF-UHFFFAOYSA-N 1 2 487.073 4.673 20 0 JJADLO Cc1ccc(-n2cc(C(=O)N3CC[N@@H+](Cc4ccc(Cl)cc4)C[C@@H]3CC(C)C)nn2)cc1 ZINC001436508946 1065338255 /nfs/dbraw/zinc/33/82/55/1065338255.db2.gz DSGNWKPRTDIVPD-QHCPKHFHSA-N 1 2 452.002 4.602 20 0 JJADLO Cc1ccc(-n2cc(C(=O)N3CC[N@H+](Cc4ccc(Cl)cc4)C[C@@H]3CC(C)C)nn2)cc1 ZINC001436508946 1065338266 /nfs/dbraw/zinc/33/82/66/1065338266.db2.gz DSGNWKPRTDIVPD-QHCPKHFHSA-N 1 2 452.002 4.602 20 0 JJADLO CC(C)C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1nscc1Br ZINC001436521089 1065340756 /nfs/dbraw/zinc/34/07/56/1065340756.db2.gz MYHJFYSYHCEGIS-MRXNPFEDSA-N 1 2 456.837 4.932 20 0 JJADLO CC(C)C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1nscc1Br ZINC001436521089 1065340766 /nfs/dbraw/zinc/34/07/66/1065340766.db2.gz MYHJFYSYHCEGIS-MRXNPFEDSA-N 1 2 456.837 4.932 20 0 JJADLO Cc1ccccc1-n1cc(C(=O)N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@H]2CC(C)C)nn1 ZINC001436522339 1065342324 /nfs/dbraw/zinc/34/23/24/1065342324.db2.gz XMCCYQMYVITHPW-JOCHJYFZSA-N 1 2 452.002 4.602 20 0 JJADLO Cc1ccccc1-n1cc(C(=O)N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@H]2CC(C)C)nn1 ZINC001436522339 1065342336 /nfs/dbraw/zinc/34/23/36/1065342336.db2.gz XMCCYQMYVITHPW-JOCHJYFZSA-N 1 2 452.002 4.602 20 0 JJADLO CC[C@H]1CCC[C@@]1(C)C(=O)Nc1ccccc1OCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC001436608608 1065396696 /nfs/dbraw/zinc/39/66/96/1065396696.db2.gz HZGMMXUCLXIUOH-RXFWQSSRSA-N 1 2 459.631 4.773 20 0 JJADLO CCN(C(=O)[C@@H]1CCc2cc(OC)ccc2C1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001360637925 1065701480 /nfs/dbraw/zinc/70/14/80/1065701480.db2.gz NFIMKUHYZFISAE-JOCHJYFZSA-N 1 2 450.627 4.539 20 0 JJADLO Cc1ccc(C(=O)N[C@@H](CC(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)c2ccccc2)cc1 ZINC001438864530 1065759624 /nfs/dbraw/zinc/75/96/24/1065759624.db2.gz XHXXJMUCFUTXQI-IZZNHLLZSA-N 1 2 452.558 4.610 20 0 JJADLO Cc1ccc(C(=O)N[C@@H](CC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)c2ccccc2)cc1 ZINC001438864535 1065759699 /nfs/dbraw/zinc/75/96/99/1065759699.db2.gz XHXXJMUCFUTXQI-UIOOFZCWSA-N 1 2 452.558 4.610 20 0 JJADLO C[C@@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)C[C@H]1CC=CCC1)[NH+]1CCOCC1 ZINC001360754499 1065805021 /nfs/dbraw/zinc/80/50/21/1065805021.db2.gz VVPWKTWQCXNZMX-ACRUOGEOSA-N 1 2 474.049 4.585 20 0 JJADLO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@H](C(C)(C)C)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001360756473 1065815459 /nfs/dbraw/zinc/81/54/59/1065815459.db2.gz VCTKULPGCNHHLC-SLFFLAALSA-N 1 2 476.065 4.665 20 0 JJADLO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@H](C(C)(C)C)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001360756473 1065815469 /nfs/dbraw/zinc/81/54/69/1065815469.db2.gz VCTKULPGCNHHLC-SLFFLAALSA-N 1 2 476.065 4.665 20 0 JJADLO C[C@H](Oc1ccccc1F)c1nnc(N(C)CCOC(C)(C)C)n1CCc1cn2ccccc2[nH+]1 ZINC001360767835 1065857290 /nfs/dbraw/zinc/85/72/90/1065857290.db2.gz UOLVLNDTPASLMU-IBGZPJMESA-N 1 2 480.588 4.699 20 0 JJADLO CC(C)[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001360768932 1065859153 /nfs/dbraw/zinc/85/91/53/1065859153.db2.gz AAEFYOCZIPEMBC-AZUAARDMSA-N 1 2 452.578 4.549 20 0 JJADLO C[C@](O)(Cc1ccccc1)C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC001440648695 1065958496 /nfs/dbraw/zinc/95/84/96/1065958496.db2.gz CVYZMDGPUINRIB-VWLOTQADSA-N 1 2 455.023 4.706 20 0 JJADLO COc1cccc(CC2(C(=O)N3CCN(c4cc(C)[nH+]c(C(C)C)n4)CC3)CCCCC2)c1 ZINC001440685676 1065966346 /nfs/dbraw/zinc/96/63/46/1065966346.db2.gz JXOZSRKIERMIRQ-UHFFFAOYSA-N 1 2 450.627 4.759 20 0 JJADLO O=C(c1cccnc1Nc1ccccc1F)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001440713925 1065970421 /nfs/dbraw/zinc/97/04/21/1065970421.db2.gz ZFROXRFUQQOQBG-UHFFFAOYSA-N 1 2 458.459 4.941 20 0 JJADLO CCOc1ccc(C[NH+]2CCN(C(=O)c3c(C)cc(Br)cc3Cl)CC2)cc1 ZINC001440734348 1065972946 /nfs/dbraw/zinc/97/29/46/1065972946.db2.gz DULJPUZZRPPKSL-UHFFFAOYSA-N 1 2 451.792 4.768 20 0 JJADLO Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H](C)C[C@H](C)C3)n2CC(C)(C)[NH+]2CCOCC2)c1C ZINC001360870983 1066004357 /nfs/dbraw/zinc/00/43/57/1066004357.db2.gz RWUOZYGUYAQQHM-SXWKCWPCSA-N 1 2 469.674 4.628 20 0 JJADLO Cc1ccc(-c2noc(CCC[NH+]3CCN(C(=O)c4ccc(C(F)F)cc4F)CC3)n2)cc1 ZINC001441189274 1066013574 /nfs/dbraw/zinc/01/35/74/1066013574.db2.gz UOAHVYYHPHRBTO-UHFFFAOYSA-N 1 2 458.484 4.512 20 0 JJADLO Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H](C(F)(F)F)C3)n2C[C@@H](C)[NH+]2CCOCC2)c1C ZINC001360875574 1066018559 /nfs/dbraw/zinc/01/85/59/1066018559.db2.gz VSIZBKWLJGDYRG-NRSPTQNISA-N 1 2 495.590 4.534 20 0 JJADLO Cc1cccc(O[C@H](C)c2nnc(N3CCCCCCC3)n2CC(C)(C)[NH+]2CCOCC2)c1C ZINC001360875836 1066020192 /nfs/dbraw/zinc/02/01/92/1066020192.db2.gz ZOCAAKYJNWBXSJ-HSZRJFAPSA-N 1 2 469.674 4.916 20 0 JJADLO COc1ccccc1-n1ncc(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1C ZINC001441315690 1066025981 /nfs/dbraw/zinc/02/59/81/1066025981.db2.gz DTIRTKHOFGNLBP-NRFANRHFSA-N 1 2 456.949 4.549 20 0 JJADLO Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC001360880638 1066033483 /nfs/dbraw/zinc/03/34/83/1066033483.db2.gz HFHMGNPHYRFSQL-UHFFFAOYSA-N 1 2 456.562 4.862 20 0 JJADLO O=C(Nc1nc(Cc2ccc(Br)cc2)cs1)c1cc(-n2cc[nH+]c2)ccc1O ZINC001441724049 1066064178 /nfs/dbraw/zinc/06/41/78/1066064178.db2.gz NEEWBKHSGVNTJV-UHFFFAOYSA-N 1 2 455.337 4.640 20 0 JJADLO Cc1ccsc1CCn1c(C(C)C)nnc1N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC001360917985 1066073380 /nfs/dbraw/zinc/07/33/80/1066073380.db2.gz GEKNBRIMUNXFTE-IBGZPJMESA-N 1 2 459.685 4.585 20 0 JJADLO CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC001442016119 1066085405 /nfs/dbraw/zinc/08/54/05/1066085405.db2.gz GIOMYVYKHSNPKU-NQIIRXRSSA-N 1 2 458.628 4.655 20 0 JJADLO CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC001442016119 1066085415 /nfs/dbraw/zinc/08/54/15/1066085415.db2.gz GIOMYVYKHSNPKU-NQIIRXRSSA-N 1 2 458.628 4.655 20 0 JJADLO CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC001442016120 1066085454 /nfs/dbraw/zinc/08/54/54/1066085454.db2.gz GIOMYVYKHSNPKU-RXVVDRJESA-N 1 2 458.628 4.655 20 0 JJADLO CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC001442016120 1066085464 /nfs/dbraw/zinc/08/54/64/1066085464.db2.gz GIOMYVYKHSNPKU-RXVVDRJESA-N 1 2 458.628 4.655 20 0 JJADLO Cc1c(I)cccc1C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC001442022316 1066085747 /nfs/dbraw/zinc/08/57/47/1066085747.db2.gz QWWJQPUWZHJLIA-LBPRGKRZSA-N 1 2 455.365 4.540 20 0 JJADLO Cc1c(I)cccc1C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC001442022316 1066085761 /nfs/dbraw/zinc/08/57/61/1066085761.db2.gz QWWJQPUWZHJLIA-LBPRGKRZSA-N 1 2 455.365 4.540 20 0 JJADLO Cc1ncsc1CN(C)c1nnc(-c2cccc(Cl)c2)n1CCCNc1cccc[nH+]1 ZINC001360932275 1066089802 /nfs/dbraw/zinc/08/98/02/1066089802.db2.gz KBFKXLVAFWWURK-UHFFFAOYSA-N 1 2 454.003 4.897 20 0 JJADLO Cc1sc(CNC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)nc1-c1ccc(Cl)cc1 ZINC001442225208 1066103747 /nfs/dbraw/zinc/10/37/47/1066103747.db2.gz WRFXEZCHRIHYOV-QHCPKHFHSA-N 1 2 456.011 4.586 20 0 JJADLO COc1cccc([C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2cccc(-c3[nH]c(C)c(C)[nH+]3)c2)c1 ZINC001442230256 1066105186 /nfs/dbraw/zinc/10/51/86/1066105186.db2.gz DRPNETFYUCMXCS-OAQYLSRUSA-N 1 2 450.539 4.907 20 0 JJADLO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)c2cnc(-c3c(Cl)cccc3Cl)s2)C[C@@H](C)O1 ZINC001442329934 1066116477 /nfs/dbraw/zinc/11/64/77/1066116477.db2.gz TZZJTFRJKDBLPZ-KFWWJZLASA-N 1 2 454.423 4.831 20 0 JJADLO COc1c(C)c[nH+]c(CNC(=O)c2ccc3c(c2)[C@@H](CNC(=O)OC(C)(C)C)CCC3)c1C ZINC001442657157 1066147546 /nfs/dbraw/zinc/14/75/46/1066147546.db2.gz LJEHOCUWLJEYIN-HXUWFJFHSA-N 1 2 453.583 4.582 20 0 JJADLO CCc1c(Br)cc(C(=O)NCC[NH+]2Cc3ccccc3C2)cc1Br ZINC001442709478 1066153654 /nfs/dbraw/zinc/15/36/54/1066153654.db2.gz RQTGOVPEGMVJNZ-UHFFFAOYSA-N 1 2 452.190 4.520 20 0 JJADLO O=C(c1cc(-c2ccccc2O)[nH]n1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC001442732062 1066156402 /nfs/dbraw/zinc/15/64/02/1066156402.db2.gz WFPCYPVDLDNQBE-UHFFFAOYSA-N 1 2 459.377 4.827 20 0 JJADLO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@H](C)[C@H](C)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001360989800 1066163884 /nfs/dbraw/zinc/16/38/84/1066163884.db2.gz KXVQADAJKNKMSU-ZHNGQKSSSA-N 1 2 490.092 4.891 20 0 JJADLO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@H](C)[C@@H](C)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001360989798 1066163913 /nfs/dbraw/zinc/16/39/13/1066163913.db2.gz KXVQADAJKNKMSU-GUGJDKNPSA-N 1 2 490.092 4.891 20 0 JJADLO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@H](C)[C@@H]2C)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001360990007 1066164969 /nfs/dbraw/zinc/16/49/69/1066164969.db2.gz ONEOLCGSBNSWHS-NASSWSRMSA-N 1 2 476.065 4.644 20 0 JJADLO Cc1ncc(C[NH+]2CCN(c3nnc(CC(C)C)n3C[C@H](C)c3cccc(C)c3)CC2)s1 ZINC001361007426 1066187062 /nfs/dbraw/zinc/18/70/62/1066187062.db2.gz KOKUNZKVKAWDNG-FQEVSTJZSA-N 1 2 452.672 4.676 20 0 JJADLO Cc1cc(C)c(NC(=O)CN(C)c2nnc(CC(C)C)n2Cc2ccc(N3CCCC3)[nH+]c2)c(C)c1 ZINC001361014588 1066201195 /nfs/dbraw/zinc/20/11/95/1066201195.db2.gz QSJCUIXXRADJKR-UHFFFAOYSA-N 1 2 489.668 4.520 20 0 JJADLO Cc1cc(C)cc(OCc2nnc(N(C)CC3COC(C)(C)OC3)n2CCCc2cccc(C)[nH+]2)c1 ZINC001361021905 1066215880 /nfs/dbraw/zinc/21/58/80/1066215880.db2.gz ABEOEEWDEHOFBN-UHFFFAOYSA-N 1 2 493.652 4.645 20 0 JJADLO CC[C@@]1(C)CC[C@@H](Cn2c(N3CC[NH+](Cc4cccc(Cl)c4)CC3)nnc2C(C)(C)C)O1 ZINC001546059230 1066263099 /nfs/dbraw/zinc/26/30/99/1066263099.db2.gz GVZPKAQUJAWYDX-OFVILXPXSA-N 1 2 460.066 4.899 20 0 JJADLO CC(C)(C)OC(=O)N1[C@H](C(=O)NCCn2c[nH+]cc2-c2ccccc2)CC[C@H]2CCCC[C@@H]21 ZINC001454327509 1066270282 /nfs/dbraw/zinc/27/02/82/1066270282.db2.gz KLHVTCNSUHULOD-FSSWDIPSSA-N 1 2 452.599 4.625 20 0 JJADLO COc1cccc([C@@H]2CN(C(=O)c3cn(C(C)(C)C)nc3-c3ccccc3Cl)CC[NH2+]2)c1 ZINC001454479539 1066289847 /nfs/dbraw/zinc/28/98/47/1066289847.db2.gz VVOPACCKYQBXQM-QFIPXVFZSA-N 1 2 452.986 4.754 20 0 JJADLO Cc1sc2nc(CS[C@H](C)C(=O)Nc3ccc(-n4cc[nH+]c4)c(C)c3)[nH]c(=O)c2c1C ZINC001443312199 1066294422 /nfs/dbraw/zinc/29/44/22/1066294422.db2.gz LNINPDIOZZOAOR-OAHLLOKOSA-N 1 2 453.593 4.768 20 0 JJADLO Cc1cc(NC(=O)[C@@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)ccc1-n1cc[nH+]c1 ZINC001443310829 1066294701 /nfs/dbraw/zinc/29/47/01/1066294701.db2.gz ILFJERFFEFICDR-WZONZLPQSA-N 1 2 454.933 4.910 20 0 JJADLO O=C(NCCCCNc1cccc[nH+]1)[C@@H](Oc1ccccc1Br)c1ccccc1 ZINC001443404987 1066306132 /nfs/dbraw/zinc/30/61/32/1066306132.db2.gz GAQDBIVIGAMHBF-QFIPXVFZSA-N 1 2 454.368 4.973 20 0 JJADLO Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@@H](C)[C@H](C)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001361087226 1066325969 /nfs/dbraw/zinc/32/59/69/1066325969.db2.gz CLHPRSDWRFBPIG-WOJBJXKFSA-N 1 2 483.060 4.853 20 0 JJADLO Cc1cc(Cl)ccc1OCCCc1nnc(N(C)C2CCC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001361087559 1066327468 /nfs/dbraw/zinc/32/74/68/1066327468.db2.gz NRTCJTYZRLVKTD-UHFFFAOYSA-N 1 2 469.033 4.750 20 0 JJADLO O=C([C@@H](O)c1ccc(Cl)cc1F)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC001443627884 1066339170 /nfs/dbraw/zinc/33/91/70/1066339170.db2.gz APBMZLQTLTZPPN-FQEVSTJZSA-N 1 2 454.304 4.621 20 0 JJADLO Cc1noc(C)c1CSCC(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC001443633183 1066340699 /nfs/dbraw/zinc/34/06/99/1066340699.db2.gz MPTHQYHUSJGLDK-UHFFFAOYSA-N 1 2 450.967 4.633 20 0 JJADLO Cn1nc(-c2ccccc2)cc1C(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC001443635289 1066341390 /nfs/dbraw/zinc/34/13/90/1066341390.db2.gz USDPMQIKQGKDDK-UHFFFAOYSA-N 1 2 451.933 4.809 20 0 JJADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3c(C)cc(Br)cc3Cl)CC2)c1 ZINC001443738514 1066361431 /nfs/dbraw/zinc/36/14/31/1066361431.db2.gz XQTCTLCCLPFNHC-OAHLLOKOSA-N 1 2 451.792 4.939 20 0 JJADLO C[C@@H]1CCN(C(=O)C[N@H+](CCNC(=O)OC(C)(C)C)Cc2ccccc2)[C@@H](c2ccco2)C1 ZINC001361114849 1066365936 /nfs/dbraw/zinc/36/59/36/1066365936.db2.gz SNAVBLGAWBMMFL-IFMALSPDSA-N 1 2 455.599 4.606 20 0 JJADLO C[C@@H]1CCN(C(=O)C[N@@H+](CCNC(=O)OC(C)(C)C)Cc2ccccc2)[C@@H](c2ccco2)C1 ZINC001361114849 1066365956 /nfs/dbraw/zinc/36/59/56/1066365956.db2.gz SNAVBLGAWBMMFL-IFMALSPDSA-N 1 2 455.599 4.606 20 0 JJADLO C[C@@H]1CCN(C(=O)C[N@H+](CCNC(=O)OC(C)(C)C)Cc2ccccc2)[C@H](c2ccco2)C1 ZINC001361114850 1066366029 /nfs/dbraw/zinc/36/60/29/1066366029.db2.gz SNAVBLGAWBMMFL-IRLDBZIGSA-N 1 2 455.599 4.606 20 0 JJADLO C[C@@H]1CCN(C(=O)C[N@@H+](CCNC(=O)OC(C)(C)C)Cc2ccccc2)[C@H](c2ccco2)C1 ZINC001361114850 1066366045 /nfs/dbraw/zinc/36/60/45/1066366045.db2.gz SNAVBLGAWBMMFL-IRLDBZIGSA-N 1 2 455.599 4.606 20 0 JJADLO CCOC(=O)COc1ccc(OC(=O)[C@H](c2cccc(C(F)(F)F)c2)[NH+](CC)CC)cc1 ZINC001361121236 1066371319 /nfs/dbraw/zinc/37/13/19/1066371319.db2.gz CJUIUEBLGDEALH-NRFANRHFSA-N 1 2 453.457 4.636 20 0 JJADLO CC(C)(C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)c1cccc(C(F)(F)F)n1 ZINC001443873640 1066379468 /nfs/dbraw/zinc/37/94/68/1066379468.db2.gz AFGBBDZDBLFMKY-INIZCTEOSA-N 1 2 457.899 4.951 20 0 JJADLO CC(C)(C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)c1cccc(C(F)(F)F)n1 ZINC001443873640 1066379478 /nfs/dbraw/zinc/37/94/78/1066379478.db2.gz AFGBBDZDBLFMKY-INIZCTEOSA-N 1 2 457.899 4.951 20 0 JJADLO CCN(CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)Cc1ccccc1Cl ZINC001443896485 1066382704 /nfs/dbraw/zinc/38/27/04/1066382704.db2.gz SZCOUYUPJIBBIQ-HXUWFJFHSA-N 1 2 452.401 4.735 20 0 JJADLO CCN(CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)Cc1ccccc1Cl ZINC001443896485 1066382714 /nfs/dbraw/zinc/38/27/14/1066382714.db2.gz SZCOUYUPJIBBIQ-HXUWFJFHSA-N 1 2 452.401 4.735 20 0 JJADLO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@H](CC(C)C)C3)n2C[C@H](C)[NH+]2CCOCC2)c1 ZINC001361126243 1066383208 /nfs/dbraw/zinc/38/32/08/1066383208.db2.gz OZILTCXQUJJYFJ-BJKOFHAPSA-N 1 2 483.701 4.882 20 0 JJADLO CC(C)n1cnc2ccc(CNC(=O)[C@H](c3cccc(Br)c3)[NH+]3CCCC3)cc21 ZINC001455393377 1066385965 /nfs/dbraw/zinc/38/59/65/1066385965.db2.gz GTJBMIHNRGSVJH-QFIPXVFZSA-N 1 2 455.400 4.833 20 0 JJADLO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@@H]3C(C)C)n2CC[N@@H+]2CCN(C)C(C)(C)C2)c1 ZINC001361128529 1066392505 /nfs/dbraw/zinc/39/25/05/1066392505.db2.gz YNSXEDDQONGZOD-RUZDIDTESA-N 1 2 496.744 4.940 20 0 JJADLO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@@H]3C(C)C)n2CC[N@H+]2CCN(C)C(C)(C)C2)c1 ZINC001361128529 1066392519 /nfs/dbraw/zinc/39/25/19/1066392519.db2.gz YNSXEDDQONGZOD-RUZDIDTESA-N 1 2 496.744 4.940 20 0 JJADLO CC(C)(C)OC(=O)N[C@@H](CC(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1)C(C)(C)C ZINC001455508012 1066400261 /nfs/dbraw/zinc/40/02/61/1066400261.db2.gz HXVSIELGMYEDJD-NRFANRHFSA-N 1 2 454.615 4.534 20 0 JJADLO Cc1ccc([C@H](Cn2c(C(C)C)nnc2N2CC=C(C(C)(C)C)CC2)[NH+]2CCOCC2)cc1 ZINC001361135161 1066408603 /nfs/dbraw/zinc/40/86/03/1066408603.db2.gz KIZPQAMSAFTHBF-DEOSSOPVSA-N 1 2 451.659 4.966 20 0 JJADLO CC(C)c1ccc(C(=O)NCc2ccc(C[NH+]3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1 ZINC001455645675 1066418151 /nfs/dbraw/zinc/41/81/51/1066418151.db2.gz LYDISLPIZPBVER-UHFFFAOYSA-N 1 2 451.611 4.793 20 0 JJADLO CC[N@H+](CC(=O)N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1)Cc1ccccc1Cl ZINC001444164609 1066423509 /nfs/dbraw/zinc/42/35/09/1066423509.db2.gz ATRFSZHMJCCBQU-GOSISDBHSA-N 1 2 450.970 4.687 20 0 JJADLO CC[N@@H+](CC(=O)N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1)Cc1ccccc1Cl ZINC001444164609 1066423523 /nfs/dbraw/zinc/42/35/23/1066423523.db2.gz ATRFSZHMJCCBQU-GOSISDBHSA-N 1 2 450.970 4.687 20 0 JJADLO Cc1ccc(C)c(OCc2nnc(N3CC[C@H](C)C(C)(C)C3)n2Cc2ccc(N(C)C)[nH+]c2)c1 ZINC001361153008 1066447988 /nfs/dbraw/zinc/44/79/88/1066447988.db2.gz UGDACDUAJSNZFW-NRFANRHFSA-N 1 2 462.642 4.856 20 0 JJADLO CCN(C(=O)c1ccc(Cl)c(Cl)c1N)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001444475661 1066464524 /nfs/dbraw/zinc/46/45/24/1066464524.db2.gz IUWRLPZBMMNVMG-UHFFFAOYSA-N 1 2 450.414 4.929 20 0 JJADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CCc1ncc(-c2ccc(F)cc2F)o1 ZINC001361161185 1066467161 /nfs/dbraw/zinc/46/71/61/1066467161.db2.gz HTEUEUGXNRCVDD-UHFFFAOYSA-N 1 2 454.521 4.713 20 0 JJADLO Cc1nc(NCc2cccc(C(=O)N3CCC([C@@H](O)c4ccc(Cl)cc4)CC3)c2)cc[nH+]1 ZINC001444569501 1066477692 /nfs/dbraw/zinc/47/76/92/1066477692.db2.gz RSOKJHMCLJKEDQ-DEOSSOPVSA-N 1 2 450.970 4.636 20 0 JJADLO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC001361173086 1066490750 /nfs/dbraw/zinc/49/07/50/1066490750.db2.gz NCZPSBSCBAFIOA-ZWKOTPCHSA-N 1 2 451.394 4.510 20 0 JJADLO Cc1ccc(NC(=O)C2(CNC(=O)c3ccc(NCCn4cc[nH+]c4)cc3)CCCC2)cc1C ZINC001444955129 1066522458 /nfs/dbraw/zinc/52/24/58/1066522458.db2.gz LJKSCPQMFHQVDH-UHFFFAOYSA-N 1 2 459.594 4.541 20 0 JJADLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)NCc2c(Cl)cc(Br)cc2Cl)cc1 ZINC001456196951 1066534736 /nfs/dbraw/zinc/53/47/36/1066534736.db2.gz OSYRHGPNMVXDGU-GOSISDBHSA-N 1 2 458.183 4.655 20 0 JJADLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)NCc2c(Cl)cc(Br)cc2Cl)cc1 ZINC001456196951 1066534740 /nfs/dbraw/zinc/53/47/40/1066534740.db2.gz OSYRHGPNMVXDGU-GOSISDBHSA-N 1 2 458.183 4.655 20 0 JJADLO COc1cccc([C@@H](NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)c2cc(F)ccc2OC)c1 ZINC001445399660 1066567098 /nfs/dbraw/zinc/56/70/98/1066567098.db2.gz YWJMFOHNYAMIOZ-BKMJKUGQSA-N 1 2 459.521 4.994 20 0 JJADLO COc1cccc([C@H](NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)c2cc(F)ccc2OC)c1 ZINC001445399667 1066567126 /nfs/dbraw/zinc/56/71/26/1066567126.db2.gz YWJMFOHNYAMIOZ-GJZUVCINSA-N 1 2 459.521 4.994 20 0 JJADLO O=C(COc1ccc(C(=O)Nc2cccc3[nH+]ccn32)cc1)Nc1cccc(C(F)(F)F)c1 ZINC001456369503 1066572442 /nfs/dbraw/zinc/57/24/42/1066572442.db2.gz FAUVIORJFGLKNM-UHFFFAOYSA-N 1 2 454.408 4.623 20 0 JJADLO Cc1ccc(CCn2c(C(C)C)nnc2N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)cc1 ZINC001361240919 1066582727 /nfs/dbraw/zinc/58/27/27/1066582727.db2.gz YKQNIXDVKOSVEX-JOCHJYFZSA-N 1 2 453.656 4.524 20 0 JJADLO Cc1ccc(CCn2c(CC(C)(C)C)nnc2N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)cc1 ZINC001361243220 1066584580 /nfs/dbraw/zinc/58/45/80/1066584580.db2.gz KGZPEJFMUQTWLN-HSZRJFAPSA-N 1 2 481.710 4.989 20 0 JJADLO Cc1ccc(CN(C)c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@H](C)[NH+]2CCOCC2)s1 ZINC001361247802 1066590507 /nfs/dbraw/zinc/59/05/07/1066590507.db2.gz BGAXWZLFUKQKOV-IEBWSBKVSA-N 1 2 490.073 4.799 20 0 JJADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001456490076 1066597511 /nfs/dbraw/zinc/59/75/11/1066597511.db2.gz JVECHOUVNSHDNB-UHFFFAOYSA-N 1 2 456.493 4.555 20 0 JJADLO Cc1ccc(CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)o1 ZINC001361255347 1066602954 /nfs/dbraw/zinc/60/29/54/1066602954.db2.gz VPHWCRCYILKUEZ-SFTDATJTSA-N 1 2 459.541 4.639 20 0 JJADLO CC(C)(C)OC(=O)NCCCSCCC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC001446271821 1066682497 /nfs/dbraw/zinc/68/24/97/1066682497.db2.gz HEBKWQIQUMRHJJ-UHFFFAOYSA-N 1 2 456.612 4.578 20 0 JJADLO CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC001446295474 1066686821 /nfs/dbraw/zinc/68/68/21/1066686821.db2.gz VZHCDYCAFQDONE-JOCHJYFZSA-N 1 2 457.018 4.576 20 0 JJADLO Cc1cn2c([nH+]1)[C@H](Cn1c(CC(C)(C)C)nnc1N(C)CCCOc1ccc(F)cc1)CCC2 ZINC001492628291 1066699377 /nfs/dbraw/zinc/69/93/77/1066699377.db2.gz CKKMGVKWTBVBTQ-FQEVSTJZSA-N 1 2 468.621 4.994 20 0 JJADLO Cc1cn2c([nH+]1)[C@H](Cn1c(-c3cccc(Br)c3)nnc1N(C)CC(C)C)CCC2 ZINC001492629333 1066700733 /nfs/dbraw/zinc/70/07/33/1066700733.db2.gz ZNMLOWIKCOCMIO-SFHVURJKSA-N 1 2 457.420 4.882 20 0 JJADLO Cc1cn2c([nH+]1)[C@@H](Cn1c(CC(C)C)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1)CCC2 ZINC001492628839 1066700753 /nfs/dbraw/zinc/70/07/53/1066700753.db2.gz NZDGAFGKQPNZGV-RBBKRZOGSA-N 1 2 499.704 4.689 20 0 JJADLO Cc1coc(C)c1Cn1c(CC(C)(C)C)nnc1N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC001492635078 1066718292 /nfs/dbraw/zinc/71/82/92/1066718292.db2.gz GVXPOVODMRICGT-NRFANRHFSA-N 1 2 471.671 4.696 20 0 JJADLO Cc1nc(SC(F)(F)F)sc1CC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC001446588801 1066724575 /nfs/dbraw/zinc/72/45/75/1066724575.db2.gz UULKMNRLXXCDPI-INIZCTEOSA-N 1 2 454.543 4.977 20 0 JJADLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(-c2cccc(Cl)c2)n[nH]1 ZINC001545991706 1066766485 /nfs/dbraw/zinc/76/64/85/1066766485.db2.gz XJXASUSSLJPGFM-MZNJEOGPSA-N 1 2 452.002 4.806 20 0 JJADLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(-c2cccc(Cl)c2)n[nH]1 ZINC001545991706 1066766496 /nfs/dbraw/zinc/76/64/96/1066766496.db2.gz XJXASUSSLJPGFM-MZNJEOGPSA-N 1 2 452.002 4.806 20 0 JJADLO Cc1sc(Br)c(C(=O)NCCc2cn(Cc3ccc(Cl)cc3)c[nH+]2)c1C ZINC001457264073 1066798669 /nfs/dbraw/zinc/79/86/69/1066798669.db2.gz DJRYCBZPBNKESS-UHFFFAOYSA-N 1 2 452.805 4.998 20 0 JJADLO Cc1nc(Cc2nnc(N(CC(C)C)C(C)C)n2C[C@@H](c2ccccc2)[NH+]2CCOCC2)cs1 ZINC001492669912 1066799125 /nfs/dbraw/zinc/79/91/25/1066799125.db2.gz LBJFUVUVJCPIDG-DEOSSOPVSA-N 1 2 482.698 4.578 20 0 JJADLO CCc1sc(C(=O)NCCc2cn(Cc3ccc(Cl)cc3)c[nH+]2)cc1Br ZINC001457270780 1066801282 /nfs/dbraw/zinc/80/12/82/1066801282.db2.gz YFKNXQDOKFXKIU-UHFFFAOYSA-N 1 2 452.805 4.944 20 0 JJADLO O=C(NCCc1cn(Cc2ccc(Cl)cc2)c[nH+]1)c1csc(Cc2ccc(F)cc2)n1 ZINC001457364377 1066817045 /nfs/dbraw/zinc/81/70/45/1066817045.db2.gz OAQQHECQOPRSAY-UHFFFAOYSA-N 1 2 454.958 4.744 20 0 JJADLO Cc1ncc(CN(C)c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2Cc2ccc(N(C)C)[nH+]c2)s1 ZINC001492695887 1066844215 /nfs/dbraw/zinc/84/42/15/1066844215.db2.gz CMABPOPBQZLNDC-MRXNPFEDSA-N 1 2 498.056 4.982 20 0 JJADLO O=C(NC1CCCCC1)c1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)cc1O ZINC001447787969 1066856996 /nfs/dbraw/zinc/85/69/96/1066856996.db2.gz YENBYXVHSAMKFB-QHCPKHFHSA-N 1 2 453.558 4.587 20 0 JJADLO O=C(NC1CCCCC1)c1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)cc1O ZINC001447787969 1066857008 /nfs/dbraw/zinc/85/70/08/1066857008.db2.gz YENBYXVHSAMKFB-QHCPKHFHSA-N 1 2 453.558 4.587 20 0 JJADLO Cc1ncc(C[NH+]2CCN(c3nnc(CC(C)(C)C)n3CCO[C@H]3CCCC[C@@H]3C)CC2)s1 ZINC001492701717 1066858517 /nfs/dbraw/zinc/85/85/17/1066858517.db2.gz CZGHEPWTKCUFDT-UGKGYDQZSA-N 1 2 474.719 4.549 20 0 JJADLO Cc1ncc(C[NH+]2CCN(c3nnc(CC(C)C)n3Cc3cscc3C(F)(F)F)CC2)s1 ZINC001492703465 1066861790 /nfs/dbraw/zinc/86/17/90/1066861790.db2.gz RBCCHMDGHFNNNC-UHFFFAOYSA-N 1 2 484.617 4.692 20 0 JJADLO Cc1ccc(I)cc1NC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001447863757 1066871558 /nfs/dbraw/zinc/87/15/58/1066871558.db2.gz FYJCRJFQOXCDAA-IBGZPJMESA-N 1 2 452.311 4.732 20 0 JJADLO Cc1ccc(I)cc1NC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001447863757 1066871570 /nfs/dbraw/zinc/87/15/70/1066871570.db2.gz FYJCRJFQOXCDAA-IBGZPJMESA-N 1 2 452.311 4.732 20 0 JJADLO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1sc2cccc(F)c2c1Cl ZINC001457584344 1066871559 /nfs/dbraw/zinc/87/15/59/1066871559.db2.gz PERXGVDDUOAYTA-UHFFFAOYSA-N 1 2 452.382 4.899 20 0 JJADLO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1cc(OCc2ccccc2)cs1 ZINC001457585842 1066872232 /nfs/dbraw/zinc/87/22/32/1066872232.db2.gz UTBVLNRYDMSUQW-UHFFFAOYSA-N 1 2 456.011 4.533 20 0 JJADLO C[C@H](NC(=O)[C@@H]1[C@@H]2CCCC[C@H]2CCN1C(=O)OC(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC001457724718 1066905273 /nfs/dbraw/zinc/90/52/73/1066905273.db2.gz KVOAKENOZOZOKV-MHADKKCISA-N 1 2 452.599 4.865 20 0 JJADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)[C@@H](C)C1 ZINC001448233369 1066912659 /nfs/dbraw/zinc/91/26/59/1066912659.db2.gz BIXASKHHIXAIAS-KKSFZXQISA-N 1 2 451.394 4.549 20 0 JJADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)[C@@H](C)C1 ZINC001448233369 1066912666 /nfs/dbraw/zinc/91/26/66/1066912666.db2.gz BIXASKHHIXAIAS-KKSFZXQISA-N 1 2 451.394 4.549 20 0 JJADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)[C@@H](C)C1 ZINC001448233366 1066912816 /nfs/dbraw/zinc/91/28/16/1066912816.db2.gz BIXASKHHIXAIAS-HRAATJIYSA-N 1 2 451.394 4.549 20 0 JJADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)[C@@H](C)C1 ZINC001448233366 1066912825 /nfs/dbraw/zinc/91/28/25/1066912825.db2.gz BIXASKHHIXAIAS-HRAATJIYSA-N 1 2 451.394 4.549 20 0 JJADLO C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC001448589511 1066940753 /nfs/dbraw/zinc/94/07/53/1066940753.db2.gz NUXRJPSHCRHZRP-MRXNPFEDSA-N 1 2 452.555 4.724 20 0 JJADLO Cc1nnc(N2CCC(OC3CCC(C)CC3)CC2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001492821322 1066954876 /nfs/dbraw/zinc/95/48/76/1066954876.db2.gz QUYUMQVRGMLZHM-WFHLNLCJSA-N 1 2 461.601 4.732 20 0 JJADLO COc1cc(C(F)(F)F)nc(Sc2nnc([C@H](C)[NH+](C)C)n2-c2ccc(Cl)cc2)n1 ZINC001458079479 1066969255 /nfs/dbraw/zinc/96/92/55/1066969255.db2.gz RXVOLPAAVWIZET-JTQLQIEISA-N 1 2 458.897 4.512 20 0 JJADLO CCn1c(CNC(=O)[C@H]2CC[C@@H](Nc3cccc[nH+]3)CC2)nc2cc(Br)ccc21 ZINC001449051205 1066980032 /nfs/dbraw/zinc/98/00/32/1066980032.db2.gz UOBQOILPGAMDCA-WOVMCDHWSA-N 1 2 456.388 4.501 20 0 JJADLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(OCc2ccccc2)nc1 ZINC001458153640 1066989690 /nfs/dbraw/zinc/98/96/90/1066989690.db2.gz KCAUBXKQVHGFPI-LVXARBLLSA-N 1 2 458.606 4.737 20 0 JJADLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(OCc2ccccc2)nc1 ZINC001458153640 1066989700 /nfs/dbraw/zinc/98/97/00/1066989700.db2.gz KCAUBXKQVHGFPI-LVXARBLLSA-N 1 2 458.606 4.737 20 0 JJADLO CC[C@@H](c1nnc(N2C[C@@H](C)O[C@H](C)C2)n1Cc1ccc(N(CC)CC)[nH+]c1)c1ccccc1 ZINC001545731287 1066990561 /nfs/dbraw/zinc/99/05/61/1066990561.db2.gz MISHDJMRBZXXCR-PQNGQFLHSA-N 1 2 462.642 4.723 20 0 JJADLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)COc1ccc(Cl)c(Cl)c1 ZINC001458155856 1066991420 /nfs/dbraw/zinc/99/14/20/1066991420.db2.gz SNRPEUAUWXIQAA-KSFYIVLOSA-N 1 2 450.410 4.835 20 0 JJADLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)COc1ccc(Cl)c(Cl)c1 ZINC001458155856 1066991430 /nfs/dbraw/zinc/99/14/30/1066991430.db2.gz SNRPEUAUWXIQAA-KSFYIVLOSA-N 1 2 450.410 4.835 20 0 JJADLO CC[N@@H+]1CCN(C(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4Cl)c3s2)[C@@H](C)C1 ZINC001449337109 1067001588 /nfs/dbraw/zinc/00/15/88/1067001588.db2.gz QRICMWXWKSPZSC-ZDUSSCGKSA-N 1 2 451.423 4.928 20 0 JJADLO CC[N@H+]1CCN(C(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4Cl)c3s2)[C@@H](C)C1 ZINC001449337109 1067001598 /nfs/dbraw/zinc/00/15/98/1067001598.db2.gz QRICMWXWKSPZSC-ZDUSSCGKSA-N 1 2 451.423 4.928 20 0 JJADLO O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)c1ccn(CCc2ccccc2)n1 ZINC001458255357 1067013579 /nfs/dbraw/zinc/01/35/79/1067013579.db2.gz DSBNFCAAJGFALR-UHFFFAOYSA-N 1 2 457.405 4.827 20 0 JJADLO C[Si](C)(C)c1ccc(CNc2[nH+]cnc3c2cnn3-c2cccc(Br)c2)cc1 ZINC001458333815 1067033297 /nfs/dbraw/zinc/03/32/97/1067033297.db2.gz FEKGSMMELSRLMB-UHFFFAOYSA-N 1 2 452.432 4.735 20 0 JJADLO CC(C)c1cc(N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)nc(C(C)C)[nH+]1 ZINC001458334650 1067033332 /nfs/dbraw/zinc/03/33/32/1067033332.db2.gz VTAQKYJEOHUMLI-UHFFFAOYSA-N 1 2 451.398 4.758 20 0 JJADLO Cc1nc(NCc2cccc(C(=O)N3CC[C@@H](c4cccc(Br)c4)C3)c2)cc[nH+]1 ZINC001449876498 1067033527 /nfs/dbraw/zinc/03/35/27/1067033527.db2.gz HXBZYHXPOPDFLF-HXUWFJFHSA-N 1 2 451.368 4.789 20 0 JJADLO CC[C@@H](c1nnc(N2CC[NH+](Cc3cc(C)no3)CC2)n1CCCC(C)C)c1ccccc1 ZINC001545758535 1067038329 /nfs/dbraw/zinc/03/83/29/1067038329.db2.gz IVJMRLKRISWUOV-XMMPIXPASA-N 1 2 450.631 4.875 20 0 JJADLO CCC(CC)[C@@H](C(=O)Nc1nc2ccc(Cl)cc2n1Cc1ccccc1)[NH+]1CCOCC1 ZINC001450259724 1067065809 /nfs/dbraw/zinc/06/58/09/1067065809.db2.gz QXYYLTIGQLTWTH-QHCPKHFHSA-N 1 2 455.002 4.814 20 0 JJADLO Cc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)cc1Oc1ccncc1 ZINC001458451323 1067065949 /nfs/dbraw/zinc/06/59/49/1067065949.db2.gz GSWMWMKQDZJEPL-ZEQRLZLVSA-N 1 2 451.954 4.637 20 0 JJADLO Cc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)cc1Oc1ccncc1 ZINC001458451323 1067065961 /nfs/dbraw/zinc/06/59/61/1067065961.db2.gz GSWMWMKQDZJEPL-ZEQRLZLVSA-N 1 2 451.954 4.637 20 0 JJADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)c2ccc(Br)c(Cl)c2)c2ccc(Cl)cc2)C1 ZINC001458457565 1067067866 /nfs/dbraw/zinc/06/78/66/1067067866.db2.gz WLWOTACSMLGOEF-ZWKOTPCHSA-N 1 2 458.183 4.558 20 0 JJADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)c2ccc(Br)c(Cl)c2)c2ccc(Cl)cc2)C1 ZINC001458457565 1067067880 /nfs/dbraw/zinc/06/78/80/1067067880.db2.gz WLWOTACSMLGOEF-ZWKOTPCHSA-N 1 2 458.183 4.558 20 0 JJADLO CC(C)C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1cccc(NC(=O)N(C)C)c1 ZINC001450299672 1067070219 /nfs/dbraw/zinc/07/02/19/1067070219.db2.gz SNAJUHKFRMJRPN-HSZRJFAPSA-N 1 2 457.018 4.806 20 0 JJADLO CC(C)C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1cccc(NC(=O)N(C)C)c1 ZINC001450299672 1067070232 /nfs/dbraw/zinc/07/02/32/1067070232.db2.gz SNAJUHKFRMJRPN-HSZRJFAPSA-N 1 2 457.018 4.806 20 0 JJADLO CCOc1cc(Br)c(F)cc1NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC001450674375 1067102032 /nfs/dbraw/zinc/10/20/32/1067102032.db2.gz RWOJAJRJJUFDAA-UHFFFAOYSA-N 1 2 452.349 4.815 20 0 JJADLO Cc1cc(CSc2nnc(C[NH+]3CCCC3)n2Cc2ccccc2)cnc1Br ZINC001458753272 1067132154 /nfs/dbraw/zinc/13/21/54/1067132154.db2.gz RHXGAHGJCCLGEO-UHFFFAOYSA-N 1 2 458.429 4.680 20 0 JJADLO Cc1cc(Br)cn2cc(CCNC(=O)c3csc(-c4ccc(F)cc4)n3)[nH+]c12 ZINC001458815452 1067153562 /nfs/dbraw/zinc/15/35/62/1067153562.db2.gz QUZGJHXOYKRZNZ-UHFFFAOYSA-N 1 2 459.344 4.640 20 0 JJADLO CC[NH+](CC)Cc1csc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(Cl)c2)n1 ZINC001452541604 1067233177 /nfs/dbraw/zinc/23/31/77/1067233177.db2.gz DLAVKDDZXFRBPT-KRWDZBQOSA-N 1 2 453.008 4.843 20 0 JJADLO C[NH+]1CCN(c2ccc(NC(=O)CSc3ccccc3Cl)cc2Br)CC1 ZINC001459040838 1067236879 /nfs/dbraw/zinc/23/68/79/1067236879.db2.gz APDTTYZIXCHVSR-UHFFFAOYSA-N 1 2 454.821 4.585 20 0 JJADLO CC(C)CCNC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC001459338265 1067298320 /nfs/dbraw/zinc/29/83/20/1067298320.db2.gz OODHFBZIEXGIRH-NRFANRHFSA-N 1 2 454.442 4.531 20 0 JJADLO CC(C)CCNC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC001459338265 1067298327 /nfs/dbraw/zinc/29/83/27/1067298327.db2.gz OODHFBZIEXGIRH-NRFANRHFSA-N 1 2 454.442 4.531 20 0 JJADLO Cc1ccc(NC(=O)NC(=O)C[N@H+](Cc2cc(Br)ccc2F)C(C)C)c(C)c1 ZINC001459372861 1067306128 /nfs/dbraw/zinc/30/61/28/1067306128.db2.gz FQEAACUFIRQTBW-UHFFFAOYSA-N 1 2 450.352 4.764 20 0 JJADLO Cc1ccc(NC(=O)NC(=O)C[N@@H+](Cc2cc(Br)ccc2F)C(C)C)c(C)c1 ZINC001459372861 1067306137 /nfs/dbraw/zinc/30/61/37/1067306137.db2.gz FQEAACUFIRQTBW-UHFFFAOYSA-N 1 2 450.352 4.764 20 0 JJADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2ccnc(-c3ccc(Cl)cc3)n2)[C@@H](C)C1 ZINC001459412340 1067316653 /nfs/dbraw/zinc/31/66/53/1067316653.db2.gz LDIRVLDQCCMLIZ-SFHVURJKSA-N 1 2 450.970 4.542 20 0 JJADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2ccnc(-c3ccc(Cl)cc3)n2)[C@@H](C)C1 ZINC001459412340 1067316666 /nfs/dbraw/zinc/31/66/66/1067316666.db2.gz LDIRVLDQCCMLIZ-SFHVURJKSA-N 1 2 450.970 4.542 20 0 JJADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)COC(c2ccccc2)c2ccccc2)[C@H](C)C1 ZINC001459419341 1067320072 /nfs/dbraw/zinc/32/00/72/1067320072.db2.gz QYSCISWJTDSPNT-HSZRJFAPSA-N 1 2 458.602 4.924 20 0 JJADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)COC(c2ccccc2)c2ccccc2)[C@H](C)C1 ZINC001459419341 1067320086 /nfs/dbraw/zinc/32/00/86/1067320086.db2.gz QYSCISWJTDSPNT-HSZRJFAPSA-N 1 2 458.602 4.924 20 0 JJADLO CC[N@H+](CC(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1)Cc1ccc(OC)cc1OC ZINC001459455024 1067327622 /nfs/dbraw/zinc/32/76/22/1067327622.db2.gz OYOCKSJIQSJANG-HHHXNRCGSA-N 1 2 450.554 4.913 20 0 JJADLO CC[N@@H+](CC(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1)Cc1ccc(OC)cc1OC ZINC001459455024 1067327641 /nfs/dbraw/zinc/32/76/41/1067327641.db2.gz OYOCKSJIQSJANG-HHHXNRCGSA-N 1 2 450.554 4.913 20 0 JJADLO CC[C@]1(C)CC[C@@H](Cn2c(CC(C)C)nnc2N2CC[NH+](Cc3cccc(Cl)c3)CC2)O1 ZINC001546055347 1067332007 /nfs/dbraw/zinc/33/20/07/1067332007.db2.gz ZTCDYSYSHISDGS-WIOPSUGQSA-N 1 2 460.066 4.800 20 0 JJADLO CC[C@@]1(C)CC[C@H](Cn2c(CC(C)C)nnc2N2CC[NH+](Cc3cccc(Cl)c3)CC2)O1 ZINC001546055346 1067332100 /nfs/dbraw/zinc/33/21/00/1067332100.db2.gz ZTCDYSYSHISDGS-RDGATRHJSA-N 1 2 460.066 4.800 20 0 JJADLO CCc1ccccc1O[C@H](C)C(=O)N1CC[NH+](CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC001459485526 1067336537 /nfs/dbraw/zinc/33/65/37/1067336537.db2.gz MDQUDNVLSLSNQD-QGZVFWFLSA-N 1 2 451.394 4.546 20 0 JJADLO C[C@@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC001459501137 1067339822 /nfs/dbraw/zinc/33/98/22/1067339822.db2.gz GUWOFVOBCNQMIH-INIZCTEOSA-N 1 2 450.489 4.994 20 0 JJADLO C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC001459501137 1067339832 /nfs/dbraw/zinc/33/98/32/1067339832.db2.gz GUWOFVOBCNQMIH-INIZCTEOSA-N 1 2 450.489 4.994 20 0 JJADLO COC(=O)c1cc(Br)c(C[N@@H+]2CCSC[C@H]2c2ccc(C)cc2)cc1OC ZINC001459552455 1067349431 /nfs/dbraw/zinc/34/94/31/1067349431.db2.gz DTZPGYMOJOOTOG-IBGZPJMESA-N 1 2 450.398 4.843 20 0 JJADLO COC(=O)c1cc(Br)c(C[N@H+]2CCSC[C@H]2c2ccc(C)cc2)cc1OC ZINC001459552455 1067349442 /nfs/dbraw/zinc/34/94/42/1067349442.db2.gz DTZPGYMOJOOTOG-IBGZPJMESA-N 1 2 450.398 4.843 20 0 JJADLO COC(=O)c1c(C)[nH]c(C(=O)C[N@H+](C)[C@H]2CCSc3ccc(Br)cc32)c1C ZINC001459575246 1067355679 /nfs/dbraw/zinc/35/56/79/1067355679.db2.gz AIOJKDXKNIZWJG-HNNXBMFYSA-N 1 2 451.386 4.532 20 0 JJADLO COC(=O)c1c(C)[nH]c(C(=O)C[N@@H+](C)[C@H]2CCSc3ccc(Br)cc32)c1C ZINC001459575246 1067355694 /nfs/dbraw/zinc/35/56/94/1067355694.db2.gz AIOJKDXKNIZWJG-HNNXBMFYSA-N 1 2 451.386 4.532 20 0 JJADLO O=C(Nc1ccc(F)cc1)N[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC001459662277 1067374872 /nfs/dbraw/zinc/37/48/72/1067374872.db2.gz DLKNKQGAPOGGOO-OAHLLOKOSA-N 1 2 450.301 4.579 20 0 JJADLO O=C(Nc1ccc(F)cc1)N[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC001459662277 1067374881 /nfs/dbraw/zinc/37/48/81/1067374881.db2.gz DLKNKQGAPOGGOO-OAHLLOKOSA-N 1 2 450.301 4.579 20 0 JJADLO O=C(C[NH+]1CCC(N2CCCCC2=O)CC1)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC001459674684 1067380429 /nfs/dbraw/zinc/38/04/29/1067380429.db2.gz XYYNVTQLZJEQSD-UHFFFAOYSA-N 1 2 458.027 4.907 20 0 JJADLO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1-n1cncn1 ZINC001459689838 1067384544 /nfs/dbraw/zinc/38/45/44/1067384544.db2.gz MELJDYMCYZFUPJ-SFHVURJKSA-N 1 2 450.757 4.831 20 0 JJADLO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1-n1cncn1 ZINC001459689838 1067384552 /nfs/dbraw/zinc/38/45/52/1067384552.db2.gz MELJDYMCYZFUPJ-SFHVURJKSA-N 1 2 450.757 4.831 20 0 JJADLO O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1-n1cncn1 ZINC001459689837 1067384663 /nfs/dbraw/zinc/38/46/63/1067384663.db2.gz MELJDYMCYZFUPJ-GOSISDBHSA-N 1 2 450.757 4.831 20 0 JJADLO O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1-n1cncn1 ZINC001459689837 1067384674 /nfs/dbraw/zinc/38/46/74/1067384674.db2.gz MELJDYMCYZFUPJ-GOSISDBHSA-N 1 2 450.757 4.831 20 0 JJADLO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+](CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC001459713925 1067392677 /nfs/dbraw/zinc/39/26/77/1067392677.db2.gz BDYYUIHBSMYOQS-UHFFFAOYSA-N 1 2 454.373 4.830 20 0 JJADLO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+](CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC001459713925 1067392687 /nfs/dbraw/zinc/39/26/87/1067392687.db2.gz BDYYUIHBSMYOQS-UHFFFAOYSA-N 1 2 454.373 4.830 20 0 JJADLO C[C@@H](c1noc(-c2ccccc2)n1)[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC001459751568 1067406264 /nfs/dbraw/zinc/40/62/64/1067406264.db2.gz DLLRGBJPAYHQAM-HNNXBMFYSA-N 1 2 455.356 4.911 20 0 JJADLO C[N@H+](CCOCc1ccccc1)CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC001459769963 1067415048 /nfs/dbraw/zinc/41/50/48/1067415048.db2.gz PXLHIHMBSUIQDA-QHCPKHFHSA-N 1 2 451.954 4.759 20 0 JJADLO C[N@@H+](CCOCc1ccccc1)CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC001459769963 1067415052 /nfs/dbraw/zinc/41/50/52/1067415052.db2.gz PXLHIHMBSUIQDA-QHCPKHFHSA-N 1 2 451.954 4.759 20 0 JJADLO Cc1cc(I)ccc1NC(=O)C[N@@H+]1[C@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC001459774681 1067416750 /nfs/dbraw/zinc/41/67/50/1067416750.db2.gz JUKLTIHLQXEFRB-KGLIPLIRSA-N 1 2 452.311 4.685 20 0 JJADLO Cc1cc(I)ccc1NC(=O)C[N@H+]1[C@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC001459774681 1067416753 /nfs/dbraw/zinc/41/67/53/1067416753.db2.gz JUKLTIHLQXEFRB-KGLIPLIRSA-N 1 2 452.311 4.685 20 0 JJADLO CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)C[NH+]1CCC(CC)(CO)CC1 ZINC001459780268 1067418314 /nfs/dbraw/zinc/41/83/14/1067418314.db2.gz XOKRSSXADCIZHG-UHFFFAOYSA-N 1 2 458.624 4.632 20 0 JJADLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1CC(=O)N(CC)[C@@H](C)c1ccc(F)cc1 ZINC001459792852 1067425555 /nfs/dbraw/zinc/42/55/55/1067425555.db2.gz WDKWFECZMOBFBV-WDZJFXIESA-N 1 2 454.634 4.671 20 0 JJADLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1CC(=O)N(CC)[C@@H](C)c1ccc(F)cc1 ZINC001459792852 1067425559 /nfs/dbraw/zinc/42/55/59/1067425559.db2.gz WDKWFECZMOBFBV-WDZJFXIESA-N 1 2 454.634 4.671 20 0 JJADLO C[C@@H](NC(=O)[C@H](C)[NH+]1CCN(c2ccc(C(F)(F)F)cc2)CC1)c1ccc2c(c1)CCCC2 ZINC001459798028 1067428286 /nfs/dbraw/zinc/42/82/86/1067428286.db2.gz RWHOGYUKCUOBAZ-MOPGFXCFSA-N 1 2 459.556 4.972 20 0 JJADLO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(C(F)(F)F)cc2)CC1)c1ccc2c(c1)CCCC2 ZINC001459798031 1067428296 /nfs/dbraw/zinc/42/82/96/1067428296.db2.gz RWHOGYUKCUOBAZ-RTBURBONSA-N 1 2 459.556 4.972 20 0 JJADLO CCOC(=O)C[N@H+](CCC(=O)Nc1cccc(F)c1)[C@H](C)c1cccc(Br)c1 ZINC001459800799 1067429715 /nfs/dbraw/zinc/42/97/15/1067429715.db2.gz DLCGNZRKDDSDFG-OAHLLOKOSA-N 1 2 451.336 4.543 20 0 JJADLO CCOC(=O)C[N@@H+](CCC(=O)Nc1cccc(F)c1)[C@H](C)c1cccc(Br)c1 ZINC001459800799 1067429722 /nfs/dbraw/zinc/42/97/22/1067429722.db2.gz DLCGNZRKDDSDFG-OAHLLOKOSA-N 1 2 451.336 4.543 20 0 JJADLO O=S(=O)(NC1CCCC1)[C@H]1CCC[N@@H+]([C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)C1 ZINC001459819570 1067437738 /nfs/dbraw/zinc/43/77/38/1067437738.db2.gz OBTRZXMOINBCIW-GOTSBHOMSA-N 1 2 451.007 4.895 20 0 JJADLO O=S(=O)(NC1CCCC1)[C@H]1CCC[N@H+]([C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)C1 ZINC001459819570 1067437742 /nfs/dbraw/zinc/43/77/42/1067437742.db2.gz OBTRZXMOINBCIW-GOTSBHOMSA-N 1 2 451.007 4.895 20 0 JJADLO Cc1ccc([C@H](CN2CCOCC2)[NH2+]Cc2csc(COc3ccc(Cl)cc3)n2)cc1 ZINC001459861748 1067461983 /nfs/dbraw/zinc/46/19/83/1067461983.db2.gz JUORLYSDJJYCRA-QHCPKHFHSA-N 1 2 458.027 4.847 20 0 JJADLO C[N@H+](CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)Cc1ccc(Br)c(F)c1 ZINC001459941608 1067500736 /nfs/dbraw/zinc/50/07/36/1067500736.db2.gz SUCCDPIBSGZYEC-UHFFFAOYSA-N 1 2 457.347 4.722 20 0 JJADLO C[N@@H+](CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)Cc1ccc(Br)c(F)c1 ZINC001459941608 1067500745 /nfs/dbraw/zinc/50/07/45/1067500745.db2.gz SUCCDPIBSGZYEC-UHFFFAOYSA-N 1 2 457.347 4.722 20 0 JJADLO C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[NH+]1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC001459955673 1067506474 /nfs/dbraw/zinc/50/64/74/1067506474.db2.gz IVKLDTNHLRODKA-QGZVFWFLSA-N 1 2 450.649 4.577 20 0 JJADLO Fc1ccccc1COc1ccc(C[NH+]2CCN(c3nnc(C(F)(F)F)s3)CC2)cc1 ZINC001459963889 1067509170 /nfs/dbraw/zinc/50/91/70/1067509170.db2.gz RQCCJRMOHJUWSO-UHFFFAOYSA-N 1 2 452.477 4.597 20 0 JJADLO O=C(C[NH2+][C@@H](CO)c1ccccc1OC(F)(F)F)Nc1ccc(Cl)cc1C(F)(F)F ZINC001460055203 1067540656 /nfs/dbraw/zinc/54/06/56/1067540656.db2.gz MVKHEHOHRNCDBZ-AWEZNQCLSA-N 1 2 456.770 4.519 20 0 JJADLO OC[C@@H]([NH2+]Cc1cc(Br)ccc1OC(F)F)c1ccccc1OC(F)(F)F ZINC001460057690 1067541320 /nfs/dbraw/zinc/54/13/20/1067541320.db2.gz YZFNIMLCKGEADC-CYBMUJFWSA-N 1 2 456.205 4.772 20 0 JJADLO CCc1ccc(N2CC[NH+]([C@H](C)C(=O)Nc3ccc(Br)cc3)CC2)cc1Cl ZINC001460089355 1067551460 /nfs/dbraw/zinc/55/14/60/1067551460.db2.gz LOIRKEPXNFLSLF-OAHLLOKOSA-N 1 2 450.808 4.814 20 0 JJADLO COc1cc(NC(=O)C[NH+]2CCC(F)(Cc3ccc(Cl)cc3)CC2)c(OC)cc1Cl ZINC001460123633 1067559734 /nfs/dbraw/zinc/55/97/34/1067559734.db2.gz AJEQNZAITQJVIT-UHFFFAOYSA-N 1 2 455.357 4.996 20 0 JJADLO CC(=O)N1CCC([N@H+](CC(=O)Nc2c(C(C)C)cccc2C(C)C)Cc2cncs2)CC1 ZINC001460144270 1067563913 /nfs/dbraw/zinc/56/39/13/1067563913.db2.gz JDOCJIBCEUSWGH-UHFFFAOYSA-N 1 2 456.656 4.842 20 0 JJADLO CC(=O)N1CCC([N@@H+](CC(=O)Nc2c(C(C)C)cccc2C(C)C)Cc2cncs2)CC1 ZINC001460144270 1067563919 /nfs/dbraw/zinc/56/39/19/1067563919.db2.gz JDOCJIBCEUSWGH-UHFFFAOYSA-N 1 2 456.656 4.842 20 0 JJADLO CCOc1ccc([C@H]2CCCN2C(=O)C[N@@H+]2CCN(c3ccc(Cl)c(F)c3)C[C@@H]2C)cc1 ZINC001460192052 1067575563 /nfs/dbraw/zinc/57/55/63/1067575563.db2.gz CJKWBESGQYBNAN-MHECFPHRSA-N 1 2 459.993 4.752 20 0 JJADLO CCOc1ccc([C@H]2CCCN2C(=O)C[N@H+]2CCN(c3ccc(Cl)c(F)c3)C[C@@H]2C)cc1 ZINC001460192052 1067575572 /nfs/dbraw/zinc/57/55/72/1067575572.db2.gz CJKWBESGQYBNAN-MHECFPHRSA-N 1 2 459.993 4.752 20 0 JJADLO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1CCCC[C@@H]1COC(=O)NC1CCCCC1 ZINC001460201535 1067578349 /nfs/dbraw/zinc/57/83/49/1067578349.db2.gz ZHHVGPXBTHLIAE-SIKLNZKXSA-N 1 2 455.599 4.866 20 0 JJADLO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1CCCC[C@@H]1COC(=O)NC1CCCCC1 ZINC001460201535 1067578354 /nfs/dbraw/zinc/57/83/54/1067578354.db2.gz ZHHVGPXBTHLIAE-SIKLNZKXSA-N 1 2 455.599 4.866 20 0 JJADLO CC1CCC(N(C(=O)C[N@H+]2C[C@@H](c3ccccc3F)[C@H](NC(=O)OC(C)(C)C)C2)C2CC2)CC1 ZINC001460245169 1067590383 /nfs/dbraw/zinc/59/03/83/1067590383.db2.gz ZNGYANYKILODTC-IDMMRLHFSA-N 1 2 473.633 4.688 20 0 JJADLO CC1CCC(N(C(=O)C[N@@H+]2C[C@@H](c3ccccc3F)[C@H](NC(=O)OC(C)(C)C)C2)C2CC2)CC1 ZINC001460245169 1067590392 /nfs/dbraw/zinc/59/03/92/1067590392.db2.gz ZNGYANYKILODTC-IDMMRLHFSA-N 1 2 473.633 4.688 20 0 JJADLO CN(C)c1[nH+]ccc2cc(NC(=O)[C@@H]3CCCN3C(=O)c3cc(Cl)cc(Cl)c3)ccc21 ZINC001460272255 1067594960 /nfs/dbraw/zinc/59/49/60/1067594960.db2.gz NQLJSXVIANPVEN-FQEVSTJZSA-N 1 2 457.361 4.851 20 0 JJADLO O=C(Nc1ccccc1)c1ccc(C[N@H+]2CCN(C(=O)C(F)(F)F)C3(CCCCC3)C2)cc1 ZINC001460319903 1067607278 /nfs/dbraw/zinc/60/72/78/1067607278.db2.gz ZIEIYHNBDATYHB-UHFFFAOYSA-N 1 2 459.512 4.848 20 0 JJADLO O=C(Nc1ccccc1)c1ccc(C[N@@H+]2CCN(C(=O)C(F)(F)F)C3(CCCCC3)C2)cc1 ZINC001460319903 1067607284 /nfs/dbraw/zinc/60/72/84/1067607284.db2.gz ZIEIYHNBDATYHB-UHFFFAOYSA-N 1 2 459.512 4.848 20 0 JJADLO CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001460332820 1067609964 /nfs/dbraw/zinc/60/99/64/1067609964.db2.gz KZBXLCMRXHJCNX-HXUWFJFHSA-N 1 2 454.926 4.915 20 0 JJADLO CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001460332820 1067609968 /nfs/dbraw/zinc/60/99/68/1067609968.db2.gz KZBXLCMRXHJCNX-HXUWFJFHSA-N 1 2 454.926 4.915 20 0 JJADLO CCn1cc(C[N@H+](CC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)C(C)C)cn1 ZINC001460345838 1067613332 /nfs/dbraw/zinc/61/33/32/1067613332.db2.gz RBKRTUVVEAERBO-QFIPXVFZSA-N 1 2 453.974 4.738 20 0 JJADLO CCn1cc(C[N@@H+](CC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)C(C)C)cn1 ZINC001460345838 1067613338 /nfs/dbraw/zinc/61/33/38/1067613338.db2.gz RBKRTUVVEAERBO-QFIPXVFZSA-N 1 2 453.974 4.738 20 0 JJADLO O[C@H](COc1cc(Cl)cc(Cl)c1)C[NH+]1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC001460365596 1067619043 /nfs/dbraw/zinc/61/90/43/1067619043.db2.gz WCCPZVXPVPNYLK-INIZCTEOSA-N 1 2 450.193 4.862 20 0 JJADLO CC1(C)C[C@@H]([N@H+](CC(=O)Nc2c(F)cc(F)cc2Br)Cc2ccccc2)CO1 ZINC001460412610 1067630143 /nfs/dbraw/zinc/63/01/43/1067630143.db2.gz DLZRQFRQBSFPPX-MRXNPFEDSA-N 1 2 453.327 4.736 20 0 JJADLO CC1(C)C[C@@H]([N@@H+](CC(=O)Nc2c(F)cc(F)cc2Br)Cc2ccccc2)CO1 ZINC001460412610 1067630146 /nfs/dbraw/zinc/63/01/46/1067630146.db2.gz DLZRQFRQBSFPPX-MRXNPFEDSA-N 1 2 453.327 4.736 20 0 JJADLO COc1cccc([C@]2(C)CC[N@H+](Cc3nnnn3-c3ccc(Cl)cc3C(F)(F)F)C2)c1 ZINC001460426386 1067632717 /nfs/dbraw/zinc/63/27/17/1067632717.db2.gz LKBLYDCRNCLUJV-HXUWFJFHSA-N 1 2 451.880 4.507 20 0 JJADLO COc1cccc([C@]2(C)CC[N@@H+](Cc3nnnn3-c3ccc(Cl)cc3C(F)(F)F)C2)c1 ZINC001460426386 1067632723 /nfs/dbraw/zinc/63/27/23/1067632723.db2.gz LKBLYDCRNCLUJV-HXUWFJFHSA-N 1 2 451.880 4.507 20 0 JJADLO CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2)sc1NC(=O)C[N@@H+]1C[C@@H]2CCCC[C@@]21C ZINC001460566633 1067657723 /nfs/dbraw/zinc/65/77/23/1067657723.db2.gz LCDAEENEDXDHGV-GKVSMKOHSA-N 1 2 469.607 4.689 20 0 JJADLO CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2)sc1NC(=O)C[N@H+]1C[C@@H]2CCCC[C@@]21C ZINC001460566633 1067657731 /nfs/dbraw/zinc/65/77/31/1067657731.db2.gz LCDAEENEDXDHGV-GKVSMKOHSA-N 1 2 469.607 4.689 20 0 JJADLO CC(C)(C)OC(=O)N1CCO[C@@H](C[N@@H+]2CCC[C@@H]2c2ccc(Br)cc2Cl)C1 ZINC001460604280 1067668657 /nfs/dbraw/zinc/66/86/57/1067668657.db2.gz LHUDFJNVSUNTAM-MAUKXSAKSA-N 1 2 459.812 4.875 20 0 JJADLO CC(C)(C)OC(=O)N1CCO[C@@H](C[N@H+]2CCC[C@@H]2c2ccc(Br)cc2Cl)C1 ZINC001460604280 1067668659 /nfs/dbraw/zinc/66/86/59/1067668659.db2.gz LHUDFJNVSUNTAM-MAUKXSAKSA-N 1 2 459.812 4.875 20 0 JJADLO CC(C)(C)OC(=O)N1CC2(CCC2)[C@H]1C1CC[NH+](Cc2sncc2Br)CC1 ZINC001460689006 1067702307 /nfs/dbraw/zinc/70/23/07/1067702307.db2.gz YADDZXDQQCBBPG-QGZVFWFLSA-N 1 2 456.450 4.907 20 0 JJADLO C[C@@H]1C[N@H+](Cc2cc(Cl)cc(Br)c2)C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)O1 ZINC001460729392 1067711148 /nfs/dbraw/zinc/71/11/48/1067711148.db2.gz WWPDHNNUAODBKS-JLTOFOAXSA-N 1 2 459.812 4.703 20 0 JJADLO C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Br)c2)C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)O1 ZINC001460729392 1067711157 /nfs/dbraw/zinc/71/11/57/1067711157.db2.gz WWPDHNNUAODBKS-JLTOFOAXSA-N 1 2 459.812 4.703 20 0 JJADLO O=C(C[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC001460754023 1067716950 /nfs/dbraw/zinc/71/69/50/1067716950.db2.gz CLCWONJAYDMNNE-MRXNPFEDSA-N 1 2 453.464 4.784 20 0 JJADLO O=C(C[N@H+]1CC[C@@H](c2c(F)cccc2F)C1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC001460754023 1067716956 /nfs/dbraw/zinc/71/69/56/1067716956.db2.gz CLCWONJAYDMNNE-MRXNPFEDSA-N 1 2 453.464 4.784 20 0 JJADLO CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCCN2C(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC001460755257 1067717222 /nfs/dbraw/zinc/71/72/22/1067717222.db2.gz ANMWNXICNUFMCK-PKTZIBPZSA-N 1 2 452.599 4.573 20 0 JJADLO C[C@]1(C2CC[NH+](CC(=O)Nc3ccccc3Sc3ccc(Cl)cc3)CC2)COC(=O)N1 ZINC001460786815 1067723663 /nfs/dbraw/zinc/72/36/63/1067723663.db2.gz KPWLABNCJFSJIG-HSZRJFAPSA-N 1 2 459.999 4.640 20 0 JJADLO FC(F)Oc1c(Br)cccc1C[N@@H+]1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC001460866622 1067737498 /nfs/dbraw/zinc/73/74/98/1067737498.db2.gz VUKCXLOAYMEXBM-NSHDSACASA-N 1 2 452.221 4.849 20 0 JJADLO FC(F)Oc1c(Br)cccc1C[N@H+]1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC001460866622 1067737509 /nfs/dbraw/zinc/73/75/09/1067737509.db2.gz VUKCXLOAYMEXBM-NSHDSACASA-N 1 2 452.221 4.849 20 0 JJADLO C[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001460870776 1067739184 /nfs/dbraw/zinc/73/91/84/1067739184.db2.gz KMAVIZQUMLMNKG-GOSISDBHSA-N 1 2 451.583 4.677 20 0 JJADLO Cc1ccc(SCC(=O)N(CCCn2cc[nH+]c2)c2ccc(Br)cn2)c(C)c1 ZINC001461084072 1067778460 /nfs/dbraw/zinc/77/84/60/1067778460.db2.gz FDRIFMWIRKWAMU-UHFFFAOYSA-N 1 2 459.413 4.873 20 0 JJADLO COc1ccc([C@H]([NH2+]Cc2nc(Br)c[nH]2)c2ccccc2)cc1Br ZINC001461192038 1067796352 /nfs/dbraw/zinc/79/63/52/1067796352.db2.gz ZDEGEWZDBLRBQR-GOSISDBHSA-N 1 2 451.162 4.823 20 0 JJADLO CC(C)(C)OC(=O)N1CCN(c2ccc(NCc3ccc4ccc(F)c(F)c4n3)[nH+]c2)CC1 ZINC001461309270 1067825208 /nfs/dbraw/zinc/82/52/08/1067825208.db2.gz QOHYBNBKAWJXTH-UHFFFAOYSA-N 1 2 455.509 4.577 20 0 JJADLO CC(C)(C)OC(=O)N1CC[NH+](CCOc2ccccc2NC[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC001461561884 1067888397 /nfs/dbraw/zinc/88/83/97/1067888397.db2.gz ZKGRQELOSFNLQD-GOTSBHOMSA-N 1 2 451.611 4.834 20 0 JJADLO OCC[C@H]([NH2+]Cc1cccc(F)c1I)c1cc(Cl)cc(Cl)c1 ZINC001461665712 1067913808 /nfs/dbraw/zinc/91/38/08/1067913808.db2.gz BRXQKXOQPUBAEV-HNNXBMFYSA-N 1 2 454.110 4.950 20 0 JJADLO CC[C@@H]1C[N@H+](Cc2cn(-c3cccc(Cl)c3Cl)nn2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001461860498 1067949270 /nfs/dbraw/zinc/94/92/70/1067949270.db2.gz COHKCXISJKSHMR-RHSMWYFYSA-N 1 2 454.402 4.699 20 0 JJADLO CC[C@@H]1C[N@@H+](Cc2cn(-c3cccc(Cl)c3Cl)nn2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001461860498 1067949275 /nfs/dbraw/zinc/94/92/75/1067949275.db2.gz COHKCXISJKSHMR-RHSMWYFYSA-N 1 2 454.402 4.699 20 0 JJADLO CC[C@@H]1C[N@H+](Cc2cn(-c3cccc(Cl)c3Cl)nn2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001461860495 1067949297 /nfs/dbraw/zinc/94/92/97/1067949297.db2.gz COHKCXISJKSHMR-PBHICJAKSA-N 1 2 454.402 4.699 20 0 JJADLO CC[C@@H]1C[N@@H+](Cc2cn(-c3cccc(Cl)c3Cl)nn2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001461860495 1067949302 /nfs/dbraw/zinc/94/93/02/1067949302.db2.gz COHKCXISJKSHMR-PBHICJAKSA-N 1 2 454.402 4.699 20 0 JJADLO Cn1ncc(C(=O)OC(C)(C)C)c1C[NH+]1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC001461870499 1067951236 /nfs/dbraw/zinc/95/12/36/1067951236.db2.gz QXHXJPFERYIJCN-UHFFFAOYSA-N 1 2 454.398 4.973 20 0 JJADLO CC(C)[N@H+](Cc1ncc(I)s1)Cc1ccc(Br)cc1 ZINC001461933194 1067963695 /nfs/dbraw/zinc/96/36/95/1067963695.db2.gz FWGVTPGBFUPDAK-UHFFFAOYSA-N 1 2 451.171 4.921 20 0 JJADLO CC(C)[N@@H+](Cc1ncc(I)s1)Cc1ccc(Br)cc1 ZINC001461933194 1067963697 /nfs/dbraw/zinc/96/36/97/1067963697.db2.gz FWGVTPGBFUPDAK-UHFFFAOYSA-N 1 2 451.171 4.921 20 0 JJADLO COc1cccc(C[NH+]2CCN(C(=O)CCSc3ccnc4cc(Cl)ccc43)CC2)c1 ZINC001461934414 1067964136 /nfs/dbraw/zinc/96/41/36/1067964136.db2.gz DIINISRTVQELHW-UHFFFAOYSA-N 1 2 456.011 4.723 20 0 JJADLO COc1ccc(CCC(=O)N2CCC[N@H+](Cc3ccc(Sc4ccccn4)o3)CC2)cc1 ZINC001461961947 1067969804 /nfs/dbraw/zinc/96/98/04/1067969804.db2.gz XDUNHNLXNAUIJZ-UHFFFAOYSA-N 1 2 451.592 4.502 20 0 JJADLO COc1ccc(CCC(=O)N2CCC[N@@H+](Cc3ccc(Sc4ccccn4)o3)CC2)cc1 ZINC001461961947 1067969816 /nfs/dbraw/zinc/96/98/16/1067969816.db2.gz XDUNHNLXNAUIJZ-UHFFFAOYSA-N 1 2 451.592 4.502 20 0 JJADLO CC(C)(C)OC(=O)N1CCc2ccc(C[NH+]3CCN(C(=O)CC4CCCCC4)CC3)cc2C1 ZINC001461980459 1067973890 /nfs/dbraw/zinc/97/38/90/1067973890.db2.gz CNXRZWRYQZFQMF-UHFFFAOYSA-N 1 2 455.643 4.594 20 0 JJADLO COc1ccc(Oc2ccc(C[NH+]3CCN(CC(=O)Nc4c(C)cccc4C)CC3)cc2)cc1 ZINC001462029369 1067984551 /nfs/dbraw/zinc/98/45/51/1067984551.db2.gz AVMWRLDEQNKOCI-UHFFFAOYSA-N 1 2 459.590 4.861 20 0 JJADLO CCC[N@H+](Cc1cc(C2CN(C(=O)OC(C)(C)C)C2)no1)[C@H](C)C(=O)Nc1ccccc1C ZINC001462154299 1068017592 /nfs/dbraw/zinc/01/75/92/1068017592.db2.gz KIFIQDDQMOMHQH-GOSISDBHSA-N 1 2 456.587 4.557 20 0 JJADLO CCC[N@@H+](Cc1cc(C2CN(C(=O)OC(C)(C)C)C2)no1)[C@H](C)C(=O)Nc1ccccc1C ZINC001462154299 1068017600 /nfs/dbraw/zinc/01/76/00/1068017600.db2.gz KIFIQDDQMOMHQH-GOSISDBHSA-N 1 2 456.587 4.557 20 0 JJADLO C[C@@H]1CCCN(C(=O)OC[C@H]2CCCC[N@@H+]2Cc2cccc(I)c2)C1 ZINC001462224436 1068032265 /nfs/dbraw/zinc/03/22/65/1068032265.db2.gz GUHKPMRCMXNULV-VQIMIIECSA-N 1 2 456.368 4.514 20 0 JJADLO C[C@@H]1CCCN(C(=O)OC[C@H]2CCCC[N@H+]2Cc2cccc(I)c2)C1 ZINC001462224436 1068032277 /nfs/dbraw/zinc/03/22/77/1068032277.db2.gz GUHKPMRCMXNULV-VQIMIIECSA-N 1 2 456.368 4.514 20 0 JJADLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)c3sc4ccccc4c3Br)C2)c1 ZINC001462229221 1068033511 /nfs/dbraw/zinc/03/35/11/1068033511.db2.gz CPXYHUPYHMUVBR-QGZVFWFLSA-N 1 2 459.409 4.603 20 0 JJADLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)c3sc4ccccc4c3Br)C2)c1 ZINC001462229221 1068033529 /nfs/dbraw/zinc/03/35/29/1068033529.db2.gz CPXYHUPYHMUVBR-QGZVFWFLSA-N 1 2 459.409 4.603 20 0 JJADLO CCc1ccccc1O[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1)c1ccccc1 ZINC001462239811 1068035823 /nfs/dbraw/zinc/03/58/23/1068035823.db2.gz XSBIXUQCYXCCCX-IAPPQJPRSA-N 1 2 458.602 4.695 20 0 JJADLO CCc1ccccc1O[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1)c1ccccc1 ZINC001462239811 1068035838 /nfs/dbraw/zinc/03/58/38/1068035838.db2.gz XSBIXUQCYXCCCX-IAPPQJPRSA-N 1 2 458.602 4.695 20 0 JJADLO OCC1([C@H]([NH2+]Cc2cc(Br)c(O)c(Br)c2)c2ccccc2)CCC1 ZINC001462275520 1068042208 /nfs/dbraw/zinc/04/22/08/1068042208.db2.gz UYQVPQKPVGNNEJ-GOSISDBHSA-N 1 2 455.190 4.911 20 0 JJADLO COC1(c2noc(CC3CC[NH+](Cc4cccc(F)c4OC(F)(F)F)CC3)n2)CCCC1 ZINC001462447452 1068076570 /nfs/dbraw/zinc/07/65/70/1068076570.db2.gz SOIVYNKBMGGKMS-UHFFFAOYSA-N 1 2 457.468 4.978 20 0 JJADLO CCCc1c(C(=O)N2CC[NH+](Cc3ccc(CC)cc3)CC2)nnn1-c1cccc(C(C)C)c1 ZINC001462469934 1068080805 /nfs/dbraw/zinc/08/08/05/1068080805.db2.gz JWWTXBOVMYZVTO-UHFFFAOYSA-N 1 2 459.638 4.864 20 0 JJADLO C[N@H+](Cc1cccc(S(N)(=O)=O)c1)Cc1cc(F)ccc1Oc1ccc(Cl)c(F)c1 ZINC001462541070 1068094782 /nfs/dbraw/zinc/09/47/82/1068094782.db2.gz MOWYKMBKLLUGRI-UHFFFAOYSA-N 1 2 452.910 4.690 20 0 JJADLO C[N@@H+](Cc1cccc(S(N)(=O)=O)c1)Cc1cc(F)ccc1Oc1ccc(Cl)c(F)c1 ZINC001462541070 1068094797 /nfs/dbraw/zinc/09/47/97/1068094797.db2.gz MOWYKMBKLLUGRI-UHFFFAOYSA-N 1 2 452.910 4.690 20 0 JJADLO CCc1ccccc1NC(=O)C[C@@H](C)[N@@H+]1CCc2sc(CNC(=O)OC(C)(C)C)nc2C1 ZINC001462546845 1068095912 /nfs/dbraw/zinc/09/59/12/1068095912.db2.gz KRSASPPFFGYLKO-MRXNPFEDSA-N 1 2 458.628 4.506 20 0 JJADLO CCc1ccccc1NC(=O)C[C@@H](C)[N@H+]1CCc2sc(CNC(=O)OC(C)(C)C)nc2C1 ZINC001462546845 1068095928 /nfs/dbraw/zinc/09/59/28/1068095928.db2.gz KRSASPPFFGYLKO-MRXNPFEDSA-N 1 2 458.628 4.506 20 0 JJADLO CCO[C@@H]1C[C@H]([N@@H+]2CCc3sc(CNC(=O)OC(C)(C)C)nc3C2)[C@H]1Sc1ccccc1 ZINC001462548290 1068095990 /nfs/dbraw/zinc/09/59/90/1068095990.db2.gz OMXOVUGBZKGZNS-NNMXDRDESA-N 1 2 475.680 4.864 20 0 JJADLO CCO[C@@H]1C[C@H]([N@H+]2CCc3sc(CNC(=O)OC(C)(C)C)nc3C2)[C@H]1Sc1ccccc1 ZINC001462548290 1068096006 /nfs/dbraw/zinc/09/60/06/1068096006.db2.gz OMXOVUGBZKGZNS-NNMXDRDESA-N 1 2 475.680 4.864 20 0 JJADLO O=C(NCCN(Cc1ccccc1)c1cccc[nH+]1)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC001462643504 1068122526 /nfs/dbraw/zinc/12/25/26/1068122526.db2.gz PESWFXKPUIUFJG-FCHUYYIVSA-N 1 2 450.380 4.771 20 0 JJADLO COC(=O)c1ccc(C[NH+]2CCC(C(=O)c3ccccc3Cl)CC2)c(Br)c1 ZINC001462669565 1068127927 /nfs/dbraw/zinc/12/79/27/1068127927.db2.gz YTKZJCDTCJJZKX-UHFFFAOYSA-N 1 2 450.760 4.984 20 0 JJADLO CCCN([C@@H]1CCC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C(=O)C(C)(C)C)cc1 ZINC001462987575 1068241059 /nfs/dbraw/zinc/24/10/59/1068241059.db2.gz WVFCRZDYLIDKKB-HSZRJFAPSA-N 1 2 456.652 4.981 20 0 JJADLO CCCN([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C(=O)C(C)(C)C)cc1 ZINC001462987575 1068241064 /nfs/dbraw/zinc/24/10/64/1068241064.db2.gz WVFCRZDYLIDKKB-HSZRJFAPSA-N 1 2 456.652 4.981 20 0 JJADLO CCCN([C@H]1CCC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C(=O)C(C)(C)C)cc1 ZINC001462987579 1068241194 /nfs/dbraw/zinc/24/11/94/1068241194.db2.gz WVFCRZDYLIDKKB-QHCPKHFHSA-N 1 2 456.652 4.981 20 0 JJADLO CCCN([C@H]1CCC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C(=O)C(C)(C)C)cc1 ZINC001462987579 1068241199 /nfs/dbraw/zinc/24/11/99/1068241199.db2.gz WVFCRZDYLIDKKB-QHCPKHFHSA-N 1 2 456.652 4.981 20 0 JJADLO CN(C)c1ccc([NH+]2CCC(NS(=O)(=O)c3sc4ccccc4c3Cl)CC2)cc1 ZINC001463180039 1068311456 /nfs/dbraw/zinc/31/14/56/1068311456.db2.gz SVHVQCOMLAEUIP-UHFFFAOYSA-N 1 2 450.029 4.568 20 0 JJADLO CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(C(=O)c2ccc(CNC(=O)c3cccs3)cc2)C1 ZINC001463450694 1068401694 /nfs/dbraw/zinc/40/16/94/1068401694.db2.gz NKAMBJIWGBRTJR-HXUWFJFHSA-N 1 2 450.608 4.649 20 0 JJADLO CCc1ccc(Br)cc1C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC001463604678 1068462499 /nfs/dbraw/zinc/46/24/99/1068462499.db2.gz DHZMPROYFZPMJC-UHFFFAOYSA-N 1 2 451.792 4.502 20 0 JJADLO CCCOc1ccc(S(=O)(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1C(C)(C)C ZINC001463607470 1068464092 /nfs/dbraw/zinc/46/40/92/1068464092.db2.gz LJIGXFSIFFFJRL-UHFFFAOYSA-N 1 2 459.656 4.874 20 0 JJADLO O=C(c1cc2ccc(C(F)(F)F)cc2[nH]1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC001463606538 1068464159 /nfs/dbraw/zinc/46/41/59/1068464159.db2.gz XZKAAAKMVRGPMD-UHFFFAOYSA-N 1 2 451.876 4.677 20 0 JJADLO O=C(c1ccccc1OCc1ccc(Cl)cc1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001463613731 1068467011 /nfs/dbraw/zinc/46/70/11/1068467011.db2.gz VLPMSHZMQZKRKA-UHFFFAOYSA-N 1 2 450.966 4.756 20 0 JJADLO O=Cc1cccc(OCC(=O)N2CC[NH+](Cc3ccc(-c4ccccc4Cl)s3)CC2)c1 ZINC001463736074 1068507906 /nfs/dbraw/zinc/50/79/06/1068507906.db2.gz KDHKJOXLOBWTOV-UHFFFAOYSA-N 1 2 454.979 4.604 20 0 JJADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)CC1 ZINC001463736753 1068508221 /nfs/dbraw/zinc/50/82/21/1068508221.db2.gz MZWYZSVWRDGMDI-ZHZULCJRSA-N 1 2 452.904 4.947 20 0 JJADLO O=S(=O)(NCc1c(Cl)cccc1-n1cc[nH+]c1)c1c(Cl)cc(Cl)cc1Cl ZINC001463761044 1068515949 /nfs/dbraw/zinc/51/59/49/1068515949.db2.gz PCBRSOZZJVQFMJ-UHFFFAOYSA-N 1 2 451.162 4.964 20 0 JJADLO CCOc1ccc(C[NH+]2CCN(C(=O)C(C)(C)c3csc(-c4cccs4)n3)CC2)cc1 ZINC001463837297 1068542429 /nfs/dbraw/zinc/54/24/29/1068542429.db2.gz ZHPIOIIMXORCCF-UHFFFAOYSA-N 1 2 455.649 4.892 20 0 JJADLO CC(C)c1ccc(S(=O)(=O)NC2CC[NH+](Cc3cccc(Br)c3)CC2)cc1 ZINC001463871012 1068552071 /nfs/dbraw/zinc/55/20/71/1068552071.db2.gz FXUDNQFYKCAHPO-UHFFFAOYSA-N 1 2 451.430 4.515 20 0 JJADLO CC(C)(C(=O)NCc1cc[nH+]c(N2CCCC2)c1)[C@H](O)c1ccc(OCc2ccccc2)cc1 ZINC001463933456 1068569530 /nfs/dbraw/zinc/56/95/30/1068569530.db2.gz TUTYDZMTYKWYHZ-AREMUKBSSA-N 1 2 459.590 4.637 20 0 JJADLO C[C@@H](Oc1ccc([C@H](C)NS(=O)(=O)c2cccc3c2CC[N@H+](C)C3)cc1)c1ccccc1 ZINC001464030241 1068593415 /nfs/dbraw/zinc/59/34/15/1068593415.db2.gz OJXMEVNBEANQLO-VQTJNVASSA-N 1 2 450.604 4.854 20 0 JJADLO C[C@@H](Oc1ccc([C@H](C)NS(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)cc1)c1ccccc1 ZINC001464030241 1068593419 /nfs/dbraw/zinc/59/34/19/1068593419.db2.gz OJXMEVNBEANQLO-VQTJNVASSA-N 1 2 450.604 4.854 20 0 JJADLO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC001464126853 1068624981 /nfs/dbraw/zinc/62/49/81/1068624981.db2.gz AQOKOYQRGNZMAC-QKLQHJQFSA-N 1 2 468.013 4.816 20 0 JJADLO COc1cc(Br)cc(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1 ZINC001464129321 1068626585 /nfs/dbraw/zinc/62/65/85/1068626585.db2.gz IMCKDTDREAYYME-SFHVURJKSA-N 1 2 455.755 4.817 20 0 JJADLO CN(C(=O)OC(C)(C)C)C1(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CCC1 ZINC001464129316 1068626615 /nfs/dbraw/zinc/62/66/15/1068626615.db2.gz IKNPSLLPDDDXMU-GOSISDBHSA-N 1 2 453.986 4.522 20 0 JJADLO CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC001464132324 1068628471 /nfs/dbraw/zinc/62/84/71/1068628471.db2.gz TWQDJBDPLBCHAB-MOPGFXCFSA-N 1 2 456.002 4.672 20 0 JJADLO CC(C)c1cccc(-c2ccc(C(=O)NCCC[NH+]3CCN(C(=O)OC(C)(C)C)CC3)o2)c1 ZINC001464226778 1068665750 /nfs/dbraw/zinc/66/57/50/1068665750.db2.gz ARCSJXRTJARHJM-UHFFFAOYSA-N 1 2 455.599 4.743 20 0 JJADLO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)c2cc3sc4ccccc4c3s2)CC1 ZINC001464236110 1068668419 /nfs/dbraw/zinc/66/84/19/1068668419.db2.gz ONFWQWBISFYSFL-UHFFFAOYSA-N 1 2 459.637 4.789 20 0 JJADLO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2cccc(C(F)(F)F)c2O)c1 ZINC001464299481 1068696446 /nfs/dbraw/zinc/69/64/46/1068696446.db2.gz ONMBYAKGJPFAPF-ZDUSSCGKSA-N 1 2 453.436 4.615 20 0 JJADLO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2cccc(C(F)(F)F)c2O)c1 ZINC001464299481 1068696451 /nfs/dbraw/zinc/69/64/51/1068696451.db2.gz ONMBYAKGJPFAPF-ZDUSSCGKSA-N 1 2 453.436 4.615 20 0 JJADLO C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1Cl ZINC001464319004 1068703690 /nfs/dbraw/zinc/70/36/90/1068703690.db2.gz FRHBNYRPUPMOPP-SFHVURJKSA-N 1 2 450.970 4.781 20 0 JJADLO Cc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)cc1 ZINC001464374022 1068722166 /nfs/dbraw/zinc/72/21/66/1068722166.db2.gz CRBGMOYOPBHCFN-XLIONFOSSA-N 1 2 458.628 4.888 20 0 JJADLO Cc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)cc1 ZINC001464374022 1068722170 /nfs/dbraw/zinc/72/21/70/1068722170.db2.gz CRBGMOYOPBHCFN-XLIONFOSSA-N 1 2 458.628 4.888 20 0 JJADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H]3CCOc4ccc(Br)cc43)n2)C1 ZINC001464378261 1068724731 /nfs/dbraw/zinc/72/47/31/1068724731.db2.gz IOCPQDCDQDSITN-CJNGLKHVSA-N 1 2 450.402 4.642 20 0 JJADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H]3CCOc4ccc(Br)cc43)n2)C1 ZINC001464378261 1068724736 /nfs/dbraw/zinc/72/47/36/1068724736.db2.gz IOCPQDCDQDSITN-CJNGLKHVSA-N 1 2 450.402 4.642 20 0 JJADLO C[C@H](CC(=O)Nc1ccccc1OCCn1cc[nH+]c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001464382782 1068726251 /nfs/dbraw/zinc/72/62/51/1068726251.db2.gz HDOYFTLVCRNVJH-LJQANCHMSA-N 1 2 456.587 4.574 20 0 JJADLO C[C@H](C(=O)N[C@@H](c1ccsc1)c1ccc(Cl)cc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001464421680 1068739703 /nfs/dbraw/zinc/73/97/03/1068739703.db2.gz VJKYVFRDOLHCOU-UZUQRXQVSA-N 1 2 458.002 4.957 20 0 JJADLO C[C@@H](C(=O)N[C@H](c1ccsc1)c1ccc(Cl)cc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001464421677 1068739759 /nfs/dbraw/zinc/73/97/59/1068739759.db2.gz VJKYVFRDOLHCOU-SBUREZEXSA-N 1 2 458.002 4.957 20 0 JJADLO C[C@@H](C(=O)N[C@@H](c1ccsc1)c1ccc(Cl)cc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001464421671 1068740007 /nfs/dbraw/zinc/74/00/07/1068740007.db2.gz VJKYVFRDOLHCOU-GAJHUEQPSA-N 1 2 458.002 4.957 20 0 JJADLO O=C(NCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F)[C@@H]1CCn2cc[nH+]c2C1 ZINC001464710192 1068834066 /nfs/dbraw/zinc/83/40/66/1068834066.db2.gz QKUVQFQNDLCKRJ-CYBMUJFWSA-N 1 2 451.395 4.851 20 0 JJADLO FC(F)(c1cc(Cl)ncc1Cl)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164417525 718889507 /nfs/dbraw/zinc/88/95/07/718889507.db2.gz LIBUFNQOTUTQKD-CYBMUJFWSA-N 1 2 478.124 4.921 20 0 JJADLO FC(F)(N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1)C1(c2ccnc(Cl)c2)CC1 ZINC001164417941 718891075 /nfs/dbraw/zinc/89/10/75/718891075.db2.gz LQNHVSOFHMBZKG-OAHLLOKOSA-N 1 2 483.744 4.843 20 0 JJADLO FC(F)(N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1)C1(c2ccc(Cl)nc2)CC1 ZINC001164417249 718891136 /nfs/dbraw/zinc/89/11/36/718891136.db2.gz IONNWWKSHXNVRI-HNNXBMFYSA-N 1 2 483.744 4.843 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc3c(Cl)ccnc31)CC2 ZINC001164663903 719346785 /nfs/dbraw/zinc/34/67/85/719346785.db2.gz ONWMGQLSFHGYOF-UHFFFAOYSA-N 1 2 458.997 4.978 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc3c(Cl)ccnc31)CC2 ZINC001164663903 719346786 /nfs/dbraw/zinc/34/67/86/719346786.db2.gz ONWMGQLSFHGYOF-UHFFFAOYSA-N 1 2 458.997 4.978 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3c(Cl)cccc31)CC2 ZINC001164664125 719347472 /nfs/dbraw/zinc/34/74/72/719347472.db2.gz RUPYMHUNZSDFGX-UHFFFAOYSA-N 1 2 458.997 4.978 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3c(Cl)cccc31)CC2 ZINC001164664125 719347473 /nfs/dbraw/zinc/34/74/73/719347473.db2.gz RUPYMHUNZSDFGX-UHFFFAOYSA-N 1 2 458.997 4.978 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc3c(Cl)cccc3n1)CC2 ZINC001164658446 719350945 /nfs/dbraw/zinc/35/09/45/719350945.db2.gz HBXUUCUQWAEWRF-UHFFFAOYSA-N 1 2 458.997 4.978 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc3c(Cl)cccc3n1)CC2 ZINC001164658446 719350947 /nfs/dbraw/zinc/35/09/47/719350947.db2.gz HBXUUCUQWAEWRF-UHFFFAOYSA-N 1 2 458.997 4.978 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc3c(Cl)ccnc3cn1)CC2 ZINC001164660485 719352060 /nfs/dbraw/zinc/35/20/60/719352060.db2.gz UFECSWFMADCRRF-UHFFFAOYSA-N 1 2 458.997 4.978 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc3c(Cl)ccnc3cn1)CC2 ZINC001164660485 719352063 /nfs/dbraw/zinc/35/20/63/719352063.db2.gz UFECSWFMADCRRF-UHFFFAOYSA-N 1 2 458.997 4.978 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3sc4c(c31)CCC4)CC2 ZINC001164658909 719353865 /nfs/dbraw/zinc/35/38/65/719353865.db2.gz LSMDQAXXYIKEOY-UHFFFAOYSA-N 1 2 470.646 4.875 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3sc4c(c31)CCC4)CC2 ZINC001164658909 719353868 /nfs/dbraw/zinc/35/38/68/719353868.db2.gz LSMDQAXXYIKEOY-UHFFFAOYSA-N 1 2 470.646 4.875 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(-c3ccncc3)nc(C)c1C)CC2 ZINC001164660613 719354818 /nfs/dbraw/zinc/35/48/18/719354818.db2.gz WALOWHAUFKXZNH-UHFFFAOYSA-N 1 2 479.632 4.850 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(-c3ccncc3)nc(C)c1C)CC2 ZINC001164660613 719354820 /nfs/dbraw/zinc/35/48/20/719354820.db2.gz WALOWHAUFKXZNH-UHFFFAOYSA-N 1 2 479.632 4.850 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(-c3ccccc3F)nn1)CC2 ZINC001164658037 719354903 /nfs/dbraw/zinc/35/49/03/719354903.db2.gz BTBWZRLNEURHQB-UHFFFAOYSA-N 1 2 468.580 4.977 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(-c3ccccc3F)nn1)CC2 ZINC001164658037 719354904 /nfs/dbraw/zinc/35/49/04/719354904.db2.gz BTBWZRLNEURHQB-UHFFFAOYSA-N 1 2 468.580 4.977 20 0 JJADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2cc(Cl)nc(Cc4ccccc4)n2)CC3)cc1 ZINC001164671250 719505197 /nfs/dbraw/zinc/50/51/97/719505197.db2.gz DCZCYTYAPSFMBT-UHFFFAOYSA-N 1 2 466.988 4.731 20 0 JJADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2cc(Cl)nc(Cc4ccccc4)n2)CC3)cc1 ZINC001164671250 719505207 /nfs/dbraw/zinc/50/52/07/719505207.db2.gz DCZCYTYAPSFMBT-UHFFFAOYSA-N 1 2 466.988 4.731 20 0 JJADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2cncc(OCc4cccc(Cl)c4)n2)CC3)cc1 ZINC001164678157 719530305 /nfs/dbraw/zinc/53/03/05/719530305.db2.gz JLFLJDFEAMSDRV-UHFFFAOYSA-N 1 2 482.987 4.720 20 0 JJADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2cncc(OCc4cccc(Cl)c4)n2)CC3)cc1 ZINC001164678157 719530320 /nfs/dbraw/zinc/53/03/20/719530320.db2.gz JLFLJDFEAMSDRV-UHFFFAOYSA-N 1 2 482.987 4.720 20 0 JJADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN(C(F)(F)c3ccc(Cl)nc3Cl)CC2)cc1 ZINC001164695881 719830019 /nfs/dbraw/zinc/83/00/19/719830019.db2.gz GHTWIJIAKOONNP-UHFFFAOYSA-N 1 2 492.357 4.838 20 0 JJADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN(C(F)(F)c3cc(Cl)ncc3Cl)CC2)cc1 ZINC001164699605 719830022 /nfs/dbraw/zinc/83/00/22/719830022.db2.gz XYKSXLLJAOROFW-UHFFFAOYSA-N 1 2 492.357 4.838 20 0 JJADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN(C(F)(F)c3cc(Cl)nc4c3CCC4)CC2)cc1 ZINC001164696844 719830390 /nfs/dbraw/zinc/83/03/90/719830390.db2.gz LBDHUFGGNBRQIO-UHFFFAOYSA-N 1 2 497.977 4.673 20 0 JJADLO FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164756780 720974142 /nfs/dbraw/zinc/97/41/42/720974142.db2.gz KXMJXMIZYMVMSV-QGZVFWFLSA-N 1 2 459.928 4.601 20 0 JJADLO FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164758920 720976838 /nfs/dbraw/zinc/97/68/38/720976838.db2.gz WWUGKOSVNWRAKX-CQSZACIVSA-N 1 2 468.335 4.741 20 0 JJADLO FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164758052 720980271 /nfs/dbraw/zinc/98/02/71/720980271.db2.gz SFKGXPHZLSILEA-LBPRGKRZSA-N 1 2 451.732 4.846 20 0 JJADLO FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164757037 720983149 /nfs/dbraw/zinc/98/31/49/720983149.db2.gz MDPSOXCTRDUPPR-KRWDZBQOSA-N 1 2 459.928 4.601 20 0 JJADLO COc1ccccc1-c1cc(C(F)(F)N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)c(Cl)nn1 ZINC001164756811 720984712 /nfs/dbraw/zinc/98/47/12/720984712.db2.gz LNNDOWRSNBWISF-KRWDZBQOSA-N 1 2 489.954 4.610 20 0 JJADLO FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164872326 721220100 /nfs/dbraw/zinc/22/01/00/721220100.db2.gz NLQADZQOOBPVBW-UHFFFAOYSA-N 1 2 480.346 4.752 20 0 JJADLO FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164764524 721272980 /nfs/dbraw/zinc/27/29/80/721272980.db2.gz HFBMLFNCYONOOH-QGZVFWFLSA-N 1 2 482.922 4.649 20 0 JJADLO FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164770723 721276433 /nfs/dbraw/zinc/27/64/33/721276433.db2.gz XVLXQUMHYQZOJG-KRWDZBQOSA-N 1 2 482.922 4.649 20 0 JJADLO FC(F)(c1cc(Cl)nc2c1CCCCC2)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164766285 721278201 /nfs/dbraw/zinc/27/82/01/721278201.db2.gz BOOLSHYHHOSGMB-QGZVFWFLSA-N 1 2 473.955 4.856 20 0 JJADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1ccc(-c3ccnc(Cl)c3)cc1)C2 ZINC001165011338 721698618 /nfs/dbraw/zinc/69/86/18/721698618.db2.gz RHXGBCXLOXRJRK-UHFFFAOYSA-N 1 2 460.960 4.789 20 0 JJADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1ccc(-c3ccnc(Cl)c3)cc1)C2 ZINC001165011338 721698619 /nfs/dbraw/zinc/69/86/19/721698619.db2.gz RHXGBCXLOXRJRK-UHFFFAOYSA-N 1 2 460.960 4.789 20 0 JJADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1ccc3nc(Cl)cc(Cl)c3c1)C2 ZINC001165009546 721700979 /nfs/dbraw/zinc/70/09/79/721700979.db2.gz BAKZTTZRCCZSDE-UHFFFAOYSA-N 1 2 469.367 4.929 20 0 JJADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1ccc3nc(Cl)cc(Cl)c3c1)C2 ZINC001165009546 721700985 /nfs/dbraw/zinc/70/09/85/721700985.db2.gz BAKZTTZRCCZSDE-UHFFFAOYSA-N 1 2 469.367 4.929 20 0 JJADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(-c3ccc(F)cc3)nc3cc(Cl)ccc31)C2 ZINC001165010769 721707450 /nfs/dbraw/zinc/70/74/50/721707450.db2.gz MEYXHDMVUZWHJG-UHFFFAOYSA-N 1 2 479.991 4.931 20 0 JJADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(-c3ccc(F)cc3)nc3cc(Cl)ccc31)C2 ZINC001165010769 721707452 /nfs/dbraw/zinc/70/74/52/721707452.db2.gz MEYXHDMVUZWHJG-UHFFFAOYSA-N 1 2 479.991 4.931 20 0 JJADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(Cl)nc(-c3ccc(-c4ccccc4)cc3)n2)CC1 ZINC001164918467 721815635 /nfs/dbraw/zinc/81/56/35/721815635.db2.gz ZNFRJJBJGSQZRR-UHFFFAOYSA-N 1 2 486.023 4.805 20 0 JJADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)Oc2ccc(-c3ccnc(Cl)c3)cc2)CC1 ZINC001164918254 721816580 /nfs/dbraw/zinc/81/65/80/721816580.db2.gz KZVHUPWRXHHOLQ-UHFFFAOYSA-N 1 2 473.955 4.773 20 0 JJADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)Oc2ccc(-c3ccnc(Cl)c3)cc2)CC1 ZINC001164918254 721816581 /nfs/dbraw/zinc/81/65/81/721816581.db2.gz KZVHUPWRXHHOLQ-UHFFFAOYSA-N 1 2 473.955 4.773 20 0 JJADLO FC(F)(F)c1ccccc1-c1cc(C(F)(F)N2CC[NH+](C[C@@H]3CCCO3)CC2)c(Cl)nn1 ZINC001165043651 721926248 /nfs/dbraw/zinc/92/62/48/721926248.db2.gz ORMNSLUVFCVCIN-AWEZNQCLSA-N 1 2 476.877 4.662 20 0 JJADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1ccc(OC(F)F)c(Br)c1 ZINC001545865119 1064272608 /nfs/dbraw/zinc/27/26/08/1064272608.db2.gz OUMHKTZPRWWZKZ-UHFFFAOYSA-N 1 2 454.315 4.756 20 0 JJADLO CC(C)[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001359731080 1064283821 /nfs/dbraw/zinc/28/38/21/1064283821.db2.gz HFIXXYMPSPINAO-QIJUGHKUSA-N 1 2 461.601 4.973 20 0 JJADLO CC(C)[C@@H]1CCCN1c1nnc(CSc2ccc(Cl)cc2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001359738206 1064301609 /nfs/dbraw/zinc/30/16/09/1064301609.db2.gz PBUBFNYAKRXDJG-RXVVDRJESA-N 1 2 464.079 4.569 20 0 JJADLO CC(C)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001359742863 1064312690 /nfs/dbraw/zinc/31/26/90/1064312690.db2.gz WGWADISRHPAWIZ-YADHBBJMSA-N 1 2 461.601 4.973 20 0 JJADLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1cc2ccccc2n1CC(F)(F)F ZINC001435012329 1064428029 /nfs/dbraw/zinc/42/80/29/1064428029.db2.gz KJYYZHSGIJGTLG-LJQANCHMSA-N 1 2 459.512 4.567 20 0 JJADLO CC[C@@H](C(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC001435013232 1064429663 /nfs/dbraw/zinc/42/96/63/1064429663.db2.gz KUYNHMQNCXYWRB-AUSIDOKSSA-N 1 2 459.428 4.692 20 0 JJADLO CC(C)(C)c1ccc(N2CCC(NC(=O)[C@@H](c3ccccc3)[NH+]3CCSCC3)CC2)cc1 ZINC001435070098 1064491323 /nfs/dbraw/zinc/49/13/23/1064491323.db2.gz VYLYSVYMICMZTH-RUZDIDTESA-N 1 2 451.680 4.859 20 0 JJADLO CC(C)(C)c1ccc(N2CCC(NC(=O)[C@H](c3ccccc3)[NH+]3CCSCC3)CC2)cc1 ZINC001435070102 1064492102 /nfs/dbraw/zinc/49/21/02/1064492102.db2.gz VYLYSVYMICMZTH-VWLOTQADSA-N 1 2 451.680 4.859 20 0 JJADLO O=C(Nc1cccc2[nH+]ccn21)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F ZINC001435154571 1064552842 /nfs/dbraw/zinc/55/28/42/1064552842.db2.gz IXSBLITXHZSECF-UHFFFAOYSA-N 1 2 456.762 4.777 20 0 JJADLO CC(C)C[C@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001359885736 1064580935 /nfs/dbraw/zinc/58/09/35/1064580935.db2.gz FJXRUAFLHJIVBS-XZOQPEGZSA-N 1 2 483.701 4.748 20 0 JJADLO CC(C)C[C@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001359885736 1064580949 /nfs/dbraw/zinc/58/09/49/1064580949.db2.gz FJXRUAFLHJIVBS-XZOQPEGZSA-N 1 2 483.701 4.748 20 0 JJADLO CC(C)CCCn1c(COc2ccc(Br)cc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001359911879 1064629206 /nfs/dbraw/zinc/62/92/06/1064629206.db2.gz HFODDLRKPRBIAO-UHFFFAOYSA-N 1 2 499.457 4.777 20 0 JJADLO CC(C)CCN(C)c1nnc(COc2ccccc2F)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001359921726 1064648733 /nfs/dbraw/zinc/64/87/33/1064648733.db2.gz SELZKHFRQSNCDJ-UHFFFAOYSA-N 1 2 466.605 4.912 20 0 JJADLO CC(C)CCN(c1nnc([C@H]2CCCOC2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C)C1CC1 ZINC001359924664 1064655947 /nfs/dbraw/zinc/65/59/47/1064655947.db2.gz WAWFLSKGWGJUMQ-AVRDEDQJSA-N 1 2 461.601 4.768 20 0 JJADLO CC(C)CCOc1ccc(-c2nnc(N(C)CC(C)(C)C)n2CC2([NH+]3CCOCC3)CC2)cc1 ZINC001359950254 1064704398 /nfs/dbraw/zinc/70/43/98/1064704398.db2.gz FSWRIAWVXTVPMB-UHFFFAOYSA-N 1 2 469.674 4.717 20 0 JJADLO CC(C)CCOC1CCN(c2nnc(C(C)(C)C)n2C[C@H](c2ccccc2)[NH+]2CCOCC2)CC1 ZINC001359955218 1064724044 /nfs/dbraw/zinc/72/40/44/1064724044.db2.gz XUIBSRKMSVSEGZ-RUZDIDTESA-N 1 2 483.701 4.681 20 0 JJADLO CC[C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)Oc1cccc(C(F)(F)F)c1 ZINC001435433413 1064754541 /nfs/dbraw/zinc/75/45/41/1064754541.db2.gz ATQBWLIFBVFEDZ-PZJWPPBQSA-N 1 2 452.542 4.769 20 0 JJADLO CCCCOc1ccc(C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c(Cl)c1 ZINC001435466949 1064774419 /nfs/dbraw/zinc/77/44/19/1064774419.db2.gz ZLCMJTRKXZUMAV-UHFFFAOYSA-N 1 2 450.410 4.724 20 0 JJADLO COc1ccc(-c2nc(C)sc2CC(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)cc1 ZINC001359996950 1064782116 /nfs/dbraw/zinc/78/21/16/1064782116.db2.gz HKDZNBWKBYPTMX-KRWDZBQOSA-N 1 2 451.592 4.702 20 0 JJADLO CC(C)(C)OC(=O)N1CCc2c1cccc2NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC001435507341 1064794688 /nfs/dbraw/zinc/79/46/88/1064794688.db2.gz LOHUIJOJIOWOKK-QFIPXVFZSA-N 1 2 453.608 4.713 20 0 JJADLO O=C(Nc1ccc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1)c1cc(Cl)cc(Cl)c1 ZINC001435590568 1064856009 /nfs/dbraw/zinc/85/60/09/1064856009.db2.gz BUGAIWAOVYLCJY-FQEVSTJZSA-N 1 2 455.345 4.649 20 0 JJADLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(OC)c(C(C)C)c(OC)c1 ZINC001435627323 1064889787 /nfs/dbraw/zinc/88/97/87/1064889787.db2.gz YFOUSLRDFKNAHP-XXBNENTESA-N 1 2 453.627 4.903 20 0 JJADLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(OC)c(C(C)C)c(OC)c1 ZINC001435627323 1064889795 /nfs/dbraw/zinc/88/97/95/1064889795.db2.gz YFOUSLRDFKNAHP-XXBNENTESA-N 1 2 453.627 4.903 20 0 JJADLO O=C(CCCC1CCOCC1)N1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC001435632203 1064893297 /nfs/dbraw/zinc/89/32/97/1064893297.db2.gz NPZSLIKRSYYXEM-UHFFFAOYSA-N 1 2 450.623 4.534 20 0 JJADLO COc1cccc([C@@H](C)C(=O)N2CC[NH+](CCOC(c3ccccc3)c3ccccc3)CC2)c1 ZINC001435632556 1064893450 /nfs/dbraw/zinc/89/34/50/1064893450.db2.gz OTJYUFYUWMPOIU-HSZRJFAPSA-N 1 2 458.602 4.749 20 0 JJADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)[C@H]2CC[C@@H]2c2ccc(Cl)cc2F)c2ccc(Cl)cc2)C1 ZINC001435744752 1064969216 /nfs/dbraw/zinc/96/92/16/1064969216.db2.gz CLSWTVWNGOQOJR-QTPAZIJBSA-N 1 2 451.369 4.814 20 0 JJADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)[C@H]2CC[C@@H]2c2ccc(Cl)cc2F)c2ccc(Cl)cc2)C1 ZINC001435744752 1064969224 /nfs/dbraw/zinc/96/92/24/1064969224.db2.gz CLSWTVWNGOQOJR-QTPAZIJBSA-N 1 2 451.369 4.814 20 0 JJADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)c2ccc(Cl)cc2)C1 ZINC001435749604 1064973806 /nfs/dbraw/zinc/97/38/06/1064973806.db2.gz OWJRDXMKSQNYDB-IVAOSVALSA-N 1 2 453.797 4.938 20 0 JJADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)c2ccc(Cl)cc2)C1 ZINC001435749604 1064973817 /nfs/dbraw/zinc/97/38/17/1064973817.db2.gz OWJRDXMKSQNYDB-IVAOSVALSA-N 1 2 453.797 4.938 20 0 JJADLO O=C(NC1CCC(O)(c2ccccc2)CC1)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC001435813197 1065005515 /nfs/dbraw/zinc/00/55/15/1065005515.db2.gz HWXKNFJZWAQPMP-MHIUNMELSA-N 1 2 457.412 4.533 20 0 JJADLO O=C(NC1CCC(O)(c2ccccc2)CC1)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC001435813200 1065005561 /nfs/dbraw/zinc/00/55/61/1065005561.db2.gz HWXKNFJZWAQPMP-XERBYJISSA-N 1 2 457.412 4.533 20 0 JJADLO COc1ccc2c(c1)CCC[C@@H]2CNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC001435828334 1065011871 /nfs/dbraw/zinc/01/18/71/1065011871.db2.gz VOINBKRKHCTRJM-AUSIDOKSSA-N 1 2 457.412 4.831 20 0 JJADLO Cc1cc(Br)cn2cc(CCNC(=O)c3ccccc3Oc3ccncc3)[nH+]c12 ZINC001435847489 1065021320 /nfs/dbraw/zinc/02/13/20/1065021320.db2.gz GBRNESNAADDKAH-UHFFFAOYSA-N 1 2 451.324 4.565 20 0 JJADLO C[NH+]1CCN(c2ccc(NC(=O)CCCc3ccc(Cl)cc3)cc2Br)CC1 ZINC001435915451 1065061905 /nfs/dbraw/zinc/06/19/05/1065061905.db2.gz GXCYETFLTQTJCH-UHFFFAOYSA-N 1 2 450.808 4.816 20 0 JJADLO C[C@@H]1CCCC[C@H]1CC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(I)cc1 ZINC001436049256 1065143201 /nfs/dbraw/zinc/14/32/01/1065143201.db2.gz YBDHBAWMQWGFTB-IMFGXOCKSA-N 1 2 454.396 4.588 20 0 JJADLO C[C@@H]1CCCC[C@H]1CC(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(I)cc1 ZINC001436049256 1065143205 /nfs/dbraw/zinc/14/32/05/1065143205.db2.gz YBDHBAWMQWGFTB-IMFGXOCKSA-N 1 2 454.396 4.588 20 0 JJADLO CCCCC[C@H](CC)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(I)cc1 ZINC001436049371 1065143288 /nfs/dbraw/zinc/14/32/88/1065143288.db2.gz ZVLJFSWEBXZGED-AZUAARDMSA-N 1 2 456.412 4.978 20 0 JJADLO CCCCC[C@H](CC)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(I)cc1 ZINC001436049371 1065143301 /nfs/dbraw/zinc/14/33/01/1065143301.db2.gz ZVLJFSWEBXZGED-AZUAARDMSA-N 1 2 456.412 4.978 20 0 JJADLO COc1ccc(-c2nc(C)c([C@H](C)NC(=O)Cn3c(C)[nH+]c4cc(F)c(F)cc43)s2)cc1 ZINC001360383850 1065246802 /nfs/dbraw/zinc/24/68/02/1065246802.db2.gz GMDDYXIROVFHJW-LBPRGKRZSA-N 1 2 456.518 4.941 20 0 JJADLO O=C(c1cc2ccc(Br)cc2s1)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC001436212207 1065254840 /nfs/dbraw/zinc/25/48/40/1065254840.db2.gz BLNWSHGPUBAKBT-UHFFFAOYSA-N 1 2 450.427 4.898 20 0 JJADLO O=C(NCCOc1ccc(Cl)c(F)c1)[C@@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001436272945 1065283699 /nfs/dbraw/zinc/28/36/99/1065283699.db2.gz ZTHIVFWJKDPGDZ-LJQANCHMSA-N 1 2 455.755 4.574 20 0 JJADLO CC(C)SCCn1c(N2CC[NH+](CCOc3ccccc3Cl)CC2)nnc1C(C)(C)C ZINC001360424733 1065293107 /nfs/dbraw/zinc/29/31/07/1065293107.db2.gz HLNGEWSBYSQJMM-UHFFFAOYSA-N 1 2 466.095 4.572 20 0 JJADLO C[C@H](c1cccc(O)c1)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001360446119 1065335532 /nfs/dbraw/zinc/33/55/32/1065335532.db2.gz PEJLPEMKYVNOGI-IHLLOCCUSA-N 1 2 478.641 4.609 20 0 JJADLO C[C@@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N(C)Cc1cccs1)[NH+]1CCOCC1 ZINC001360583341 1065580879 /nfs/dbraw/zinc/58/08/79/1065580879.db2.gz BMJNOKFROSKRBL-INIZCTEOSA-N 1 2 496.464 4.583 20 0 JJADLO C[C@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)C1CCCCC1)[NH+]1CCOCC1 ZINC001360584280 1065583793 /nfs/dbraw/zinc/58/37/93/1065583793.db2.gz UPIHRCMEVNROTM-OAQYLSRUSA-N 1 2 469.674 4.644 20 0 JJADLO CCOc1cc(-c2ccccc2)sc1C(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC001438559791 1065731304 /nfs/dbraw/zinc/73/13/04/1065731304.db2.gz BURCKDUMVOCRAL-JOCHJYFZSA-N 1 2 450.604 4.753 20 0 JJADLO CCOc1cc(-c2ccccc2)sc1C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC001438559791 1065731318 /nfs/dbraw/zinc/73/13/18/1065731318.db2.gz BURCKDUMVOCRAL-JOCHJYFZSA-N 1 2 450.604 4.753 20 0 JJADLO CC(C)(C)OC(=O)NCC[N@H+](CC(=O)NCc1ccc(C(C)(C)C)s1)Cc1ccccc1 ZINC001439110668 1065788157 /nfs/dbraw/zinc/78/81/57/1065788157.db2.gz RDXYDYWZWJXMQB-UHFFFAOYSA-N 1 2 459.656 4.689 20 0 JJADLO CC(C)(C)OC(=O)NCC[N@@H+](CC(=O)NCc1ccc(C(C)(C)C)s1)Cc1ccccc1 ZINC001439110668 1065788169 /nfs/dbraw/zinc/78/81/69/1065788169.db2.gz RDXYDYWZWJXMQB-UHFFFAOYSA-N 1 2 459.656 4.689 20 0 JJADLO C[C@@H]1Cc2cc(C(F)(F)F)cc(Cl)c2N(C(=O)C2CC[NH+](Cc3nccn3C)CC2)C1 ZINC001439195800 1065797008 /nfs/dbraw/zinc/79/70/08/1065797008.db2.gz CIAPNKZQJDDULP-CQSZACIVSA-N 1 2 454.924 4.530 20 0 JJADLO C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)C2CCCCC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001360753405 1065799420 /nfs/dbraw/zinc/79/94/20/1065799420.db2.gz CHGCIRNBGBHQFD-MOPGFXCFSA-N 1 2 462.038 4.561 20 0 JJADLO C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)C2CCCCC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001360753405 1065799429 /nfs/dbraw/zinc/79/94/29/1065799429.db2.gz CHGCIRNBGBHQFD-MOPGFXCFSA-N 1 2 462.038 4.561 20 0 JJADLO C[C@@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)C[C@@H]1CC=CCC1)[NH+]1CCOCC1 ZINC001360754501 1065805881 /nfs/dbraw/zinc/80/58/81/1065805881.db2.gz VVPWKTWQCXNZMX-PCCBWWKXSA-N 1 2 474.049 4.585 20 0 JJADLO C[C@H](c1cccs1)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001360762299 1065837994 /nfs/dbraw/zinc/83/79/94/1065837994.db2.gz CURLOMIVIBCJTF-OTWHNJEPSA-N 1 2 473.618 4.537 20 0 JJADLO C[C@H](c1cccs1)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CC[N@H+]1CCOC[C@@H]1C ZINC001360762299 1065838017 /nfs/dbraw/zinc/83/80/17/1065838017.db2.gz CURLOMIVIBCJTF-OTWHNJEPSA-N 1 2 473.618 4.537 20 0 JJADLO CC(C)[C@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCNc2cccc[nH+]2)C1 ZINC001360769080 1065859646 /nfs/dbraw/zinc/85/96/46/1065859646.db2.gz CZMBANOVDCSMDC-PMACEKPBSA-N 1 2 452.578 4.937 20 0 JJADLO CC(C)[C@@H]1CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001360774958 1065876234 /nfs/dbraw/zinc/87/62/34/1065876234.db2.gz QDUOMYXSBWOYHU-RXVVDRJESA-N 1 2 452.578 4.691 20 0 JJADLO Cc1ccc(Sc2ccc(NC(=O)[C@@H](Cc3c[nH]c[nH+]3)NC(=O)CC(C)C)cc2)c(C)c1 ZINC001440437626 1065940892 /nfs/dbraw/zinc/94/08/92/1065940892.db2.gz XEXRLSLBTIYUGN-JOCHJYFZSA-N 1 2 450.608 4.890 20 0 JJADLO Cc1ccc(Sc2ccc(NC(=O)[C@@H](Cc3c[nH+]c[nH]3)NC(=O)CC(C)C)cc2)c(C)c1 ZINC001440437626 1065940901 /nfs/dbraw/zinc/94/09/01/1065940901.db2.gz XEXRLSLBTIYUGN-JOCHJYFZSA-N 1 2 450.608 4.890 20 0 JJADLO C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC001440487915 1065943614 /nfs/dbraw/zinc/94/36/14/1065943614.db2.gz XNCYOZZQZIWREH-KRWDZBQOSA-N 1 2 454.920 4.761 20 0 JJADLO CCCc1ccc(-c2nc(NC(=O)[C@H](Cc3c[nH]c[nH+]3)NC(=O)CC(C)C)sc2C)cc1 ZINC001440657791 1065959652 /nfs/dbraw/zinc/95/96/52/1065959652.db2.gz AZAAGCLWOWYCGJ-FQEVSTJZSA-N 1 2 453.612 4.506 20 0 JJADLO CCCc1ccc(-c2nc(NC(=O)[C@H](Cc3c[nH+]c[nH]3)NC(=O)CC(C)C)sc2C)cc1 ZINC001440657791 1065959661 /nfs/dbraw/zinc/95/96/61/1065959661.db2.gz AZAAGCLWOWYCGJ-FQEVSTJZSA-N 1 2 453.612 4.506 20 0 JJADLO O=C(c1ccc(OCc2ccccc2)cn1)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001440707958 1065968677 /nfs/dbraw/zinc/96/86/77/1065968677.db2.gz GNQWLGHJLIYHGE-UHFFFAOYSA-N 1 2 455.480 4.637 20 0 JJADLO Cc1ncsc1CN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC[N@@H+]1CCOCC1(C)C ZINC001360865843 1065985972 /nfs/dbraw/zinc/98/59/72/1065985972.db2.gz JJFIZAFPFZJQLC-OAQYLSRUSA-N 1 2 498.697 4.547 20 0 JJADLO Cc1ncsc1CN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC[N@H+]1CCOCC1(C)C ZINC001360865843 1065985984 /nfs/dbraw/zinc/98/59/84/1065985984.db2.gz JJFIZAFPFZJQLC-OAQYLSRUSA-N 1 2 498.697 4.547 20 0 JJADLO Cc1ncsc1CN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC[N@@H+]1CCOCC1(C)C ZINC001360865842 1065986086 /nfs/dbraw/zinc/98/60/86/1065986086.db2.gz JJFIZAFPFZJQLC-NRFANRHFSA-N 1 2 498.697 4.547 20 0 JJADLO Cc1ncsc1CN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC[N@H+]1CCOCC1(C)C ZINC001360865842 1065986100 /nfs/dbraw/zinc/98/61/00/1065986100.db2.gz JJFIZAFPFZJQLC-NRFANRHFSA-N 1 2 498.697 4.547 20 0 JJADLO Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H]3CCC[C@@H](C)C3)n2CC[N@@H+]2CCOC[C@H]2C)c1C ZINC001360866592 1065989070 /nfs/dbraw/zinc/98/90/70/1065989070.db2.gz WACIRGSPKYMSHQ-WDWDUUAGSA-N 1 2 469.674 4.771 20 0 JJADLO Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H]3CCC[C@@H](C)C3)n2CC[N@H+]2CCOC[C@H]2C)c1C ZINC001360866592 1065989088 /nfs/dbraw/zinc/98/90/88/1065989088.db2.gz WACIRGSPKYMSHQ-WDWDUUAGSA-N 1 2 469.674 4.771 20 0 JJADLO COc1ccc([C@H](CNC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)c2c[nH]c3ccccc32)cc1 ZINC001440890644 1065990569 /nfs/dbraw/zinc/99/05/69/1065990569.db2.gz ATBNYZMMGQHSGH-SIKLNZKXSA-N 1 2 456.468 4.815 20 0 JJADLO C[C@H](C(=O)N1CC[NH+](Cc2ccc(-c3ccc(Br)cc3)s2)CC1)n1cccc1 ZINC001441103957 1066007962 /nfs/dbraw/zinc/00/79/62/1066007962.db2.gz URZHJCVEKMLHLU-QGZVFWFLSA-N 1 2 458.425 4.885 20 0 JJADLO CC(C)(C)OC(=O)N1CCC(CCCCC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC001441118792 1066008702 /nfs/dbraw/zinc/00/87/02/1066008702.db2.gz OWAORDJRYACIJM-UHFFFAOYSA-N 1 2 454.615 4.755 20 0 JJADLO O=Cc1ccc(OCC(=O)N2CC[NH+](Cc3ccc(-c4cccc(Cl)c4)s3)CC2)cc1 ZINC001441118883 1066008922 /nfs/dbraw/zinc/00/89/22/1066008922.db2.gz PXJCEOCLUANWRB-UHFFFAOYSA-N 1 2 454.979 4.604 20 0 JJADLO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC001441312895 1066024742 /nfs/dbraw/zinc/02/47/42/1066024742.db2.gz AQOKOYQRGNZMAC-MBOZVWFJSA-N 1 2 468.013 4.816 20 0 JJADLO C[C@H](C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N(C(=O)OC(C)(C)C)C1CC1 ZINC001441313018 1066025394 /nfs/dbraw/zinc/02/53/94/1066025394.db2.gz CCNXNCWGFDKJQO-DNVCBOLYSA-N 1 2 453.986 4.520 20 0 JJADLO COc1cc(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)c(C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1OC ZINC001441321932 1066027902 /nfs/dbraw/zinc/02/79/02/1066027902.db2.gz LWFRUVDYDRISAB-WFXMLNOXSA-N 1 2 456.587 4.529 20 0 JJADLO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC(C)=C(C)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001360883480 1066037288 /nfs/dbraw/zinc/03/72/88/1066037288.db2.gz SZCKSWKCVQDORO-VXKWHMMOSA-N 1 2 488.076 4.956 20 0 JJADLO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC(C)=C(C)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001360883480 1066037300 /nfs/dbraw/zinc/03/73/00/1066037300.db2.gz SZCKSWKCVQDORO-VXKWHMMOSA-N 1 2 488.076 4.956 20 0 JJADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2ccc(N(C)C(=O)OC(C)(C)C)s2)C[C@H](C)O1 ZINC001441656370 1066058165 /nfs/dbraw/zinc/05/81/65/1066058165.db2.gz DMWLQBNWVSMJGH-CALCHBBNSA-N 1 2 459.612 4.981 20 0 JJADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2ccc(N(C)C(=O)OC(C)(C)C)s2)C[C@H](C)O1 ZINC001441656370 1066058171 /nfs/dbraw/zinc/05/81/71/1066058171.db2.gz DMWLQBNWVSMJGH-CALCHBBNSA-N 1 2 459.612 4.981 20 0 JJADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(N(C)C(=O)OC(C)(C)C)s2)C[C@H](C)O1 ZINC001441656375 1066058224 /nfs/dbraw/zinc/05/82/24/1066058224.db2.gz DMWLQBNWVSMJGH-IRXDYDNUSA-N 1 2 459.612 4.981 20 0 JJADLO CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC001442229623 1066105159 /nfs/dbraw/zinc/10/51/59/1066105159.db2.gz CALXTJPIMCZUQC-FQEVSTJZSA-N 1 2 451.468 4.777 20 0 JJADLO C[C@@H](NC(=O)c1sc(-c2ccccc2)nc1C(F)F)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001360963236 1066122675 /nfs/dbraw/zinc/12/26/75/1066122675.db2.gz CIVBWFQPSMBPDN-VQIMIIECSA-N 1 2 457.546 4.767 20 0 JJADLO C[C@@H](NC(=O)c1sc(-c2ccccc2)nc1C(F)F)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001360963236 1066122679 /nfs/dbraw/zinc/12/26/79/1066122679.db2.gz CIVBWFQPSMBPDN-VQIMIIECSA-N 1 2 457.546 4.767 20 0 JJADLO COc1c(C)c[nH+]c(CNC(=O)c2cccnc2Sc2ccc(Br)cc2)c1C ZINC001442663165 1066148882 /nfs/dbraw/zinc/14/88/82/1066148882.db2.gz UQSOUZQAESQETE-UHFFFAOYSA-N 1 2 458.381 4.946 20 0 JJADLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NC1(c2cccc(Br)c2)CCOCC1 ZINC001442719802 1066155337 /nfs/dbraw/zinc/15/53/37/1066155337.db2.gz HBOSQDWXIXNJHY-FQEVSTJZSA-N 1 2 454.368 4.516 20 0 JJADLO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@H](C)[C@H]2C)n1C[C@H](C)[NH+]1CCOCC1 ZINC001360990008 1066164949 /nfs/dbraw/zinc/16/49/49/1066164949.db2.gz ONEOLCGSBNSWHS-VRXWPRPYSA-N 1 2 476.065 4.644 20 0 JJADLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC001443152708 1066274387 /nfs/dbraw/zinc/27/43/87/1066274387.db2.gz CFVJUGQOZGONHQ-KRWDZBQOSA-N 1 2 457.405 4.829 20 0 JJADLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC001443152708 1066274394 /nfs/dbraw/zinc/27/43/94/1066274394.db2.gz CFVJUGQOZGONHQ-KRWDZBQOSA-N 1 2 457.405 4.829 20 0 JJADLO O=Cc1ccc(-c2ccc(C(=O)NC[C@H]3CCCC[N@@H+]3Cc3cccc(Cl)c3)c(O)c2)o1 ZINC001443356977 1066299877 /nfs/dbraw/zinc/29/98/77/1066299877.db2.gz LEVHFHGXBDTBCP-HXUWFJFHSA-N 1 2 452.938 4.903 20 0 JJADLO O=Cc1ccc(-c2ccc(C(=O)NC[C@H]3CCCC[N@H+]3Cc3cccc(Cl)c3)c(O)c2)o1 ZINC001443356977 1066299888 /nfs/dbraw/zinc/29/98/88/1066299888.db2.gz LEVHFHGXBDTBCP-HXUWFJFHSA-N 1 2 452.938 4.903 20 0 JJADLO C[C@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC001454657003 1066316607 /nfs/dbraw/zinc/31/66/07/1066316607.db2.gz DHXZDYAAPNAALH-FXAWDEMLSA-N 1 2 453.384 4.776 20 0 JJADLO O=C(N1CC[NH+](Cc2ccc(O)cc2)CC1)C1(c2ccc(Br)cc2)CCCCC1 ZINC001454720687 1066326465 /nfs/dbraw/zinc/32/64/65/1066326465.db2.gz BQZZYOMTNLDEKP-UHFFFAOYSA-N 1 2 457.412 4.701 20 0 JJADLO O=C(Nc1ccccc1)Nc1cccc2c1CCN(C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)C2 ZINC001443540312 1066327130 /nfs/dbraw/zinc/32/71/30/1066327130.db2.gz JKGZRDIBWUOSQJ-HXUWFJFHSA-N 1 2 457.456 4.606 20 0 JJADLO CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC001443581823 1066331963 /nfs/dbraw/zinc/33/19/63/1066331963.db2.gz JXKXRNUNBHZXCS-GOSISDBHSA-N 1 2 458.484 4.826 20 0 JJADLO CCOCC[NH+]1CCN(C(=O)c2sc(-c3ccccc3)cc2OCc2ccccc2)CC1 ZINC001443600173 1066335114 /nfs/dbraw/zinc/33/51/14/1066335114.db2.gz GBEPVIPVLKENNZ-UHFFFAOYSA-N 1 2 450.604 4.788 20 0 JJADLO CCc1ccc(N(Cc2ccc(C)s2)C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)cc1 ZINC001443640327 1066343582 /nfs/dbraw/zinc/34/35/82/1066343582.db2.gz GFRCDQVZWKLIPP-QHCPKHFHSA-N 1 2 452.624 4.649 20 0 JJADLO CCc1ccc(N(Cc2ccc(C)s2)C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)cc1 ZINC001443640327 1066343596 /nfs/dbraw/zinc/34/35/96/1066343596.db2.gz GFRCDQVZWKLIPP-QHCPKHFHSA-N 1 2 452.624 4.649 20 0 JJADLO Cc1cc(N2CCN(c3nnc(-c4cccn4C)n3CCCC(C)(C)C)CC2)nc(C(C)C)[nH+]1 ZINC001361105673 1066355010 /nfs/dbraw/zinc/35/50/10/1066355010.db2.gz SIXVHOSXFPNXHF-UHFFFAOYSA-N 1 2 464.662 4.658 20 0 JJADLO Cc1cc(N2CCN(c3nnc(C(C)C)n3CCOc3ccc(Cl)cc3)CC2)nc(C(C)C)[nH+]1 ZINC001361105700 1066355207 /nfs/dbraw/zinc/35/52/07/1066355207.db2.gz TVVGXZLTMHEMDA-UHFFFAOYSA-N 1 2 484.048 4.682 20 0 JJADLO CC(C)(C)OC(=O)NC[C@@]1(C(C)(C)C)CCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC001455103602 1066361510 /nfs/dbraw/zinc/36/15/10/1066361510.db2.gz VKKZPFCYJLPRNL-FNZWTVRRSA-N 1 2 454.615 4.721 20 0 JJADLO CC(C)(C)OC(=O)NC[C@]1(C(C)(C)C)CCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC001455103620 1066361617 /nfs/dbraw/zinc/36/16/17/1066361617.db2.gz VKKZPFCYJLPRNL-RXFWQSSRSA-N 1 2 454.615 4.721 20 0 JJADLO CC(C)(C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)c1cccc(C(F)(F)F)n1 ZINC001443873644 1066379250 /nfs/dbraw/zinc/37/92/50/1066379250.db2.gz AFGBBDZDBLFMKY-MRXNPFEDSA-N 1 2 457.899 4.951 20 0 JJADLO CC(C)(C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)c1cccc(C(F)(F)F)n1 ZINC001443873644 1066379265 /nfs/dbraw/zinc/37/92/65/1066379265.db2.gz AFGBBDZDBLFMKY-MRXNPFEDSA-N 1 2 457.899 4.951 20 0 JJADLO Cc1ccc(C(C)C)c(OCc2nnc(N3C[C@H](C)OC(C)(C)C3)n2Cc2ccc(N(C)C)[nH+]c2)c1 ZINC001361125806 1066380223 /nfs/dbraw/zinc/38/02/23/1066380223.db2.gz DYDPQFWVUSFCHM-NRFANRHFSA-N 1 2 492.668 4.802 20 0 JJADLO O=C(Cc1ccc(Br)c(F)c1)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC001443884683 1066381221 /nfs/dbraw/zinc/38/12/21/1066381221.db2.gz LHDNARJHEFZRCW-MRXNPFEDSA-N 1 2 457.746 4.704 20 0 JJADLO O=C(Cc1ccc(Br)c(F)c1)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC001443884683 1066381238 /nfs/dbraw/zinc/38/12/38/1066381238.db2.gz LHDNARJHEFZRCW-MRXNPFEDSA-N 1 2 457.746 4.704 20 0 JJADLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2cc(NC(C)=O)cc(C(F)(F)F)c2)CC1 ZINC001455461404 1066393176 /nfs/dbraw/zinc/39/31/76/1066393176.db2.gz CTXWDQYBWDQSPW-NRFANRHFSA-N 1 2 451.464 4.712 20 0 JJADLO CC(C)(C)OC(=O)N1CC[NH+](Cc2ccc(CNC(=O)C34CCC(CC3)C4(C)C)cc2)CC1 ZINC001455646815 1066419127 /nfs/dbraw/zinc/41/91/27/1066419127.db2.gz QKGNXHFLXAGISK-UHFFFAOYSA-N 1 2 455.643 4.572 20 0 JJADLO C[C@@H](CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)C(=O)c1ccc(Cl)cc1 ZINC001455809962 1066435309 /nfs/dbraw/zinc/43/53/09/1066435309.db2.gz RLMCSMGAZSGEKC-CWFSZBLJSA-N 1 2 452.904 4.728 20 0 JJADLO C[C@@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)C(=O)c1ccc(Cl)cc1 ZINC001455809962 1066435318 /nfs/dbraw/zinc/43/53/18/1066435318.db2.gz RLMCSMGAZSGEKC-CWFSZBLJSA-N 1 2 452.904 4.728 20 0 JJADLO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[C@@H](Nc3cccc[nH+]3)CC1)C2 ZINC001455827927 1066439708 /nfs/dbraw/zinc/43/97/08/1066439708.db2.gz QHYKCFWOQRTDLX-UZINWLIJSA-N 1 2 456.631 4.692 20 0 JJADLO CC[C@H](CC(=O)N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1)c1ccc(OC)cc1 ZINC001444348657 1066453238 /nfs/dbraw/zinc/45/32/38/1066453238.db2.gz DGEKBPVDIGSQQI-LJQANCHMSA-N 1 2 455.002 4.615 20 0 JJADLO CC[C@H](CC(=O)N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1)c1ccc(OC)cc1 ZINC001444348657 1066453246 /nfs/dbraw/zinc/45/32/46/1066453246.db2.gz DGEKBPVDIGSQQI-LJQANCHMSA-N 1 2 455.002 4.615 20 0 JJADLO CCN(C(=O)c1cc(C(=O)c2ccccc2)c[nH]1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001444473050 1066463829 /nfs/dbraw/zinc/46/38/29/1066463829.db2.gz BFBAXLFRIYOIDW-UHFFFAOYSA-N 1 2 459.594 4.599 20 0 JJADLO CCCN(C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC001444509006 1066470267 /nfs/dbraw/zinc/47/02/67/1066470267.db2.gz PXFJLQXROMVVFY-FOIQADDNSA-N 1 2 453.414 4.790 20 0 JJADLO CCCN(C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC001444509006 1066470273 /nfs/dbraw/zinc/47/02/73/1066470273.db2.gz PXFJLQXROMVVFY-FOIQADDNSA-N 1 2 453.414 4.790 20 0 JJADLO Cc1ccc(-c2nnc(N(C)Cc3scnc3C)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)o1 ZINC001361178100 1066498160 /nfs/dbraw/zinc/49/81/60/1066498160.db2.gz ZWFLTCBGLUBQPJ-SFHVURJKSA-N 1 2 472.565 4.829 20 0 JJADLO O=C(NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)c1ccn(CCC(F)(F)F)n1 ZINC001456090483 1066507479 /nfs/dbraw/zinc/50/74/79/1066507479.db2.gz WEUMZROHOIHGRU-UHFFFAOYSA-N 1 2 453.468 4.677 20 0 JJADLO CC[C@]1(C)CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCNc2cccc[nH+]2)C1 ZINC001546079335 1066508207 /nfs/dbraw/zinc/50/82/07/1066508207.db2.gz KHANQXYHUCORCG-RXFWQSSRSA-N 1 2 483.661 4.874 20 0 JJADLO Cc1c(NC(=O)[C@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc(Br)cc1C(F)(F)F ZINC001456179390 1066530532 /nfs/dbraw/zinc/53/05/32/1066530532.db2.gz NLSKVXLGBFXKCG-JKDFXYPNSA-N 1 2 451.327 4.849 20 0 JJADLO Cc1c(NC(=O)[C@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc(Br)cc1C(F)(F)F ZINC001456179390 1066530539 /nfs/dbraw/zinc/53/05/39/1066530539.db2.gz NLSKVXLGBFXKCG-JKDFXYPNSA-N 1 2 451.327 4.849 20 0 JJADLO O=C(NCc1c(Cl)cc(Br)cc1Cl)[C@@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC001456200588 1066536439 /nfs/dbraw/zinc/53/64/39/1066536439.db2.gz YTSJUPREPLWYQC-SFHVURJKSA-N 1 2 457.199 4.822 20 0 JJADLO O=C(NCc1c(Cl)cc(Br)cc1Cl)[C@@H]1CCCC[N@H+]1Cc1ccncc1 ZINC001456200588 1066536450 /nfs/dbraw/zinc/53/64/50/1066536450.db2.gz YTSJUPREPLWYQC-SFHVURJKSA-N 1 2 457.199 4.822 20 0 JJADLO COc1cccc([C@H](NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)c2cc(F)ccc2OC)c1 ZINC001445399674 1066567191 /nfs/dbraw/zinc/56/71/91/1066567191.db2.gz YWJMFOHNYAMIOZ-NVQXNPDNSA-N 1 2 459.521 4.994 20 0 JJADLO O=C(CS[C@H](c1ccccc1)c1ccc(Cl)cc1)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC001445526740 1066582509 /nfs/dbraw/zinc/58/25/09/1066582509.db2.gz MRRODZSMOKQDHJ-JBRSBNLGSA-N 1 2 459.055 4.922 20 0 JJADLO COc1ccc(C2(CNC(=O)Cn3c(C)[nH+]c4cc(F)c(F)cc43)CCCCC2)cc1OC ZINC001456448438 1066589151 /nfs/dbraw/zinc/58/91/51/1066589151.db2.gz OGSFGZOSXWJOBZ-UHFFFAOYSA-N 1 2 457.521 4.658 20 0 JJADLO Cc1ccc(CN(C)c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[N@@H+]2CCOC[C@H]2C)s1 ZINC001361248254 1066591843 /nfs/dbraw/zinc/59/18/43/1066591843.db2.gz IOFOTZCCXJSYMK-KNQAVFIVSA-N 1 2 483.682 4.762 20 0 JJADLO Cc1ccc(CN(C)c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[N@H+]2CCOC[C@H]2C)s1 ZINC001361248254 1066591852 /nfs/dbraw/zinc/59/18/52/1066591852.db2.gz IOFOTZCCXJSYMK-KNQAVFIVSA-N 1 2 483.682 4.762 20 0 JJADLO Cc1ccc(NC(=O)c2cccnc2N2CC[NH+](Cc3cccc(Cl)c3)CC2)c(C)c1O ZINC001445783339 1066616771 /nfs/dbraw/zinc/61/67/71/1066616771.db2.gz YLPMIYVISMGKGD-UHFFFAOYSA-N 1 2 450.970 4.632 20 0 JJADLO Cc1cn2c([nH+]1)[C@@H](Cn1c(CC(C)(C)C)nnc1N(C)CCCOc1ccc(F)cc1)CCC2 ZINC001492628292 1066699091 /nfs/dbraw/zinc/69/90/91/1066699091.db2.gz CKKMGVKWTBVBTQ-HXUWFJFHSA-N 1 2 468.621 4.994 20 0 JJADLO Cc1cn2c([nH+]1)[C@@H](Cn1c(-c3ccc(C(C)(C)C)cc3)nnc1N(C)CCCCCO)CCC2 ZINC001492628617 1066700087 /nfs/dbraw/zinc/70/00/87/1066700087.db2.gz IIZNZSQGQPNVEJ-JOCHJYFZSA-N 1 2 464.658 4.924 20 0 JJADLO Cc1cn2c([nH+]1)[C@@H](Cn1c(CC(C)C)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1)CCC2 ZINC001492628837 1066700225 /nfs/dbraw/zinc/70/02/25/1066700225.db2.gz NZDGAFGKQPNZGV-IFMALSPDSA-N 1 2 499.704 4.689 20 0 JJADLO O=C(C[C@@H](O)c1cccc(F)c1)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC001446525043 1066715369 /nfs/dbraw/zinc/71/53/69/1066715369.db2.gz ACUALAZNIKNWPL-RSXGOPAZSA-N 1 2 452.957 4.836 20 0 JJADLO CC(C)(C)C(=O)NCCCC(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC001446527628 1066716101 /nfs/dbraw/zinc/71/61/01/1066716101.db2.gz LFHGCTFGEWHNEO-DEOSSOPVSA-N 1 2 456.030 4.516 20 0 JJADLO Cc1cc(Br)cc(Cl)c1C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC001456917688 1066721171 /nfs/dbraw/zinc/72/11/71/1066721171.db2.gz QBKRRYGLXQMFOV-UHFFFAOYSA-N 1 2 450.808 4.876 20 0 JJADLO CC[C@H](C(=O)N(Cc1ccccc1)Cc1ccc(Br)cc1)[N@@H+]1CCO[C@@H](CC)C1 ZINC001447035109 1066768680 /nfs/dbraw/zinc/76/86/80/1066768680.db2.gz XYJDHSQGHKYDFU-XZOQPEGZSA-N 1 2 459.428 4.867 20 0 JJADLO CC[C@H](C(=O)N(Cc1ccccc1)Cc1ccc(Br)cc1)[N@H+]1CCO[C@@H](CC)C1 ZINC001447035109 1066768686 /nfs/dbraw/zinc/76/86/86/1066768686.db2.gz XYJDHSQGHKYDFU-XZOQPEGZSA-N 1 2 459.428 4.867 20 0 JJADLO Cc1nc(Cc2nnc(N3CC[NH+](Cc4cccc(Cl)c4)CC3)n2CCC(C)C)cs1 ZINC001492681302 1066823599 /nfs/dbraw/zinc/82/35/99/1066823599.db2.gz RVVUKRJLSCFFIY-UHFFFAOYSA-N 1 2 459.063 4.656 20 0 JJADLO CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC001457506221 1066846077 /nfs/dbraw/zinc/84/60/77/1066846077.db2.gz WWUKCUYCRUPZCV-NRFANRHFSA-N 1 2 458.628 4.655 20 0 JJADLO Cc1ncc(CN(C)c2nnc(-c3cccc(Cl)c3)n2CCCNc2cccc[nH+]2)s1 ZINC001492696510 1066847124 /nfs/dbraw/zinc/84/71/24/1066847124.db2.gz OTNDWUIGTBQWIE-UHFFFAOYSA-N 1 2 454.003 4.897 20 0 JJADLO Cc1ccc(-n2nc(Br)cc2C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001457709284 1066901189 /nfs/dbraw/zinc/90/11/89/1066901189.db2.gz IRHLUMFHSQWIQM-INIZCTEOSA-N 1 2 450.340 4.620 20 0 JJADLO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3ccco3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)n1 ZINC001492732121 1066903734 /nfs/dbraw/zinc/90/37/34/1066903734.db2.gz JMEJGUBUEDFLHC-RXVVDRJESA-N 1 2 483.567 4.511 20 0 JJADLO Cc1nnc(N2CCC(OC3CCC(C)CC3)CC2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001492821318 1066954857 /nfs/dbraw/zinc/95/48/57/1066954857.db2.gz QUYUMQVRGMLZHM-MCSCQSGASA-N 1 2 461.601 4.732 20 0 JJADLO CC[C@H](c1nnc(N(C)CC(C)C)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1)c1ccccc1 ZINC001545722032 1066976998 /nfs/dbraw/zinc/97/69/98/1066976998.db2.gz MEEFUHJQGMPINW-URXFXBBRSA-N 1 2 462.642 4.581 20 0 JJADLO CCn1nc(C)c(CC(=O)N2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1C ZINC001546011409 1066982007 /nfs/dbraw/zinc/98/20/07/1066982007.db2.gz FQFOREWGLKPWFQ-AREMUKBSSA-N 1 2 451.014 4.650 20 0 JJADLO Cc1cc(I)cc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC001449099871 1066982299 /nfs/dbraw/zinc/98/22/99/1066982299.db2.gz PBRGGPSTONICNW-LJQANCHMSA-N 1 2 452.311 4.732 20 0 JJADLO Cc1cc(I)cc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC001449099871 1066982311 /nfs/dbraw/zinc/98/23/11/1066982311.db2.gz PBRGGPSTONICNW-LJQANCHMSA-N 1 2 452.311 4.732 20 0 JJADLO CCc1nc2ccc(C(=O)N3CC[N@@H+](Cc4ccc(C)nc4)C[C@@H]3[C@H](C)CC)cc2nc1CC ZINC001458152130 1066989147 /nfs/dbraw/zinc/98/91/47/1066989147.db2.gz GHFOLHJEFWXAGQ-XHCCPWGMSA-N 1 2 459.638 4.831 20 0 JJADLO CCc1nc2ccc(C(=O)N3CC[N@H+](Cc4ccc(C)nc4)C[C@@H]3[C@H](C)CC)cc2nc1CC ZINC001458152130 1066989151 /nfs/dbraw/zinc/98/91/51/1066989151.db2.gz GHFOLHJEFWXAGQ-XHCCPWGMSA-N 1 2 459.638 4.831 20 0 JJADLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(OC(F)(F)Cl)cc1 ZINC001458151377 1066989351 /nfs/dbraw/zinc/98/93/51/1066989351.db2.gz DQNYYODBRDRMFM-IERDGZPVSA-N 1 2 451.945 4.931 20 0 JJADLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(OC(F)(F)Cl)cc1 ZINC001458151377 1066989360 /nfs/dbraw/zinc/98/93/60/1066989360.db2.gz DQNYYODBRDRMFM-IERDGZPVSA-N 1 2 451.945 4.931 20 0 JJADLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(OCc2ccccc2)nc1 ZINC001458153643 1066989747 /nfs/dbraw/zinc/98/97/47/1066989747.db2.gz KCAUBXKQVHGFPI-RLWLMLJZSA-N 1 2 458.606 4.737 20 0 JJADLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(OCc2ccccc2)nc1 ZINC001458153643 1066989757 /nfs/dbraw/zinc/98/97/57/1066989757.db2.gz KCAUBXKQVHGFPI-RLWLMLJZSA-N 1 2 458.606 4.737 20 0 JJADLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(OCc2ccccc2)nc1 ZINC001458153639 1066989829 /nfs/dbraw/zinc/98/98/29/1066989829.db2.gz KCAUBXKQVHGFPI-HFZDXXHNSA-N 1 2 458.606 4.737 20 0 JJADLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(OCc2ccccc2)nc1 ZINC001458153639 1066989836 /nfs/dbraw/zinc/98/98/36/1066989836.db2.gz KCAUBXKQVHGFPI-HFZDXXHNSA-N 1 2 458.606 4.737 20 0 JJADLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cnc(OCC(C)C)c(Cl)c1 ZINC001458155705 1066990722 /nfs/dbraw/zinc/99/07/22/1066990722.db2.gz RDLBXPOKSHERPT-JPYJTQIMSA-N 1 2 459.034 4.846 20 0 JJADLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cnc(OCC(C)C)c(Cl)c1 ZINC001458155705 1066990729 /nfs/dbraw/zinc/99/07/29/1066990729.db2.gz RDLBXPOKSHERPT-JPYJTQIMSA-N 1 2 459.034 4.846 20 0 JJADLO O=C(Cc1cc(Cl)ccc1Cl)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC001449313216 1066998398 /nfs/dbraw/zinc/99/83/98/1066998398.db2.gz TXBYUPBNVGWFET-UHFFFAOYSA-N 1 2 457.155 4.817 20 0 JJADLO O=C(CCCC(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br)c1ccccc1 ZINC001449366409 1067004937 /nfs/dbraw/zinc/00/49/37/1067004937.db2.gz DALGMKPTIOBODX-UHFFFAOYSA-N 1 2 454.368 4.728 20 0 JJADLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)c2ccc(Br)cc2Cl)c2ccc(Cl)cc2)C1 ZINC001458451364 1067065825 /nfs/dbraw/zinc/06/58/25/1067065825.db2.gz HFEFGVSNKZCZMH-ROUUACIJSA-N 1 2 458.183 4.558 20 0 JJADLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)c2ccc(Br)cc2Cl)c2ccc(Cl)cc2)C1 ZINC001458451364 1067065837 /nfs/dbraw/zinc/06/58/37/1067065837.db2.gz HFEFGVSNKZCZMH-ROUUACIJSA-N 1 2 458.183 4.558 20 0 JJADLO CCC(O)(CC)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001546026410 1067125686 /nfs/dbraw/zinc/12/56/86/1067125686.db2.gz NXMKNHDXOHEFST-UHFFFAOYSA-N 1 2 489.451 4.827 20 0 JJADLO CCC1(CC)CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2c[nH+]ccc2OC)C1 ZINC001546103403 1067139018 /nfs/dbraw/zinc/13/90/18/1067139018.db2.gz JGXZDVVDTATOLY-UHFFFAOYSA-N 1 2 462.598 4.616 20 0 JJADLO CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2cc(F)ccc2F)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001545826669 1067175668 /nfs/dbraw/zinc/17/56/68/1067175668.db2.gz ROCRNHDGAUIIIU-MSOLQXFVSA-N 1 2 499.610 4.755 20 0 JJADLO Cc1cc(CNC(=O)c2cc(S(=O)(=O)Nc3ccc(C)c(C)c3)ccc2Cl)cc(C)[nH+]1 ZINC001451727245 1067188516 /nfs/dbraw/zinc/18/85/16/1067188516.db2.gz OCJCBMLHZHFYFL-UHFFFAOYSA-N 1 2 457.983 4.699 20 0 JJADLO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@@H]3CCCC[C@H]32)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001545849824 1067204195 /nfs/dbraw/zinc/20/41/95/1067204195.db2.gz VMKCWOPIULBSIQ-AJSBUHFISA-N 1 2 481.689 4.501 20 0 JJADLO CC(C)(C)OC(=O)NCC[N@H+](CC(=O)NCc1ccc(C2CCC2)cc1)Cc1ccccc1 ZINC001458970313 1067213194 /nfs/dbraw/zinc/21/31/94/1067213194.db2.gz XCUZUECUKCBWCH-UHFFFAOYSA-N 1 2 451.611 4.597 20 0 JJADLO CC(C)(C)OC(=O)NCC[N@@H+](CC(=O)NCc1ccc(C2CCC2)cc1)Cc1ccccc1 ZINC001458970313 1067213203 /nfs/dbraw/zinc/21/32/03/1067213203.db2.gz XCUZUECUKCBWCH-UHFFFAOYSA-N 1 2 451.611 4.597 20 0 JJADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)CSc2nccn2-c2ccc(C)c(C)c2)c(C)c1 ZINC001546037365 1067217387 /nfs/dbraw/zinc/21/73/87/1067217387.db2.gz CCCDOBBWVPDWMK-DEOSSOPVSA-N 1 2 459.619 4.952 20 0 JJADLO COc1ccc2oc(C)c(C(=O)Nc3ccc(N4CC[NH+](C)CC4)c(Br)c3)c2c1 ZINC001459041749 1067237277 /nfs/dbraw/zinc/23/72/77/1067237277.db2.gz FJHBWTUABFGVRO-UHFFFAOYSA-N 1 2 458.356 4.516 20 0 JJADLO O=C(NCCc1ccc(F)cc1)[C@@H]1Cc2ccccc2C[N@@H+]1CCCc1c(F)cccc1F ZINC001459311316 1067291103 /nfs/dbraw/zinc/29/11/03/1067291103.db2.gz RXWPZKFADNZZMU-SANMLTNESA-N 1 2 452.520 4.822 20 0 JJADLO O=C(NCCc1ccc(F)cc1)[C@@H]1Cc2ccccc2C[N@H+]1CCCc1c(F)cccc1F ZINC001459311316 1067291109 /nfs/dbraw/zinc/29/11/09/1067291109.db2.gz RXWPZKFADNZZMU-SANMLTNESA-N 1 2 452.520 4.822 20 0 JJADLO CN(C(=O)C[NH+]1CCC(Oc2ccccc2)CC1)[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC001459356721 1067302193 /nfs/dbraw/zinc/30/21/93/1067302193.db2.gz KOXQOIFTEUMGEY-AREMUKBSSA-N 1 2 454.998 4.680 20 0 JJADLO CCC1(CC)CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001546108452 1067309090 /nfs/dbraw/zinc/30/90/90/1067309090.db2.gz BQLPFOKFCFTOEL-RXVVDRJESA-N 1 2 461.601 4.770 20 0 JJADLO O=C(C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC001459390224 1067311548 /nfs/dbraw/zinc/31/15/48/1067311548.db2.gz HSUXSONQRDPOTO-NRFANRHFSA-N 1 2 457.546 4.632 20 0 JJADLO O=C(C[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC001459390224 1067311562 /nfs/dbraw/zinc/31/15/62/1067311562.db2.gz HSUXSONQRDPOTO-NRFANRHFSA-N 1 2 457.546 4.632 20 0 JJADLO Cc1cc(C[N@H+]2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)c(C)cc1I ZINC001459401984 1067314373 /nfs/dbraw/zinc/31/43/73/1067314373.db2.gz BVVNSUOPTDZOFI-KRWDZBQOSA-N 1 2 458.384 4.739 20 0 JJADLO Cc1cc(C[N@@H+]2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)c(C)cc1I ZINC001459401984 1067314388 /nfs/dbraw/zinc/31/43/88/1067314388.db2.gz BVVNSUOPTDZOFI-KRWDZBQOSA-N 1 2 458.384 4.739 20 0 JJADLO COC(=O)c1ccc(Br)c(C[N@@H+]2CCCC[C@H]2[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC001459412940 1067317461 /nfs/dbraw/zinc/31/74/61/1067317461.db2.gz CLXZBGFFHVXNJX-KSSFIOAISA-N 1 2 455.393 4.503 20 0 JJADLO COC(=O)c1ccc(Br)c(C[N@H+]2CCCC[C@H]2[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC001459412940 1067317473 /nfs/dbraw/zinc/31/74/73/1067317473.db2.gz CLXZBGFFHVXNJX-KSSFIOAISA-N 1 2 455.393 4.503 20 0 JJADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)CCOc2cc(Cl)cc(Cl)c2)[C@@H](C)C1 ZINC001459414698 1067318328 /nfs/dbraw/zinc/31/83/28/1067318328.db2.gz QILDEFJREVQREF-KRWDZBQOSA-N 1 2 451.394 4.894 20 0 JJADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)CCOc2cc(Cl)cc(Cl)c2)[C@@H](C)C1 ZINC001459414698 1067318343 /nfs/dbraw/zinc/31/83/43/1067318343.db2.gz QILDEFJREVQREF-KRWDZBQOSA-N 1 2 451.394 4.894 20 0 JJADLO CC[C@]1(C)CC[C@H](Cn2c(CC(C)(C)C)nnc2N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)O1 ZINC001546053422 1067318787 /nfs/dbraw/zinc/31/87/87/1067318787.db2.gz AKWNTUURMLWKLE-IPVFLDMMSA-N 1 2 489.730 4.786 20 0 JJADLO O=C1Nc2ccccc2[C@@H]1C1CC[NH+](Cc2cccc(Br)c2OC(F)F)CC1 ZINC001459417415 1067318898 /nfs/dbraw/zinc/31/88/98/1067318898.db2.gz KZPQSEVYHCYABZ-SFHVURJKSA-N 1 2 451.311 4.998 20 0 JJADLO C[N@H+](Cc1cc(Br)ccc1F)[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC001459417825 1067319387 /nfs/dbraw/zinc/31/93/87/1067319387.db2.gz YMMWOVLQSWWKED-SFHVURJKSA-N 1 2 457.290 4.817 20 0 JJADLO C[N@@H+](Cc1cc(Br)ccc1F)[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC001459417825 1067319398 /nfs/dbraw/zinc/31/93/98/1067319398.db2.gz YMMWOVLQSWWKED-SFHVURJKSA-N 1 2 457.290 4.817 20 0 JJADLO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1 ZINC001459454968 1067327426 /nfs/dbraw/zinc/32/74/26/1067327426.db2.gz KPKJHQWINLWEKK-UHFFFAOYSA-N 1 2 450.604 4.552 20 0 JJADLO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1 ZINC001459454968 1067327436 /nfs/dbraw/zinc/32/74/36/1067327436.db2.gz KPKJHQWINLWEKK-UHFFFAOYSA-N 1 2 450.604 4.552 20 0 JJADLO O[C@H]([C@H]1CCC[N@@H+]1Cc1nnc(-c2ccc3cc(Br)ccc3c2)o1)C(F)(F)F ZINC001459455878 1067328082 /nfs/dbraw/zinc/32/80/82/1067328082.db2.gz MRFVYZSYRBKYPO-NVXWUHKLSA-N 1 2 456.262 4.540 20 0 JJADLO O[C@H]([C@H]1CCC[N@H+]1Cc1nnc(-c2ccc3cc(Br)ccc3c2)o1)C(F)(F)F ZINC001459455878 1067328094 /nfs/dbraw/zinc/32/80/94/1067328094.db2.gz MRFVYZSYRBKYPO-NVXWUHKLSA-N 1 2 456.262 4.540 20 0 JJADLO CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC001459455923 1067328198 /nfs/dbraw/zinc/32/81/98/1067328198.db2.gz TVQHBGMXFLVIRJ-GOSISDBHSA-N 1 2 456.612 4.568 20 0 JJADLO CC[C@]1(C)CC[C@H](Cn2c(CC(C)C)nnc2N2CC[NH+](CCOc3ccccc3Cl)CC2)O1 ZINC001546055214 1067331107 /nfs/dbraw/zinc/33/11/07/1067331107.db2.gz YCUTVFDWXCGYNP-QFQXNSOFSA-N 1 2 490.092 4.679 20 0 JJADLO Cc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)s1 ZINC001459472458 1067333795 /nfs/dbraw/zinc/33/37/95/1067333795.db2.gz BGWIEELNQWCINA-GOSISDBHSA-N 1 2 450.608 4.630 20 0 JJADLO Cc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)s1 ZINC001459472458 1067333807 /nfs/dbraw/zinc/33/38/07/1067333807.db2.gz BGWIEELNQWCINA-GOSISDBHSA-N 1 2 450.608 4.630 20 0 JJADLO CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(Cc2ncsc2Br)CC1 ZINC001459471795 1067333835 /nfs/dbraw/zinc/33/38/35/1067333835.db2.gz XHENTPOIPNRPLX-INIZCTEOSA-N 1 2 459.251 4.937 20 0 JJADLO O=C(Cc1ccc(Br)cc1)Nc1ccsc1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC001453886031 1067334079 /nfs/dbraw/zinc/33/40/79/1067334079.db2.gz UKOANOPSYQEMOW-UHFFFAOYSA-N 1 2 455.337 4.592 20 0 JJADLO CCc1ccccc1O[C@@H](C)C(=O)N1CC[NH+](CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC001459485519 1067336556 /nfs/dbraw/zinc/33/65/56/1067336556.db2.gz MDQUDNVLSLSNQD-KRWDZBQOSA-N 1 2 451.394 4.546 20 0 JJADLO COC(=O)c1ccc(F)c(C[NH+]2CCN(c3cccc(OCc4ccc(F)cc4)c3)CC2)c1 ZINC001459506070 1067340041 /nfs/dbraw/zinc/34/00/41/1067340041.db2.gz YPOCPDRAHRJFGK-UHFFFAOYSA-N 1 2 452.501 4.653 20 0 JJADLO C[C@@H](c1nc(-c2cccs2)no1)N1CC[NH+](Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC001459505937 1067340213 /nfs/dbraw/zinc/34/02/13/1067340213.db2.gz XRJJEWFQFJYBSU-HNNXBMFYSA-N 1 2 452.502 4.618 20 0 JJADLO CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)C[N@@H+]1CCCOC(C)(C)C1 ZINC001459506475 1067340296 /nfs/dbraw/zinc/34/02/96/1067340296.db2.gz AGXGRMGNEHCDDL-UHFFFAOYSA-N 1 2 450.988 4.685 20 0 JJADLO CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)C[N@H+]1CCCOC(C)(C)C1 ZINC001459506475 1067340304 /nfs/dbraw/zinc/34/03/04/1067340304.db2.gz AGXGRMGNEHCDDL-UHFFFAOYSA-N 1 2 450.988 4.685 20 0 JJADLO CCc1ccc(Cl)c(CC)c1NC(=O)CCC[N@@H+]1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC001459517107 1067343144 /nfs/dbraw/zinc/34/31/44/1067343144.db2.gz CRYYWCJRJGVUNC-UHFFFAOYSA-N 1 2 459.993 4.667 20 0 JJADLO CCc1ccc(Cl)c(CC)c1NC(=O)CCC[N@H+]1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC001459517107 1067343158 /nfs/dbraw/zinc/34/31/58/1067343158.db2.gz CRYYWCJRJGVUNC-UHFFFAOYSA-N 1 2 459.993 4.667 20 0 JJADLO Cc1cc(C[N@H+](CC(N)=O)Cc2ccc(OCc3ccccc3)cc2)ccc1Br ZINC001459678909 1067381562 /nfs/dbraw/zinc/38/15/62/1067381562.db2.gz XTUUBJFKKAYHLF-UHFFFAOYSA-N 1 2 453.380 4.824 20 0 JJADLO Cc1cc(C[N@@H+](CC(N)=O)Cc2ccc(OCc3ccccc3)cc2)ccc1Br ZINC001459678909 1067381572 /nfs/dbraw/zinc/38/15/72/1067381572.db2.gz XTUUBJFKKAYHLF-UHFFFAOYSA-N 1 2 453.380 4.824 20 0 JJADLO CCC1(CC)CCN(c2nnc(Cc3cccnc3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001546111107 1067382318 /nfs/dbraw/zinc/38/23/18/1067382318.db2.gz YWTJMQJVBAQOSE-JOCHJYFZSA-N 1 2 468.596 4.862 20 0 JJADLO Cc1cc(I)ccc1NC(=O)C[N@@H+]1[C@H](C)Cc2cc(F)ccc2[C@H]1C ZINC001459774700 1067416777 /nfs/dbraw/zinc/41/67/77/1067416777.db2.gz JUKLTIHLQXEFRB-ZIAGYGMSSA-N 1 2 452.311 4.685 20 0 JJADLO Cc1cc(I)ccc1NC(=O)C[N@H+]1[C@H](C)Cc2cc(F)ccc2[C@H]1C ZINC001459774700 1067416779 /nfs/dbraw/zinc/41/67/79/1067416779.db2.gz JUKLTIHLQXEFRB-ZIAGYGMSSA-N 1 2 452.311 4.685 20 0 JJADLO CCOc1ccc([C@H](C)NC(=O)C[NH2+][C@H](c2cccc(Cl)c2)c2ccccn2)cc1OC ZINC001459798452 1067428709 /nfs/dbraw/zinc/42/87/09/1067428709.db2.gz RPOSUWCSXKTAGW-SSOJOUAXSA-N 1 2 453.970 4.699 20 0 JJADLO Cc1ccc([C@H](CN2CCOCC2)[NH2+]Cc2ncc(-c3ccc(Br)cc3)o2)cc1 ZINC001459860932 1067461366 /nfs/dbraw/zinc/46/13/66/1067461366.db2.gz FKNSHUIMPYKGFU-NRFANRHFSA-N 1 2 456.384 4.576 20 0 JJADLO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC001459871922 1067467885 /nfs/dbraw/zinc/46/78/85/1067467885.db2.gz CKWCHESEUFGJNQ-SFHVURJKSA-N 1 2 457.640 4.925 20 0 JJADLO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC001459871922 1067467892 /nfs/dbraw/zinc/46/78/92/1067467892.db2.gz CKWCHESEUFGJNQ-SFHVURJKSA-N 1 2 457.640 4.925 20 0 JJADLO COc1ccc(-c2csc(NC(=O)C[N@H+](C)Cc3cccc(OC(C)C)c3)n2)c(OC)c1 ZINC001459882258 1067471786 /nfs/dbraw/zinc/47/17/86/1067471786.db2.gz MUHOGPBZAUXFLT-UHFFFAOYSA-N 1 2 455.580 4.685 20 0 JJADLO COc1ccc(-c2csc(NC(=O)C[N@@H+](C)Cc3cccc(OC(C)C)c3)n2)c(OC)c1 ZINC001459882258 1067471791 /nfs/dbraw/zinc/47/17/91/1067471791.db2.gz MUHOGPBZAUXFLT-UHFFFAOYSA-N 1 2 455.580 4.685 20 0 JJADLO COC(=O)C1([NH2+]C[C@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CCCC1 ZINC001459890466 1067475329 /nfs/dbraw/zinc/47/53/29/1067475329.db2.gz CQCNPNSCPKONPA-FQEVSTJZSA-N 1 2 452.378 4.536 20 0 JJADLO COc1ccc(NC(=O)c2c(NC(=O)C[N@@H+]3CCCC(C)(C)C3)sc3c2CCCC3)cc1 ZINC001459951111 1067504236 /nfs/dbraw/zinc/50/42/36/1067504236.db2.gz SQBACLXJNHUZNA-UHFFFAOYSA-N 1 2 455.624 4.948 20 0 JJADLO COc1ccc(NC(=O)c2c(NC(=O)C[N@H+]3CCCC(C)(C)C3)sc3c2CCCC3)cc1 ZINC001459951111 1067504241 /nfs/dbraw/zinc/50/42/41/1067504241.db2.gz SQBACLXJNHUZNA-UHFFFAOYSA-N 1 2 455.624 4.948 20 0 JJADLO COc1ccc(-c2cc3[nH]c(CN(C)C(C)(C)C[NH+]4CCCCCC4)nc(=O)c3s2)cc1 ZINC001459982934 1067515358 /nfs/dbraw/zinc/51/53/58/1067515358.db2.gz HSWRYULSTBGQJK-UHFFFAOYSA-N 1 2 454.640 4.747 20 0 JJADLO Cc1ccc(C[N@H+](CCCn2c(=O)[nH]c3ccccc32)C[C@H]2CCCO2)c(Br)c1 ZINC001460031981 1067534365 /nfs/dbraw/zinc/53/43/65/1067534365.db2.gz DKZXCCQOBPATQO-LJQANCHMSA-N 1 2 458.400 4.884 20 0 JJADLO Cc1ccc(C[N@@H+](CCCn2c(=O)[nH]c3ccccc32)C[C@H]2CCCO2)c(Br)c1 ZINC001460031981 1067534375 /nfs/dbraw/zinc/53/43/75/1067534375.db2.gz DKZXCCQOBPATQO-LJQANCHMSA-N 1 2 458.400 4.884 20 0 JJADLO Cc1ccc([C@H]([NH2+]CC(=O)NCc2ccc(COc3ccccc3)cc2)c2ccccn2)cc1 ZINC001460053250 1067540256 /nfs/dbraw/zinc/54/02/56/1067540256.db2.gz GUXZYHSQRSRZHL-LJAQVGFWSA-N 1 2 451.570 4.964 20 0 JJADLO COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)cc1 ZINC001460066831 1067544150 /nfs/dbraw/zinc/54/41/50/1067544150.db2.gz TYMARJLKXBEGHJ-HOKHCIIBSA-N 1 2 454.636 4.640 20 0 JJADLO COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)cc1 ZINC001460066831 1067544158 /nfs/dbraw/zinc/54/41/58/1067544158.db2.gz TYMARJLKXBEGHJ-HOKHCIIBSA-N 1 2 454.636 4.640 20 0 JJADLO CCN(CC)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1ncc(-c2cccc(Br)c2)o1 ZINC001460068247 1067545281 /nfs/dbraw/zinc/54/52/81/1067545281.db2.gz KTDQSXGEJCGDCB-GOSISDBHSA-N 1 2 450.377 4.937 20 0 JJADLO CCN(CC)C(=O)OC[C@H]1CCCC[N@H+]1Cc1ncc(-c2cccc(Br)c2)o1 ZINC001460068247 1067545287 /nfs/dbraw/zinc/54/52/87/1067545287.db2.gz KTDQSXGEJCGDCB-GOSISDBHSA-N 1 2 450.377 4.937 20 0 JJADLO CCc1ccc(NC(=O)c2nnc(C[NH2+][C@@H]3C[C@H](OCc4ccccc4)C3(C)C)s2)cc1 ZINC001460128748 1067560866 /nfs/dbraw/zinc/56/08/66/1067560866.db2.gz YIAIUCGPUCNFIR-RTWAWAEBSA-N 1 2 450.608 4.826 20 0 JJADLO COc1ccc(OC)c(-c2csc(NC(=O)C[N@@H+]3Cc4cccc(C)c4CC3(C)C)n2)c1 ZINC001460139296 1067563215 /nfs/dbraw/zinc/56/32/15/1067563215.db2.gz KPBNMPGZJJLVDK-UHFFFAOYSA-N 1 2 451.592 4.911 20 0 JJADLO COc1ccc(OC)c(-c2csc(NC(=O)C[N@H+]3Cc4cccc(C)c4CC3(C)C)n2)c1 ZINC001460139296 1067563219 /nfs/dbraw/zinc/56/32/19/1067563219.db2.gz KPBNMPGZJJLVDK-UHFFFAOYSA-N 1 2 451.592 4.911 20 0 JJADLO CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c3ccccn3)C1)C[C@H](C)CC2 ZINC001460142280 1067563507 /nfs/dbraw/zinc/56/35/07/1067563507.db2.gz BCXBKZKMMOQOLG-SQNIBIBYSA-N 1 2 455.624 4.651 20 0 JJADLO CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](c3ccccn3)C1)C[C@H](C)CC2 ZINC001460142280 1067563511 /nfs/dbraw/zinc/56/35/11/1067563511.db2.gz BCXBKZKMMOQOLG-SQNIBIBYSA-N 1 2 455.624 4.651 20 0 JJADLO OC[C@@]1(Cc2ccccc2)CCC[N@H+](Cc2ccc(I)c(Cl)c2)C1 ZINC001460182531 1067573412 /nfs/dbraw/zinc/57/34/12/1067573412.db2.gz RODCJBYKECTLMJ-HXUWFJFHSA-N 1 2 455.767 4.762 20 0 JJADLO OC[C@@]1(Cc2ccccc2)CCC[N@@H+](Cc2ccc(I)c(Cl)c2)C1 ZINC001460182531 1067573417 /nfs/dbraw/zinc/57/34/17/1067573417.db2.gz RODCJBYKECTLMJ-HXUWFJFHSA-N 1 2 455.767 4.762 20 0 JJADLO OC[C@]1(Cc2ccc(F)cc2)CC[N@H+](Cc2ccc(I)c(Cl)c2)C1 ZINC001460189392 1067574879 /nfs/dbraw/zinc/57/48/79/1067574879.db2.gz YGCCKOIICUUMHJ-IBGZPJMESA-N 1 2 459.730 4.511 20 0 JJADLO OC[C@]1(Cc2ccc(F)cc2)CC[N@@H+](Cc2ccc(I)c(Cl)c2)C1 ZINC001460189392 1067574883 /nfs/dbraw/zinc/57/48/83/1067574883.db2.gz YGCCKOIICUUMHJ-IBGZPJMESA-N 1 2 459.730 4.511 20 0 JJADLO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCN(c2ccc(Cl)c(F)c2)C[C@@H]1C ZINC001460193459 1067576124 /nfs/dbraw/zinc/57/61/24/1067576124.db2.gz IWYQKFVAXFMKNL-KBPBESRZSA-N 1 2 454.771 4.779 20 0 JJADLO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CCN(c2ccc(Cl)c(F)c2)C[C@@H]1C ZINC001460193459 1067576134 /nfs/dbraw/zinc/57/61/34/1067576134.db2.gz IWYQKFVAXFMKNL-KBPBESRZSA-N 1 2 454.771 4.779 20 0 JJADLO CC(C)(C)OC(=O)N1CC[C@@H](C2CC[NH+](CC(=O)Nc3ccc(Cl)cc3Cl)CC2)C1 ZINC001460200785 1067577998 /nfs/dbraw/zinc/57/79/98/1067577998.db2.gz WFQAAUGTYQKGOH-MRXNPFEDSA-N 1 2 456.414 4.901 20 0 JJADLO C[N@@H+](CC(=O)Nc1ccccc1Oc1ccccc1)C[C@@H](O)c1ccccc1Br ZINC001460248125 1067591192 /nfs/dbraw/zinc/59/11/92/1067591192.db2.gz PAJJMBJJTHNLMG-OAQYLSRUSA-N 1 2 455.352 4.845 20 0 JJADLO C[N@H+](CC(=O)Nc1ccccc1Oc1ccccc1)C[C@@H](O)c1ccccc1Br ZINC001460248125 1067591195 /nfs/dbraw/zinc/59/11/95/1067591195.db2.gz PAJJMBJJTHNLMG-OAQYLSRUSA-N 1 2 455.352 4.845 20 0 JJADLO COC(=O)[C@@H]1C[N@H+](CC(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)C[C@H]1c1ccc(F)cc1F ZINC001460274281 1067595452 /nfs/dbraw/zinc/59/54/52/1067595452.db2.gz FMIFAVZVGFONNK-QZNHQXDQSA-N 1 2 476.539 4.586 20 0 JJADLO COC(=O)[C@@H]1C[N@@H+](CC(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)C[C@H]1c1ccc(F)cc1F ZINC001460274281 1067595455 /nfs/dbraw/zinc/59/54/55/1067595455.db2.gz FMIFAVZVGFONNK-QZNHQXDQSA-N 1 2 476.539 4.586 20 0 JJADLO Cc1cc(C)c(-c2csc(NC(=O)C[N@H+]3CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C3)n2)cc1C ZINC001460293177 1067599882 /nfs/dbraw/zinc/59/98/82/1067599882.db2.gz FGMMZWHGQZVRHN-FOIQADDNSA-N 1 2 457.640 4.974 20 0 JJADLO Cc1cc(C)c(-c2csc(NC(=O)C[N@@H+]3CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C3)n2)cc1C ZINC001460293177 1067599883 /nfs/dbraw/zinc/59/98/83/1067599883.db2.gz FGMMZWHGQZVRHN-FOIQADDNSA-N 1 2 457.640 4.974 20 0 JJADLO COc1ccc(OC)c(-c2csc(NC(=O)C[N@@H+]3CCc4ccc(F)cc4[C@@H](C)C3)n2)c1 ZINC001460337344 1067610821 /nfs/dbraw/zinc/61/08/21/1067610821.db2.gz WPMACJZDEBALMV-HNNXBMFYSA-N 1 2 455.555 4.567 20 0 JJADLO COc1ccc(OC)c(-c2csc(NC(=O)C[N@H+]3CCc4ccc(F)cc4[C@@H](C)C3)n2)c1 ZINC001460337344 1067610827 /nfs/dbraw/zinc/61/08/27/1067610827.db2.gz WPMACJZDEBALMV-HNNXBMFYSA-N 1 2 455.555 4.567 20 0 JJADLO C[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC001460341898 1067612593 /nfs/dbraw/zinc/61/25/93/1067612593.db2.gz SPOFCIINWCVWIN-IQMFZBJNSA-N 1 2 459.974 4.913 20 0 JJADLO C[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC001460341898 1067612595 /nfs/dbraw/zinc/61/25/95/1067612595.db2.gz SPOFCIINWCVWIN-IQMFZBJNSA-N 1 2 459.974 4.913 20 0 JJADLO CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC1=O ZINC001460344643 1067613315 /nfs/dbraw/zinc/61/33/15/1067613315.db2.gz QUSZLNFTHCMXHP-ROUUACIJSA-N 1 2 450.970 4.709 20 0 JJADLO COc1ccc([C@@H]2CC[N@H+](Cc3cc4ccccc4o3)C[C@@H]2NC(=O)C(F)(F)F)cc1F ZINC001460361933 1067618533 /nfs/dbraw/zinc/61/85/33/1067618533.db2.gz LVHOTKGIMZHWAW-HKUYNNGSSA-N 1 2 450.432 4.617 20 0 JJADLO COc1ccc([C@@H]2CC[N@@H+](Cc3cc4ccccc4o3)C[C@@H]2NC(=O)C(F)(F)F)cc1F ZINC001460361933 1067618539 /nfs/dbraw/zinc/61/85/39/1067618539.db2.gz LVHOTKGIMZHWAW-HKUYNNGSSA-N 1 2 450.432 4.617 20 0 JJADLO O[C@@H](COc1cc(Cl)cc(Cl)c1)C[NH+]1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC001460365598 1067619111 /nfs/dbraw/zinc/61/91/11/1067619111.db2.gz WCCPZVXPVPNYLK-MRXNPFEDSA-N 1 2 450.193 4.862 20 0 JJADLO CC1(C)C[C@H]([N@H+](CC(=O)Nc2c(F)cc(F)cc2Br)Cc2ccccc2)CO1 ZINC001460412605 1067630260 /nfs/dbraw/zinc/63/02/60/1067630260.db2.gz DLZRQFRQBSFPPX-INIZCTEOSA-N 1 2 453.327 4.736 20 0 JJADLO CC1(C)C[C@H]([N@@H+](CC(=O)Nc2c(F)cc(F)cc2Br)Cc2ccccc2)CO1 ZINC001460412605 1067630266 /nfs/dbraw/zinc/63/02/66/1067630266.db2.gz DLZRQFRQBSFPPX-INIZCTEOSA-N 1 2 453.327 4.736 20 0 JJADLO CCOCN(C(=O)C[N@@H+]1CC[C@@H](C)C[C@H]1CNC(=O)OC(C)(C)C)c1c(C)cccc1CC ZINC001460440700 1067635390 /nfs/dbraw/zinc/63/53/90/1067635390.db2.gz CTLOYYFCSKBJRJ-KNQAVFIVSA-N 1 2 461.647 4.510 20 0 JJADLO CCOCN(C(=O)C[N@H+]1CC[C@@H](C)C[C@H]1CNC(=O)OC(C)(C)C)c1c(C)cccc1CC ZINC001460440700 1067635392 /nfs/dbraw/zinc/63/53/92/1067635392.db2.gz CTLOYYFCSKBJRJ-KNQAVFIVSA-N 1 2 461.647 4.510 20 0 JJADLO COc1ccc([C@H]2CCCCCN2C(=O)C[NH2+][C@H](CO)c2cccc(Cl)c2Cl)cc1 ZINC001460472969 1067640524 /nfs/dbraw/zinc/64/05/24/1067640524.db2.gz RBTYJWZSIKGANP-NHCUHLMSSA-N 1 2 451.394 4.769 20 0 JJADLO CCC1(CC)CN(c2nnc(-c3ccccc3OC)n2CCCNc2cccc[nH+]2)CCS1 ZINC001546116530 1067640926 /nfs/dbraw/zinc/64/09/26/1067640926.db2.gz YNJSAZZVXDOWFM-UHFFFAOYSA-N 1 2 466.655 4.963 20 0 JJADLO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@@H+]1Cc2cnn(-c3ccccc3F)c2CC(C)(C)C1 ZINC001460530778 1067651716 /nfs/dbraw/zinc/65/17/16/1067651716.db2.gz HOGCHEQVDIOEMW-GOSISDBHSA-N 1 2 450.558 4.740 20 0 JJADLO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@H+]1Cc2cnn(-c3ccccc3F)c2CC(C)(C)C1 ZINC001460530778 1067651725 /nfs/dbraw/zinc/65/17/25/1067651725.db2.gz HOGCHEQVDIOEMW-GOSISDBHSA-N 1 2 450.558 4.740 20 0 JJADLO COC[C@@H](C)[N@H+](Cc1nc(Cc2cccc(Br)c2)no1)[C@@H]1CCc2ccccc21 ZINC001460571027 1067658153 /nfs/dbraw/zinc/65/81/53/1067658153.db2.gz AKBCQYVOHDUMHF-IIBYNOLFSA-N 1 2 456.384 4.947 20 0 JJADLO COC[C@@H](C)[N@@H+](Cc1nc(Cc2cccc(Br)c2)no1)[C@@H]1CCc2ccccc21 ZINC001460571027 1067658156 /nfs/dbraw/zinc/65/81/56/1067658156.db2.gz AKBCQYVOHDUMHF-IIBYNOLFSA-N 1 2 456.384 4.947 20 0 JJADLO CCOC(=O)[C@@H](Cc1cccc2ccccc21)[NH2+]CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001460596424 1067665008 /nfs/dbraw/zinc/66/50/08/1067665008.db2.gz NQGXUYQRBAUAHC-HYBUGGRVSA-N 1 2 454.611 4.941 20 0 JJADLO CCC1(CC)CN(c2nnc([C@H]3CCCOC3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)CCS1 ZINC001546117827 1067677975 /nfs/dbraw/zinc/67/79/75/1067677975.db2.gz QCBHXOYVGUFHTC-RXVVDRJESA-N 1 2 493.668 4.865 20 0 JJADLO CC(C)(C)OC(=O)Nc1ccc2c(c1)OCC[N@@H+](C[C@H](O)c1ccccc1C(F)(F)F)C2 ZINC001460674473 1067695981 /nfs/dbraw/zinc/69/59/81/1067695981.db2.gz HBBWWVAHQYHVJD-IBGZPJMESA-N 1 2 452.473 4.980 20 0 JJADLO CC(C)(C)OC(=O)Nc1ccc2c(c1)OCC[N@H+](C[C@H](O)c1ccccc1C(F)(F)F)C2 ZINC001460674473 1067695985 /nfs/dbraw/zinc/69/59/85/1067695985.db2.gz HBBWWVAHQYHVJD-IBGZPJMESA-N 1 2 452.473 4.980 20 0 JJADLO Cc1cc(C)c(C(=O)Nc2ccccc2OCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)s1 ZINC001460706219 1067705185 /nfs/dbraw/zinc/70/51/85/1067705185.db2.gz CJSMPLLGTBNCHQ-UHFFFAOYSA-N 1 2 459.612 4.549 20 0 JJADLO CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCCN2C(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC001460755253 1067716938 /nfs/dbraw/zinc/71/69/38/1067716938.db2.gz ANMWNXICNUFMCK-DHIUTWEWSA-N 1 2 452.599 4.573 20 0 JJADLO CC(C)(C)OC(=O)c1ccccc1OCC[N@@H+]1CCc2cc(F)c(Br)cc2C1 ZINC001460828234 1067730685 /nfs/dbraw/zinc/73/06/85/1067730685.db2.gz RRTWLDPSSCXXBY-UHFFFAOYSA-N 1 2 450.348 4.981 20 0 JJADLO CC(C)(C)OC(=O)c1ccccc1OCC[N@H+]1CCc2cc(F)c(Br)cc2C1 ZINC001460828234 1067730695 /nfs/dbraw/zinc/73/06/95/1067730695.db2.gz RRTWLDPSSCXXBY-UHFFFAOYSA-N 1 2 450.348 4.981 20 0 JJADLO FC(F)Oc1c(Br)cccc1C[N@@H+]1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC001460866618 1067737640 /nfs/dbraw/zinc/73/76/40/1067737640.db2.gz VUKCXLOAYMEXBM-LLVKDONJSA-N 1 2 452.221 4.849 20 0 JJADLO FC(F)Oc1c(Br)cccc1C[N@H+]1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC001460866618 1067737648 /nfs/dbraw/zinc/73/76/48/1067737648.db2.gz VUKCXLOAYMEXBM-LLVKDONJSA-N 1 2 452.221 4.849 20 0 JJADLO Cc1cc(C)c(CNC(=O)c2ccc3c(c2)C(=O)N(c2cc(Cl)ccc2Cl)C3=O)c[nH+]1 ZINC001460890361 1067744389 /nfs/dbraw/zinc/74/43/89/1067744389.db2.gz JSQZUIXGRATQOU-UHFFFAOYSA-N 1 2 454.313 4.736 20 0 JJADLO COC(=O)[C@@H](c1ccccc1Cl)[NH+]1CCC2(CCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC001460975292 1067754999 /nfs/dbraw/zinc/75/49/99/1067754999.db2.gz FYPAKMYCBAVVIM-YLJYHZDGSA-N 1 2 451.007 4.961 20 0 JJADLO CCOC(=O)c1c(NC(=O)[C@@H](C)[N@@H+]2CCc3cc(CC)ccc3C2)sc2c1CC[C@H](C)C2 ZINC001460979826 1067756157 /nfs/dbraw/zinc/75/61/57/1067756157.db2.gz VDSZDGAMLXFQPK-DLBZAZTESA-N 1 2 454.636 4.997 20 0 JJADLO CCOC(=O)c1c(NC(=O)[C@@H](C)[N@H+]2CCc3cc(CC)ccc3C2)sc2c1CC[C@H](C)C2 ZINC001460979826 1067756159 /nfs/dbraw/zinc/75/61/59/1067756159.db2.gz VDSZDGAMLXFQPK-DLBZAZTESA-N 1 2 454.636 4.997 20 0 JJADLO CC(C)c1nn(-c2ccc(Br)cc2)cc1CNc1ccc(N2CCOCC2)c[nH+]1 ZINC001461075473 1067776702 /nfs/dbraw/zinc/77/67/02/1067776702.db2.gz MNIPBRHMUZQKED-UHFFFAOYSA-N 1 2 456.388 4.602 20 0 JJADLO O=C([C@@H]1C[C@H]1c1cccc(Cl)c1)N(CCCn1cc[nH+]c1)c1ccc(Br)cn1 ZINC001461085452 1067778664 /nfs/dbraw/zinc/77/86/64/1067778664.db2.gz FPMXNZPIPNRIRY-RBUKOAKNSA-N 1 2 459.775 4.921 20 0 JJADLO O=C(c1ccccc1C(F)(F)F)N(CCCn1cc[nH+]c1)c1ccc(Br)cn1 ZINC001461087294 1067779513 /nfs/dbraw/zinc/77/95/13/1067779513.db2.gz NFWUWCYRXCCCDP-UHFFFAOYSA-N 1 2 453.262 4.797 20 0 JJADLO CC(C)COc1cccc(C(=O)N(CCCn2cc[nH+]c2)c2ccc(Br)cn2)c1 ZINC001461089904 1067779901 /nfs/dbraw/zinc/77/99/01/1067779901.db2.gz YOPIMGPJJJLEFO-UHFFFAOYSA-N 1 2 457.372 4.813 20 0 JJADLO CC(C)(C)Oc1cccc(C(=O)N(CCCn2cc[nH+]c2)c2ccc(Br)cn2)c1 ZINC001461089767 1067779930 /nfs/dbraw/zinc/77/99/30/1067779930.db2.gz WYLMKJXTHWRROG-UHFFFAOYSA-N 1 2 457.372 4.955 20 0 JJADLO O=C1C[C@H]([NH2+]Cc2c(F)cncc2Br)CN1c1ccc(Oc2ccccc2)cc1 ZINC001461092932 1067780577 /nfs/dbraw/zinc/78/05/77/1067780577.db2.gz BCZUYGWJWOOFIZ-HNNXBMFYSA-N 1 2 456.315 4.671 20 0 JJADLO C[C@H]1[C@H](c2cccc(F)c2)OCCN1C(=O)[C@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001461121137 1067785275 /nfs/dbraw/zinc/78/52/75/1067785275.db2.gz SIEDNZWJLSSHBG-WQTXXOFMSA-N 1 2 461.375 4.714 20 0 JJADLO Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC001461184205 1067794736 /nfs/dbraw/zinc/79/47/36/1067794736.db2.gz MPRXQTUVZPIZJK-UHFFFAOYSA-N 1 2 455.271 4.839 20 0 JJADLO COc1cc(C[NH2+]Cc2nnc(-c3ccccc3)s2)cc(Br)c1OC(F)F ZINC001461346645 1067835534 /nfs/dbraw/zinc/83/55/34/1067835534.db2.gz RPRVYDNERYKDCV-UHFFFAOYSA-N 1 2 456.312 4.867 20 0 JJADLO Cc1cc(Br)ccc1CNc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC001461431078 1067854436 /nfs/dbraw/zinc/85/44/36/1067854436.db2.gz BFTNYHCOEMUTIO-UHFFFAOYSA-N 1 2 453.222 4.884 20 0 JJADLO Cc1nn(-c2ccc(C)cc2)cc1CNc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC001461432367 1067854918 /nfs/dbraw/zinc/85/49/18/1067854918.db2.gz GZWLRXNPPPPEML-UHFFFAOYSA-N 1 2 454.416 4.616 20 0 JJADLO CN1c2cc(NCc3ccc(OCCn4cc[nH+]c4)c(Cl)c3)ccc2OCC(C)(C)C1=O ZINC001461775085 1067935374 /nfs/dbraw/zinc/93/53/74/1067935374.db2.gz KGTXMFHMOHWEKE-UHFFFAOYSA-N 1 2 454.958 4.609 20 0 JJADLO CCOc1cc(C[N@@H+]2CCCC[C@H]2[C@H](C)NC(=O)OC(C)(C)C)cc(Br)c1O ZINC001461890119 1067955342 /nfs/dbraw/zinc/95/53/42/1067955342.db2.gz YBJVUUAYWDTALO-YOEHRIQHSA-N 1 2 457.409 4.821 20 0 JJADLO CCOc1cc(C[N@H+]2CCCC[C@H]2[C@H](C)NC(=O)OC(C)(C)C)cc(Br)c1O ZINC001461890119 1067955347 /nfs/dbraw/zinc/95/53/47/1067955347.db2.gz YBJVUUAYWDTALO-YOEHRIQHSA-N 1 2 457.409 4.821 20 0 JJADLO Cc1cc(C2OCCO2)c(C)cc1CN1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001461940978 1067965306 /nfs/dbraw/zinc/96/53/06/1067965306.db2.gz IOXUPWURFRAYIS-UHFFFAOYSA-N 1 2 450.501 4.565 20 0 JJADLO FC(F)Sc1ccc(C[NH+]2CCN(CCCc3nc(-c4cccs4)no3)CC2)cc1 ZINC001461971020 1067971803 /nfs/dbraw/zinc/97/18/03/1067971803.db2.gz MQRJYKPRIJRATG-UHFFFAOYSA-N 1 2 450.580 4.863 20 0 JJADLO COCC[N@H+](Cc1nnc(-c2cccs2)o1)Cc1ccc(Br)c2cccnc12 ZINC001462010937 1067980118 /nfs/dbraw/zinc/98/01/18/1067980118.db2.gz SZTJQJOSTHFRCD-UHFFFAOYSA-N 1 2 459.369 4.757 20 0 JJADLO COCC[N@@H+](Cc1nnc(-c2cccs2)o1)Cc1ccc(Br)c2cccnc12 ZINC001462010937 1067980120 /nfs/dbraw/zinc/98/01/20/1067980120.db2.gz SZTJQJOSTHFRCD-UHFFFAOYSA-N 1 2 459.369 4.757 20 0 JJADLO C/C(=C\c1ccccc1OC(F)F)C[NH+]1CCN(Cc2nc(-c3ccc(C)cc3)no2)CC1 ZINC001462032973 1067984907 /nfs/dbraw/zinc/98/49/07/1067984907.db2.gz XAEVHMNGJMSCQT-XDJHFCHBSA-N 1 2 454.521 4.868 20 0 JJADLO O=C(CN1CC[NH+](C/C=C\c2ccc(F)cc2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC001462037894 1067986640 /nfs/dbraw/zinc/98/66/40/1067986640.db2.gz LCOTYXGCSNSPLM-UPHRSURJSA-N 1 2 455.883 4.767 20 0 JJADLO COc1cc(C[NH2+][C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)cc(OC)c1OCC(F)F ZINC001462182848 1068024463 /nfs/dbraw/zinc/02/44/63/1068024463.db2.gz GLGGKODSMFPBCE-ZDUSSCGKSA-N 1 2 451.445 4.696 20 0 JJADLO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2cccc(O)c2Br)C[C@H]1c1ccccc1F ZINC001462341500 1068054841 /nfs/dbraw/zinc/05/48/41/1068054841.db2.gz WQLJPUOWGRDVPZ-FUHWJXTLSA-N 1 2 465.363 4.787 20 0 JJADLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2cccc(O)c2Br)C[C@H]1c1ccccc1F ZINC001462341500 1068054855 /nfs/dbraw/zinc/05/48/55/1068054855.db2.gz WQLJPUOWGRDVPZ-FUHWJXTLSA-N 1 2 465.363 4.787 20 0 JJADLO Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)N3CC[N@@H+](C)C(C)(C)C3)cc12 ZINC001462524550 1068091512 /nfs/dbraw/zinc/09/15/12/1068091512.db2.gz IEHVUYKSUBAXCT-UHFFFAOYSA-N 1 2 451.423 4.928 20 0 JJADLO Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)N3CC[N@H+](C)C(C)(C)C3)cc12 ZINC001462524550 1068091527 /nfs/dbraw/zinc/09/15/27/1068091527.db2.gz IEHVUYKSUBAXCT-UHFFFAOYSA-N 1 2 451.423 4.928 20 0 JJADLO CC1(C)[C@H](c2ccc(F)c(F)c2)CCN1C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC001462543779 1068095223 /nfs/dbraw/zinc/09/52/23/1068095223.db2.gz RHSHKDNYTIPDTB-FQEVSTJZSA-N 1 2 452.505 4.598 20 0 JJADLO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2c(-c3ccccc3)nc3sccn23)C[C@H]1C(F)(F)F ZINC001462595684 1068108309 /nfs/dbraw/zinc/10/83/09/1068108309.db2.gz XQRZZSLUHXTUTM-HZPDHXFCSA-N 1 2 466.529 4.950 20 0 JJADLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2c(-c3ccccc3)nc3sccn23)C[C@H]1C(F)(F)F ZINC001462595684 1068108314 /nfs/dbraw/zinc/10/83/14/1068108314.db2.gz XQRZZSLUHXTUTM-HZPDHXFCSA-N 1 2 466.529 4.950 20 0 JJADLO CN(Cc1cc(Cl)ccc1Oc1ccc(Cl)cc1)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001462845508 1068188008 /nfs/dbraw/zinc/18/80/08/1068188008.db2.gz NPRGGWDKSFMBTI-GGAORHGYSA-N 1 2 479.404 4.624 20 0 JJADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)S(=O)(=O)c1c(C)cc(C)c(F)c1C ZINC001463020733 1068254598 /nfs/dbraw/zinc/25/45/98/1068254598.db2.gz WFSKRZLGSYCUTH-UHFFFAOYSA-N 1 2 459.587 4.627 20 0 JJADLO O=C(NCc1cc(Oc2cccc(Cl)c2)ccn1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC001463229335 1068328554 /nfs/dbraw/zinc/32/85/54/1068328554.db2.gz ZHMOBSXROCWKCP-HSZRJFAPSA-N 1 2 453.995 4.934 20 0 JJADLO CSc1ccc(Oc2ccc(S(=O)(=O)NCCc3cn4cccc(C)c4[nH+]3)cc2)cc1 ZINC001463232310 1068329314 /nfs/dbraw/zinc/32/93/14/1068329314.db2.gz XAGUKTNLTCJLIR-UHFFFAOYSA-N 1 2 453.589 4.678 20 0 JJADLO Cn1c[nH+]cc1C1CCN(C(=O)[C@@H](Oc2ccc(Br)cc2)c2ccccc2)CC1 ZINC001463439988 1068398344 /nfs/dbraw/zinc/39/83/44/1068398344.db2.gz WUIROHIAOGDQCX-QFIPXVFZSA-N 1 2 454.368 4.709 20 0 JJADLO CC(C)[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC001463561591 1068444244 /nfs/dbraw/zinc/44/42/44/1068444244.db2.gz QIYSDEWSKNIMGA-SFHVURJKSA-N 1 2 456.395 4.606 20 0 JJADLO CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC001463561591 1068444253 /nfs/dbraw/zinc/44/42/53/1068444253.db2.gz QIYSDEWSKNIMGA-SFHVURJKSA-N 1 2 456.395 4.606 20 0 JJADLO O=C(CCOc1ccc(Cl)c(Cl)c1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC001463603054 1068461828 /nfs/dbraw/zinc/46/18/28/1068461828.db2.gz GSKCMFYLPVIQDC-UHFFFAOYSA-N 1 2 457.785 4.639 20 0 JJADLO C[N@H+](CCC(F)(F)F)[C@@H](CNS(=O)(=O)Cc1cccc(F)c1)c1ccc(Cl)cc1 ZINC001463699028 1068498659 /nfs/dbraw/zinc/49/86/59/1068498659.db2.gz PCDIZUOBMPRSRX-SFHVURJKSA-N 1 2 452.901 4.524 20 0 JJADLO C[N@@H+](CCC(F)(F)F)[C@@H](CNS(=O)(=O)Cc1cccc(F)c1)c1ccc(Cl)cc1 ZINC001463699028 1068498664 /nfs/dbraw/zinc/49/86/64/1068498664.db2.gz PCDIZUOBMPRSRX-SFHVURJKSA-N 1 2 452.901 4.524 20 0 JJADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)C2(c3ccc(Br)cc3)CCC2)CC1 ZINC001463737690 1068508022 /nfs/dbraw/zinc/50/80/22/1068508022.db2.gz QTLWLCBDYMASFG-UHFFFAOYSA-N 1 2 457.412 4.532 20 0 JJADLO C[C@H](C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1)c1ccc(Br)cc1 ZINC001463805208 1068531376 /nfs/dbraw/zinc/53/13/76/1068531376.db2.gz DLUXBAUPTNIZCB-HNNXBMFYSA-N 1 2 455.318 4.916 20 0 JJADLO C[C@@](O)(C(=O)N1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)s2)CC1)c1ccc(F)cc1 ZINC001464046947 1068599224 /nfs/dbraw/zinc/59/92/24/1068599224.db2.gz LNADYUYWGGZKRA-DEOSSOPVSA-N 1 2 458.986 4.760 20 0 JJADLO COc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)cc1OCc1cccnc1 ZINC001464116468 1068620587 /nfs/dbraw/zinc/62/05/87/1068620587.db2.gz OAMUMAFOZRVRQY-JOCHJYFZSA-N 1 2 451.954 4.926 20 0 JJADLO COc1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)cc1OCc1cccnc1 ZINC001464116468 1068620590 /nfs/dbraw/zinc/62/05/90/1068620590.db2.gz OAMUMAFOZRVRQY-JOCHJYFZSA-N 1 2 451.954 4.926 20 0 JJADLO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC001464126859 1068624910 /nfs/dbraw/zinc/62/49/10/1068624910.db2.gz AQOKOYQRGNZMAC-SQGPQFPESA-N 1 2 468.013 4.816 20 0 JJADLO O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[C@H]1CCN(c2ccccc2Cl)C1 ZINC001464128332 1068626056 /nfs/dbraw/zinc/62/60/56/1068626056.db2.gz DDEFFLSCTXSAGG-HRAATJIYSA-N 1 2 450.385 4.912 20 0 JJADLO O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[C@@H]1CCN(c2ccccc2Cl)C1 ZINC001464128335 1068626082 /nfs/dbraw/zinc/62/60/82/1068626082.db2.gz DDEFFLSCTXSAGG-IERDGZPVSA-N 1 2 450.385 4.912 20 0 JJADLO CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC001464130347 1068626556 /nfs/dbraw/zinc/62/65/56/1068626556.db2.gz LISFYCKGAJWOIC-APWZRJJASA-N 1 2 453.986 4.522 20 0 JJADLO CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC001464130349 1068627344 /nfs/dbraw/zinc/62/73/44/1068627344.db2.gz LISFYCKGAJWOIC-QFBILLFUSA-N 1 2 453.986 4.522 20 0 JJADLO O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1nc(C(F)(F)F)n2ccccc12 ZINC001464134023 1068628520 /nfs/dbraw/zinc/62/85/20/1068628520.db2.gz YUTVGVXMSRFZIF-INIZCTEOSA-N 1 2 454.855 4.713 20 0 JJADLO CCC1(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](Cc3cc(F)ccc3OC)CC2)CCOCC1 ZINC001546146486 1068721717 /nfs/dbraw/zinc/72/17/17/1068721717.db2.gz SMUINPNPLFNQFJ-UHFFFAOYSA-N 1 2 487.664 4.543 20 0 JJADLO CCOc1ccc([C@@]2(C(=O)Nc3nc(C[NH+]4CCCCC4)cs3)CC2(Cl)Cl)cc1 ZINC001464388398 1068727723 /nfs/dbraw/zinc/72/77/23/1068727723.db2.gz YJZBVDNZVZXYTC-HXUWFJFHSA-N 1 2 454.423 4.982 20 0 JJADLO Cc1[nH]c(-c2cccc(NC(=O)c3ccnc(Cl)c3I)c2)[nH+]c1C ZINC001464455622 1068752590 /nfs/dbraw/zinc/75/25/90/1068752590.db2.gz BGRRMEMJYQJFIM-UHFFFAOYSA-N 1 2 452.683 4.599 20 0 JJADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2CCC3)c1C ZINC001464538410 1068776228 /nfs/dbraw/zinc/77/62/28/1068776228.db2.gz CAYZQCBVZOMTBX-UHFFFAOYSA-N 1 2 459.377 4.960 20 0 JJADLO O=C(NC1(c2cccc(Br)c2)CCOCC1)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001464638876 1068807606 /nfs/dbraw/zinc/80/76/06/1068807606.db2.gz SWQRXTVWPKUFDF-MSEWRSJXSA-N 1 2 458.400 4.637 20 0 JJADLO CCN(Cc1cc(Br)ccc1F)C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC001464725382 1068839232 /nfs/dbraw/zinc/83/92/32/1068839232.db2.gz TVWBOBCAOPSBQQ-UHFFFAOYSA-N 1 2 450.377 4.826 20 0 JJADLO Cc1cc(C(F)(F)N2CCO[C@@H](c3[nH+]cn4c3cccc4Br)C2)cc(Cl)n1 ZINC001164416304 718889669 /nfs/dbraw/zinc/88/96/69/718889669.db2.gz CYJNEYJCIIYANN-CQSZACIVSA-N 1 2 457.706 4.576 20 0 JJADLO FC(F)(c1c[nH]c2nc(Cl)ccc21)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164416301 718890561 /nfs/dbraw/zinc/89/05/61/718890561.db2.gz CYBQJNDBCPZQGI-AWEZNQCLSA-N 1 2 482.716 4.749 20 0 JJADLO CCOC(=O)[C@]12C[C@H]1CCN2c1nc(C[NH+]2CCCCC2)nc2scc(-c3cccs3)c21 ZINC001164627404 719041786 /nfs/dbraw/zinc/04/17/86/719041786.db2.gz UMHFGUJLWLYZMG-GYCJOSAFSA-N 1 2 468.648 4.938 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3c1CSCC3)CC2 ZINC001164663524 719346794 /nfs/dbraw/zinc/34/67/94/719346794.db2.gz JNBAIYAVZXLQLW-UHFFFAOYSA-N 1 2 481.069 4.614 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3c1CSCC3)CC2 ZINC001164663524 719346797 /nfs/dbraw/zinc/34/67/97/719346797.db2.gz JNBAIYAVZXLQLW-UHFFFAOYSA-N 1 2 481.069 4.614 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc3cc(C(=O)OC)ccc3n1)CC2 ZINC001164663400 719348966 /nfs/dbraw/zinc/34/89/66/719348966.db2.gz FSTHRVDNFXHYCO-UHFFFAOYSA-N 1 2 481.600 4.716 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc3cc(C(=O)OC)ccc3n1)CC2 ZINC001164663400 719348971 /nfs/dbraw/zinc/34/89/71/719348971.db2.gz FSTHRVDNFXHYCO-UHFFFAOYSA-N 1 2 481.600 4.716 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc3ccc(C(=O)OC)cc31)CC2 ZINC001164662968 719349013 /nfs/dbraw/zinc/34/90/13/719349013.db2.gz BOBWHWPGWLLNED-UHFFFAOYSA-N 1 2 481.600 4.716 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc3ccc(C(=O)OC)cc31)CC2 ZINC001164662968 719349017 /nfs/dbraw/zinc/34/90/17/719349017.db2.gz BOBWHWPGWLLNED-UHFFFAOYSA-N 1 2 481.600 4.716 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cnc3ccc(Cl)cc3n1)CC2 ZINC001164663530 719349124 /nfs/dbraw/zinc/34/91/24/719349124.db2.gz JXQRFPUMORIUQW-UHFFFAOYSA-N 1 2 458.997 4.978 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cnc3ccc(Cl)cc3n1)CC2 ZINC001164663530 719349127 /nfs/dbraw/zinc/34/91/27/719349127.db2.gz JXQRFPUMORIUQW-UHFFFAOYSA-N 1 2 458.997 4.978 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3cc(Cl)c(OC)cc31)CC2 ZINC001164658450 719350256 /nfs/dbraw/zinc/35/02/56/719350256.db2.gz HGKOYERDUZSPOO-UHFFFAOYSA-N 1 2 489.023 4.987 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3cc(Cl)c(OC)cc31)CC2 ZINC001164658450 719350260 /nfs/dbraw/zinc/35/02/60/719350260.db2.gz HGKOYERDUZSPOO-UHFFFAOYSA-N 1 2 489.023 4.987 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc3c(n1)-c1ccccc1CC3)CC2 ZINC001164658596 719352184 /nfs/dbraw/zinc/35/21/84/719352184.db2.gz KFKYMXZFUQWFPI-UHFFFAOYSA-N 1 2 476.628 4.937 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc3c(n1)-c1ccccc1CC3)CC2 ZINC001164658596 719352188 /nfs/dbraw/zinc/35/21/88/719352188.db2.gz KFKYMXZFUQWFPI-UHFFFAOYSA-N 1 2 476.628 4.937 20 0 JJADLO CCc1cc2c(nc(Cl)nc2N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@H+]3CC)[nH]1 ZINC001164658189 719353147 /nfs/dbraw/zinc/35/31/47/719353147.db2.gz FFZWIQVYVBQZSC-UHFFFAOYSA-N 1 2 476.028 4.868 20 0 JJADLO CCc1cc2c(nc(Cl)nc2N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@@H+]3CC)[nH]1 ZINC001164658189 719353150 /nfs/dbraw/zinc/35/31/50/719353150.db2.gz FFZWIQVYVBQZSC-UHFFFAOYSA-N 1 2 476.028 4.868 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(-c3ccncc3)cn1)CC2 ZINC001164658893 719353161 /nfs/dbraw/zinc/35/31/61/719353161.db2.gz LJAVRPITMBWUEQ-UHFFFAOYSA-N 1 2 450.590 4.838 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(-c3ccncc3)cn1)CC2 ZINC001164658893 719353165 /nfs/dbraw/zinc/35/31/65/719353165.db2.gz LJAVRPITMBWUEQ-UHFFFAOYSA-N 1 2 450.590 4.838 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(-c3cccnc3)nc3c1CCC3)CC2 ZINC001164658027 719354832 /nfs/dbraw/zinc/35/48/32/719354832.db2.gz BHNJXHZMRKTMBJ-UHFFFAOYSA-N 1 2 491.643 4.722 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(-c3cccnc3)nc3c1CCC3)CC2 ZINC001164658027 719354835 /nfs/dbraw/zinc/35/48/35/719354835.db2.gz BHNJXHZMRKTMBJ-UHFFFAOYSA-N 1 2 491.643 4.722 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(-c3nc(C(C)C)no3)ccn1)CC2 ZINC001164658072 719354886 /nfs/dbraw/zinc/35/48/86/719354886.db2.gz DGHGCHIRKOIHSW-UHFFFAOYSA-N 1 2 483.620 4.950 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(-c3nc(C(C)C)no3)ccn1)CC2 ZINC001164658072 719354889 /nfs/dbraw/zinc/35/48/89/719354889.db2.gz DGHGCHIRKOIHSW-UHFFFAOYSA-N 1 2 483.620 4.950 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(-c3nc(C4CC4)no3)ccn1)CC2 ZINC001164658529 719355342 /nfs/dbraw/zinc/35/53/42/719355342.db2.gz IFHSESLZXOHCFK-UHFFFAOYSA-N 1 2 481.604 4.704 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(-c3nc(C4CC4)no3)ccn1)CC2 ZINC001164658529 719355345 /nfs/dbraw/zinc/35/53/45/719355345.db2.gz IFHSESLZXOHCFK-UHFFFAOYSA-N 1 2 481.604 4.704 20 0 JJADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nc(Cl)ncc2-c2ccccc2)CC3)cc1 ZINC001164673099 719507504 /nfs/dbraw/zinc/50/75/04/719507504.db2.gz NPMHSDUQSXMRSQ-UHFFFAOYSA-N 1 2 452.961 4.808 20 0 JJADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nc(Cl)ncc2-c2ccccc2)CC3)cc1 ZINC001164673099 719507509 /nfs/dbraw/zinc/50/75/09/719507509.db2.gz NPMHSDUQSXMRSQ-UHFFFAOYSA-N 1 2 452.961 4.808 20 0 JJADLO CCOc1ccc(-c2ccc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)nn2)cc1 ZINC001164677892 719525681 /nfs/dbraw/zinc/52/56/81/719525681.db2.gz IALLFPDNLVYGLE-UHFFFAOYSA-N 1 2 462.569 4.553 20 0 JJADLO CCOc1ccc(-c2ccc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)nn2)cc1 ZINC001164677892 719525695 /nfs/dbraw/zinc/52/56/95/719525695.db2.gz IALLFPDNLVYGLE-UHFFFAOYSA-N 1 2 462.569 4.553 20 0 JJADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nc4c(Cl)cccc4nc2Cl)CC3)cc1 ZINC001164678994 719530592 /nfs/dbraw/zinc/53/05/92/719530592.db2.gz QCFQERSRKKJGIB-UHFFFAOYSA-N 1 2 461.368 4.947 20 0 JJADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nc4c(Cl)cccc4nc2Cl)CC3)cc1 ZINC001164678994 719530601 /nfs/dbraw/zinc/53/06/01/719530601.db2.gz QCFQERSRKKJGIB-UHFFFAOYSA-N 1 2 461.368 4.947 20 0 JJADLO COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2CCc3onc(Cn4cc[nH+]c4)c3C2)cc1 ZINC001164678340 719566603 /nfs/dbraw/zinc/56/66/03/719566603.db2.gz XRRQMXCOAJLQLD-UHFFFAOYSA-N 1 2 499.905 4.529 20 0 JJADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN(C(F)(F)c3cnc(Cl)c(Cl)c3)CC2)cc1 ZINC001164698134 719830096 /nfs/dbraw/zinc/83/00/96/719830096.db2.gz RQNCTGSOLHLVEY-UHFFFAOYSA-N 1 2 492.357 4.838 20 0 JJADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)Oc1ccccc1-c1cccc(Cl)n1 ZINC001164721799 720317680 /nfs/dbraw/zinc/31/76/80/720317680.db2.gz HWNOTCNCSFHQGB-HXUWFJFHSA-N 1 2 489.954 4.844 20 0 JJADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cnc(Cl)c(-c2ccco2)c1 ZINC001164724967 720318214 /nfs/dbraw/zinc/31/82/14/720318214.db2.gz UBLVDAYDAKFKLD-SFHVURJKSA-N 1 2 463.916 4.557 20 0 JJADLO FC(F)(c1cnc(Cl)c(C2CCCCC2)c1)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164832113 720399069 /nfs/dbraw/zinc/39/90/69/720399069.db2.gz ZOYOVLLQZBUMRV-UHFFFAOYSA-N 1 2 461.948 4.574 20 0 JJADLO FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164756203 720977895 /nfs/dbraw/zinc/97/78/95/720977895.db2.gz GIBLQLFOQMZXPU-AWEZNQCLSA-N 1 2 468.335 4.741 20 0 JJADLO FC(F)(c1cc(-c2cccs2)nnc1Cl)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164755567 720979348 /nfs/dbraw/zinc/97/93/48/720979348.db2.gz ARSYGDIEGUPOKS-HNNXBMFYSA-N 1 2 465.957 4.663 20 0 JJADLO FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164756446 720979373 /nfs/dbraw/zinc/97/93/73/720979373.db2.gz IJDWWQXLZOEJRI-QGZVFWFLSA-N 1 2 459.928 4.601 20 0 JJADLO FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164759310 720979468 /nfs/dbraw/zinc/97/94/68/720979468.db2.gz ZYQRSSVCAQVOBG-QGZVFWFLSA-N 1 2 459.928 4.601 20 0 JJADLO Fc1ccccc1-c1cc(C(F)(F)N2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)c(Cl)nn1 ZINC001164875727 721222802 /nfs/dbraw/zinc/22/28/02/721222802.db2.gz XHXZRNQKKJUGBW-UHFFFAOYSA-N 1 2 489.929 4.752 20 0 JJADLO FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164769981 721274063 /nfs/dbraw/zinc/27/40/63/721274063.db2.gz QOOXVWGUKPXUGS-AWEZNQCLSA-N 1 2 491.329 4.788 20 0 JJADLO FC(F)(c1cccc2ccnc(Cl)c21)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164766276 721274418 /nfs/dbraw/zinc/27/44/18/721274418.db2.gz BFLUVVCAJURDFU-MRXNPFEDSA-N 1 2 455.896 4.740 20 0 JJADLO FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164768156 721274608 /nfs/dbraw/zinc/27/46/08/721274608.db2.gz KSUACZRCAYMMHD-AWEZNQCLSA-N 1 2 491.329 4.788 20 0 JJADLO FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164769187 721274770 /nfs/dbraw/zinc/27/47/70/721274770.db2.gz PPIKJXQBUAFKGD-QGZVFWFLSA-N 1 2 482.922 4.649 20 0 JJADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cnc(Cl)c(-c3ccc(F)cc3)c1)C2 ZINC001165011746 721718134 /nfs/dbraw/zinc/71/81/34/721718134.db2.gz SYQNMYZEPHUCHT-UHFFFAOYSA-N 1 2 478.950 4.928 20 0 JJADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cnc(Cl)c(-c3ccc(F)cc3)c1)C2 ZINC001165011746 721718146 /nfs/dbraw/zinc/71/81/46/721718146.db2.gz SYQNMYZEPHUCHT-UHFFFAOYSA-N 1 2 478.950 4.928 20 0 JJADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(-c3ccccc3F)nc3ccc(C)cc32)CC1 ZINC001164918282 721816585 /nfs/dbraw/zinc/81/65/85/721816585.db2.gz LSDNNIGUCRYMPU-UHFFFAOYSA-N 1 2 456.569 4.690 20 0 JJADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(-c3cccs3)nc3sc4c(c32)CCC4)CC1 ZINC001164917810 721819587 /nfs/dbraw/zinc/81/95/87/721819587.db2.gz HVJLOORJYSLVRQ-UHFFFAOYSA-N 1 2 476.675 4.855 20 0 JJADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@H](c4ccncc4)C3)c2c1C ZINC001165040387 721929008 /nfs/dbraw/zinc/92/90/08/721929008.db2.gz BVJSFGLYWONJQU-IBGZPJMESA-N 1 2 465.623 4.551 20 0 JJADLO c1ccc(C[N@@H+]2CCc3ncnc(N4C[C@@H]5[C@@H](OCC6CC6)c6ccccc6[C@H]5C4)c3C2)cc1 ZINC001164973967 722170504 /nfs/dbraw/zinc/17/05/04/722170504.db2.gz DIVBYVBKAXMSIL-QQNWGBJXSA-N 1 2 452.602 4.736 20 0 JJADLO c1ccc(C[N@H+]2CCc3ncnc(N4C[C@@H]5[C@@H](OCC6CC6)c6ccccc6[C@H]5C4)c3C2)cc1 ZINC001164973967 722170505 /nfs/dbraw/zinc/17/05/05/722170505.db2.gz DIVBYVBKAXMSIL-QQNWGBJXSA-N 1 2 452.602 4.736 20 0 JJADLO CC(C)c1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1Cc1cccc(Br)n1 ZINC001359719730 1064267290 /nfs/dbraw/zinc/26/72/90/1064267290.db2.gz VUYBTKDJTDKXNQ-UHFFFAOYSA-N 1 2 489.849 4.583 20 0 JJADLO CC(C)[C@@H]1CCCN1c1nnc(CSc2ccc(Cl)cc2)n1CC[N@@H+]1CCOCC1(C)C ZINC001359737756 1064299471 /nfs/dbraw/zinc/29/94/71/1064299471.db2.gz FPNDFRYATCYAIE-NRFANRHFSA-N 1 2 478.106 4.959 20 0 JJADLO CC(C)[C@@H]1CCCN1c1nnc(CSc2ccc(Cl)cc2)n1CC[N@H+]1CCOCC1(C)C ZINC001359737756 1064299477 /nfs/dbraw/zinc/29/94/77/1064299477.db2.gz FPNDFRYATCYAIE-NRFANRHFSA-N 1 2 478.106 4.959 20 0 JJADLO CC(C)[C@H]1CCCN1c1nnc(CSc2ccc(Cl)cc2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001359738204 1064301155 /nfs/dbraw/zinc/30/11/55/1064301155.db2.gz PBUBFNYAKRXDJG-GHTZIAJQSA-N 1 2 464.079 4.569 20 0 JJADLO CC(C)[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2Cc2ccc(N(C)C)[nH+]c2)CCS1 ZINC001359747615 1064330515 /nfs/dbraw/zinc/33/05/15/1064330515.db2.gz FMCXWXBJESEPHB-FQEVSTJZSA-N 1 2 457.047 4.686 20 0 JJADLO CC(C)[C@@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2CC[N@@H+]2CCOC[C@@H]2C)CCS1 ZINC001359755429 1064348588 /nfs/dbraw/zinc/34/85/88/1064348588.db2.gz ABUITWGEWVKCFG-RXVVDRJESA-N 1 2 496.146 4.522 20 0 JJADLO CC(C)[C@@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2CC[N@H+]2CCOC[C@@H]2C)CCS1 ZINC001359755429 1064348604 /nfs/dbraw/zinc/34/86/04/1064348604.db2.gz ABUITWGEWVKCFG-RXVVDRJESA-N 1 2 496.146 4.522 20 0 JJADLO CC(C)[C@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2CC[N@@H+]2CCOC[C@@H]2C)CCS1 ZINC001359755427 1064348692 /nfs/dbraw/zinc/34/86/92/1064348692.db2.gz ABUITWGEWVKCFG-GHTZIAJQSA-N 1 2 496.146 4.522 20 0 JJADLO CC(C)[C@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2CC[N@H+]2CCOC[C@@H]2C)CCS1 ZINC001359755427 1064348706 /nfs/dbraw/zinc/34/87/06/1064348706.db2.gz ABUITWGEWVKCFG-GHTZIAJQSA-N 1 2 496.146 4.522 20 0 JJADLO CC(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC[NH+](Cc3cccc(Cl)c3)CC2)nnc1C(C)(C)C ZINC001359759642 1064364138 /nfs/dbraw/zinc/36/41/38/1064364138.db2.gz KKMMYVRHSNYRAR-IRLDBZIGSA-N 1 2 460.066 4.612 20 0 JJADLO C[C@@H](C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1)c1cccc(Br)c1 ZINC001359788978 1064445010 /nfs/dbraw/zinc/44/50/10/1064445010.db2.gz AEGLZVUOAWBDBZ-MRXNPFEDSA-N 1 2 452.356 4.828 20 0 JJADLO COc1cccc(-c2ccc(CNC(=O)c3cccc(NC(=O)CCn4cc[nH+]c4)c3)cc2)c1 ZINC001435146774 1064546908 /nfs/dbraw/zinc/54/69/08/1064546908.db2.gz CQJQZRWMMGFGCU-UHFFFAOYSA-N 1 2 454.530 4.518 20 0 JJADLO COc1cc(C(=O)Nc2cccc3[nH+]ccn32)ccc1OCc1ccc(Br)s1 ZINC001435154626 1064552621 /nfs/dbraw/zinc/55/26/21/1064552621.db2.gz JDWLLULENQKFBG-UHFFFAOYSA-N 1 2 458.337 4.998 20 0 JJADLO CC(C)Cc1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001359865003 1064554764 /nfs/dbraw/zinc/55/47/64/1064554764.db2.gz UXJJKPXMTWYKFB-HHHXNRCGSA-N 1 2 468.690 4.942 20 0 JJADLO CCN(C(=O)C[C@@H]1CCC[C@H](C(F)(F)F)O1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001435239201 1064618860 /nfs/dbraw/zinc/61/88/60/1064618860.db2.gz HBEZEDXALDPAMD-RBUKOAKNSA-N 1 2 456.553 4.616 20 0 JJADLO CC[C@@H](Cc1cccc(Br)c1)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC001435292520 1064668320 /nfs/dbraw/zinc/66/83/20/1064668320.db2.gz ZBQZHTWOVZBIJQ-IBGZPJMESA-N 1 2 458.444 4.869 20 0 JJADLO Cc1c[nH+]c2cc(C(=O)N(CC(=O)Nc3ccc(Cl)cc3C(F)(F)F)C(C)C)ccn12 ZINC001359932168 1064669979 /nfs/dbraw/zinc/66/99/79/1064669979.db2.gz JMEJHGJVMBHZBU-UHFFFAOYSA-N 1 2 452.864 4.804 20 0 JJADLO CC(C)CCOC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001359959234 1064731190 /nfs/dbraw/zinc/73/11/90/1064731190.db2.gz VRTFFZGUAUUQQV-ILBGXUMGSA-N 1 2 498.716 4.738 20 0 JJADLO C[C@@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001435391938 1064736062 /nfs/dbraw/zinc/73/60/62/1064736062.db2.gz GZPHIFKRJHFNCU-HRAATJIYSA-N 1 2 459.377 4.639 20 0 JJADLO C[C@@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001435391938 1064736077 /nfs/dbraw/zinc/73/60/77/1064736077.db2.gz GZPHIFKRJHFNCU-HRAATJIYSA-N 1 2 459.377 4.639 20 0 JJADLO CC(C)CCOCCn1c(-c2ccccn2)nnc1N1CC[NH+]([C@H](C)c2ccc(F)cc2F)CC1 ZINC001359965307 1064741096 /nfs/dbraw/zinc/74/10/96/1064741096.db2.gz XUOLJBKLJUDKMW-HXUWFJFHSA-N 1 2 484.595 4.564 20 0 JJADLO CC(C)CN(c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC1([NH+]2CCOCC2)CC1)C(C)C ZINC001359983744 1064761338 /nfs/dbraw/zinc/76/13/38/1064761338.db2.gz XPZYNMOQNYAUAW-HXUWFJFHSA-N 1 2 476.065 4.807 20 0 JJADLO CC(C)CN(c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC[N@@H+]1CCOC[C@H]1C)C(C)C ZINC001359986073 1064766573 /nfs/dbraw/zinc/76/65/73/1064766573.db2.gz XTNNUKLQUGOPTK-WOJBJXKFSA-N 1 2 459.704 4.723 20 0 JJADLO CC(C)CN(c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC[N@H+]1CCOC[C@H]1C)C(C)C ZINC001359986073 1064766587 /nfs/dbraw/zinc/76/65/87/1064766587.db2.gz XTNNUKLQUGOPTK-WOJBJXKFSA-N 1 2 459.704 4.723 20 0 JJADLO CC(C)COc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCc3c(cc[nH+]c3N(C)C)C2)cc1 ZINC001360050639 1064876838 /nfs/dbraw/zinc/87/68/38/1064876838.db2.gz YNEINXXWSBMFPZ-UHFFFAOYSA-N 1 2 476.669 4.974 20 0 JJADLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccnc(OC2CCCCC2)c1 ZINC001435626942 1064888802 /nfs/dbraw/zinc/88/88/02/1064888802.db2.gz VXOPMPAJZJAQEW-CPJSRVTESA-N 1 2 450.627 4.869 20 0 JJADLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccnc(OC2CCCCC2)c1 ZINC001435626942 1064888813 /nfs/dbraw/zinc/88/88/13/1064888813.db2.gz VXOPMPAJZJAQEW-CPJSRVTESA-N 1 2 450.627 4.869 20 0 JJADLO CC(C)CSCCn1c(-c2ccccc2Cl)nnc1N1CC[C@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001360082843 1064942959 /nfs/dbraw/zinc/94/29/59/1064942959.db2.gz NUHNDJWNPVNJFW-NRFANRHFSA-N 1 2 491.149 4.592 20 0 JJADLO Cc1nc(-c2ccccc2F)sc1C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC001435744201 1064968145 /nfs/dbraw/zinc/96/81/45/1064968145.db2.gz AIKDXHRLERUXDD-WOJBJXKFSA-N 1 2 459.974 4.713 20 0 JJADLO Cc1nc(-c2ccccc2F)sc1C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC001435744201 1064968159 /nfs/dbraw/zinc/96/81/59/1064968159.db2.gz AIKDXHRLERUXDD-WOJBJXKFSA-N 1 2 459.974 4.713 20 0 JJADLO Cc1nc(-c2ccccc2F)sc1C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC001435744189 1064968195 /nfs/dbraw/zinc/96/81/95/1064968195.db2.gz AIKDXHRLERUXDD-UXHICEINSA-N 1 2 459.974 4.713 20 0 JJADLO Cc1nc(-c2ccccc2F)sc1C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC001435744189 1064968211 /nfs/dbraw/zinc/96/82/11/1064968211.db2.gz AIKDXHRLERUXDD-UXHICEINSA-N 1 2 459.974 4.713 20 0 JJADLO Cc1nc(-c2ccccc2C)sc1C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC001435744562 1064968830 /nfs/dbraw/zinc/96/88/30/1064968830.db2.gz BDDHFJMIFJECAQ-LEWJYISDSA-N 1 2 456.011 4.882 20 0 JJADLO Cc1nc(-c2ccccc2C)sc1C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC001435744562 1064968846 /nfs/dbraw/zinc/96/88/46/1064968846.db2.gz BDDHFJMIFJECAQ-LEWJYISDSA-N 1 2 456.011 4.882 20 0 JJADLO Cc1nc(-c2ccccc2C)sc1C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC001435744569 1064969298 /nfs/dbraw/zinc/96/92/98/1064969298.db2.gz BDDHFJMIFJECAQ-RTWAWAEBSA-N 1 2 456.011 4.882 20 0 JJADLO Cc1nc(-c2ccccc2C)sc1C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC001435744569 1064969311 /nfs/dbraw/zinc/96/93/11/1064969311.db2.gz BDDHFJMIFJECAQ-RTWAWAEBSA-N 1 2 456.011 4.882 20 0 JJADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)c2ccc(Cl)cc2)C1 ZINC001435745636 1064969768 /nfs/dbraw/zinc/96/97/68/1064969768.db2.gz FFBUBPXNHFXXFV-IZZBFERCSA-N 1 2 453.797 4.938 20 0 JJADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)c2ccc(Cl)cc2)C1 ZINC001435745636 1064969780 /nfs/dbraw/zinc/96/97/80/1064969780.db2.gz FFBUBPXNHFXXFV-IZZBFERCSA-N 1 2 453.797 4.938 20 0 JJADLO CC(C)N(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001360115782 1064998521 /nfs/dbraw/zinc/99/85/21/1064998521.db2.gz KAMUQPASAIIWTP-UHFFFAOYSA-N 1 2 464.614 4.994 20 0 JJADLO Cc1cc(Br)cn2cc(CCNC(=O)c3ccccc3Oc3cccnc3)[nH+]c12 ZINC001435847199 1065021140 /nfs/dbraw/zinc/02/11/40/1065021140.db2.gz CRUXKXUVZGKARW-UHFFFAOYSA-N 1 2 451.324 4.565 20 0 JJADLO CC(C)N1CC[NH+]([C@H]2CCN(c3nnc(-c4ccc(Cl)cc4)n3CCCC(F)(F)F)C2)CC1 ZINC001360156089 1065057825 /nfs/dbraw/zinc/05/78/25/1065057825.db2.gz PXCBLYASSRGGMD-FQEVSTJZSA-N 1 2 484.998 4.546 20 0 JJADLO CC/C(=C/C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1)c1ccc(OC)cc1 ZINC001435916688 1065061767 /nfs/dbraw/zinc/06/17/67/1065061767.db2.gz VOFCPJIYLKXITR-ICFOKQHNSA-N 1 2 458.400 4.642 20 0 JJADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2cc(Br)cc(Br)c2)CC1 ZINC001435984380 1065092357 /nfs/dbraw/zinc/09/23/57/1065092357.db2.gz BGGWPDPXOVQFQJ-GFCCVEGCSA-N 1 2 458.219 4.792 20 0 JJADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H](c2c(F)cccc2Cl)N2CCCCC2)CC1 ZINC001435994416 1065098231 /nfs/dbraw/zinc/09/82/31/1065098231.db2.gz ZAUSHCGOEQTQOK-VGSWGCGISA-N 1 2 450.023 4.973 20 0 JJADLO Cc1c[nH+]c2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3c3cccc(Cl)c3)ccn12 ZINC001436020136 1065117325 /nfs/dbraw/zinc/11/73/25/1065117325.db2.gz BMAHNQWPBAAYIN-FQEVSTJZSA-N 1 2 454.958 4.730 20 0 JJADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC001436020319 1065118309 /nfs/dbraw/zinc/11/83/09/1065118309.db2.gz SJFDFQKPYHJWFB-IRXDYDNUSA-N 1 2 451.394 4.892 20 0 JJADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC001436020319 1065118317 /nfs/dbraw/zinc/11/83/17/1065118317.db2.gz SJFDFQKPYHJWFB-IRXDYDNUSA-N 1 2 451.394 4.892 20 0 JJADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)CCCOc2ccc3c(c2)CCCC3)[C@@H](C)C1 ZINC001436021737 1065118808 /nfs/dbraw/zinc/11/88/08/1065118808.db2.gz YOJZJULGCKYKFQ-QFIPXVFZSA-N 1 2 450.623 4.856 20 0 JJADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)CCCOc2ccc3c(c2)CCCC3)[C@@H](C)C1 ZINC001436021737 1065118819 /nfs/dbraw/zinc/11/88/19/1065118819.db2.gz YOJZJULGCKYKFQ-QFIPXVFZSA-N 1 2 450.623 4.856 20 0 JJADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)CCCOc2ccc3c(c2)CCCC3)[C@H](C)C1 ZINC001436021736 1065118951 /nfs/dbraw/zinc/11/89/51/1065118951.db2.gz YOJZJULGCKYKFQ-JOCHJYFZSA-N 1 2 450.623 4.856 20 0 JJADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)CCCOc2ccc3c(c2)CCCC3)[C@H](C)C1 ZINC001436021736 1065118953 /nfs/dbraw/zinc/11/89/53/1065118953.db2.gz YOJZJULGCKYKFQ-JOCHJYFZSA-N 1 2 450.623 4.856 20 0 JJADLO O=C(Cc1cccc(I)c1)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC001436027805 1065123471 /nfs/dbraw/zinc/12/34/71/1065123471.db2.gz NNWCZCMWBZUFRA-UHFFFAOYSA-N 1 2 457.315 4.672 20 0 JJADLO Cc1nc(Cl)ccc1NC(=O)c1cccnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001436104763 1065182986 /nfs/dbraw/zinc/18/29/86/1065182986.db2.gz TXRNMSDFXHPJQW-UHFFFAOYSA-N 1 2 456.377 4.666 20 0 JJADLO Cc1nc(-c2ccc(Br)cc2)c(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)n1C ZINC001360434723 1065314653 /nfs/dbraw/zinc/31/46/53/1065314653.db2.gz PLMKYHVQFLAASM-UHFFFAOYSA-N 1 2 450.340 4.655 20 0 JJADLO C[C@@H](c1ccco1)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001360454370 1065351335 /nfs/dbraw/zinc/35/13/35/1065351335.db2.gz IMDZTFTVEQHRNE-INIZCTEOSA-N 1 2 468.508 4.846 20 0 JJADLO CC(C)c1nc(COC(=O)c2cccnc2N2CC[NH+](Cc3cccc(Cl)c3)CC2)co1 ZINC001436631980 1065408116 /nfs/dbraw/zinc/40/81/16/1065408116.db2.gz VUAHCLKIWVZZIN-UHFFFAOYSA-N 1 2 454.958 4.526 20 0 JJADLO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2ccccc2)n1CCCc1cccc(C)[nH+]1 ZINC001545904212 1065501152 /nfs/dbraw/zinc/50/11/52/1065501152.db2.gz PZFQIZIBXRWQIO-XMMPIXPASA-N 1 2 460.626 4.874 20 0 JJADLO C[NH+](C)[C@H](C(=O)Nc1cnc(-c2ccc(Br)s2)nc1)c1cccc(Cl)c1 ZINC001437046984 1065502876 /nfs/dbraw/zinc/50/28/76/1065502876.db2.gz WAXVPMXXWFCADE-INIZCTEOSA-N 1 2 451.777 4.862 20 0 JJADLO C[C@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC001360584496 1065584459 /nfs/dbraw/zinc/58/44/59/1065584459.db2.gz WVAILOUTHPANOB-QZTJIDSGSA-N 1 2 496.483 4.757 20 0 JJADLO C[C@@H](NC(=O)c1cccnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1)C1CCC(F)CC1 ZINC001438045856 1065659500 /nfs/dbraw/zinc/65/95/00/1065659500.db2.gz SBPJYGAOFSUSOU-HOHBBMLPSA-N 1 2 459.009 4.704 20 0 JJADLO COc1cccc(C[NH+]2CCN(C(=O)c3cc(NC(=O)OC(C)(C)C)ccc3Cl)CC2)c1 ZINC001438149121 1065680670 /nfs/dbraw/zinc/68/06/70/1065680670.db2.gz VVDWLFOYILZHBZ-UHFFFAOYSA-N 1 2 459.974 4.654 20 0 JJADLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)c1cccc(Sc2cccc(Br)c2)n1 ZINC001438576457 1065733618 /nfs/dbraw/zinc/73/36/18/1065733618.db2.gz RJAKILFGZNXDJK-HXUWFJFHSA-N 1 2 454.393 4.912 20 0 JJADLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)c1cccc(Sc2cccc(Br)c2)n1 ZINC001438576457 1065733634 /nfs/dbraw/zinc/73/36/34/1065733634.db2.gz RJAKILFGZNXDJK-HXUWFJFHSA-N 1 2 454.393 4.912 20 0 JJADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@@H](Oc1ccc(Br)cc1)c1ccccc1 ZINC001438581002 1065734336 /nfs/dbraw/zinc/73/43/36/1065734336.db2.gz OEVHXOYPEYIEGY-GOTSBHOMSA-N 1 2 451.364 4.872 20 0 JJADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@@H](Oc1ccc(Br)cc1)c1ccccc1 ZINC001438581002 1065734344 /nfs/dbraw/zinc/73/43/44/1065734344.db2.gz OEVHXOYPEYIEGY-GOTSBHOMSA-N 1 2 451.364 4.872 20 0 JJADLO CCOC(=O)Nc1ccc(Cl)c(C(=O)NCCN(Cc2ccccc2)c2cccc[nH+]2)c1 ZINC001439109209 1065787291 /nfs/dbraw/zinc/78/72/91/1065787291.db2.gz DJRJHMQGUXOEHK-UHFFFAOYSA-N 1 2 452.942 4.740 20 0 JJADLO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)C2CCCCC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001360753408 1065799312 /nfs/dbraw/zinc/79/93/12/1065799312.db2.gz CHGCIRNBGBHQFD-RTBURBONSA-N 1 2 462.038 4.561 20 0 JJADLO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)C2CCCCC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001360753408 1065799319 /nfs/dbraw/zinc/79/93/19/1065799319.db2.gz CHGCIRNBGBHQFD-RTBURBONSA-N 1 2 462.038 4.561 20 0 JJADLO Cc1nc(-c2cccs2)sc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001439270897 1065807481 /nfs/dbraw/zinc/80/74/81/1065807481.db2.gz SCDACQQNTLJUPS-HZPDHXFCSA-N 1 2 451.539 4.973 20 0 JJADLO Cc1nc(-c2cccs2)sc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001439270897 1065807499 /nfs/dbraw/zinc/80/74/99/1065807499.db2.gz SCDACQQNTLJUPS-HZPDHXFCSA-N 1 2 451.539 4.973 20 0 JJADLO COc1ccc(Cl)cc1C(F)(F)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001439271771 1065808142 /nfs/dbraw/zinc/80/81/42/1065808142.db2.gz FWYQLPROCHQXQO-IAGOWNOFSA-N 1 2 462.846 4.620 20 0 JJADLO COc1ccc(Cl)cc1C(F)(F)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001439271771 1065808147 /nfs/dbraw/zinc/80/81/47/1065808147.db2.gz FWYQLPROCHQXQO-IAGOWNOFSA-N 1 2 462.846 4.620 20 0 JJADLO CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(C(=O)c2ccc(Cn3ccc(C(F)(F)F)n3)cc2)C1 ZINC001440167466 1065919110 /nfs/dbraw/zinc/91/91/10/1065919110.db2.gz FUMYIOQHQVMJDK-LJQANCHMSA-N 1 2 459.516 4.922 20 0 JJADLO Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@@H](c3cccc(Cl)c3)[NH+](C)C)cc2)cc1 ZINC001440520686 1065946605 /nfs/dbraw/zinc/94/66/05/1065946605.db2.gz QEQAWIJOMAPUAX-JOCHJYFZSA-N 1 2 457.983 4.691 20 0 JJADLO O=C(c1cc(Oc2cccc(Br)c2)ccn1)N1CC[NH+](Cc2cccs2)CC1 ZINC001440614386 1065954130 /nfs/dbraw/zinc/95/41/30/1065954130.db2.gz DQWRHMCYTSHPFC-UHFFFAOYSA-N 1 2 458.381 4.656 20 0 JJADLO Cc1cccc(CCCn2c([C@@H]3CCCCO3)nnc2N2CCC(C)=C(Br)C2)[nH+]1 ZINC001360854016 1065971813 /nfs/dbraw/zinc/97/18/13/1065971813.db2.gz QDCJSXWGNBGGHA-FQEVSTJZSA-N 1 2 460.420 4.735 20 0 JJADLO CCOc1ccc(C[NH+]2CCN(C(=O)c3cnn(-c4ccc(Cl)cc4Cl)c3)CC2)cc1 ZINC001440734341 1065972267 /nfs/dbraw/zinc/97/22/67/1065972267.db2.gz DSBFFJXKBHRKGZ-UHFFFAOYSA-N 1 2 459.377 4.536 20 0 JJADLO CCOc1ccc(C[NH+]2CCN(C(=O)CCCOc3ccc(Cl)cc3Cl)CC2)cc1 ZINC001440738656 1065973941 /nfs/dbraw/zinc/97/39/41/1065973941.db2.gz SDNFYYTVBMHTDB-UHFFFAOYSA-N 1 2 451.394 4.896 20 0 JJADLO Cc1cccc(O[C@H](C)c2nnc(N(C)CC(C)(C)C)n2Cc2ccc(N3CCOCC3)[nH+]c2)c1C ZINC001360865652 1065985279 /nfs/dbraw/zinc/98/52/79/1065985279.db2.gz GJKWGDAKYXFPLG-JOCHJYFZSA-N 1 2 492.668 4.797 20 0 JJADLO Cc1ccccc1-n1ccnc1SCC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC001440871708 1065987053 /nfs/dbraw/zinc/98/70/53/1065987053.db2.gz SSPNFEGHPZATNF-UHFFFAOYSA-N 1 2 455.027 4.661 20 0 JJADLO Cc1ccccc1-n1ccnc1SCC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC001440871708 1065987061 /nfs/dbraw/zinc/98/70/61/1065987061.db2.gz SSPNFEGHPZATNF-UHFFFAOYSA-N 1 2 455.027 4.661 20 0 JJADLO Cc1cccc(O[C@@H](C)c2nnc(N3C[C@H](C)C[C@H](C)C3)n2CC(C)(C)[NH+]2CCOCC2)c1C ZINC001360870982 1066004135 /nfs/dbraw/zinc/00/41/35/1066004135.db2.gz RWUOZYGUYAQQHM-MZKRTTBSSA-N 1 2 469.674 4.628 20 0 JJADLO O=C(c1ccccc1O)N1CC[NH+](Cc2ccc(-c3ccc(Br)cc3)s2)CC1 ZINC001441099574 1066007376 /nfs/dbraw/zinc/00/73/76/1066007376.db2.gz FECDDMSTJDYQNO-UHFFFAOYSA-N 1 2 457.393 4.841 20 0 JJADLO O=C(c1cc(C(F)(F)F)n[nH]1)N1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC001441120593 1066009214 /nfs/dbraw/zinc/00/92/14/1066009214.db2.gz WFHLYOVDHRDLAU-UHFFFAOYSA-N 1 2 454.905 4.768 20 0 JJADLO O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C1=Cc2ccccc2O[C@@H]1C(F)F ZINC001441318274 1066027298 /nfs/dbraw/zinc/02/72/98/1066027298.db2.gz KCZHXDQQNGVTTQ-RXVVDRJESA-N 1 2 450.888 4.842 20 0 JJADLO COc1cc(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)c(C(=O)N2[C@H](C)CCC[C@@H]2C)cc1OC ZINC001441321923 1066027819 /nfs/dbraw/zinc/02/78/19/1066027819.db2.gz LWFRUVDYDRISAB-LVCYWYKZSA-N 1 2 456.587 4.529 20 0 JJADLO CN(C)c1ccc([NH+]2CCC(NC(=O)c3cc(F)c(Br)c(Cl)c3)CC2)cc1 ZINC001360881676 1066034390 /nfs/dbraw/zinc/03/43/90/1066034390.db2.gz UXXSMJYYRKOLCU-UHFFFAOYSA-N 1 2 454.771 4.706 20 0 JJADLO Cc1cccc(O[C@H](C)c2nnc(N3CCC(C)=C(C)C3)n2CC(C)(C)[NH+]2CCOCC2)c1C ZINC001360883699 1066037944 /nfs/dbraw/zinc/03/79/44/1066037944.db2.gz WSVWHGPTEAYUFB-HSZRJFAPSA-N 1 2 467.658 4.692 20 0 JJADLO CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC001441417089 1066039315 /nfs/dbraw/zinc/03/93/15/1066039315.db2.gz GNTYGFVBANXMTE-HNNXBMFYSA-N 1 2 451.276 4.561 20 0 JJADLO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(C)=C(C)C3)n2CC[N@@H+]2CCOC[C@@H]2C)c1 ZINC001360892124 1066043643 /nfs/dbraw/zinc/04/36/43/1066043643.db2.gz MKBBLCKVZCFEFN-QHCPKHFHSA-N 1 2 467.658 4.556 20 0 JJADLO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(C)=C(C)C3)n2CC[N@H+]2CCOC[C@@H]2C)c1 ZINC001360892124 1066043657 /nfs/dbraw/zinc/04/36/57/1066043657.db2.gz MKBBLCKVZCFEFN-QHCPKHFHSA-N 1 2 467.658 4.556 20 0 JJADLO CCc1c(C(=O)N(CC)C2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cnn1CCC(C)C ZINC001360907078 1066061416 /nfs/dbraw/zinc/06/14/16/1066061416.db2.gz UCBSQZBXJMNMFD-UHFFFAOYSA-N 1 2 454.663 4.845 20 0 JJADLO CCOc1c(Cl)cc(CNC(=O)c2c3ccccc3nc3c2C[N@H+](CC)CC3)cc1OC ZINC001441814862 1066072502 /nfs/dbraw/zinc/07/25/02/1066072502.db2.gz MGQMJTZTMNMDEO-UHFFFAOYSA-N 1 2 453.970 4.604 20 0 JJADLO CCOc1c(Cl)cc(CNC(=O)c2c3ccccc3nc3c2C[N@@H+](CC)CC3)cc1OC ZINC001441814862 1066072517 /nfs/dbraw/zinc/07/25/17/1066072517.db2.gz MGQMJTZTMNMDEO-UHFFFAOYSA-N 1 2 453.970 4.604 20 0 JJADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3cc4ccc(C(F)(F)F)cc4[nH]c3=O)n2)C1 ZINC001442017714 1066085810 /nfs/dbraw/zinc/08/58/10/1066085810.db2.gz IVKCLMZTSGXMDG-LBPRGKRZSA-N 1 2 450.486 4.900 20 0 JJADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cc4ccc(C(F)(F)F)cc4[nH]c3=O)n2)C1 ZINC001442017714 1066085821 /nfs/dbraw/zinc/08/58/21/1066085821.db2.gz IVKCLMZTSGXMDG-LBPRGKRZSA-N 1 2 450.486 4.900 20 0 JJADLO Cc1c(I)cccc1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC001442021597 1066085926 /nfs/dbraw/zinc/08/59/26/1066085926.db2.gz QWWJQPUWZHJLIA-GFCCVEGCSA-N 1 2 455.365 4.540 20 0 JJADLO Cc1c(I)cccc1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC001442021597 1066085936 /nfs/dbraw/zinc/08/59/36/1066085936.db2.gz QWWJQPUWZHJLIA-GFCCVEGCSA-N 1 2 455.365 4.540 20 0 JJADLO CC(C)(C)OC(=O)N1C[C@@H](CC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c2ccccc21 ZINC001442026409 1066086618 /nfs/dbraw/zinc/08/66/18/1066086618.db2.gz ZUGVETDYCQAGCB-QGZVFWFLSA-N 1 2 456.612 4.997 20 0 JJADLO Cc1ncsc1CN(C)c1nnc([C@@H]2CCCCO2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001360940532 1066097431 /nfs/dbraw/zinc/09/74/31/1066097431.db2.gz NFNMXJZQDCLINI-MOPGFXCFSA-N 1 2 476.597 4.502 20 0 JJADLO Cc1[nH]c(-c2cccc(NC(=O)C[C@H](NC(=O)c3ccc(O)cc3)c3ccccc3)c2)[nH+]c1C ZINC001442238152 1066106631 /nfs/dbraw/zinc/10/66/31/1066106631.db2.gz ZZTLDRDZTAYHCM-DEOSSOPVSA-N 1 2 454.530 4.899 20 0 JJADLO C[C@H](NC(=O)c1sc(-c2ccccc2)nc1C(F)F)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001360963234 1066122690 /nfs/dbraw/zinc/12/26/90/1066122690.db2.gz CIVBWFQPSMBPDN-LPHOPBHVSA-N 1 2 457.546 4.767 20 0 JJADLO C[C@H](NC(=O)c1sc(-c2ccccc2)nc1C(F)F)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001360963234 1066122695 /nfs/dbraw/zinc/12/26/95/1066122695.db2.gz CIVBWFQPSMBPDN-LPHOPBHVSA-N 1 2 457.546 4.767 20 0 JJADLO C[C@@H](NC(=O)c1sc(-c2ccccc2)nc1C(F)F)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001360963233 1066122808 /nfs/dbraw/zinc/12/28/08/1066122808.db2.gz CIVBWFQPSMBPDN-APWZRJJASA-N 1 2 457.546 4.767 20 0 JJADLO C[C@@H](NC(=O)c1sc(-c2ccccc2)nc1C(F)F)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001360963233 1066122814 /nfs/dbraw/zinc/12/28/14/1066122814.db2.gz CIVBWFQPSMBPDN-APWZRJJASA-N 1 2 457.546 4.767 20 0 JJADLO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)CCC(C)C)n1C[C@H](C)[NH+]1CCOCC1 ZINC001360990846 1066169268 /nfs/dbraw/zinc/16/92/68/1066169268.db2.gz ZYTCPVZYWVRJAZ-SFTDATJTSA-N 1 2 478.081 4.891 20 0 JJADLO O=C(Cc1ccc(OCCOc2ccccc2)cc1)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001454264201 1066259916 /nfs/dbraw/zinc/25/99/16/1066259916.db2.gz JKUJHIZTKRRWNR-VWLOTQADSA-N 1 2 450.966 4.513 20 0 JJADLO O=C(c1cc(Br)ccc1Br)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001454266021 1066260069 /nfs/dbraw/zinc/26/00/69/1066260069.db2.gz OZIGAVGJYGGSFI-MRXNPFEDSA-N 1 2 458.581 4.652 20 0 JJADLO CC[C@]1(C)CC[C@H](Cn2c(N3CC[NH+](Cc4cccc(Cl)c4)CC3)nnc2C(C)(C)C)O1 ZINC001546059231 1066263118 /nfs/dbraw/zinc/26/31/18/1066263118.db2.gz GVZPKAQUJAWYDX-PXDATVDWSA-N 1 2 460.066 4.899 20 0 JJADLO Cc1nc(NCc2cccc(C(=O)N3CCO[C@@H](c4ccc(Cl)c(Cl)c4)C3)c2)cc[nH+]1 ZINC001443092709 1066265845 /nfs/dbraw/zinc/26/58/45/1066265845.db2.gz HZJFTYPMKMRHKL-OAQYLSRUSA-N 1 2 457.361 4.918 20 0 JJADLO O=C(NCCn1c[nH+]cc1-c1ccccc1)c1ccc(OC(F)(F)F)cc1Br ZINC001454323001 1066269651 /nfs/dbraw/zinc/26/96/51/1066269651.db2.gz TYUNHVFUOLMRBJ-UHFFFAOYSA-N 1 2 454.246 4.641 20 0 JJADLO COc1cccc([C@@H]2CN(C(=O)c3cccc(Oc4ccc(Cl)c(Cl)c4)n3)CC[NH2+]2)c1 ZINC001454475679 1066289282 /nfs/dbraw/zinc/28/92/82/1066289282.db2.gz OMRQPNASYFSFNO-NRFANRHFSA-N 1 2 458.345 4.976 20 0 JJADLO O=C(NCCCCNc1cccc[nH+]1)[C@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1 ZINC001443407173 1066306742 /nfs/dbraw/zinc/30/67/42/1066306742.db2.gz LLWGGEXVTAURGN-IGKIAQTJSA-N 1 2 456.590 4.570 20 0 JJADLO C[NH+]1CCN(c2ccnc(NC(=O)[C@H](Sc3cc(F)ccc3F)c3ccccc3)c2)CC1 ZINC001454649890 1066314437 /nfs/dbraw/zinc/31/44/37/1066314437.db2.gz NSRYNFFSKFCEEF-HSZRJFAPSA-N 1 2 454.546 4.584 20 0 JJADLO C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC001454657010 1066316541 /nfs/dbraw/zinc/31/65/41/1066316541.db2.gz DHXZDYAAPNAALH-YLJYHZDGSA-N 1 2 453.384 4.776 20 0 JJADLO CN(C)C(=O)Nc1cccc(C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001443544236 1066327981 /nfs/dbraw/zinc/32/79/81/1066327981.db2.gz DWAAKPVNJXAMIK-UHFFFAOYSA-N 1 2 453.546 4.622 20 0 JJADLO Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@H](C)[C@H]2C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001361088291 1066330096 /nfs/dbraw/zinc/33/00/96/1066330096.db2.gz HOUVJHCLJRVJPV-AZUAARDMSA-N 1 2 483.060 4.996 20 0 JJADLO CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC001443581838 1066331681 /nfs/dbraw/zinc/33/16/81/1066331681.db2.gz JXKXRNUNBHZXCS-SFHVURJKSA-N 1 2 458.484 4.826 20 0 JJADLO O=C([C@H](O)c1ccc(Cl)cc1F)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC001443627897 1066339046 /nfs/dbraw/zinc/33/90/46/1066339046.db2.gz APBMZLQTLTZPPN-HXUWFJFHSA-N 1 2 454.304 4.621 20 0 JJADLO O=C(C[C@@H](O)c1ccc(Cl)cc1)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC001443633604 1066341235 /nfs/dbraw/zinc/34/12/35/1066341235.db2.gz OZYLFRBEPNIQRX-OAQYLSRUSA-N 1 2 450.341 4.872 20 0 JJADLO CCc1ccc(N(Cc2ccc(C)s2)C(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)cc1 ZINC001443640321 1066343633 /nfs/dbraw/zinc/34/36/33/1066343633.db2.gz GFRCDQVZWKLIPP-HSZRJFAPSA-N 1 2 452.624 4.649 20 0 JJADLO CCc1ccc(N(Cc2ccc(C)s2)C(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)cc1 ZINC001443640321 1066343644 /nfs/dbraw/zinc/34/36/44/1066343644.db2.gz GFRCDQVZWKLIPP-HSZRJFAPSA-N 1 2 452.624 4.649 20 0 JJADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3ccc(Cl)cc3NCC(F)(F)F)CC2)c1 ZINC001443726056 1066357844 /nfs/dbraw/zinc/35/78/44/1066357844.db2.gz DOSBDDRQBKWFIN-OAHLLOKOSA-N 1 2 455.908 4.842 20 0 JJADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3cc(Cl)c(F)cc3Br)CC2)c1 ZINC001443739271 1066361667 /nfs/dbraw/zinc/36/16/67/1066361667.db2.gz YEACZLVPYQUKNA-ZDUSSCGKSA-N 1 2 455.755 4.769 20 0 JJADLO Cc1c(C2CC2)nc2ccc(Br)cc2c1C(=O)NCCCN(C)c1cccc[nH+]1 ZINC001455156045 1066366424 /nfs/dbraw/zinc/36/64/24/1066366424.db2.gz YMWYDAHASSHHBA-UHFFFAOYSA-N 1 2 453.384 4.834 20 0 JJADLO Cc1[nH]c(-c2ccc(NC(=O)CCNC(=O)Nc3ccc(Br)cc3)cc2)[nH+]c1C ZINC001455248392 1066374637 /nfs/dbraw/zinc/37/46/37/1066374637.db2.gz PLAGXAXHKPGOLZ-UHFFFAOYSA-N 1 2 456.344 4.606 20 0 JJADLO Cc1ccc(CN(C)c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@H](C)[NH+]2CCOCC2)o1 ZINC001361123898 1066375646 /nfs/dbraw/zinc/37/56/46/1066375646.db2.gz QKICPEPAKAGGHE-NRFANRHFSA-N 1 2 481.641 4.547 20 0 JJADLO CC[N@H+](CC(=O)N1CCN(C(=O)OC(C)(C)C)CCC12CCC2)Cc1ccccc1Cl ZINC001455254337 1066375924 /nfs/dbraw/zinc/37/59/24/1066375924.db2.gz CDOOKNJUPGIUCV-UHFFFAOYSA-N 1 2 450.023 4.554 20 0 JJADLO CC[N@@H+](CC(=O)N1CCN(C(=O)OC(C)(C)C)CCC12CCC2)Cc1ccccc1Cl ZINC001455254337 1066375939 /nfs/dbraw/zinc/37/59/39/1066375939.db2.gz CDOOKNJUPGIUCV-UHFFFAOYSA-N 1 2 450.023 4.554 20 0 JJADLO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC001443873980 1066379036 /nfs/dbraw/zinc/37/90/36/1066379036.db2.gz AYGAZLAOAPRXFE-DBVUQKKJSA-N 1 2 468.013 4.643 20 0 JJADLO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC001443873980 1066379048 /nfs/dbraw/zinc/37/90/48/1066379048.db2.gz AYGAZLAOAPRXFE-DBVUQKKJSA-N 1 2 468.013 4.643 20 0 JJADLO O=C(Cc1cc(F)ccc1Br)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC001443888222 1066380991 /nfs/dbraw/zinc/38/09/91/1066380991.db2.gz NAJGCZBHPOCHAD-KRWDZBQOSA-N 1 2 457.746 4.704 20 0 JJADLO O=C(Cc1cc(F)ccc1Br)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC001443888222 1066380998 /nfs/dbraw/zinc/38/09/98/1066380998.db2.gz NAJGCZBHPOCHAD-KRWDZBQOSA-N 1 2 457.746 4.704 20 0 JJADLO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC001443883233 1066381431 /nfs/dbraw/zinc/38/14/31/1066381431.db2.gz KLUDVWSQQCBZNH-AHRSYUTCSA-N 1 2 468.013 4.643 20 0 JJADLO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC001443883233 1066381442 /nfs/dbraw/zinc/38/14/42/1066381442.db2.gz KLUDVWSQQCBZNH-AHRSYUTCSA-N 1 2 468.013 4.643 20 0 JJADLO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@H](CC(C)C)C3)n2CC[N@@H+]2CCOC[C@@H]2C)c1 ZINC001361126046 1066381867 /nfs/dbraw/zinc/38/18/67/1066381867.db2.gz JPRWYCLEGYNHGG-BJKOFHAPSA-N 1 2 483.701 4.882 20 0 JJADLO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@H](CC(C)C)C3)n2CC[N@H+]2CCOC[C@@H]2C)c1 ZINC001361126046 1066381888 /nfs/dbraw/zinc/38/18/88/1066381888.db2.gz JPRWYCLEGYNHGG-BJKOFHAPSA-N 1 2 483.701 4.882 20 0 JJADLO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@H](CC(C)C)C3)n2C[C@H](C)[NH+]2CCOCC2)c1 ZINC001361126246 1066383052 /nfs/dbraw/zinc/38/30/52/1066383052.db2.gz OZILTCXQUJJYFJ-ZEQRLZLVSA-N 1 2 483.701 4.882 20 0 JJADLO Cc1c2ccccc2oc1[C@@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1)C(C)C ZINC001443923998 1066385759 /nfs/dbraw/zinc/38/57/59/1066385759.db2.gz GUVXWJZCRDDBNS-GMAHTHKFSA-N 1 2 450.583 4.585 20 0 JJADLO Cc1c2ccccc2oc1[C@@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1)C(C)C ZINC001443923998 1066385777 /nfs/dbraw/zinc/38/57/77/1066385777.db2.gz GUVXWJZCRDDBNS-GMAHTHKFSA-N 1 2 450.583 4.585 20 0 JJADLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@@H](CC(C)C)NC(=O)c2ccccc2C)CC1 ZINC001455460469 1066393261 /nfs/dbraw/zinc/39/32/61/1066393261.db2.gz BTYZANJYMRXSEG-JWQCQUIFSA-N 1 2 453.602 4.574 20 0 JJADLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2csc(COc3ccc(F)cc3)n2)CC1 ZINC001455469658 1066395279 /nfs/dbraw/zinc/39/52/79/1066395279.db2.gz WFQAEYWDMXHHJB-QFIPXVFZSA-N 1 2 457.546 4.909 20 0 JJADLO C[C@@H](CN(C)C(=O)[C@H](Cc1cn(Cc2ccccc2)c[nH+]1)NC(=O)OC(C)(C)C)C(C)(C)C ZINC001455521975 1066403772 /nfs/dbraw/zinc/40/37/72/1066403772.db2.gz MEERIOQUFIBNIB-UGKGYDQZSA-N 1 2 456.631 4.508 20 0 JJADLO Cc1ccc([C@H](Cn2c(Cc3ccsc3)nnc2N(C)CCC(F)(F)F)[NH+]2CCOCC2)cc1 ZINC001361141244 1066419977 /nfs/dbraw/zinc/41/99/77/1066419977.db2.gz LRTSZAGFJMNLRM-NRFANRHFSA-N 1 2 493.599 4.701 20 0 JJADLO Cc1nc(-c2ccc(Br)cc2)c(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)n1C ZINC001444269981 1066440467 /nfs/dbraw/zinc/44/04/67/1066440467.db2.gz ZOYBBAOJCGRLNN-UHFFFAOYSA-N 1 2 450.340 4.655 20 0 JJADLO CC[C@@H](CC(=O)N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1)c1ccc(OC)cc1 ZINC001444348655 1066453114 /nfs/dbraw/zinc/45/31/14/1066453114.db2.gz DGEKBPVDIGSQQI-IBGZPJMESA-N 1 2 455.002 4.615 20 0 JJADLO CC[C@@H](CC(=O)N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1)c1ccc(OC)cc1 ZINC001444348655 1066453120 /nfs/dbraw/zinc/45/31/20/1066453120.db2.gz DGEKBPVDIGSQQI-IBGZPJMESA-N 1 2 455.002 4.615 20 0 JJADLO CC(=O)Nc1ccc(N(Cc2ccc(Br)cc2)C(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC001456008210 1066471115 /nfs/dbraw/zinc/47/11/15/1066471115.db2.gz MREDUYZFJBUPOV-MRXNPFEDSA-N 1 2 455.356 4.789 20 0 JJADLO Cc1ccc(-c2nnc(N(C)C3CCC3)n2CCCNc2cccc[nH+]2)cc1Br ZINC001361170379 1066485078 /nfs/dbraw/zinc/48/50/78/1066485078.db2.gz HAXRXAWGQIVNCM-UHFFFAOYSA-N 1 2 455.404 4.902 20 0 JJADLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@H](C)Oc1cccc(Cl)c1Cl ZINC001361173083 1066490642 /nfs/dbraw/zinc/49/06/42/1066490642.db2.gz NCZPSBSCBAFIOA-MSOLQXFVSA-N 1 2 451.394 4.510 20 0 JJADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccccc1C(=O)c1ccc(OC)cc1 ZINC001444801014 1066505679 /nfs/dbraw/zinc/50/56/79/1066505679.db2.gz IACJVCNOVMHCEO-UHFFFAOYSA-N 1 2 457.574 4.700 20 0 JJADLO CC[C@]1(C)CCN(c2nnc(CSc3ccc(C)cc3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001546079308 1066507517 /nfs/dbraw/zinc/50/75/17/1066507517.db2.gz JLIQLOMIUBRZDR-RUZDIDTESA-N 1 2 457.688 4.616 20 0 JJADLO C[C@H]1CCN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)CC[N@@H+]1Cc1ccccc1 ZINC001444893532 1066516417 /nfs/dbraw/zinc/51/64/17/1066516417.db2.gz SSVFLUZUNGQJGK-KRWDZBQOSA-N 1 2 453.384 4.576 20 0 JJADLO C[C@H]1CCN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)CC[N@H+]1Cc1ccccc1 ZINC001444893532 1066516420 /nfs/dbraw/zinc/51/64/20/1066516420.db2.gz SSVFLUZUNGQJGK-KRWDZBQOSA-N 1 2 453.384 4.576 20 0 JJADLO CC[C@]1(C)CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001546079972 1066520598 /nfs/dbraw/zinc/52/05/98/1066520598.db2.gz XULRPKJODCMSOJ-KDYSTLNUSA-N 1 2 469.674 4.502 20 0 JJADLO CC[C@]1(C)CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001546079972 1066520613 /nfs/dbraw/zinc/52/06/13/1066520613.db2.gz XULRPKJODCMSOJ-KDYSTLNUSA-N 1 2 469.674 4.502 20 0 JJADLO C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)Oc1ccccc1Br ZINC001445341102 1066559413 /nfs/dbraw/zinc/55/94/13/1066559413.db2.gz YLOBIMPDUPZPBN-HNAYVOBHSA-N 1 2 451.792 4.651 20 0 JJADLO C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)Oc1ccccc1Br ZINC001445341102 1066559419 /nfs/dbraw/zinc/55/94/19/1066559419.db2.gz YLOBIMPDUPZPBN-HNAYVOBHSA-N 1 2 451.792 4.651 20 0 JJADLO Cc1ccc(CCn2c(CC(C)(C)C)nnc2N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)cc1 ZINC001361243221 1066584656 /nfs/dbraw/zinc/58/46/56/1066584656.db2.gz KGZPEJFMUQTWLN-QHCPKHFHSA-N 1 2 481.710 4.989 20 0 JJADLO O=C(NCc1ccccc1-c1ccc(Cl)cc1Cl)c1cccn1CC[NH+]1CCOCC1 ZINC001446103954 1066660937 /nfs/dbraw/zinc/66/09/37/1066660937.db2.gz FJQGGSJLRPFJRM-UHFFFAOYSA-N 1 2 458.389 4.724 20 0 JJADLO CC(C)(C)OC(=O)NCCc1ccccc1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC001446279030 1066684569 /nfs/dbraw/zinc/68/45/69/1066684569.db2.gz ZEAFRAYFEXZIOO-UHFFFAOYSA-N 1 2 458.562 4.921 20 0 JJADLO CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC001446295481 1066686812 /nfs/dbraw/zinc/68/68/12/1066686812.db2.gz VZHCDYCAFQDONE-QFIPXVFZSA-N 1 2 457.018 4.576 20 0 JJADLO Cc1cn2c([nH+]1)[C@H](Cn1c(COc3ccc(Cl)cc3)nnc1N(C)CCOC(C)(C)C)CCC2 ZINC001492628851 1066700809 /nfs/dbraw/zinc/70/08/09/1066700809.db2.gz ODZIWPHEUBUOEE-IBGZPJMESA-N 1 2 487.048 4.844 20 0 JJADLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC001446520135 1066714890 /nfs/dbraw/zinc/71/48/90/1066714890.db2.gz YPHCGKDCPPXFSV-MZNJEOGPSA-N 1 2 452.002 4.806 20 0 JJADLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC001446520135 1066714903 /nfs/dbraw/zinc/71/49/03/1066714903.db2.gz YPHCGKDCPPXFSV-MZNJEOGPSA-N 1 2 452.002 4.806 20 0 JJADLO Cc1csc([C@@H](C)Cn2c(C(C)C)nnc2N2CC[NH+](CCOc3ccccc3Cl)CC2)n1 ZINC001492637486 1066723512 /nfs/dbraw/zinc/72/35/12/1066723512.db2.gz SAYWTPINNGJREL-SFHVURJKSA-N 1 2 489.089 4.825 20 0 JJADLO Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)N3CC[N@@H+](C)[C@@H](C)[C@H]3C)cc12 ZINC001446963413 1066759084 /nfs/dbraw/zinc/75/90/84/1066759084.db2.gz FDEUFMZJPWXRBY-UONOGXRCSA-N 1 2 451.423 4.926 20 0 JJADLO Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)N3CC[N@H+](C)[C@@H](C)[C@H]3C)cc12 ZINC001446963413 1066759091 /nfs/dbraw/zinc/75/90/91/1066759091.db2.gz FDEUFMZJPWXRBY-UONOGXRCSA-N 1 2 451.423 4.926 20 0 JJADLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(-c2cccc(Cl)c2)n[nH]1 ZINC001545991707 1066766527 /nfs/dbraw/zinc/76/65/27/1066766527.db2.gz XJXASUSSLJPGFM-OSPHWJPCSA-N 1 2 452.002 4.806 20 0 JJADLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(-c2cccc(Cl)c2)n[nH]1 ZINC001545991707 1066766536 /nfs/dbraw/zinc/76/65/36/1066766536.db2.gz XJXASUSSLJPGFM-OSPHWJPCSA-N 1 2 452.002 4.806 20 0 JJADLO CC[C@@H](C(=O)N(Cc1ccccc1)Cc1ccc(Br)cc1)[N@@H+]1CCO[C@@H](CC)C1 ZINC001447035105 1066768627 /nfs/dbraw/zinc/76/86/27/1066768627.db2.gz XYJDHSQGHKYDFU-GOTSBHOMSA-N 1 2 459.428 4.867 20 0 JJADLO CC[C@@H](C(=O)N(Cc1ccccc1)Cc1ccc(Br)cc1)[N@H+]1CCO[C@@H](CC)C1 ZINC001447035105 1066768637 /nfs/dbraw/zinc/76/86/37/1066768637.db2.gz XYJDHSQGHKYDFU-GOTSBHOMSA-N 1 2 459.428 4.867 20 0 JJADLO Cc1ncc(C[NH+]2CCN(c3nnc(CC(C)C)n3[C@@H]3CCC[C@H](C(F)(F)F)C3)CC2)s1 ZINC001492701739 1066859292 /nfs/dbraw/zinc/85/92/92/1066859292.db2.gz DWSFWBHFSDULGY-ZWKOTPCHSA-N 1 2 470.609 4.857 20 0 JJADLO Cc1ncc(C[NH+]2CCN(c3nnc(C(C)(C)C)n3C[C@H](C)c3ccc(F)cc3)CC2)s1 ZINC001492702037 1066859880 /nfs/dbraw/zinc/85/98/80/1066859880.db2.gz PVUZKMPCCHTXCC-KRWDZBQOSA-N 1 2 456.635 4.606 20 0 JJADLO Cc1ncc(C[NH+]2CCN(c3nnc(-c4ccccc4C)n3CCSCC(F)(F)F)CC2)s1 ZINC001492702340 1066860645 /nfs/dbraw/zinc/86/06/45/1066860645.db2.gz YIPFGCUXTASLRZ-UHFFFAOYSA-N 1 2 496.628 4.636 20 0 JJADLO Cc1ncc(C[NH+]2CCN(c3nnc(COc4ccc(Cl)cc4Cl)n3CC(C)C)CC2)s1 ZINC001492703691 1066861848 /nfs/dbraw/zinc/86/18/48/1066861848.db2.gz XEPJQPFAHIQUSX-UHFFFAOYSA-N 1 2 495.480 4.907 20 0 JJADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)c3cc4c(s3)CC[C@@H](C(C)(C)C)C4)c2)CC1 ZINC001447813204 1066865165 /nfs/dbraw/zinc/86/51/65/1066865165.db2.gz YNOMZWLYYDKOAR-OAQYLSRUSA-N 1 2 453.652 4.816 20 0 JJADLO Cc1nc(NCc2cccc(C(=O)Nc3cc(-c4ccc(OC(F)F)cc4)no3)c2)cc[nH+]1 ZINC001457657490 1066891667 /nfs/dbraw/zinc/89/16/67/1066891667.db2.gz KLEKTQHGDGNWJE-UHFFFAOYSA-N 1 2 451.433 4.906 20 0 JJADLO C[C@H](NC(=O)[C@@H]1[C@H]2CCCC[C@H]2CCN1C(=O)OC(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC001457724710 1066905180 /nfs/dbraw/zinc/90/51/80/1066905180.db2.gz KVOAKENOZOZOKV-HMNCIZAVSA-N 1 2 452.599 4.865 20 0 JJADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC001457780519 1066918395 /nfs/dbraw/zinc/91/83/95/1066918395.db2.gz HAEZEMXGYHHBPU-UHFFFAOYSA-N 1 2 456.468 4.895 20 0 JJADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)C[C@@H](NC(N)=O)c1cccc(Oc2ccccc2)c1 ZINC001457784126 1066918895 /nfs/dbraw/zinc/91/88/95/1066918895.db2.gz XVWSFARMAOPPJG-HSZRJFAPSA-N 1 2 455.518 4.916 20 0 JJADLO CCc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)cc1 ZINC001448354228 1066919088 /nfs/dbraw/zinc/91/90/88/1066919088.db2.gz MKKAQNYDSHMZKW-PKTZIBPZSA-N 1 2 454.615 4.853 20 0 JJADLO CC[N@H+](C)[C@H](C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2)c(F)cc1C)c1ccccc1 ZINC001448617164 1066942763 /nfs/dbraw/zinc/94/27/63/1066942763.db2.gz BPSFVQJUIWFTBT-QHCPKHFHSA-N 1 2 455.555 4.566 20 0 JJADLO CC[N@@H+](C)[C@H](C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2)c(F)cc1C)c1ccccc1 ZINC001448617164 1066942773 /nfs/dbraw/zinc/94/27/73/1066942773.db2.gz BPSFVQJUIWFTBT-QHCPKHFHSA-N 1 2 455.555 4.566 20 0 JJADLO O=C(c1cc(Cl)ncc1Br)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC001448620982 1066943955 /nfs/dbraw/zinc/94/39/55/1066943955.db2.gz OUOZKEZVNLMYMG-UHFFFAOYSA-N 1 2 454.155 4.690 20 0 JJADLO COc1ccc(-c2ncc(C(=O)N3C[C@@H](C)[N@H+](Cc4ccccc4)C[C@@H]3C)s2)cc1OC ZINC001457997868 1066954631 /nfs/dbraw/zinc/95/46/31/1066954631.db2.gz IKECOIVDRKCNLK-MSOLQXFVSA-N 1 2 451.592 4.562 20 0 JJADLO COc1ccc(-c2ncc(C(=O)N3C[C@@H](C)[N@@H+](Cc4ccccc4)C[C@@H]3C)s2)cc1OC ZINC001457997868 1066954639 /nfs/dbraw/zinc/95/46/39/1066954639.db2.gz IKECOIVDRKCNLK-MSOLQXFVSA-N 1 2 451.592 4.562 20 0 JJADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@H](Oc2cccc(Cl)c2Cl)c2ccccc2)C[C@H](C)O1 ZINC001448927619 1066970968 /nfs/dbraw/zinc/97/09/68/1066970968.db2.gz DJAZDOITDNEKJI-HYFFOGBASA-N 1 2 451.394 4.681 20 0 JJADLO C[C@@H]1C[N@H+](CCN(C)C(=O)[C@H](Oc2cccc(Cl)c2Cl)c2ccccc2)C[C@H](C)O1 ZINC001448927619 1066970975 /nfs/dbraw/zinc/97/09/75/1066970975.db2.gz DJAZDOITDNEKJI-HYFFOGBASA-N 1 2 451.394 4.681 20 0 JJADLO CC[C@H](c1nnc(N(C)CC(C)(C)C)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1)c1ccccc1 ZINC001545720453 1066974786 /nfs/dbraw/zinc/97/47/86/1066974786.db2.gz XEIIQFNZWVCQEX-YADHBBJMSA-N 1 2 476.673 4.803 20 0 JJADLO CC[C@H](c1nnc(N(C)CC(C)(C)C)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1)c1ccccc1 ZINC001545720453 1066974794 /nfs/dbraw/zinc/97/47/94/1066974794.db2.gz XEIIQFNZWVCQEX-YADHBBJMSA-N 1 2 476.673 4.803 20 0 JJADLO CC[C@@H](c1nnc(N(CC(C)C)C2CCCC2)n1CC[N@@H+]1CCOC[C@@H]1C)c1ccccc1 ZINC001545728558 1066985823 /nfs/dbraw/zinc/98/58/23/1066985823.db2.gz NKWBYEOUHRHWJG-WIOPSUGQSA-N 1 2 453.675 4.946 20 0 JJADLO CC[C@@H](c1nnc(N(CC(C)C)C2CCCC2)n1CC[N@H+]1CCOC[C@@H]1C)c1ccccc1 ZINC001545728558 1066985833 /nfs/dbraw/zinc/98/58/33/1066985833.db2.gz NKWBYEOUHRHWJG-WIOPSUGQSA-N 1 2 453.675 4.946 20 0 JJADLO CCc1nc2ccc(C(=O)N3CC[N@@H+](Cc4ccc(C)nc4)C[C@@H]3[C@@H](C)CC)cc2nc1CC ZINC001458152121 1066989228 /nfs/dbraw/zinc/98/92/28/1066989228.db2.gz GHFOLHJEFWXAGQ-UZTOHYMASA-N 1 2 459.638 4.831 20 0 JJADLO CCc1nc2ccc(C(=O)N3CC[N@H+](Cc4ccc(C)nc4)C[C@@H]3[C@@H](C)CC)cc2nc1CC ZINC001458152121 1066989240 /nfs/dbraw/zinc/98/92/40/1066989240.db2.gz GHFOLHJEFWXAGQ-UZTOHYMASA-N 1 2 459.638 4.831 20 0 JJADLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C(=O)OC(C)(C)C)cc1 ZINC001458154598 1066990302 /nfs/dbraw/zinc/99/03/02/1066990302.db2.gz OMEMKPQZPKMLRW-CYFREDJKSA-N 1 2 451.611 4.718 20 0 JJADLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C(=O)OC(C)(C)C)cc1 ZINC001458154598 1066990309 /nfs/dbraw/zinc/99/03/09/1066990309.db2.gz OMEMKPQZPKMLRW-CYFREDJKSA-N 1 2 451.611 4.718 20 0 JJADLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cnc(OCC(C)C)c(Cl)c1 ZINC001458155682 1066990834 /nfs/dbraw/zinc/99/08/34/1066990834.db2.gz RDLBXPOKSHERPT-FDDCHVKYSA-N 1 2 459.034 4.846 20 0 JJADLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cnc(OCC(C)C)c(Cl)c1 ZINC001458155682 1066990841 /nfs/dbraw/zinc/99/08/41/1066990841.db2.gz RDLBXPOKSHERPT-FDDCHVKYSA-N 1 2 459.034 4.846 20 0 JJADLO Cc1nc(NC[C@@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)c(Br)c(C)[nH+]1 ZINC001458162842 1066993577 /nfs/dbraw/zinc/99/35/77/1066993577.db2.gz CQQULNWEBKIMFE-KRWDZBQOSA-N 1 2 453.812 4.773 20 0 JJADLO C[C@H]1CCCC[C@H]1OCC(=O)N1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC001458173417 1066996393 /nfs/dbraw/zinc/99/63/93/1066996393.db2.gz OZZYGBANLRBXRX-JYFHCDHNSA-N 1 2 450.623 4.532 20 0 JJADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)C2CCC(NC(=O)CC3CCCC3)CC2)c(C)c1 ZINC001458178751 1066998231 /nfs/dbraw/zinc/99/82/31/1066998231.db2.gz ATIBBLWDPQSAOP-OOEPIQFGSA-N 1 2 450.627 4.613 20 0 JJADLO Cc1cc(C)cc(OCCC(=O)N(CCn2cc[nH+]c2)Cc2ccccc2Br)c1 ZINC001449370691 1067004976 /nfs/dbraw/zinc/00/49/76/1067004976.db2.gz VGBMXSVJXZYGTL-UHFFFAOYSA-N 1 2 456.384 4.760 20 0 JJADLO CC[C@H](c1nnc(N2CCC[C@@H](CNC(C)=O)C2)n1CCCc1cccc(C)[nH+]1)c1ccccc1 ZINC001545746361 1067014146 /nfs/dbraw/zinc/01/41/46/1067014146.db2.gz NQBRRQPDWWTZQC-OZXSUGGESA-N 1 2 474.653 4.509 20 0 JJADLO CC[C@@H](c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1CC[S@](=O)C(C)(C)C)c1ccccc1 ZINC001545759096 1067041008 /nfs/dbraw/zinc/04/10/08/1067041008.db2.gz RRRXVNLDRRREGF-NHOCJEJCSA-N 1 2 499.750 4.751 20 0 JJADLO CCCCOc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)c(Cl)c1 ZINC001458452940 1067066714 /nfs/dbraw/zinc/06/67/14/1067066714.db2.gz KMWAQDOILDFIIZ-FCHUYYIVSA-N 1 2 451.394 4.974 20 0 JJADLO CCCCOc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)c(Cl)c1 ZINC001458452940 1067066729 /nfs/dbraw/zinc/06/67/29/1067066729.db2.gz KMWAQDOILDFIIZ-FCHUYYIVSA-N 1 2 451.394 4.974 20 0 JJADLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)CCOc2ccc(Cl)c(Cl)c2)c2ccc(Cl)cc2)C1 ZINC001458454973 1067067310 /nfs/dbraw/zinc/06/73/10/1067067310.db2.gz PAFWYWKWITZGKP-CTNGQTDRSA-N 1 2 457.785 4.604 20 0 JJADLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)CCOc2ccc(Cl)c(Cl)c2)c2ccc(Cl)cc2)C1 ZINC001458454973 1067067327 /nfs/dbraw/zinc/06/73/27/1067067327.db2.gz PAFWYWKWITZGKP-CTNGQTDRSA-N 1 2 457.785 4.604 20 0 JJADLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)CCc2cccc(OC3CCCC3)c2)c2ccc(Cl)cc2)C1 ZINC001458456543 1067067968 /nfs/dbraw/zinc/06/79/68/1067067968.db2.gz SUITUMXINLRMPO-AHWVRZQESA-N 1 2 457.014 4.782 20 0 JJADLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)CCc2cccc(OC3CCCC3)c2)c2ccc(Cl)cc2)C1 ZINC001458456543 1067067982 /nfs/dbraw/zinc/06/79/82/1067067982.db2.gz SUITUMXINLRMPO-AHWVRZQESA-N 1 2 457.014 4.782 20 0 JJADLO CCC(CC)(Cn1c(-c2ccccc2Cl)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1)OC ZINC001545778142 1067073320 /nfs/dbraw/zinc/07/33/20/1067073320.db2.gz YOAFRIOCCOBYNM-UHFFFAOYSA-N 1 2 469.033 4.827 20 0 JJADLO CCC(CC)(Cn1c(CCc2ccccc2)nnc1N1CCN(c2cccc[nH+]2)CC1)SC ZINC001545791321 1067088795 /nfs/dbraw/zinc/08/87/95/1067088795.db2.gz OCKHARMAMKBMOI-UHFFFAOYSA-N 1 2 464.683 4.707 20 0 JJADLO Cc1cc(N(C)C[C@H]2CN(c3ccccc3)C(=O)O2)nc(-c2ccc(Br)cc2)[nH+]1 ZINC001458569134 1067089507 /nfs/dbraw/zinc/08/95/07/1067089507.db2.gz DMTZCAXJLWVITK-IBGZPJMESA-N 1 2 453.340 4.676 20 0 JJADLO CCC(CC)(Cn1c(COc2ccccc2F)nnc1N1CCN(c2cccc[nH+]2)CC1)SC ZINC001545794738 1067093287 /nfs/dbraw/zinc/09/32/87/1067093287.db2.gz NCRIKEKSKWOEJY-UHFFFAOYSA-N 1 2 484.645 4.640 20 0 JJADLO COC(=O)C1(c2ccc(CSc3nnc([C@H](C)[NH+](C)C)n3-c3ccc(F)cc3)cc2)CC1 ZINC001458736636 1067126100 /nfs/dbraw/zinc/12/61/00/1067126100.db2.gz PPFPZBGMRYQSRS-INIZCTEOSA-N 1 2 454.571 4.526 20 0 JJADLO Cc1cc(Br)cn2cc(CCNC(=O)CO[C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)[nH+]c12 ZINC001458817030 1067153786 /nfs/dbraw/zinc/15/37/86/1067153786.db2.gz UIIYNFNAKMTCPA-CWFSZBLJSA-N 1 2 450.421 4.541 20 0 JJADLO C[C@H](c1nnc(SCc2cccc(S(C)(=O)=O)c2)n1-c1ccccc1)[NH+]1CCCCC1 ZINC001458844091 1067169343 /nfs/dbraw/zinc/16/93/43/1067169343.db2.gz JNMISWUVZDKIAE-GOSISDBHSA-N 1 2 456.637 4.510 20 0 JJADLO CCC(CC)NC(=O)c1nnc(N(C)Cc2ccccc2Cl)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001545836225 1067188929 /nfs/dbraw/zinc/18/89/29/1067188929.db2.gz GPKKDROFUSWVPO-UHFFFAOYSA-N 1 2 496.059 4.530 20 0 JJADLO C[C@@H](NC(=O)C[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1)c1cc2ccccc2o1 ZINC001458995754 1067223815 /nfs/dbraw/zinc/22/38/15/1067223815.db2.gz QYMSSNAXTKYFAK-LJQANCHMSA-N 1 2 451.567 4.637 20 0 JJADLO C[C@@H](NC(=O)C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1)c1cc2ccccc2o1 ZINC001458995754 1067223821 /nfs/dbraw/zinc/22/38/21/1067223821.db2.gz QYMSSNAXTKYFAK-LJQANCHMSA-N 1 2 451.567 4.637 20 0 JJADLO CCOc1ccc([C@]2(C(=O)N3CCC(CCCn4cc[nH+]c4)CC3)CC2(Cl)Cl)cc1 ZINC001546105721 1067233384 /nfs/dbraw/zinc/23/33/84/1067233384.db2.gz TXFUMCCVLZBHHX-QFIPXVFZSA-N 1 2 450.410 4.816 20 0 JJADLO Cc1c(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cnn1-c1cccc(Br)c1 ZINC001459295261 1067284321 /nfs/dbraw/zinc/28/43/21/1067284321.db2.gz CUNNZMAJLOBLOX-HNNXBMFYSA-N 1 2 459.413 4.524 20 0 JJADLO COC(=O)[C@@H](c1ccc(Cl)cc1)N1CC[NH+]([C@@H](C)c2cccc(Br)c2)CC1 ZINC001459307177 1067289313 /nfs/dbraw/zinc/28/93/13/1067289313.db2.gz RCKCPDVFOOHSLX-MGPUTAFESA-N 1 2 451.792 4.695 20 0 JJADLO O=C(c1cc(F)ccc1F)C1CC[NH+]([C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1 ZINC001459314329 1067291493 /nfs/dbraw/zinc/29/14/93/1067291493.db2.gz QNAVJKGDWLXHTJ-HXUWFJFHSA-N 1 2 452.423 4.684 20 0 JJADLO COC(=O)c1sc2[nH]c(C[N@H+](Cc3ccc(Cl)c(Cl)c3)C(C)C)nc(=O)c2c1C ZINC001459316620 1067292202 /nfs/dbraw/zinc/29/22/02/1067292202.db2.gz ALXPSOFWUYFLCR-UHFFFAOYSA-N 1 2 454.379 4.797 20 0 JJADLO COC(=O)c1sc2[nH]c(C[N@@H+](Cc3ccc(Cl)c(Cl)c3)C(C)C)nc(=O)c2c1C ZINC001459316620 1067292211 /nfs/dbraw/zinc/29/22/11/1067292211.db2.gz ALXPSOFWUYFLCR-UHFFFAOYSA-N 1 2 454.379 4.797 20 0 JJADLO CC[N@H+](CC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br)Cc1ccccc1Cl ZINC001453363914 1067300850 /nfs/dbraw/zinc/30/08/50/1067300850.db2.gz FPSDEXXIJHWZOL-WBVHZDCISA-N 1 2 478.656 4.516 20 0 JJADLO CC[N@@H+](CC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Br)Br)Cc1ccccc1Cl ZINC001453363914 1067300862 /nfs/dbraw/zinc/30/08/62/1067300862.db2.gz FPSDEXXIJHWZOL-WBVHZDCISA-N 1 2 478.656 4.516 20 0 JJADLO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)CC(=O)N[C@H](c1nccs1)c1ccccc1 ZINC001459356637 1067302265 /nfs/dbraw/zinc/30/22/65/1067302265.db2.gz WVGDZCRBTGZUKR-VWLOTQADSA-N 1 2 459.619 4.592 20 0 JJADLO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)CC(=O)N[C@H](c1nccs1)c1ccccc1 ZINC001459356637 1067302273 /nfs/dbraw/zinc/30/22/73/1067302273.db2.gz WVGDZCRBTGZUKR-VWLOTQADSA-N 1 2 459.619 4.592 20 0 JJADLO Cc1ccsc1CNC(=O)CN1CC[NH+]([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC001459411959 1067316809 /nfs/dbraw/zinc/31/68/09/1067316809.db2.gz BCQNNIMPWMMZEV-VWLOTQADSA-N 1 2 454.039 4.733 20 0 JJADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cc(Br)ccc2Cl)[C@@H](C)C1 ZINC001459413373 1067317377 /nfs/dbraw/zinc/31/73/77/1067317377.db2.gz FTCRSLRMDNXBGV-HNNXBMFYSA-N 1 2 451.792 4.848 20 0 JJADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cc(Br)ccc2Cl)[C@@H](C)C1 ZINC001459413373 1067317391 /nfs/dbraw/zinc/31/73/91/1067317391.db2.gz FTCRSLRMDNXBGV-HNNXBMFYSA-N 1 2 451.792 4.848 20 0 JJADLO O=C1Nc2ccccc2[C@H]1C1CC[NH+](Cc2cccc(Br)c2OC(F)F)CC1 ZINC001459417410 1067318821 /nfs/dbraw/zinc/31/88/21/1067318821.db2.gz KZPQSEVYHCYABZ-GOSISDBHSA-N 1 2 451.311 4.998 20 0 JJADLO O[C@@H]([C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccc3cc(Br)ccc3c2)o1)C(F)(F)F ZINC001459455884 1067328274 /nfs/dbraw/zinc/32/82/74/1067328274.db2.gz MRFVYZSYRBKYPO-RDJZCZTQSA-N 1 2 456.262 4.540 20 0 JJADLO O[C@@H]([C@@H]1CCC[N@H+]1Cc1nnc(-c2ccc3cc(Br)ccc3c2)o1)C(F)(F)F ZINC001459455884 1067328289 /nfs/dbraw/zinc/32/82/89/1067328289.db2.gz MRFVYZSYRBKYPO-RDJZCZTQSA-N 1 2 456.262 4.540 20 0 JJADLO COc1cc(C[N@H+](C)CC(=O)NCCc2cccc(Cl)c2Cl)c(SC)cc1OC ZINC001459528793 1067345505 /nfs/dbraw/zinc/34/55/05/1067345505.db2.gz OMQPHVZKKWLMJD-UHFFFAOYSA-N 1 2 457.423 4.523 20 0 JJADLO COc1cc(C[N@@H+](C)CC(=O)NCCc2cccc(Cl)c2Cl)c(SC)cc1OC ZINC001459528793 1067345512 /nfs/dbraw/zinc/34/55/12/1067345512.db2.gz OMQPHVZKKWLMJD-UHFFFAOYSA-N 1 2 457.423 4.523 20 0 JJADLO CCOC(=O)C1=C(C[N@@H+]2CC[C@H](C)C[C@@H]2c2ccco2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001459563729 1067352244 /nfs/dbraw/zinc/35/22/44/1067352244.db2.gz NCEHQRXYVHYQGU-VQPPSCEASA-N 1 2 457.958 4.577 20 0 JJADLO CCOC(=O)C1=C(C[N@H+]2CC[C@H](C)C[C@@H]2c2ccco2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001459563729 1067352255 /nfs/dbraw/zinc/35/22/55/1067352255.db2.gz NCEHQRXYVHYQGU-VQPPSCEASA-N 1 2 457.958 4.577 20 0 JJADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC001459617529 1067365660 /nfs/dbraw/zinc/36/56/60/1067365660.db2.gz IRSBDLGTPMNSEZ-GOSISDBHSA-N 1 2 452.274 4.888 20 0 JJADLO Cc1ccccc1C(=O)NC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC001459721244 1067395584 /nfs/dbraw/zinc/39/55/84/1067395584.db2.gz XHHXHGNREIDWGA-UHFFFAOYSA-N 1 2 453.892 4.500 20 0 JJADLO Cc1cc(Br)c(NC(=O)C[N@@H+](C)[C@@H](C)c2cccc(O)c2)c(Br)c1 ZINC001459722500 1067395790 /nfs/dbraw/zinc/39/57/90/1067395790.db2.gz RDMXPLVLYOYIHB-LBPRGKRZSA-N 1 2 456.178 4.857 20 0 JJADLO Cc1cc(Br)c(NC(=O)C[N@H+](C)[C@@H](C)c2cccc(O)c2)c(Br)c1 ZINC001459722500 1067395798 /nfs/dbraw/zinc/39/57/98/1067395798.db2.gz RDMXPLVLYOYIHB-LBPRGKRZSA-N 1 2 456.178 4.857 20 0 JJADLO Cc1cc(Br)c(NC(=O)C[N@@H+](C)[C@H](C)c2cccc(O)c2)c(Br)c1 ZINC001459722495 1067396032 /nfs/dbraw/zinc/39/60/32/1067396032.db2.gz RDMXPLVLYOYIHB-GFCCVEGCSA-N 1 2 456.178 4.857 20 0 JJADLO Cc1cc(Br)c(NC(=O)C[N@H+](C)[C@H](C)c2cccc(O)c2)c(Br)c1 ZINC001459722495 1067396043 /nfs/dbraw/zinc/39/60/43/1067396043.db2.gz RDMXPLVLYOYIHB-GFCCVEGCSA-N 1 2 456.178 4.857 20 0 JJADLO O=C(NC[C@@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2F)C1)Nc1cccc(F)c1 ZINC001459730098 1067398391 /nfs/dbraw/zinc/39/83/91/1067398391.db2.gz KGGWDLKNPXVFND-ZDUSSCGKSA-N 1 2 456.306 4.900 20 0 JJADLO O=C(NC[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2F)C1)Nc1cccc(F)c1 ZINC001459730098 1067398403 /nfs/dbraw/zinc/39/84/03/1067398403.db2.gz KGGWDLKNPXVFND-ZDUSSCGKSA-N 1 2 456.306 4.900 20 0 JJADLO COc1cc(-c2noc(C[N@H+](Cc3ccc(F)cc3F)C3CCCC3)n2)cc(OC)c1OC ZINC001459740421 1067400877 /nfs/dbraw/zinc/40/08/77/1067400877.db2.gz MTKQSKHAPYIQKH-UHFFFAOYSA-N 1 2 459.493 4.985 20 0 JJADLO COc1cc(-c2noc(C[N@@H+](Cc3ccc(F)cc3F)C3CCCC3)n2)cc(OC)c1OC ZINC001459740421 1067400882 /nfs/dbraw/zinc/40/08/82/1067400882.db2.gz MTKQSKHAPYIQKH-UHFFFAOYSA-N 1 2 459.493 4.985 20 0 JJADLO COc1ccc2c(c1)C[N@@H+](CC(=O)NCc1ccc(OC(F)F)cc1)[C@@H](c1ccccc1)C2 ZINC001459759637 1067410805 /nfs/dbraw/zinc/41/08/05/1067410805.db2.gz ICALGQVWWYKREQ-XMMPIXPASA-N 1 2 452.501 4.712 20 0 JJADLO COc1ccc2c(c1)C[N@H+](CC(=O)NCc1ccc(OC(F)F)cc1)[C@@H](c1ccccc1)C2 ZINC001459759637 1067410809 /nfs/dbraw/zinc/41/08/09/1067410809.db2.gz ICALGQVWWYKREQ-XMMPIXPASA-N 1 2 452.501 4.712 20 0 JJADLO Cn1cc(Br)cc1C[N@H+](C)CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001459798881 1067427612 /nfs/dbraw/zinc/42/76/12/1067427612.db2.gz DIVVDYQKMHHBRJ-SFHVURJKSA-N 1 2 459.215 4.890 20 0 JJADLO Cn1cc(Br)cc1C[N@@H+](C)CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001459798881 1067427619 /nfs/dbraw/zinc/42/76/19/1067427619.db2.gz DIVVDYQKMHHBRJ-SFHVURJKSA-N 1 2 459.215 4.890 20 0 JJADLO O=S(=O)(NC1CCCC1)[C@@H]1CCC[N@@H+]([C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)C1 ZINC001459819562 1067437797 /nfs/dbraw/zinc/43/77/97/1067437797.db2.gz OBTRZXMOINBCIW-DHIUTWEWSA-N 1 2 451.007 4.895 20 0 JJADLO O=S(=O)(NC1CCCC1)[C@@H]1CCC[N@H+]([C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)C1 ZINC001459819562 1067437801 /nfs/dbraw/zinc/43/78/01/1067437801.db2.gz OBTRZXMOINBCIW-DHIUTWEWSA-N 1 2 451.007 4.895 20 0 JJADLO Cc1ccc(CNC(=O)c2ccccc2NC(=O)C[N@@H+](C)Cc2ccc(Cl)c(F)c2)cc1 ZINC001459888742 1067474221 /nfs/dbraw/zinc/47/42/21/1067474221.db2.gz KSKXIQSJAXMZHO-UHFFFAOYSA-N 1 2 453.945 4.788 20 0 JJADLO Cc1ccc(CNC(=O)c2ccccc2NC(=O)C[N@H+](C)Cc2ccc(Cl)c(F)c2)cc1 ZINC001459888742 1067474224 /nfs/dbraw/zinc/47/42/24/1067474224.db2.gz KSKXIQSJAXMZHO-UHFFFAOYSA-N 1 2 453.945 4.788 20 0 JJADLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C(=O)NCc1ccco1)c1ncc(-c2ccccc2)o1 ZINC001459900931 1067479656 /nfs/dbraw/zinc/47/96/56/1067479656.db2.gz ZDQZDMMQBMNMEJ-ZWKOTPCHSA-N 1 2 458.518 4.542 20 0 JJADLO C[C@@H]([NH2+][C@@H](C)c1ncc(-c2ccccc2)o1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC001459900917 1067479737 /nfs/dbraw/zinc/47/97/37/1067479737.db2.gz ZDQZDMMQBMNMEJ-MSOLQXFVSA-N 1 2 458.518 4.542 20 0 JJADLO COC[C@H]([NH2+]CC(=O)Nc1cc(-c2cc(C)ccc2C)nn1-c1ccccc1)c1ccc(C)o1 ZINC001459921969 1067492785 /nfs/dbraw/zinc/49/27/85/1067492785.db2.gz COSVVHKSXYLUMB-DEOSSOPVSA-N 1 2 458.562 4.973 20 0 JJADLO COC[C@@H]([NH2+]CC(=O)Nc1cc(-c2cc(C)ccc2C)nn1-c1ccccc1)c1ccc(C)o1 ZINC001459921975 1067492797 /nfs/dbraw/zinc/49/27/97/1067492797.db2.gz COSVVHKSXYLUMB-XMMPIXPASA-N 1 2 458.562 4.973 20 0 JJADLO Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCC[N@@H+]1C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC001459932373 1067496935 /nfs/dbraw/zinc/49/69/35/1067496935.db2.gz OGZSYKBZPKJCHK-XZOQPEGZSA-N 1 2 459.512 4.674 20 0 JJADLO Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCC[N@H+]1C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC001459932373 1067496941 /nfs/dbraw/zinc/49/69/41/1067496941.db2.gz OGZSYKBZPKJCHK-XZOQPEGZSA-N 1 2 459.512 4.674 20 0 JJADLO C[C@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)CC[S@](=O)C1 ZINC001459953679 1067505141 /nfs/dbraw/zinc/50/51/41/1067505141.db2.gz XLRGYCYFFHBVPI-HPGBDJQBSA-N 1 2 458.425 4.502 20 0 JJADLO C[C@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)CC[S@](=O)C1 ZINC001459953679 1067505149 /nfs/dbraw/zinc/50/51/49/1067505149.db2.gz XLRGYCYFFHBVPI-HPGBDJQBSA-N 1 2 458.425 4.502 20 0 JJADLO FC(F)C(F)(F)COCC[N@@H+]1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC001459963789 1067509208 /nfs/dbraw/zinc/50/92/08/1067509208.db2.gz NCJMCGDZCUDCAL-CYBMUJFWSA-N 1 2 452.246 4.553 20 0 JJADLO FC(F)C(F)(F)COCC[N@H+]1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC001459963789 1067509214 /nfs/dbraw/zinc/50/92/14/1067509214.db2.gz NCJMCGDZCUDCAL-CYBMUJFWSA-N 1 2 452.246 4.553 20 0 JJADLO O=C(Cc1ccccc1I)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC001460012976 1067526829 /nfs/dbraw/zinc/52/68/29/1067526829.db2.gz DAPGVBFESGZMHY-UHFFFAOYSA-N 1 2 458.299 4.639 20 0 JJADLO Cc1cccc(C[NH+]2CCN(Cc3cc(Br)ccc3F)CC2)c1Br ZINC001460024716 1067532740 /nfs/dbraw/zinc/53/27/40/1067532740.db2.gz RVOUJUTYEOVPGA-UHFFFAOYSA-N 1 2 456.197 4.977 20 0 JJADLO O=C(C[NH2+]C1(c2c(Cl)cccc2Cl)CCC1)Nc1cc(Cl)ccc1-n1cncn1 ZINC001460048696 1067538795 /nfs/dbraw/zinc/53/87/95/1067538795.db2.gz IBNCCAICFWVLTF-UHFFFAOYSA-N 1 2 450.757 4.835 20 0 JJADLO Cc1cccc(Cn2[nH]ccc2=NC(=O)C[NH2+][C@@H]2CCCCC[C@H]2c2ccc(Cl)cc2)c1 ZINC001460097156 1067553870 /nfs/dbraw/zinc/55/38/70/1067553870.db2.gz GALFCBZLZXVPLG-BJKOFHAPSA-N 1 2 451.014 4.960 20 0 JJADLO Cc1cccc(Cn2[nH]ccc2=NC(=O)C[NH2+][C@H]2CCCCC[C@H]2c2ccc(Cl)cc2)c1 ZINC001460097179 1067554382 /nfs/dbraw/zinc/55/43/82/1067554382.db2.gz GALFCBZLZXVPLG-ZEQRLZLVSA-N 1 2 451.014 4.960 20 0 JJADLO CCOc1ccc([C@H](O)C2CC[NH+](Cc3nc(COc4cc(C)cc(C)c4)no3)CC2)cc1 ZINC001460142205 1067563598 /nfs/dbraw/zinc/56/35/98/1067563598.db2.gz AXHXXYYSTACBTM-SANMLTNESA-N 1 2 451.567 4.610 20 0 JJADLO Cc1ccc(CN(C(=O)CN2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@H]2CC(C)C)C2CC2)o1 ZINC001460174821 1067570688 /nfs/dbraw/zinc/57/06/88/1067570688.db2.gz XTBRWQXTFGSPEV-XMMPIXPASA-N 1 2 458.046 4.965 20 0 JJADLO Cc1ccc(CN(C(=O)CN2CC[N@H+](Cc3ccc(Cl)cc3)C[C@H]2CC(C)C)C2CC2)o1 ZINC001460174821 1067570695 /nfs/dbraw/zinc/57/06/95/1067570695.db2.gz XTBRWQXTFGSPEV-XMMPIXPASA-N 1 2 458.046 4.965 20 0 JJADLO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCN(c2ccc(Cl)c(F)c2)C[C@H]1C ZINC001460193467 1067576000 /nfs/dbraw/zinc/57/60/00/1067576000.db2.gz IWYQKFVAXFMKNL-KGLIPLIRSA-N 1 2 454.771 4.779 20 0 JJADLO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CCN(c2ccc(Cl)c(F)c2)C[C@H]1C ZINC001460193467 1067576008 /nfs/dbraw/zinc/57/60/08/1067576008.db2.gz IWYQKFVAXFMKNL-KGLIPLIRSA-N 1 2 454.771 4.779 20 0 JJADLO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1CCCC[C@H]1COC(=O)NC1CCCCC1 ZINC001460201536 1067578331 /nfs/dbraw/zinc/57/83/31/1067578331.db2.gz ZHHVGPXBTHLIAE-UGKGYDQZSA-N 1 2 455.599 4.866 20 0 JJADLO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1CCCC[C@H]1COC(=O)NC1CCCCC1 ZINC001460201536 1067578338 /nfs/dbraw/zinc/57/83/38/1067578338.db2.gz ZHHVGPXBTHLIAE-UGKGYDQZSA-N 1 2 455.599 4.866 20 0 JJADLO COc1cc2c(cc1NC(=O)C[N@@H+]1C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C1)oc1ccccc12 ZINC001460251719 1067591516 /nfs/dbraw/zinc/59/15/16/1067591516.db2.gz AOYDXFPQDYMQPT-IRXDYDNUSA-N 1 2 452.551 4.833 20 0 JJADLO COc1cc2c(cc1NC(=O)C[N@H+]1C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C1)oc1ccccc12 ZINC001460251719 1067591521 /nfs/dbraw/zinc/59/15/21/1067591521.db2.gz AOYDXFPQDYMQPT-IRXDYDNUSA-N 1 2 452.551 4.833 20 0 JJADLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CC(=O)N3CCC[C@H]3c3ccc(C(C)(C)C)cc3)[C@@H]2C1 ZINC001460279474 1067596536 /nfs/dbraw/zinc/59/65/36/1067596536.db2.gz LDLGZOGZNIWARB-AKIFATBCSA-N 1 2 455.643 4.589 20 0 JJADLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CC(=O)N3CCC[C@H]3c3ccc(C(C)(C)C)cc3)[C@@H]2C1 ZINC001460279474 1067596541 /nfs/dbraw/zinc/59/65/41/1067596541.db2.gz LDLGZOGZNIWARB-AKIFATBCSA-N 1 2 455.643 4.589 20 0 JJADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@@H+]1CCC[C@@]1(C)Cc1ccccc1F ZINC001460290567 1067599922 /nfs/dbraw/zinc/59/99/22/1067599922.db2.gz SFRUHMGMKJQUOA-QFIPXVFZSA-N 1 2 453.341 4.955 20 0 JJADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+]1CCC[C@@]1(C)Cc1ccccc1F ZINC001460290567 1067599930 /nfs/dbraw/zinc/59/99/30/1067599930.db2.gz SFRUHMGMKJQUOA-QFIPXVFZSA-N 1 2 453.341 4.955 20 0 JJADLO O=C(C[C@@H]1CCC[N@H+](Cc2ccc(Br)c(F)c2F)C1)NCc1ccc(F)cc1 ZINC001460300549 1067601917 /nfs/dbraw/zinc/60/19/17/1067601917.db2.gz FZUIQJYZUNWMMX-HNNXBMFYSA-N 1 2 455.318 4.785 20 0 JJADLO O=C(C[C@@H]1CCC[N@@H+](Cc2ccc(Br)c(F)c2F)C1)NCc1ccc(F)cc1 ZINC001460300549 1067601924 /nfs/dbraw/zinc/60/19/24/1067601924.db2.gz FZUIQJYZUNWMMX-HNNXBMFYSA-N 1 2 455.318 4.785 20 0 JJADLO COC(=O)Nc1cc(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)cc(C(F)(F)F)c1 ZINC001460345093 1067613467 /nfs/dbraw/zinc/61/34/67/1067613467.db2.gz TZQMYYWXMHUSKM-UHFFFAOYSA-N 1 2 452.820 4.653 20 0 JJADLO CN(C)C(=O)c1ccc(OC2CC[NH+](Cc3nc(-c4ccccc4Cl)cs3)CC2)nc1 ZINC001460413716 1067630855 /nfs/dbraw/zinc/63/08/55/1067630855.db2.gz ZAMXXHDTYADBAS-UHFFFAOYSA-N 1 2 456.999 4.604 20 0 JJADLO COc1cccc([C@@]2(C)CC[N@H+](Cc3nnnn3-c3ccc(Cl)cc3C(F)(F)F)C2)c1 ZINC001460426376 1067632753 /nfs/dbraw/zinc/63/27/53/1067632753.db2.gz LKBLYDCRNCLUJV-FQEVSTJZSA-N 1 2 451.880 4.507 20 0 JJADLO COc1cccc([C@@]2(C)CC[N@@H+](Cc3nnnn3-c3ccc(Cl)cc3C(F)(F)F)C2)c1 ZINC001460426376 1067632757 /nfs/dbraw/zinc/63/27/57/1067632757.db2.gz LKBLYDCRNCLUJV-FQEVSTJZSA-N 1 2 451.880 4.507 20 0 JJADLO CC(C)C[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)CCCNC(=O)c1ccccc1 ZINC001460437473 1067634806 /nfs/dbraw/zinc/63/48/06/1067634806.db2.gz PSYVPDDMONOOSI-DEOSSOPVSA-N 1 2 456.030 4.609 20 0 JJADLO CC(C)C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)CCCNC(=O)c1ccccc1 ZINC001460437473 1067634811 /nfs/dbraw/zinc/63/48/11/1067634811.db2.gz PSYVPDDMONOOSI-DEOSSOPVSA-N 1 2 456.030 4.609 20 0 JJADLO CC(C)C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1ncccc1Br ZINC001460441050 1067635664 /nfs/dbraw/zinc/63/56/64/1067635664.db2.gz AQVRWZBFUNXXAX-GOSISDBHSA-N 1 2 450.808 4.870 20 0 JJADLO CC(C)C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1ncccc1Br ZINC001460441050 1067635668 /nfs/dbraw/zinc/63/56/68/1067635668.db2.gz AQVRWZBFUNXXAX-GOSISDBHSA-N 1 2 450.808 4.870 20 0 JJADLO COc1ccc2c(c1)CC[N@@H+](CC(=O)N(C)[C@@H](C)c1cccc(NC(=O)c3ccccc3)c1)C2 ZINC001460447488 1067636566 /nfs/dbraw/zinc/63/65/66/1067636566.db2.gz ZQQQECQNZGNYGF-FQEVSTJZSA-N 1 2 457.574 4.525 20 0 JJADLO COc1ccc2c(c1)CC[N@H+](CC(=O)N(C)[C@@H](C)c1cccc(NC(=O)c3ccccc3)c1)C2 ZINC001460447488 1067636575 /nfs/dbraw/zinc/63/65/75/1067636575.db2.gz ZQQQECQNZGNYGF-FQEVSTJZSA-N 1 2 457.574 4.525 20 0 JJADLO CC(C)C[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1ccc(Br)nc1 ZINC001460457590 1067637452 /nfs/dbraw/zinc/63/74/52/1067637452.db2.gz PELGCXOUYOPXPQ-IBGZPJMESA-N 1 2 450.808 4.870 20 0 JJADLO CC(C)C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1ccc(Br)nc1 ZINC001460457590 1067637458 /nfs/dbraw/zinc/63/74/58/1067637458.db2.gz PELGCXOUYOPXPQ-IBGZPJMESA-N 1 2 450.808 4.870 20 0 JJADLO CC(C)C[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1ccnc(NC(=O)C(C)C)c1 ZINC001460465872 1067639119 /nfs/dbraw/zinc/63/91/19/1067639119.db2.gz YROZWKIMUOQNHM-QFIPXVFZSA-N 1 2 457.018 4.702 20 0 JJADLO CC(C)C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1ccnc(NC(=O)C(C)C)c1 ZINC001460465872 1067639124 /nfs/dbraw/zinc/63/91/24/1067639124.db2.gz YROZWKIMUOQNHM-QFIPXVFZSA-N 1 2 457.018 4.702 20 0 JJADLO C[C@@H]([NH2+][C@@H](CO)c1cccc(Cl)c1Cl)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC001460468829 1067639589 /nfs/dbraw/zinc/63/95/89/1067639589.db2.gz FLWDYVASLSQWNO-BZNIZROVSA-N 1 2 454.354 4.906 20 0 JJADLO O=C(C[NH2+][C@@H](CO)c1cccc(Cl)c1Cl)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC001460474711 1067640845 /nfs/dbraw/zinc/64/08/45/1067640845.db2.gz WBZGPKDFQALKKU-GGAORHGYSA-N 1 2 455.385 4.791 20 0 JJADLO COC(=O)c1cnc([C@H]2CCC[N@H+](Cc3nnc(-c4ccc(Cl)cc4Cl)o3)C2)s1 ZINC001460522352 1067648635 /nfs/dbraw/zinc/64/86/35/1067648635.db2.gz BYEBZFRAKUOXDL-NSHDSACASA-N 1 2 453.351 4.666 20 0 JJADLO COC(=O)c1cnc([C@H]2CCC[N@@H+](Cc3nnc(-c4ccc(Cl)cc4Cl)o3)C2)s1 ZINC001460522352 1067648640 /nfs/dbraw/zinc/64/86/40/1067648640.db2.gz BYEBZFRAKUOXDL-NSHDSACASA-N 1 2 453.351 4.666 20 0 JJADLO CCOC(=O)c1nnn(C2CC[NH+](Cc3nc(C4CCCCC4)cs3)CC2)c1C(F)F ZINC001460606989 1067669709 /nfs/dbraw/zinc/66/97/09/1067669709.db2.gz WBYDPNDJPIHIAL-UHFFFAOYSA-N 1 2 453.559 4.734 20 0 JJADLO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC001460612531 1067672455 /nfs/dbraw/zinc/67/24/55/1067672455.db2.gz VTCNGHSECCILIU-ZBFHGGJFSA-N 1 2 457.397 4.931 20 0 JJADLO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC001460612531 1067672467 /nfs/dbraw/zinc/67/24/67/1067672467.db2.gz VTCNGHSECCILIU-ZBFHGGJFSA-N 1 2 457.397 4.931 20 0 JJADLO OC[C@@H]([NH2+]Cc1cc(Cl)ccc1I)c1cccc(C(F)(F)F)c1 ZINC001460625896 1067676731 /nfs/dbraw/zinc/67/67/31/1067676731.db2.gz CTSBVLYDWNMWNZ-OAHLLOKOSA-N 1 2 455.645 4.787 20 0 JJADLO CC(C)(C)OC(=O)Nc1ccc2c(c1)OCC[N@@H+](C[C@@H](O)c1ccccc1C(F)(F)F)C2 ZINC001460674477 1067696071 /nfs/dbraw/zinc/69/60/71/1067696071.db2.gz HBBWWVAHQYHVJD-LJQANCHMSA-N 1 2 452.473 4.980 20 0 JJADLO CC(C)(C)OC(=O)Nc1ccc2c(c1)OCC[N@H+](C[C@@H](O)c1ccccc1C(F)(F)F)C2 ZINC001460674477 1067696075 /nfs/dbraw/zinc/69/60/75/1067696075.db2.gz HBBWWVAHQYHVJD-LJQANCHMSA-N 1 2 452.473 4.980 20 0 JJADLO COc1cc2ccccc2cc1-c1nnc(C[N@@H+]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)o1 ZINC001460676067 1067697044 /nfs/dbraw/zinc/69/70/44/1067697044.db2.gz QISLKCQXLBZFIF-LJQANCHMSA-N 1 2 452.555 4.778 20 0 JJADLO COc1cc2ccccc2cc1-c1nnc(C[N@H+]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)o1 ZINC001460676067 1067697047 /nfs/dbraw/zinc/69/70/47/1067697047.db2.gz QISLKCQXLBZFIF-LJQANCHMSA-N 1 2 452.555 4.778 20 0 JJADLO CC[C@@H](c1ccc(F)cc1)N1CC[NH+](C[C@@](C)(O)c2ccc(Br)cc2F)CC1 ZINC001460731481 1067711744 /nfs/dbraw/zinc/71/17/44/1067711744.db2.gz OQKWYYDTXZWQRU-FCHUYYIVSA-N 1 2 453.371 4.704 20 0 JJADLO CCN(C(=O)C[N@H+]1[C@H](C(=O)OCc2ccccc2)C[C@@H]2CCC[C@@H]21)[C@@H](C)c1ccc(F)cc1 ZINC001460751558 1067716057 /nfs/dbraw/zinc/71/60/57/1067716057.db2.gz RTBMGGACNPMDPO-LHXUXXTBSA-N 1 2 452.570 4.722 20 0 JJADLO CCN(C(=O)C[N@@H+]1[C@H](C(=O)OCc2ccccc2)C[C@@H]2CCC[C@@H]21)[C@@H](C)c1ccc(F)cc1 ZINC001460751558 1067716061 /nfs/dbraw/zinc/71/60/61/1067716061.db2.gz RTBMGGACNPMDPO-LHXUXXTBSA-N 1 2 452.570 4.722 20 0 JJADLO CCN(C(=O)C[N@H+]1[C@H](C(=O)OCc2ccccc2)C[C@@H]2CCC[C@@H]21)[C@H](C)c1ccc(F)cc1 ZINC001460751555 1067716086 /nfs/dbraw/zinc/71/60/86/1067716086.db2.gz RTBMGGACNPMDPO-FISOAXRRSA-N 1 2 452.570 4.722 20 0 JJADLO CCN(C(=O)C[N@@H+]1[C@H](C(=O)OCc2ccccc2)C[C@@H]2CCC[C@@H]21)[C@H](C)c1ccc(F)cc1 ZINC001460751555 1067716094 /nfs/dbraw/zinc/71/60/94/1067716094.db2.gz RTBMGGACNPMDPO-FISOAXRRSA-N 1 2 452.570 4.722 20 0 JJADLO CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCCN2C(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC001460755255 1067717302 /nfs/dbraw/zinc/71/73/02/1067717302.db2.gz ANMWNXICNUFMCK-GOTSBHOMSA-N 1 2 452.599 4.573 20 0 JJADLO O=C1[C@@H]([NH+]2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)CCN1c1ccc(F)c(Cl)c1 ZINC001460760160 1067718431 /nfs/dbraw/zinc/71/84/31/1067718431.db2.gz VWOOXLJAHPIPMM-SFHVURJKSA-N 1 2 457.855 4.542 20 0 JJADLO COc1ccc(F)cc1-c1cncc(C[N@H+]2C[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001460787320 1067723710 /nfs/dbraw/zinc/72/37/10/1067723710.db2.gz POGRLQBUBWPMNY-RTBURBONSA-N 1 2 469.479 4.784 20 0 JJADLO COc1ccc(F)cc1-c1cncc(C[N@@H+]2C[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001460787320 1067723712 /nfs/dbraw/zinc/72/37/12/1067723712.db2.gz POGRLQBUBWPMNY-RTBURBONSA-N 1 2 469.479 4.784 20 0 JJADLO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[N@@H+]2CCc3nc[nH]c3[C@@H]2c2ccc(Br)cc2)C1 ZINC001460813757 1067728549 /nfs/dbraw/zinc/72/85/49/1067728549.db2.gz PSAALMJYPASXAT-KLHJMIIUSA-N 1 2 475.431 4.813 20 0 JJADLO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[N@H+]2CCc3nc[nH]c3[C@@H]2c2ccc(Br)cc2)C1 ZINC001460813757 1067728556 /nfs/dbraw/zinc/72/85/56/1067728556.db2.gz PSAALMJYPASXAT-KLHJMIIUSA-N 1 2 475.431 4.813 20 0 JJADLO CCNc1nc(C[NH+]2CCC3(CC2)CN(C(=O)OC(C)(C)C)Cc2ccccc2O3)cs1 ZINC001460985884 1067757663 /nfs/dbraw/zinc/75/76/63/1067757663.db2.gz MSFMABLQRQQEQE-UHFFFAOYSA-N 1 2 458.628 4.739 20 0 JJADLO O=C(N(CCCn1cc[nH+]c1)c1ccc(Br)cn1)C1(Sc2ccccc2)CC1 ZINC001461086432 1067778818 /nfs/dbraw/zinc/77/88/18/1067778818.db2.gz IUBHSEBOQQMAJZ-UHFFFAOYSA-N 1 2 457.397 4.789 20 0 JJADLO Cn1ncc(I)c1C[NH2+]Cc1ccc(-c2ccc(Cl)cc2)cc1F ZINC001461286719 1067818403 /nfs/dbraw/zinc/81/84/03/1067818403.db2.gz NXIYUFUTDPBAGK-UHFFFAOYSA-N 1 2 455.702 4.774 20 0 JJADLO C[C@](CO)([NH2+]Cc1ccc(F)cc1I)c1cc(Cl)cc(Cl)c1 ZINC001461508944 1067878823 /nfs/dbraw/zinc/87/88/23/1067878823.db2.gz WGXRQCVKMLRMEG-MRXNPFEDSA-N 1 2 454.110 4.734 20 0 JJADLO Fc1cncc(Br)c1C[NH2+]Cc1cc(Cl)cc(I)c1 ZINC001461591103 1067895760 /nfs/dbraw/zinc/89/57/60/1067895760.db2.gz HNUQYOXENQBEKC-UHFFFAOYSA-N 1 2 455.496 4.531 20 0 JJADLO Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1CNC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC001461694063 1067920003 /nfs/dbraw/zinc/92/00/03/1067920003.db2.gz HHCYHLWVYPXTKN-JOCHJYFZSA-N 1 2 459.421 4.787 20 0 JJADLO Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1CNC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC001461694063 1067920008 /nfs/dbraw/zinc/92/00/08/1067920008.db2.gz HHCYHLWVYPXTKN-JOCHJYFZSA-N 1 2 459.421 4.787 20 0 JJADLO COc1ccc(C[N@H+](Cc2c(CNC(=O)OC(C)(C)C)cnn2C)Cc2ccccc2)cc1 ZINC001461893525 1067956261 /nfs/dbraw/zinc/95/62/61/1067956261.db2.gz DXEUGNPSCROFPN-UHFFFAOYSA-N 1 2 450.583 4.656 20 0 JJADLO COc1ccc(C[N@@H+](Cc2c(CNC(=O)OC(C)(C)C)cnn2C)Cc2ccccc2)cc1 ZINC001461893525 1067956264 /nfs/dbraw/zinc/95/62/64/1067956264.db2.gz DXEUGNPSCROFPN-UHFFFAOYSA-N 1 2 450.583 4.656 20 0 JJADLO CC(C)(C)OC(=O)NC1(CC[N@@H+]2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)CCOCC1 ZINC001461913330 1067960036 /nfs/dbraw/zinc/96/00/36/1067960036.db2.gz UKBHGOPBOPFZPK-IBGZPJMESA-N 1 2 459.414 4.831 20 0 JJADLO CC(C)(C)OC(=O)NC1(CC[N@H+]2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)CCOCC1 ZINC001461913330 1067960042 /nfs/dbraw/zinc/96/00/42/1067960042.db2.gz UKBHGOPBOPFZPK-IBGZPJMESA-N 1 2 459.414 4.831 20 0 JJADLO FC(F)C(F)(F)CN1CC[NH+](Cc2cnc(-c3ccc(Br)cc3)s2)CC1 ZINC001461958633 1067969378 /nfs/dbraw/zinc/96/93/78/1067969378.db2.gz CIFJSUAIKUQXEF-UHFFFAOYSA-N 1 2 452.315 4.591 20 0 JJADLO CCOC(=O)[C@@H](Cc1ccccc1)N(Cc1c[nH+]c2c(C)cc(Br)cn12)C1CC1 ZINC001461976440 1067973509 /nfs/dbraw/zinc/97/35/09/1067973509.db2.gz QXAOKVKJQPLXRW-OAQYLSRUSA-N 1 2 456.384 4.544 20 0 JJADLO CC[C@H](C)NC(=O)CN1CC[NH+](Cc2ccccc2Oc2ccc(Cl)c(Cl)c2)CC1 ZINC001462014783 1067980824 /nfs/dbraw/zinc/98/08/24/1067980824.db2.gz LDSJKKPOCMFUDD-KRWDZBQOSA-N 1 2 450.410 4.818 20 0 JJADLO Cn1ncc(NC(=O)OC(C)(C)C)c1C[NH2+]Cc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC001462052953 1067991349 /nfs/dbraw/zinc/99/13/49/1067991349.db2.gz XCPNHWOLZYWQKA-KRWDZBQOSA-N 1 2 453.612 4.786 20 0 JJADLO COc1ccc(N(C(C)=O)c2nc(C[N@H+](Cc3ccccc3)[C@@H](CO)C3CC3)cs2)cc1 ZINC001462055332 1067992554 /nfs/dbraw/zinc/99/25/54/1067992554.db2.gz WLVBGKTUQRHUEF-DEOSSOPVSA-N 1 2 451.592 4.609 20 0 JJADLO COc1ccc(N(C(C)=O)c2nc(C[N@@H+](Cc3ccccc3)[C@@H](CO)C3CC3)cs2)cc1 ZINC001462055332 1067992561 /nfs/dbraw/zinc/99/25/61/1067992561.db2.gz WLVBGKTUQRHUEF-DEOSSOPVSA-N 1 2 451.592 4.609 20 0 JJADLO CC(C)[C@H]1C[N@H+](Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CCN1C(=O)OC(C)(C)C ZINC001462107181 1068004906 /nfs/dbraw/zinc/00/49/06/1068004906.db2.gz OHFYSFVOLRSDPZ-HXUWFJFHSA-N 1 2 452.521 4.968 20 0 JJADLO CC(C)[C@H]1C[N@@H+](Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CCN1C(=O)OC(C)(C)C ZINC001462107181 1068004920 /nfs/dbraw/zinc/00/49/20/1068004920.db2.gz OHFYSFVOLRSDPZ-HXUWFJFHSA-N 1 2 452.521 4.968 20 0 JJADLO COc1cc(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)c(F)cc1Br ZINC001462151031 1068016540 /nfs/dbraw/zinc/01/65/40/1068016540.db2.gz UTUBQLKEILGGPN-OAQYLSRUSA-N 1 2 457.384 4.820 20 0 JJADLO COc1cc(C[N@H+]2CC[C@@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)c(F)cc1Br ZINC001462151031 1068016552 /nfs/dbraw/zinc/01/65/52/1068016552.db2.gz UTUBQLKEILGGPN-OAQYLSRUSA-N 1 2 457.384 4.820 20 0 JJADLO CCn1c2ccc(Br)cc2nc1C[NH2+]Cc1c(C(F)(F)F)nc2n1CCCC2 ZINC001462191018 1068025911 /nfs/dbraw/zinc/02/59/11/1068025911.db2.gz MVVZKLRYZIEUJW-UHFFFAOYSA-N 1 2 456.310 4.660 20 0 JJADLO COc1ccc(Br)cc1-c1ncc(C(=O)N2CC[N@H+](C)Cc3ccccc32)s1 ZINC001462208628 1068029322 /nfs/dbraw/zinc/02/93/22/1068029322.db2.gz KEHUCEOHBQJYDN-UHFFFAOYSA-N 1 2 458.381 4.673 20 0 JJADLO COc1ccc(Br)cc1-c1ncc(C(=O)N2CC[N@@H+](C)Cc3ccccc32)s1 ZINC001462208628 1068029336 /nfs/dbraw/zinc/02/93/36/1068029336.db2.gz KEHUCEOHBQJYDN-UHFFFAOYSA-N 1 2 458.381 4.673 20 0 JJADLO CC(C)(C)OC(=O)Nc1ccc(-c2cccc(C[NH2+]Cc3nc(-c4ccccn4)n[nH]3)n2)cc1 ZINC001462237246 1068035487 /nfs/dbraw/zinc/03/54/87/1068035487.db2.gz KNEORYMOLTXYPE-UHFFFAOYSA-N 1 2 457.538 4.566 20 0 JJADLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)c3cccnc3SCC3CCCCC3)C2)cc1 ZINC001462248216 1068037505 /nfs/dbraw/zinc/03/75/05/1068037505.db2.gz ZOHLNPPLKVMCCZ-HSZRJFAPSA-N 1 2 453.652 4.693 20 0 JJADLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)c3cccnc3SCC3CCCCC3)C2)cc1 ZINC001462248216 1068037520 /nfs/dbraw/zinc/03/75/20/1068037520.db2.gz ZOHLNPPLKVMCCZ-HSZRJFAPSA-N 1 2 453.652 4.693 20 0 JJADLO Cc1cc(Br)cn2c(CN3[C@H](C)CN(C(=O)OC(C)(C)C)[C@H](C)[C@H]3C)c[nH+]c12 ZINC001462370661 1068061379 /nfs/dbraw/zinc/06/13/79/1068061379.db2.gz ACCDXIOTKXNMNJ-BZUAXINKSA-N 1 2 451.409 4.623 20 0 JJADLO O=C(NCc1ccccc1)[C@@H]1CC[N@@H+](Cc2c(F)ccc(C(F)(F)F)c2Br)C1 ZINC001462374839 1068062478 /nfs/dbraw/zinc/06/24/78/1068062478.db2.gz KGRQMLFEGWEIMF-CQSZACIVSA-N 1 2 459.281 4.745 20 0 JJADLO O=C(NCc1ccccc1)[C@@H]1CC[N@H+](Cc2c(F)ccc(C(F)(F)F)c2Br)C1 ZINC001462374839 1068062492 /nfs/dbraw/zinc/06/24/92/1068062492.db2.gz KGRQMLFEGWEIMF-CQSZACIVSA-N 1 2 459.281 4.745 20 0 JJADLO CC(C)(C)OC(=O)N(CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1)C(C)(C)C ZINC001462449193 1068077146 /nfs/dbraw/zinc/07/71/46/1068077146.db2.gz QXWMGBCLNOQPFC-RTBURBONSA-N 1 2 471.564 4.559 20 0 JJADLO CC(C)(C)OC(=O)N(CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1)C(C)(C)C ZINC001462449193 1068077160 /nfs/dbraw/zinc/07/71/60/1068077160.db2.gz QXWMGBCLNOQPFC-RTBURBONSA-N 1 2 471.564 4.559 20 0 JJADLO CC(C)(C)OC(=O)N1CC2(CCC2)[C@H]1C1CC[NH+](Cc2ccc(Br)nc2)CC1 ZINC001462526415 1068091893 /nfs/dbraw/zinc/09/18/93/1068091893.db2.gz IEGKVADNHUSCCT-LJQANCHMSA-N 1 2 450.421 4.846 20 0 JJADLO Brc1cncc(Br)c1C[N@@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC001462584639 1068104411 /nfs/dbraw/zinc/10/44/11/1068104411.db2.gz HARUZYHAECKKOY-NSHDSACASA-N 1 2 457.235 4.931 20 0 JJADLO Brc1cncc(Br)c1C[N@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC001462584639 1068104416 /nfs/dbraw/zinc/10/44/16/1068104416.db2.gz HARUZYHAECKKOY-NSHDSACASA-N 1 2 457.235 4.931 20 0 JJADLO O=C(Nc1ccc(C(=O)NCCN(Cc2ccccc2)c2cccc[nH+]2)cc1)c1cccs1 ZINC001462637820 1068120757 /nfs/dbraw/zinc/12/07/57/1068120757.db2.gz NLDAKACZWOUOBM-UHFFFAOYSA-N 1 2 456.571 4.832 20 0 JJADLO COc1cnc(F)c(C[NH+]2CCC3(CC2)C[C@H](NC(=O)OC(C)(C)C)c2ccccc2O3)c1 ZINC001462692757 1068133531 /nfs/dbraw/zinc/13/35/31/1068133531.db2.gz YVSWBSLVTBNTRE-FQEVSTJZSA-N 1 2 457.546 4.612 20 0 JJADLO O=S(=O)(Oc1ccc(-n2cc[nH+]c2)cc1)c1csnc1-c1cccc(C(F)(F)F)c1 ZINC001462697144 1068134677 /nfs/dbraw/zinc/13/46/77/1068134677.db2.gz WRTWQWJJZGCEEN-UHFFFAOYSA-N 1 2 451.451 4.782 20 0 JJADLO C[NH+](C)Cc1csc(CNC(=O)CCc2c3cc(F)ccc3[nH]c2-c2ccc(F)cc2)n1 ZINC001462819462 1068175727 /nfs/dbraw/zinc/17/57/27/1068175727.db2.gz SRTCGLXUHYECGX-UHFFFAOYSA-N 1 2 454.546 4.880 20 0 JJADLO COc1ccc(C(C)(C)C)cc1S(=O)(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC001462827865 1068180167 /nfs/dbraw/zinc/18/01/67/1068180167.db2.gz WZUDHBGIBJHRJJ-FQEVSTJZSA-N 1 2 451.032 4.762 20 0 JJADLO CCc1cccc(CC)c1S(=O)(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC001462840502 1068186288 /nfs/dbraw/zinc/18/62/88/1068186288.db2.gz JKJVRWSEXYEDBK-HSZRJFAPSA-N 1 2 454.661 4.951 20 0 JJADLO CCc1cccc(CC)c1S(=O)(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC001462840502 1068186292 /nfs/dbraw/zinc/18/62/92/1068186292.db2.gz JKJVRWSEXYEDBK-HSZRJFAPSA-N 1 2 454.661 4.951 20 0 JJADLO COc1ccc(CN(c2cc[nH+]cc2)S(=O)(=O)c2cc(Cl)ccc2OCC2CC2)cc1 ZINC001463345237 1068365103 /nfs/dbraw/zinc/36/51/03/1068365103.db2.gz AUJCBQDLGFMNAK-UHFFFAOYSA-N 1 2 458.967 4.928 20 0 JJADLO Cn1c[nH+]cc1C1CCN(C(=O)[C@H](Oc2ccc(Br)cc2)c2ccccc2)CC1 ZINC001463439984 1068398087 /nfs/dbraw/zinc/39/80/87/1068398087.db2.gz WUIROHIAOGDQCX-JOCHJYFZSA-N 1 2 454.368 4.709 20 0 JJADLO CC(C)[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC001463561586 1068443459 /nfs/dbraw/zinc/44/34/59/1068443459.db2.gz QIYSDEWSKNIMGA-GOSISDBHSA-N 1 2 456.395 4.606 20 0 JJADLO CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC001463561586 1068443468 /nfs/dbraw/zinc/44/34/68/1068443468.db2.gz QIYSDEWSKNIMGA-GOSISDBHSA-N 1 2 456.395 4.606 20 0 JJADLO C[N@H+](CCC(F)(F)F)[C@H](CNS(=O)(=O)Cc1cccc(F)c1)c1ccc(Cl)cc1 ZINC001463699026 1068498552 /nfs/dbraw/zinc/49/85/52/1068498552.db2.gz PCDIZUOBMPRSRX-GOSISDBHSA-N 1 2 452.901 4.524 20 0 JJADLO C[N@@H+](CCC(F)(F)F)[C@H](CNS(=O)(=O)Cc1cccc(F)c1)c1ccc(Cl)cc1 ZINC001463699026 1068498558 /nfs/dbraw/zinc/49/85/58/1068498558.db2.gz PCDIZUOBMPRSRX-GOSISDBHSA-N 1 2 452.901 4.524 20 0 JJADLO C[N@H+](CCC(F)(F)F)[C@H](CNS(=O)(=O)c1cc(F)ccc1F)c1ccc(Cl)cc1 ZINC001463700960 1068499161 /nfs/dbraw/zinc/49/91/61/1068499161.db2.gz SDLCWGSGGLBQKS-MRXNPFEDSA-N 1 2 456.864 4.522 20 0 JJADLO C[N@@H+](CCC(F)(F)F)[C@H](CNS(=O)(=O)c1cc(F)ccc1F)c1ccc(Cl)cc1 ZINC001463700960 1068499168 /nfs/dbraw/zinc/49/91/68/1068499168.db2.gz SDLCWGSGGLBQKS-MRXNPFEDSA-N 1 2 456.864 4.522 20 0 JJADLO C[C@H](c1ccccc1F)[C@H](O)C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC001463802699 1068530668 /nfs/dbraw/zinc/53/06/68/1068530668.db2.gz ZJFRRRADYNMMKH-OSPHWJPCSA-N 1 2 456.558 4.502 20 0 JJADLO CCOc1ccc(C[NH+]2CCN(C(=O)[C@@H](C)Cc3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC001463836150 1068541868 /nfs/dbraw/zinc/54/18/68/1068541868.db2.gz UUTNOZVJTUVEJF-SFHVURJKSA-N 1 2 450.501 4.507 20 0 JJADLO C[C@@H](NS(=O)(=O)c1cccc2c1CC[N@H+](C)C2)c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC001464030259 1068593552 /nfs/dbraw/zinc/59/35/52/1068593552.db2.gz OJXMEVNBEANQLO-WOJBJXKFSA-N 1 2 450.604 4.854 20 0 JJADLO C[C@@H](NS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2)c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC001464030259 1068593565 /nfs/dbraw/zinc/59/35/65/1068593565.db2.gz OJXMEVNBEANQLO-WOJBJXKFSA-N 1 2 450.604 4.854 20 0 JJADLO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C2 ZINC001464127165 1068625493 /nfs/dbraw/zinc/62/54/93/1068625493.db2.gz BYPFQPJVRLZWBU-LPWQTFTOSA-N 1 2 465.997 4.520 20 0 JJADLO Cc1c(N)c(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)ccc1Br ZINC001464130332 1068626594 /nfs/dbraw/zinc/62/65/94/1068626594.db2.gz KLFPZTWYRFVQTJ-QGZVFWFLSA-N 1 2 454.771 4.699 20 0 JJADLO CN(C(=O)OC(C)(C)C)C1(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CCC1 ZINC001464129317 1068626599 /nfs/dbraw/zinc/62/65/99/1068626599.db2.gz IKNPSLLPDDDXMU-SFHVURJKSA-N 1 2 453.986 4.522 20 0 JJADLO CSc1ccc([C@H](CNC(=O)Cc2ccc(C=O)cc2)[N@@H+]2CCc3sccc3C2)cc1 ZINC001464200315 1068654220 /nfs/dbraw/zinc/65/42/20/1068654220.db2.gz KARFAOHAPSRYAV-QHCPKHFHSA-N 1 2 450.629 4.741 20 0 JJADLO CSc1ccc([C@H](CNC(=O)Cc2ccc(C=O)cc2)[N@H+]2CCc3sccc3C2)cc1 ZINC001464200315 1068654225 /nfs/dbraw/zinc/65/42/25/1068654225.db2.gz KARFAOHAPSRYAV-QHCPKHFHSA-N 1 2 450.629 4.741 20 0 JJADLO CSc1ccc([C@@H](CNC(=O)Cc2ccc(C=O)cc2)[N@@H+]2CCc3sccc3C2)cc1 ZINC001464200313 1068654320 /nfs/dbraw/zinc/65/43/20/1068654320.db2.gz KARFAOHAPSRYAV-HSZRJFAPSA-N 1 2 450.629 4.741 20 0 JJADLO CSc1ccc([C@@H](CNC(=O)Cc2ccc(C=O)cc2)[N@H+]2CCc3sccc3C2)cc1 ZINC001464200313 1068654326 /nfs/dbraw/zinc/65/43/26/1068654326.db2.gz KARFAOHAPSRYAV-HSZRJFAPSA-N 1 2 450.629 4.741 20 0 JJADLO Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC001464373632 1068722321 /nfs/dbraw/zinc/72/23/21/1068722321.db2.gz BLPGQZMOPKEBRY-MRXNPFEDSA-N 1 2 453.564 4.920 20 0 JJADLO Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC001464373632 1068722336 /nfs/dbraw/zinc/72/23/36/1068722336.db2.gz BLPGQZMOPKEBRY-MRXNPFEDSA-N 1 2 453.564 4.920 20 0 JJADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3CCOc4ccc(Br)cc43)n2)C1 ZINC001464378264 1068724763 /nfs/dbraw/zinc/72/47/63/1068724763.db2.gz IOCPQDCDQDSITN-CZUORRHYSA-N 1 2 450.402 4.642 20 0 JJADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3CCOc4ccc(Br)cc43)n2)C1 ZINC001464378264 1068724775 /nfs/dbraw/zinc/72/47/75/1068724775.db2.gz IOCPQDCDQDSITN-CZUORRHYSA-N 1 2 450.402 4.642 20 0 JJADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc(NC(=O)OCC(F)(F)F)cc3)n2)C1 ZINC001464380204 1068725326 /nfs/dbraw/zinc/72/53/26/1068725326.db2.gz LEZHLVRIELVSPC-CYBMUJFWSA-N 1 2 456.490 4.738 20 0 JJADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc(NC(=O)OCC(F)(F)F)cc3)n2)C1 ZINC001464380204 1068725334 /nfs/dbraw/zinc/72/53/34/1068725334.db2.gz LEZHLVRIELVSPC-CYBMUJFWSA-N 1 2 456.490 4.738 20 0 JJADLO CCCN(C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1)[C@H](C)c1cc2ccccc2o1 ZINC001464454068 1068751805 /nfs/dbraw/zinc/75/18/05/1068751805.db2.gz VXSKTHOBCILFOB-GCJKJVERSA-N 1 2 450.583 4.763 20 0 JJADLO CCCN(C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1)[C@H](C)c1cc2ccccc2o1 ZINC001464454068 1068751814 /nfs/dbraw/zinc/75/18/14/1068751814.db2.gz VXSKTHOBCILFOB-GCJKJVERSA-N 1 2 450.583 4.763 20 0 JJADLO O=C(Nc1ccsc1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(Br)cc1 ZINC001464567730 1068784702 /nfs/dbraw/zinc/78/47/02/1068784702.db2.gz ZZKJTMGQDDNVBS-UHFFFAOYSA-N 1 2 459.369 4.506 20 0 JJADLO C[C@@H]1c2ccc(C(=O)Nc3ccc(-n4cc[nH+]c4)c(Cl)c3)n2CCN1C(=O)OC(C)(C)C ZINC001464577594 1068789323 /nfs/dbraw/zinc/78/93/23/1068789323.db2.gz ZXPUDWFPLFAUOC-OAHLLOKOSA-N 1 2 455.946 4.891 20 0 JJADLO COC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC001464715330 1068835998 /nfs/dbraw/zinc/83/59/98/1068835998.db2.gz ODNQXJRPESMMOI-YZUZCNPQSA-N 1 2 454.998 4.553 20 0 JJADLO Cc1cc(C(F)(F)N2CCO[C@H](c3[nH+]cn4c3cccc4Br)C2)cc(Cl)n1 ZINC001164416303 718889626 /nfs/dbraw/zinc/88/96/26/718889626.db2.gz CYJNEYJCIIYANN-AWEZNQCLSA-N 1 2 457.706 4.576 20 0 JJADLO FC(F)(c1ccc(Cl)c(Cl)n1)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164418551 718890045 /nfs/dbraw/zinc/89/00/45/718890045.db2.gz OXZBHTZXNUKAIZ-GFCCVEGCSA-N 1 2 478.124 4.921 20 0 JJADLO FC(F)(c1ccc2ncnc(Cl)c2c1)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164419149 718890145 /nfs/dbraw/zinc/89/01/45/718890145.db2.gz QAYVTYYVSMTBMV-MRXNPFEDSA-N 1 2 494.727 4.816 20 0 JJADLO FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164417010 718890353 /nfs/dbraw/zinc/89/03/53/718890353.db2.gz GXFWEULLVBHVMT-ZDUSSCGKSA-N 1 2 482.716 4.749 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3ccc(OC)cc31)CC2 ZINC001164663700 719345528 /nfs/dbraw/zinc/34/55/28/719345528.db2.gz ZZFFFQFWBMVPJW-UHFFFAOYSA-N 1 2 489.023 4.987 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3ccc(OC)cc31)CC2 ZINC001164663700 719345531 /nfs/dbraw/zinc/34/55/31/719345531.db2.gz ZZFFFQFWBMVPJW-UHFFFAOYSA-N 1 2 489.023 4.987 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc3cccc(OC)c3n1)CC2 ZINC001164664569 719347592 /nfs/dbraw/zinc/34/75/92/719347592.db2.gz YXNQOABPDZENII-UHFFFAOYSA-N 1 2 453.590 4.938 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc3cccc(OC)c3n1)CC2 ZINC001164664569 719347596 /nfs/dbraw/zinc/34/75/96/719347596.db2.gz YXNQOABPDZENII-UHFFFAOYSA-N 1 2 453.590 4.938 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc(-c3ccccc3)n1)CC2 ZINC001164664461 719348133 /nfs/dbraw/zinc/34/81/33/719348133.db2.gz UPYQPRQEISTISP-UHFFFAOYSA-N 1 2 486.023 4.887 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc(-c3ccccc3)n1)CC2 ZINC001164664461 719348137 /nfs/dbraw/zinc/34/81/37/719348137.db2.gz UPYQPRQEISTISP-UHFFFAOYSA-N 1 2 486.023 4.887 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C(C)(C)C)nc3[nH]ccc31)CC2 ZINC001164658181 719353119 /nfs/dbraw/zinc/35/31/19/719353119.db2.gz FCCPLMGTRFNVTQ-UHFFFAOYSA-N 1 2 469.637 4.950 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C(C)(C)C)nc3[nH]ccc31)CC2 ZINC001164658181 719353124 /nfs/dbraw/zinc/35/31/24/719353124.db2.gz FCCPLMGTRFNVTQ-UHFFFAOYSA-N 1 2 469.637 4.950 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(C(=O)N3CCC[C@H](C)C3)cn1)CC2 ZINC001164658599 719353736 /nfs/dbraw/zinc/35/37/36/719353736.db2.gz KGUNLTXRKMFAFZ-QHCPKHFHSA-N 1 2 498.675 4.648 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(C(=O)N3CCC[C@H](C)C3)cn1)CC2 ZINC001164658599 719353739 /nfs/dbraw/zinc/35/37/39/719353739.db2.gz KGUNLTXRKMFAFZ-QHCPKHFHSA-N 1 2 498.675 4.648 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(-c3ccc(OC)cc3)ncn1)CC2 ZINC001164657975 719353881 /nfs/dbraw/zinc/35/38/81/719353881.db2.gz ATFHJCJSMCJSAR-UHFFFAOYSA-N 1 2 480.616 4.847 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(-c3ccc(OC)cc3)ncn1)CC2 ZINC001164657975 719353882 /nfs/dbraw/zinc/35/38/82/719353882.db2.gz ATFHJCJSMCJSAR-UHFFFAOYSA-N 1 2 480.616 4.847 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(-c3ccncc3)nc(C)n1)CC2 ZINC001164660632 719354775 /nfs/dbraw/zinc/35/47/75/719354775.db2.gz WFITXWCZTZBOCU-UHFFFAOYSA-N 1 2 465.605 4.542 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(-c3ccncc3)nc(C)n1)CC2 ZINC001164660632 719354778 /nfs/dbraw/zinc/35/47/78/719354778.db2.gz WFITXWCZTZBOCU-UHFFFAOYSA-N 1 2 465.605 4.542 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccnc1Oc1ccccc1)CC2 ZINC001164659555 719355499 /nfs/dbraw/zinc/35/54/99/719355499.db2.gz QTKXMRJHQHCZGU-UHFFFAOYSA-N 1 2 466.589 4.964 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccnc1Oc1ccccc1)CC2 ZINC001164659555 719355504 /nfs/dbraw/zinc/35/55/04/719355504.db2.gz QTKXMRJHQHCZGU-UHFFFAOYSA-N 1 2 466.589 4.964 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(COC3CCC3)cn1)CC2 ZINC001164658127 719355602 /nfs/dbraw/zinc/35/56/02/719355602.db2.gz DPZNLOMNGMUYMX-UHFFFAOYSA-N 1 2 457.622 4.845 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(COC3CCC3)cn1)CC2 ZINC001164658127 719355605 /nfs/dbraw/zinc/35/56/05/719355605.db2.gz DPZNLOMNGMUYMX-UHFFFAOYSA-N 1 2 457.622 4.845 20 0 JJADLO COc1ccc(Oc2cc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)nc(C)n2)cc1 ZINC001164678267 719531334 /nfs/dbraw/zinc/53/13/34/719531334.db2.gz JYHYYVBFWKLEKD-UHFFFAOYSA-N 1 2 478.568 4.596 20 0 JJADLO COc1ccc(Oc2cc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)nc(C)n2)cc1 ZINC001164678267 719531344 /nfs/dbraw/zinc/53/13/44/719531344.db2.gz JYHYYVBFWKLEKD-UHFFFAOYSA-N 1 2 478.568 4.596 20 0 JJADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN(C(F)(F)c3cc(Cl)cnc3Cl)CC2)cc1 ZINC001164698222 719829827 /nfs/dbraw/zinc/82/98/27/719829827.db2.gz STALLFMXPHJFRU-UHFFFAOYSA-N 1 2 492.357 4.838 20 0 JJADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN(C(F)(F)c3cnc(Cl)cc3Cl)CC2)cc1 ZINC001164698787 719830111 /nfs/dbraw/zinc/83/01/11/719830111.db2.gz UOQLTUXCBQLTCK-UHFFFAOYSA-N 1 2 492.357 4.838 20 0 JJADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc(Cl)c(Cl)nc1Cl ZINC001164721020 720316400 /nfs/dbraw/zinc/31/64/00/720316400.db2.gz CTFIIZCMWSJPCX-AWEZNQCLSA-N 1 2 466.747 4.604 20 0 JJADLO Cc1cccc(-c2cc(C(F)(F)N3CCCn4nnc(Cn5cc[nH+]c5)c4C3)cnc2Cl)c1 ZINC001164828840 720398990 /nfs/dbraw/zinc/39/89/90/720398990.db2.gz LMXFVEYKENHLHG-UHFFFAOYSA-N 1 2 469.927 4.502 20 0 JJADLO FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164758530 720978333 /nfs/dbraw/zinc/97/83/33/720978333.db2.gz VXQCLQYRROACPG-CQSZACIVSA-N 1 2 468.335 4.741 20 0 JJADLO FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164757038 720981285 /nfs/dbraw/zinc/98/12/85/720981285.db2.gz MDPSOXCTRDUPPR-QGZVFWFLSA-N 1 2 459.928 4.601 20 0 JJADLO FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164756473 720982672 /nfs/dbraw/zinc/98/26/72/720982672.db2.gz IYPTYLGNJXCCFL-KRWDZBQOSA-N 1 2 459.928 4.601 20 0 JJADLO Fc1ccccc1-c1cc(C(F)(F)N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)c(Cl)nn1 ZINC001164756353 720984651 /nfs/dbraw/zinc/98/46/51/720984651.db2.gz GYVRAZJBIJYDAH-INIZCTEOSA-N 1 2 477.918 4.741 20 0 JJADLO Fc1ccccc1-c1cc(C(F)(F)N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)c(Cl)nn1 ZINC001164756354 720984906 /nfs/dbraw/zinc/98/49/06/720984906.db2.gz GYVRAZJBIJYDAH-MRXNPFEDSA-N 1 2 477.918 4.741 20 0 JJADLO COc1cccc(-c2cc(C(F)(F)N3Cc4c[nH+]cn4C[C@@H](COCC4CC4)C3)c(Cl)nn2)c1 ZINC001164755598 720985217 /nfs/dbraw/zinc/98/52/17/720985217.db2.gz AZTFPJROZJNOBU-QGZVFWFLSA-N 1 2 489.954 4.610 20 0 JJADLO O=C(c1cccnc1N1CCC[C@@]2(C[C@@H](c3ccccc3)CO2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164774192 721059815 /nfs/dbraw/zinc/05/98/15/721059815.db2.gz VIROEAHYJNKLBY-DLFZDVPBSA-N 1 2 496.655 4.583 20 0 JJADLO FC(F)(c1cc2ccccc2nc1Cl)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164767180 721274272 /nfs/dbraw/zinc/27/42/72/721274272.db2.gz HMQBPWMTIMPLGE-INIZCTEOSA-N 1 2 455.896 4.740 20 0 JJADLO Cc1ccc(-c2cc(C(F)(F)N3Cc4c[nH+]cn4C[C@H](COc4cccnc4)C3)c(Cl)nn2)cc1 ZINC001164767074 721276465 /nfs/dbraw/zinc/27/64/65/721276465.db2.gz FJYZBQKVQKFNNV-SFHVURJKSA-N 1 2 496.949 4.957 20 0 JJADLO FC(F)(c1ccc2c(ccnc2Cl)c1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164769074 721277214 /nfs/dbraw/zinc/27/72/14/721277214.db2.gz OCYLZJLPVYWHQS-INIZCTEOSA-N 1 2 455.896 4.740 20 0 JJADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(C34CC5CC(CC(C5)C3)C4)nc3ccccc31)C2 ZINC001165009251 721712887 /nfs/dbraw/zinc/71/28/87/721712887.db2.gz RRDLBNMYLRGJTJ-UHFFFAOYSA-N 1 2 485.680 4.940 20 0 JJADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(C34CC5CC(CC(C5)C3)C4)nc3ccccc31)C2 ZINC001165009251 721712895 /nfs/dbraw/zinc/71/28/95/721712895.db2.gz RRDLBNMYLRGJTJ-UHFFFAOYSA-N 1 2 485.680 4.940 20 0 JJADLO c1cncc(C[N@@H+]2CCOC[C@]3(CN(c4ccc(-c5ccc(C6CCCCC6)cc5)nn4)CCO3)C2)c1 ZINC001164914643 721798266 /nfs/dbraw/zinc/79/82/66/721798266.db2.gz OSQWJKZINSMPQQ-SSEXGKCCSA-N 1 2 499.659 4.694 20 0 JJADLO c1cncc(C[N@H+]2CCOC[C@]3(CN(c4ccc(-c5ccc(C6CCCCC6)cc5)nn4)CCO3)C2)c1 ZINC001164914643 721798269 /nfs/dbraw/zinc/79/82/69/721798269.db2.gz OSQWJKZINSMPQQ-SSEXGKCCSA-N 1 2 499.659 4.694 20 0 JJADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ncnc3scc(-c4ccc(Cl)cc4)c32)CC1 ZINC001164918750 721818794 /nfs/dbraw/zinc/81/87/94/721818794.db2.gz TYCQVKXPNZTCTB-UHFFFAOYSA-N 1 2 465.026 4.958 20 0 JJADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(-c3cccnc3)nc3sc4c(c32)CCCC4)CC1 ZINC001164917598 721818945 /nfs/dbraw/zinc/81/89/45/721818945.db2.gz GMKYNCPGKIVVGK-UHFFFAOYSA-N 1 2 485.661 4.578 20 0 JJADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@H](c4ccncc4)C3)c2c1C ZINC001165040388 721928778 /nfs/dbraw/zinc/92/87/78/721928778.db2.gz BVJSFGLYWONJQU-LJQANCHMSA-N 1 2 465.623 4.551 20 0 JJADLO FC(F)(c1nc2cc(Cl)c(Cl)cc2nc1Cl)N1CC[NH+](CCc2ccccn2)CC1 ZINC001165056328 722014365 /nfs/dbraw/zinc/01/43/65/722014365.db2.gz STCFLFRYNGBEQJ-UHFFFAOYSA-N 1 2 472.754 4.895 20 0 JJADLO CC(C)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC001359717094 1064265685 /nfs/dbraw/zinc/26/56/85/1064265685.db2.gz IDIUSTAATHNXIS-HXUWFJFHSA-N 1 2 462.495 4.744 20 0 JJADLO CC(C)c1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1C[C@@H]1CCCO[C@@H]1C(C)C ZINC001359719055 1064266225 /nfs/dbraw/zinc/26/62/25/1064266225.db2.gz AJSISLRNPCGFGS-JTHBVZDNSA-N 1 2 460.066 4.828 20 0 JJADLO CC(C)c1nnc(N2CC[NH+](CCOc3ccccc3Cl)CC2)n1CC(C)(C)c1ccccn1 ZINC001359721506 1064268504 /nfs/dbraw/zinc/26/85/04/1064268504.db2.gz XIUHADAZJBXQQD-UHFFFAOYSA-N 1 2 483.060 4.629 20 0 JJADLO CC(C)c1nnc(N2CC[NH+](CCOc3ccccc3Cl)CC2)n1CCc1ccsc1 ZINC001359721378 1064268624 /nfs/dbraw/zinc/26/86/24/1064268624.db2.gz UFLZQARYSYTQFG-UHFFFAOYSA-N 1 2 460.047 4.560 20 0 JJADLO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)C(C)(C)C2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001545865545 1064273838 /nfs/dbraw/zinc/27/38/38/1064273838.db2.gz FGSFOOMUPXCQDU-HXUWFJFHSA-N 1 2 481.689 4.503 20 0 JJADLO O=C(Nc1cnn(-c2ccccc2Br)c1)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001545869381 1064281446 /nfs/dbraw/zinc/28/14/46/1064281446.db2.gz MNSGLXLEJXLSBA-OAQYLSRUSA-N 1 2 457.347 4.767 20 0 JJADLO O=C(Nc1cnn(-c2ccccc2Br)c1)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001545869381 1064281460 /nfs/dbraw/zinc/28/14/60/1064281460.db2.gz MNSGLXLEJXLSBA-OAQYLSRUSA-N 1 2 457.347 4.767 20 0 JJADLO CC(C)[C@@H]1CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001359737695 1064299815 /nfs/dbraw/zinc/29/98/15/1064299815.db2.gz DIDCVAWIJVGDRF-URXFXBBRSA-N 1 2 469.674 4.500 20 0 JJADLO CC(C)(C)OC(=O)NCC[N@H+](CC(=O)N1CC(C)(C)[C@H]1c1ccccc1)Cc1ccccc1 ZINC001434874770 1064309044 /nfs/dbraw/zinc/30/90/44/1064309044.db2.gz DGCFNLOLMZFBEN-XMMPIXPASA-N 1 2 451.611 4.623 20 0 JJADLO CC(C)(C)OC(=O)NCC[N@@H+](CC(=O)N1CC(C)(C)[C@H]1c1ccccc1)Cc1ccccc1 ZINC001434874770 1064309065 /nfs/dbraw/zinc/30/90/65/1064309065.db2.gz DGCFNLOLMZFBEN-XMMPIXPASA-N 1 2 451.611 4.623 20 0 JJADLO CC(C)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001359742862 1064312660 /nfs/dbraw/zinc/31/26/60/1064312660.db2.gz WGWADISRHPAWIZ-VXKWHMMOSA-N 1 2 461.601 4.973 20 0 JJADLO CC(C)CC(=O)Nc1cccc(Cn2c(CC(C)(C)C)nnc2N2CCN(c3cccc[nH+]3)CC2)c1 ZINC001359764664 1064384365 /nfs/dbraw/zinc/38/43/65/1064384365.db2.gz GSSAZMPHGXHCSS-UHFFFAOYSA-N 1 2 489.668 4.621 20 0 JJADLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1cc2ccccc2n1CC(F)(F)F ZINC001435012328 1064427846 /nfs/dbraw/zinc/42/78/46/1064427846.db2.gz KJYYZHSGIJGTLG-IBGZPJMESA-N 1 2 459.512 4.567 20 0 JJADLO Cc1cc(Br)ccc1CC(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC001359789000 1064444781 /nfs/dbraw/zinc/44/47/81/1064444781.db2.gz ALAYKAKUPYBMCQ-UHFFFAOYSA-N 1 2 452.356 4.575 20 0 JJADLO CC(C)Cc1nnc(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001359866393 1064557615 /nfs/dbraw/zinc/55/76/15/1064557615.db2.gz QLBSNPWKRXYIGY-NRFANRHFSA-N 1 2 489.451 4.871 20 0 JJADLO CC(C)Cc1nnc(Nc2cnn(CC3CCC3)c2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001359876576 1064566431 /nfs/dbraw/zinc/56/64/31/1064566431.db2.gz AHWOXSZITYJEKM-OAQYLSRUSA-N 1 2 457.573 4.798 20 0 JJADLO CC(C)C[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001359885152 1064579814 /nfs/dbraw/zinc/57/98/14/1064579814.db2.gz WHGSODOQFOTGLS-HXUWFJFHSA-N 1 2 453.034 4.904 20 0 JJADLO COC(=O)Nc1cc(C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)ccc1F ZINC001359896619 1064599031 /nfs/dbraw/zinc/59/90/31/1064599031.db2.gz IIDKWZDXHPUCGM-UHFFFAOYSA-N 1 2 458.493 4.846 20 0 JJADLO CC(C)CC[C@@](C)(O)Cn1c(N2CC[NH+](CCOc3ccccc3Cl)CC2)nnc1C(C)(C)C ZINC001359899389 1064606308 /nfs/dbraw/zinc/60/63/08/1064606308.db2.gz NUECGHHKWINBTG-AREMUKBSSA-N 1 2 492.108 4.617 20 0 JJADLO CCN(C(=O)c1ccc(C2CCOCC2)cc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001435240358 1064619736 /nfs/dbraw/zinc/61/97/36/1064619736.db2.gz QLYNKEJZKNLEHY-UHFFFAOYSA-N 1 2 450.627 4.934 20 0 JJADLO CC(C)CCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001359908383 1064625326 /nfs/dbraw/zinc/62/53/26/1064625326.db2.gz YXLCHOVJDYASCN-JOCHJYFZSA-N 1 2 497.688 4.550 20 0 JJADLO CN(C)c1ccc([NH+]2CCC(NC(=O)c3cc4c(cncc4Br)s3)CC2)cc1 ZINC001435290257 1064666679 /nfs/dbraw/zinc/66/66/79/1064666679.db2.gz RNUQAHSEFSOABM-UHFFFAOYSA-N 1 2 459.413 4.524 20 0 JJADLO CC(C)CCOc1ccc(-c2nnc(N3CC[C@@H]([NH+]4CCN(C(C)C)CC4)C3)n2CC(C)C)cc1 ZINC001359951868 1064711637 /nfs/dbraw/zinc/71/16/37/1064711637.db2.gz IFXGLXOYZCSVTE-RUZDIDTESA-N 1 2 482.717 4.631 20 0 JJADLO CC(C)CN(c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1)C(C)C ZINC001359991245 1064773128 /nfs/dbraw/zinc/77/31/28/1064773128.db2.gz WTLXEFUDZGYWIE-NRFANRHFSA-N 1 2 480.632 4.547 20 0 JJADLO CC(C)CN(c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1)C(C)C ZINC001359991249 1064773392 /nfs/dbraw/zinc/77/33/92/1064773392.db2.gz WTLXEFUDZGYWIE-OAQYLSRUSA-N 1 2 480.632 4.547 20 0 JJADLO COc1ccc(-c2nc(C)c(C(=O)Nc3cccc([C@H](C)[NH+]4CCOCC4)c3)s2)c(F)c1 ZINC001359997312 1064782937 /nfs/dbraw/zinc/78/29/37/1064782937.db2.gz VLKWVWAQCKMBRL-INIZCTEOSA-N 1 2 455.555 4.912 20 0 JJADLO O=C(Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC001359999431 1064786020 /nfs/dbraw/zinc/78/60/20/1064786020.db2.gz RIKDKNCKDDZGFM-QFIPXVFZSA-N 1 2 458.027 4.695 20 0 JJADLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(OCc2ccccc2)cn1 ZINC001435627276 1064888860 /nfs/dbraw/zinc/88/88/60/1064888860.db2.gz XPKPLPHZDVLUGW-KDYSTLNUSA-N 1 2 458.606 4.737 20 0 JJADLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(OCc2ccccc2)cn1 ZINC001435627276 1064888879 /nfs/dbraw/zinc/88/88/79/1064888879.db2.gz XPKPLPHZDVLUGW-KDYSTLNUSA-N 1 2 458.606 4.737 20 0 JJADLO O=C(NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)c1scnc1Br ZINC001360072084 1064917517 /nfs/dbraw/zinc/91/75/17/1064917517.db2.gz QZUHKKXGLXATCE-UHFFFAOYSA-N 1 2 453.365 4.747 20 0 JJADLO CC(C)CSCCn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001360085634 1064948044 /nfs/dbraw/zinc/94/80/44/1064948044.db2.gz FYCMANCXXQCNBM-OAQYLSRUSA-N 1 2 478.106 4.537 20 0 JJADLO Cc1cc(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)nn1-c1cccc(C(F)(F)F)c1 ZINC001360179341 1065068051 /nfs/dbraw/zinc/06/80/51/1065068051.db2.gz FUXLTBPFVWJTKK-KRWDZBQOSA-N 1 2 458.484 4.845 20 0 JJADLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H](c2c(F)cccc2Cl)N2CCCCC2)CC1 ZINC001435994414 1065098202 /nfs/dbraw/zinc/09/82/02/1065098202.db2.gz ZAUSHCGOEQTQOK-VGOFRKELSA-N 1 2 450.023 4.973 20 0 JJADLO C[C@@H]1CCC[C@@H](CNC(=O)c2cccnc2N2CC[NH+](Cc3cccc(Cl)c3)CC2)[C@@H]1C ZINC001436085092 1065170095 /nfs/dbraw/zinc/17/00/95/1065170095.db2.gz DQBMNMYHGPOAJH-SJBKTWHCSA-N 1 2 455.046 4.859 20 0 JJADLO O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)Nc2ccc(-c3ccc(Cl)s3)cn2)c1 ZINC001436093211 1065175600 /nfs/dbraw/zinc/17/56/00/1065175600.db2.gz VAGKJRPEASUKIJ-UHFFFAOYSA-N 1 2 451.939 4.941 20 0 JJADLO CC(C)OC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001360361905 1065216646 /nfs/dbraw/zinc/21/66/46/1065216646.db2.gz DQTXWDODOQFENJ-IBGZPJMESA-N 1 2 499.059 4.975 20 0 JJADLO CC(C)OC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001360361906 1065216770 /nfs/dbraw/zinc/21/67/70/1065216770.db2.gz DQTXWDODOQFENJ-LJQANCHMSA-N 1 2 499.059 4.975 20 0 JJADLO C[N@H+](CCC(F)(F)F)[C@@H](CNC(=O)c1cnc2ccccc2c1O)c1ccc(Cl)cc1 ZINC001436228868 1065267269 /nfs/dbraw/zinc/26/72/69/1065267269.db2.gz GWSFKFYZZUWJMV-IBGZPJMESA-N 1 2 451.876 4.537 20 0 JJADLO C[N@@H+](CCC(F)(F)F)[C@@H](CNC(=O)c1cnc2ccccc2c1O)c1ccc(Cl)cc1 ZINC001436228868 1065267283 /nfs/dbraw/zinc/26/72/83/1065267283.db2.gz GWSFKFYZZUWJMV-IBGZPJMESA-N 1 2 451.876 4.537 20 0 JJADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1c(F)cccc1C(=O)OCc1ccccc1 ZINC001436271922 1065282966 /nfs/dbraw/zinc/28/29/66/1065282966.db2.gz JKEUWRKSHUJJMR-UHFFFAOYSA-N 1 2 453.420 4.758 20 0 JJADLO C[C@@H](c1ccc(F)cc1F)N1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001360437644 1065319080 /nfs/dbraw/zinc/31/90/80/1065319080.db2.gz NDULOGMSUDNKHU-IBGZPJMESA-N 1 2 497.638 4.537 20 0 JJADLO C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(CC(C)(C)C)n1CCCNc1cccc[nH+]1 ZINC001360442534 1065328252 /nfs/dbraw/zinc/32/82/52/1065328252.db2.gz OXUXNQNWNGMGKT-ASPBEGMCSA-N 1 2 468.671 4.699 20 0 JJADLO Cc1ccc(-n2cc(C(=O)N3CC[N@@H+](Cc4ccc(Cl)cc4)C[C@H]3CC(C)C)nn2)cc1 ZINC001436508945 1065338154 /nfs/dbraw/zinc/33/81/54/1065338154.db2.gz DSGNWKPRTDIVPD-HSZRJFAPSA-N 1 2 452.002 4.602 20 0 JJADLO Cc1ccc(-n2cc(C(=O)N3CC[N@H+](Cc4ccc(Cl)cc4)C[C@H]3CC(C)C)nn2)cc1 ZINC001436508945 1065338173 /nfs/dbraw/zinc/33/81/73/1065338173.db2.gz DSGNWKPRTDIVPD-HSZRJFAPSA-N 1 2 452.002 4.602 20 0 JJADLO O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)NCc1ccccc1Cn1cc[nH+]c1 ZINC001436600914 1065393465 /nfs/dbraw/zinc/39/34/65/1065393465.db2.gz SLVZFRDHTJJGLW-UHFFFAOYSA-N 1 2 456.493 4.933 20 0 JJADLO Cc1scc(C(=O)Nc2ccccc2OCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1C ZINC001436607510 1065396594 /nfs/dbraw/zinc/39/65/94/1065396594.db2.gz AQDOIHPPAOESTM-UHFFFAOYSA-N 1 2 459.612 4.549 20 0 JJADLO CCCOc1c(Br)cc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1OC ZINC000022238194 1065409744 /nfs/dbraw/zinc/40/97/44/1065409744.db2.gz KYENECLVXNRQSR-UHFFFAOYSA-N 1 2 468.417 4.941 20 0 JJADLO C[C@H](CN(C)c1nnc(CC(C)(C)C)n1Cc1cccc(Cn2cc[nH+]c2)c1)c1nccs1 ZINC001360526573 1065505545 /nfs/dbraw/zinc/50/55/45/1065505545.db2.gz OTAJDYLCIWFXPH-LJQANCHMSA-N 1 2 463.655 4.856 20 0 JJADLO C[C@@H](CN(C)c1nnc(CC(C)(C)C)n1Cc1ccc(N2CCCC2)[nH+]c1)c1nccs1 ZINC001360527069 1065506639 /nfs/dbraw/zinc/50/66/39/1065506639.db2.gz ZFQSYLPHLPULKF-SFHVURJKSA-N 1 2 453.660 4.607 20 0 JJADLO CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001437176772 1065516668 /nfs/dbraw/zinc/51/66/68/1065516668.db2.gz AWVZNPKSUQXXRY-KFWWJZLASA-N 1 2 454.398 4.999 20 0 JJADLO CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001437176772 1065516679 /nfs/dbraw/zinc/51/66/79/1065516679.db2.gz AWVZNPKSUQXXRY-KFWWJZLASA-N 1 2 454.398 4.999 20 0 JJADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCC[C@@H](C)[C@H]1CCCNC(=O)OC(C)(C)C ZINC001437790551 1065606845 /nfs/dbraw/zinc/60/68/45/1065606845.db2.gz GKCMYBSWUXZIAD-FOIQADDNSA-N 1 2 464.557 4.555 20 0 JJADLO C[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)c1cc(F)c(Br)cc1F ZINC001437813353 1065613222 /nfs/dbraw/zinc/61/32/22/1065613222.db2.gz SYCZNVFDFZDYCT-BFUOFWGJSA-N 1 2 455.368 4.695 20 0 JJADLO C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(C(C)(C)C)n2CCc2cn3ccccc3[nH+]2)CC1 ZINC001360638276 1065702133 /nfs/dbraw/zinc/70/21/33/1065702133.db2.gz BDVZUEKBKPEHMJ-LJQANCHMSA-N 1 2 495.672 4.596 20 0 JJADLO Cc1ccc2[nH+]c(CSCC(=O)N3CCC[C@@H](c4nc(C(F)(F)F)cs4)C3)cn2c1 ZINC001545917475 1065739122 /nfs/dbraw/zinc/73/91/22/1065739122.db2.gz JUVSGGFFTIODAR-CQSZACIVSA-N 1 2 454.543 4.757 20 0 JJADLO Cc1ccc(C(=O)N[C@H](CC(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)c2ccccc2)cc1 ZINC001438864460 1065759539 /nfs/dbraw/zinc/75/95/39/1065759539.db2.gz XHXXJMUCFUTXQI-CLJLJLNGSA-N 1 2 452.558 4.610 20 0 JJADLO CCc1ccccc1Oc1ccc(CN(C)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)c(Cl)c1 ZINC001438950777 1065771348 /nfs/dbraw/zinc/77/13/48/1065771348.db2.gz UEXGNHSPNSAQDP-RDGATRHJSA-N 1 2 473.013 4.533 20 0 JJADLO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC=C(C(F)(F)F)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001360742168 1065777213 /nfs/dbraw/zinc/77/72/13/1065777213.db2.gz VTKOIFDFZRYSRE-MRXNPFEDSA-N 1 2 490.505 4.765 20 0 JJADLO CCOC(=O)Nc1ccc(C(=O)NCCN(Cc2ccccc2)c2cccc[nH+]2)c(Cl)c1 ZINC001439110919 1065787951 /nfs/dbraw/zinc/78/79/51/1065787951.db2.gz MVVZCDJYLDPFAB-UHFFFAOYSA-N 1 2 452.942 4.740 20 0 JJADLO C[C@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)C[C@@H]1CC=CCC1)[NH+]1CCOCC1 ZINC001360754502 1065805684 /nfs/dbraw/zinc/80/56/84/1065805684.db2.gz VVPWKTWQCXNZMX-QHAWAJNXSA-N 1 2 474.049 4.585 20 0 JJADLO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC(C)(C)OC[C@@H]2C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001360755651 1065809581 /nfs/dbraw/zinc/80/95/81/1065809581.db2.gz HHCLFYKXDYJICN-ROUUACIJSA-N 1 2 485.032 4.585 20 0 JJADLO C[C@H](Oc1ccccc1F)c1nnc(N(C)[C@@H](C)c2cccs2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001360762298 1065837621 /nfs/dbraw/zinc/83/76/21/1065837621.db2.gz CURLOMIVIBCJTF-FHWLQOOXSA-N 1 2 473.618 4.537 20 0 JJADLO C[C@H](Oc1ccccc1F)c1nnc(N(C)[C@@H](C)c2cccs2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001360762298 1065837641 /nfs/dbraw/zinc/83/76/41/1065837641.db2.gz CURLOMIVIBCJTF-FHWLQOOXSA-N 1 2 473.618 4.537 20 0 JJADLO C[C@H](Oc1ccccc1F)c1nnc(N(C)CCC(F)F)n1CCc1cn2ccccc2[nH+]1 ZINC001360767494 1065856860 /nfs/dbraw/zinc/85/68/60/1065856860.db2.gz PVHIUPSJBPTMCL-INIZCTEOSA-N 1 2 458.488 4.539 20 0 JJADLO CC(C)[C@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001360768934 1065858915 /nfs/dbraw/zinc/85/89/15/1065858915.db2.gz AAEFYOCZIPEMBC-QUCCMNQESA-N 1 2 452.578 4.549 20 0 JJADLO COc1cc(Br)c(Cl)cc1C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC001360799842 1065910734 /nfs/dbraw/zinc/91/07/34/1065910734.db2.gz OIHRRJFQUOMWKW-UHFFFAOYSA-N 1 2 453.764 4.504 20 0 JJADLO CCc1c(Br)cc(C(=O)N2CCC(c3c[nH+]cn3C)CC2)cc1Br ZINC001440169454 1065919435 /nfs/dbraw/zinc/91/94/35/1065919435.db2.gz KOOKCBLJWNSVKU-UHFFFAOYSA-N 1 2 455.194 4.527 20 0 JJADLO Cc1ccc(Sc2ccc(NC(=O)[C@H](Cc3c[nH]c[nH+]3)NC(=O)CC(C)C)cc2)c(C)c1 ZINC001440437627 1065940663 /nfs/dbraw/zinc/94/06/63/1065940663.db2.gz XEXRLSLBTIYUGN-QFIPXVFZSA-N 1 2 450.608 4.890 20 0 JJADLO Cc1ccc(Sc2ccc(NC(=O)[C@H](Cc3c[nH+]c[nH]3)NC(=O)CC(C)C)cc2)c(C)c1 ZINC001440437627 1065940666 /nfs/dbraw/zinc/94/06/66/1065940666.db2.gz XEXRLSLBTIYUGN-QFIPXVFZSA-N 1 2 450.608 4.890 20 0 JJADLO Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC001440613944 1065954339 /nfs/dbraw/zinc/95/43/39/1065954339.db2.gz DZRNIIRRIYNFMR-UHFFFAOYSA-N 1 2 453.926 4.578 20 0 JJADLO Cc1c2cc(Br)ccc2sc1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC001440643842 1065957391 /nfs/dbraw/zinc/95/73/91/1065957391.db2.gz AFJMRYZFUYTKCP-UHFFFAOYSA-N 1 2 459.409 4.734 20 0 JJADLO C[C@@]1(Br)C[C@@H]1C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC001440648602 1065958443 /nfs/dbraw/zinc/95/84/43/1065958443.db2.gz CTOCCIHYXFILBO-OXQOHEQNSA-N 1 2 453.833 4.886 20 0 JJADLO CCCc1ccc(-c2nc(NC(=O)[C@@H](Cc3c[nH]c[nH+]3)NC(=O)CC(C)C)sc2C)cc1 ZINC001440657792 1065959592 /nfs/dbraw/zinc/95/95/92/1065959592.db2.gz AZAAGCLWOWYCGJ-HXUWFJFHSA-N 1 2 453.612 4.506 20 0 JJADLO CCCc1ccc(-c2nc(NC(=O)[C@@H](Cc3c[nH+]c[nH]3)NC(=O)CC(C)C)sc2C)cc1 ZINC001440657792 1065959604 /nfs/dbraw/zinc/95/96/04/1065959604.db2.gz AZAAGCLWOWYCGJ-HXUWFJFHSA-N 1 2 453.612 4.506 20 0 JJADLO C[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)NC[C@H](c3c(F)cccc3Cl)[NH+]3CCCC3)c2N1 ZINC001441313196 1066025414 /nfs/dbraw/zinc/02/54/14/1066025414.db2.gz CTAHLTDQHUBFMX-CSMYWGQOSA-N 1 2 473.902 4.550 20 0 JJADLO O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1c(C(F)(F)F)nc2n1CCCC2 ZINC001441315768 1066026226 /nfs/dbraw/zinc/02/62/26/1066026226.db2.gz FESSXJZKMJNGRF-OAHLLOKOSA-N 1 2 458.887 4.598 20 0 JJADLO Cc1cccc(O[C@@H](C)c2nnc(N3CCOC(C)(C)[C@@H]3C)n2CCCNc2cccc[nH+]2)c1C ZINC001360879171 1066029380 /nfs/dbraw/zinc/02/93/80/1066029380.db2.gz HNARWKAEFAVOIP-VXKWHMMOSA-N 1 2 478.641 4.936 20 0 JJADLO Cc1cccc(O[C@@H](C)c2nnc(N3CCOC(C)(C)[C@H]3C)n2CCCNc2cccc[nH+]2)c1C ZINC001360879169 1066029566 /nfs/dbraw/zinc/02/95/66/1066029566.db2.gz HNARWKAEFAVOIP-FCHUYYIVSA-N 1 2 478.641 4.936 20 0 JJADLO Cc1cccc(O[C@@H](C)c2nnc(N3CCC(C)=C(C)C3)n2CC[N@@H+]2CCOCC2(C)C)c1C ZINC001360882950 1066036531 /nfs/dbraw/zinc/03/65/31/1066036531.db2.gz FJXXUYHXSJFGNK-QHCPKHFHSA-N 1 2 467.658 4.692 20 0 JJADLO Cc1cccc(O[C@@H](C)c2nnc(N3CCC(C)=C(C)C3)n2CC[N@H+]2CCOCC2(C)C)c1C ZINC001360882950 1066036546 /nfs/dbraw/zinc/03/65/46/1066036546.db2.gz FJXXUYHXSJFGNK-QHCPKHFHSA-N 1 2 467.658 4.692 20 0 JJADLO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC(C)=C(C)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001360883478 1066037593 /nfs/dbraw/zinc/03/75/93/1066037593.db2.gz SZCKSWKCVQDORO-FCHUYYIVSA-N 1 2 488.076 4.956 20 0 JJADLO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC(C)=C(C)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001360883478 1066037606 /nfs/dbraw/zinc/03/76/06/1066037606.db2.gz SZCKSWKCVQDORO-FCHUYYIVSA-N 1 2 488.076 4.956 20 0 JJADLO CSc1ccc([C@H](CNC(=O)Cc2cc(F)ccc2O)[N@@H+]2CCc3sccc3C2)cc1 ZINC001441462686 1066042963 /nfs/dbraw/zinc/04/29/63/1066042963.db2.gz CXQZLCFPRCZLHJ-NRFANRHFSA-N 1 2 456.608 4.773 20 0 JJADLO CSc1ccc([C@H](CNC(=O)Cc2cc(F)ccc2O)[N@H+]2CCc3sccc3C2)cc1 ZINC001441462686 1066042975 /nfs/dbraw/zinc/04/29/75/1066042975.db2.gz CXQZLCFPRCZLHJ-NRFANRHFSA-N 1 2 456.608 4.773 20 0 JJADLO CCN(C(=O)[C@H](C)[C@@H]1OCCc2sccc21)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001360906601 1066060808 /nfs/dbraw/zinc/06/08/08/1066060808.db2.gz HOGWEUATOBRYLL-JPYJTQIMSA-N 1 2 456.656 4.737 20 0 JJADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H]3CCCCN3C(=O)OCc3ccccc3)n2)C1 ZINC001442024485 1066086117 /nfs/dbraw/zinc/08/61/17/1066086117.db2.gz XCAXIGNUETYNBE-GHTZIAJQSA-N 1 2 456.612 4.505 20 0 JJADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H]3CCCCN3C(=O)OCc3ccccc3)n2)C1 ZINC001442024485 1066086130 /nfs/dbraw/zinc/08/61/30/1066086130.db2.gz XCAXIGNUETYNBE-GHTZIAJQSA-N 1 2 456.612 4.505 20 0 JJADLO Cc1occc1CN(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001360934632 1066092958 /nfs/dbraw/zinc/09/29/58/1066092958.db2.gz GLVXIQNUJWDKGO-UHFFFAOYSA-N 1 2 454.937 4.785 20 0 JJADLO Cc1ncsc1CN(C)c1nnc([C@@H]2CCCCO2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001360940533 1066097460 /nfs/dbraw/zinc/09/74/60/1066097460.db2.gz NFNMXJZQDCLINI-OALUTQOASA-N 1 2 476.597 4.502 20 0 JJADLO COc1cccc([C@H](NC(=O)OC(C)(C)C)C(=O)Nc2cccc(-c3[nH]c(C)c(C)[nH+]3)c2)c1 ZINC001442230254 1066105063 /nfs/dbraw/zinc/10/50/63/1066105063.db2.gz DRPNETFYUCMXCS-NRFANRHFSA-N 1 2 450.539 4.907 20 0 JJADLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc(COc3ccc(Cl)cc3Cl)on2)c1C ZINC001442475342 1066130376 /nfs/dbraw/zinc/13/03/76/1066130376.db2.gz QGFNHHUFEJTJRH-UHFFFAOYSA-N 1 2 450.322 4.853 20 0 JJADLO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@H](C)[C@H](C)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001360989799 1066163823 /nfs/dbraw/zinc/16/38/23/1066163823.db2.gz KXVQADAJKNKMSU-KVJIRVJXSA-N 1 2 490.092 4.891 20 0 JJADLO Cc1cc(C)cc(OCc2nnc(N(Cc3cccs3)C(C)C)n2CC[N@@H+]2CCOC[C@@H]2C)c1 ZINC001361023605 1066219976 /nfs/dbraw/zinc/21/99/76/1066219976.db2.gz BPYHWOWWWUROTC-QFIPXVFZSA-N 1 2 483.682 4.671 20 0 JJADLO Cc1cc(C)cc(OCc2nnc(N(Cc3cccs3)C(C)C)n2CC[N@H+]2CCOC[C@@H]2C)c1 ZINC001361023605 1066219988 /nfs/dbraw/zinc/21/99/88/1066219988.db2.gz BPYHWOWWWUROTC-QFIPXVFZSA-N 1 2 483.682 4.671 20 0 JJADLO COc1ccc(-c2nc(C)c(C(=O)N3CC[NH2+][C@@H](c4ccc(Cl)cc4)C3)s2)cc1OC ZINC001454259586 1066259040 /nfs/dbraw/zinc/25/90/40/1066259040.db2.gz YDPLAJYBZUXESM-GOSISDBHSA-N 1 2 457.983 4.576 20 0 JJADLO CC[C@]1(C)CC[C@@H](Cn2c(N3CC[NH+](Cc4cccc(Cl)c4)CC3)nnc2C(C)(C)C)O1 ZINC001546059232 1066262939 /nfs/dbraw/zinc/26/29/39/1066262939.db2.gz GVZPKAQUJAWYDX-SQJMNOBHSA-N 1 2 460.066 4.899 20 0 JJADLO O=C(NCCn1c[nH+]cc1-c1ccccc1)c1cc(COc2ccc(Cl)cc2Cl)on1 ZINC001454319965 1066269401 /nfs/dbraw/zinc/26/94/01/1066269401.db2.gz IEPXLXQUJBCZIC-UHFFFAOYSA-N 1 2 457.317 4.854 20 0 JJADLO COc1cccc([C@@H]2CN(C(=O)C(C)(C)c3csc(-c4c(F)cccc4F)n3)CC[NH2+]2)c1 ZINC001454472730 1066288611 /nfs/dbraw/zinc/28/86/11/1066288611.db2.gz LEHXSRXOJQPYOF-IBGZPJMESA-N 1 2 457.546 4.548 20 0 JJADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC[C@@H](C)Sc1ccc(Br)cc1 ZINC001443534381 1066325537 /nfs/dbraw/zinc/32/55/37/1066325537.db2.gz ZAOQKTXVNPEZHB-LLVKDONJSA-N 1 2 454.340 4.682 20 0 JJADLO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@@H]2C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001361088956 1066333564 /nfs/dbraw/zinc/33/35/64/1066333564.db2.gz NSRPQPPVBPAJHH-IBGZPJMESA-N 1 2 469.033 4.750 20 0 JJADLO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@H]2C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001361088957 1066333664 /nfs/dbraw/zinc/33/36/64/1066333664.db2.gz NSRPQPPVBPAJHH-LJQANCHMSA-N 1 2 469.033 4.750 20 0 JJADLO Cc1ccccc1C1=NO[C@@H](C(=O)N(CCCn2cc[nH+]c2)Cc2c(F)cccc2Cl)C1 ZINC001443637864 1066341968 /nfs/dbraw/zinc/34/19/68/1066341968.db2.gz ZQAQOUOAOBPUMV-HSZRJFAPSA-N 1 2 454.933 4.596 20 0 JJADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC001443672389 1066347672 /nfs/dbraw/zinc/34/76/72/1066347672.db2.gz HCLBMXKMIWPDML-TZIWHRDSSA-N 1 2 453.505 4.591 20 0 JJADLO Cc1cc(N2CCN(c3nnc(C(C)(C)C)n3CC3(CC(C)C)CC3)CC2)nc(C(C)C)[nH+]1 ZINC001361102968 1066352586 /nfs/dbraw/zinc/35/25/86/1066352586.db2.gz MGORDTVNHIJEGA-UHFFFAOYSA-N 1 2 453.679 4.950 20 0 JJADLO Cc1cc(N2CCN(c3nnc(-c4ccc(Cl)cc4)n3CC(C)C)CC2)nc(C(C)C)[nH+]1 ZINC001361105379 1066354411 /nfs/dbraw/zinc/35/44/11/1066354411.db2.gz IBGDPYZYKQMVCT-UHFFFAOYSA-N 1 2 454.022 4.803 20 0 JJADLO Cc1cnc([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)s1 ZINC001361105615 1066355038 /nfs/dbraw/zinc/35/50/38/1066355038.db2.gz QBJSUFZJUJTAMO-GOSISDBHSA-N 1 2 496.729 4.984 20 0 JJADLO COC(=O)c1ccccc1-c1ccccc1C(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC001443732110 1066359876 /nfs/dbraw/zinc/35/98/76/1066359876.db2.gz LMBDQZTWAGHOMT-HXUWFJFHSA-N 1 2 458.558 4.668 20 0 JJADLO CC(C)(C)OC(=O)NC[C@]1(C(C)(C)C)CCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC001455103608 1066361717 /nfs/dbraw/zinc/36/17/17/1066361717.db2.gz VKKZPFCYJLPRNL-FQRUVTKNSA-N 1 2 454.615 4.721 20 0 JJADLO Cc1c(Br)c2ccccc2n1CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001443764263 1066363888 /nfs/dbraw/zinc/36/38/88/1066363888.db2.gz UWPSNIMRUCKVFN-JXMROGBWSA-N 1 2 452.396 4.570 20 0 JJADLO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@H](CC(C)C)C3)n2CC[N@@H+]2CCOC[C@H]2C)c1 ZINC001361126047 1066382022 /nfs/dbraw/zinc/38/20/22/1066382022.db2.gz JPRWYCLEGYNHGG-DNQXCXABSA-N 1 2 483.701 4.882 20 0 JJADLO Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@H](CC(C)C)C3)n2CC[N@H+]2CCOC[C@H]2C)c1 ZINC001361126047 1066382033 /nfs/dbraw/zinc/38/20/33/1066382033.db2.gz JPRWYCLEGYNHGG-DNQXCXABSA-N 1 2 483.701 4.882 20 0 JJADLO O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC001443893105 1066381909 /nfs/dbraw/zinc/38/19/09/1066381909.db2.gz QPDSRBSZLSSPON-QUCCMNQESA-N 1 2 459.776 4.990 20 0 JJADLO O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC001443893105 1066381928 /nfs/dbraw/zinc/38/19/28/1066381928.db2.gz QPDSRBSZLSSPON-QUCCMNQESA-N 1 2 459.776 4.990 20 0 JJADLO Cc1ccc(C(C)C)c(OCc2nnc(N3CCCC[C@@H](C)C3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)c1 ZINC001361127159 1066387412 /nfs/dbraw/zinc/38/74/12/1066387412.db2.gz GHQIRHLXRANWGK-XMMPIXPASA-N 1 2 496.744 4.941 20 0 JJADLO Cc1ccc(C(C)C)c(OCc2nnc(N3CCCC[C@@H](C)C3)n2CC[N@H+]2CCN(C)C(C)(C)C2)c1 ZINC001361127159 1066387428 /nfs/dbraw/zinc/38/74/28/1066387428.db2.gz GHQIRHLXRANWGK-XMMPIXPASA-N 1 2 496.744 4.941 20 0 JJADLO CC(C)(C)OC(=O)N1CCC2(CCCC[C@H]2NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC001455492081 1066396941 /nfs/dbraw/zinc/39/69/41/1066396941.db2.gz DYBUEHYQFOWWEX-JOCHJYFZSA-N 1 2 452.599 4.621 20 0 JJADLO CC1=C(C)C[C@](C)(C(=O)NCc2ccc(C[NH+]3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1 ZINC001455644012 1066418271 /nfs/dbraw/zinc/41/82/71/1066418271.db2.gz FCKRZMMVFWAMIV-HHHXNRCGSA-N 1 2 455.643 4.882 20 0 JJADLO C/C(=C/C(=O)NCc1ccc(C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1)c1cccs1 ZINC001455646846 1066419035 /nfs/dbraw/zinc/41/90/35/1066419035.db2.gz QPGCCMLZPWYZJJ-MNDPQUGUSA-N 1 2 455.624 4.521 20 0 JJADLO COc1ccc(-c2nc(C)c([C@H](C)NC(=O)[C@@H]3CCCC[N@@H+]3Cc3cccnc3)s2)cc1 ZINC001444212538 1066429943 /nfs/dbraw/zinc/42/99/43/1066429943.db2.gz FVRHZGHZCUHQLR-JTSKRJEESA-N 1 2 450.608 4.754 20 0 JJADLO COc1ccc(-c2nc(C)c([C@H](C)NC(=O)[C@@H]3CCCC[N@H+]3Cc3cccnc3)s2)cc1 ZINC001444212538 1066429947 /nfs/dbraw/zinc/42/99/47/1066429947.db2.gz FVRHZGHZCUHQLR-JTSKRJEESA-N 1 2 450.608 4.754 20 0 JJADLO CCc1ccc(C[NH+]2CCN(C(=O)c3oc(COc4ccc(C=O)cc4)cc3C)CC2)s1 ZINC001444350950 1066453093 /nfs/dbraw/zinc/45/30/93/1066453093.db2.gz PJJNBNDBQPHDPY-UHFFFAOYSA-N 1 2 452.576 4.561 20 0 JJADLO CN(Cc1ccccc1Oc1ccc(Br)cc1F)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001455930806 1066453217 /nfs/dbraw/zinc/45/32/17/1066453217.db2.gz WHRPWFKGANDLQD-INIZCTEOSA-N 1 2 458.331 4.798 20 0 JJADLO Cc1ccc(NC(=O)C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)cc1OCC1CCCCC1 ZINC001444469002 1066463174 /nfs/dbraw/zinc/46/31/74/1066463174.db2.gz GHJVBHVLZUPQLA-UHFFFAOYSA-N 1 2 459.631 4.882 20 0 JJADLO CC[C@]1(C)CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCNc2cccc[nH+]2)C1 ZINC001546079710 1066514662 /nfs/dbraw/zinc/51/46/62/1066514662.db2.gz RZUUUKJNKDSQMI-BVFVYWQFSA-N 1 2 483.661 4.572 20 0 JJADLO C[C@@H]1CCN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)CC[N@@H+]1Cc1ccccc1 ZINC001444893541 1066516511 /nfs/dbraw/zinc/51/65/11/1066516511.db2.gz SSVFLUZUNGQJGK-QGZVFWFLSA-N 1 2 453.384 4.576 20 0 JJADLO C[C@@H]1CCN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)CC[N@H+]1Cc1ccccc1 ZINC001444893541 1066516520 /nfs/dbraw/zinc/51/65/20/1066516520.db2.gz SSVFLUZUNGQJGK-QGZVFWFLSA-N 1 2 453.384 4.576 20 0 JJADLO CC[C@]1(C)CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001546079971 1066520701 /nfs/dbraw/zinc/52/07/01/1066520701.db2.gz XULRPKJODCMSOJ-JIPXPUAJSA-N 1 2 469.674 4.502 20 0 JJADLO CC[C@]1(C)CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001546079971 1066520710 /nfs/dbraw/zinc/52/07/10/1066520710.db2.gz XULRPKJODCMSOJ-JIPXPUAJSA-N 1 2 469.674 4.502 20 0 JJADLO Cc1c(NC(=O)[C@@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc(Br)cc1C(F)(F)F ZINC001456179379 1066530613 /nfs/dbraw/zinc/53/06/13/1066530613.db2.gz NLSKVXLGBFXKCG-BWACUDIHSA-N 1 2 451.327 4.849 20 0 JJADLO Cc1c(NC(=O)[C@@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc(Br)cc1C(F)(F)F ZINC001456179379 1066530624 /nfs/dbraw/zinc/53/06/24/1066530624.db2.gz NLSKVXLGBFXKCG-BWACUDIHSA-N 1 2 451.327 4.849 20 0 JJADLO Cc1cccn2cc(CCNC(=O)c3cccnc3Oc3ccc(Br)cc3)[nH+]c12 ZINC001445160530 1066541178 /nfs/dbraw/zinc/54/11/78/1066541178.db2.gz ODWGQZJJDRNSBQ-UHFFFAOYSA-N 1 2 451.324 4.565 20 0 JJADLO COc1cc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)ccc1OCc1ccc(Br)s1 ZINC000032488535 1066563385 /nfs/dbraw/zinc/56/33/85/1066563385.db2.gz DNUUPMQREIFBNT-UHFFFAOYSA-N 1 2 494.436 4.795 20 0 JJADLO COc1cc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)ccc1OCc1ccc(Br)s1 ZINC000032488535 1066563397 /nfs/dbraw/zinc/56/33/97/1066563397.db2.gz DNUUPMQREIFBNT-UHFFFAOYSA-N 1 2 494.436 4.795 20 0 JJADLO Cc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc1 ZINC001361284789 1066642898 /nfs/dbraw/zinc/64/28/98/1066642898.db2.gz IYEIPBUFUBDNSW-UHFFFAOYSA-N 1 2 461.658 4.772 20 0 JJADLO O=C(Nc1ccc(I)c(Cl)c1)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001456615156 1066644196 /nfs/dbraw/zinc/64/41/96/1066644196.db2.gz AMVQLHGEVCOUQN-BETUJISGSA-N 1 2 455.727 4.949 20 0 JJADLO CCN(C(=O)C(C)(C)Oc1ccc(OC)cc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001456685614 1066666332 /nfs/dbraw/zinc/66/63/32/1066666332.db2.gz LVJMDNMWMJLTFR-UHFFFAOYSA-N 1 2 454.615 4.592 20 0 JJADLO CC1=CCCN(c2nnc(-c3ccccc3Br)n2CCCNc2cccc[nH+]2)C1 ZINC001492610389 1066672823 /nfs/dbraw/zinc/67/28/23/1066672823.db2.gz SIPRKCNTLAYXRL-UHFFFAOYSA-N 1 2 453.388 4.761 20 0 JJADLO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1sc(-c2ccccc2)nc1C(F)F ZINC001456734457 1066677543 /nfs/dbraw/zinc/67/75/43/1066677543.db2.gz VNIFDXCNMKKDAM-KRWDZBQOSA-N 1 2 456.562 4.688 20 0 JJADLO Cc1cn2c([nH+]1)[C@H](Cn1c(COc3ccc(C)c(C)c3)nnc1N(C)CCC(F)F)CCC2 ZINC001492628802 1066700068 /nfs/dbraw/zinc/70/00/68/1066700068.db2.gz NGLSGMLPGDJIKI-IBGZPJMESA-N 1 2 458.557 4.648 20 0 JJADLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC001446520146 1066714822 /nfs/dbraw/zinc/71/48/22/1066714822.db2.gz YPHCGKDCPPXFSV-XDHUDOTRSA-N 1 2 452.002 4.806 20 0 JJADLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC001446520146 1066714841 /nfs/dbraw/zinc/71/48/41/1066714841.db2.gz YPHCGKDCPPXFSV-XDHUDOTRSA-N 1 2 452.002 4.806 20 0 JJADLO O=C(C[C@H](O)c1cccc(F)c1)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC001446525037 1066715346 /nfs/dbraw/zinc/71/53/46/1066715346.db2.gz ACUALAZNIKNWPL-AZGAKELHSA-N 1 2 452.957 4.836 20 0 JJADLO Cc1cc(C)n(CCCC(=O)N2CC[NH+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)n1 ZINC001446529057 1066715889 /nfs/dbraw/zinc/71/58/89/1066715889.db2.gz NPWXZTWTYUISTC-SANMLTNESA-N 1 2 451.014 4.867 20 0 JJADLO CCN(CC)C(=O)CCCC(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC001446529050 1066716123 /nfs/dbraw/zinc/71/61/23/1066716123.db2.gz NKVHNLLDJUNABE-AREMUKBSSA-N 1 2 456.030 4.612 20 0 JJADLO COc1cccc(OCC[NH+]2CCN(C(=O)C3(Cc4cccc(Cl)c4)CCCC3)CC2)c1 ZINC001446539173 1066718302 /nfs/dbraw/zinc/71/83/02/1066718302.db2.gz JBZFORLTYZKJHU-UHFFFAOYSA-N 1 2 457.014 4.675 20 0 JJADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1 ZINC001456938542 1066726612 /nfs/dbraw/zinc/72/66/12/1066726612.db2.gz XNDGMCNMFUBEBG-UHFFFAOYSA-N 1 2 456.590 4.737 20 0 JJADLO Cc1csc(CN(C)c2nnc(Cc3csc(C)n3)n2CCCNc2cccc[nH+]2)c1 ZINC001492646993 1066750551 /nfs/dbraw/zinc/75/05/51/1066750551.db2.gz CJXJKCXPARPAPR-UHFFFAOYSA-N 1 2 453.641 4.537 20 0 JJADLO CC(C)(C)OC(=O)N1CCC[C@]2(CCCCN2C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC001457204408 1066789035 /nfs/dbraw/zinc/78/90/35/1066789035.db2.gz WKAXHVKBQSBJHK-HFZDXXHNSA-N 1 2 452.599 4.714 20 0 JJADLO Cc1ncc(C[NH+]2CCN(c3nnc(C(C)(C)C)n3Cc3cccc(OCC(C)C)c3)CC2)s1 ZINC001492701812 1066859225 /nfs/dbraw/zinc/85/92/25/1066859225.db2.gz HXGWVPBMSDVMQW-UHFFFAOYSA-N 1 2 482.698 4.746 20 0 JJADLO Cc1ncc(C[NH+]2CCN(c3nnc(CC(C)C)n3[C@H]3CCC[C@H](C(F)(F)F)C3)CC2)s1 ZINC001492701738 1066859277 /nfs/dbraw/zinc/85/92/77/1066859277.db2.gz DWSFWBHFSDULGY-ROUUACIJSA-N 1 2 470.609 4.857 20 0 JJADLO Cc1ncc(C[NH+]2CCN(c3nnc(CC(C)C)n3Cc3cccc(C(F)F)c3)CC2)s1 ZINC001492702024 1066860006 /nfs/dbraw/zinc/86/00/06/1066860006.db2.gz PEONMHRYHVPQGC-UHFFFAOYSA-N 1 2 460.598 4.550 20 0 JJADLO Cc1nc(N2CCN(c3nnc(-c4ccc(C(C)(C)C)cc4)n3CCCOCC(C)C)CC2)cc[nH+]1 ZINC001492703206 1066861739 /nfs/dbraw/zinc/86/17/39/1066861739.db2.gz HRTMYJLFIVEYLV-UHFFFAOYSA-N 1 2 491.684 4.730 20 0 JJADLO Cc1ccc(-n2nc(Br)cc2C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001457709285 1066901350 /nfs/dbraw/zinc/90/13/50/1066901350.db2.gz IRHLUMFHSQWIQM-MRXNPFEDSA-N 1 2 450.340 4.620 20 0 JJADLO COc1cccc(CN(C)C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)c1OCc1ccccc1F ZINC001448225497 1066910941 /nfs/dbraw/zinc/91/09/41/1066910941.db2.gz GBDJRNQXECUFSL-UHFFFAOYSA-N 1 2 459.521 4.800 20 0 JJADLO O=C(N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)C(F)(F)c1ccccc1Br ZINC001448499413 1066933557 /nfs/dbraw/zinc/93/35/57/1066933557.db2.gz DGLLXCZIWCLYIT-CQSZACIVSA-N 1 2 452.343 4.985 20 0 JJADLO O=C(N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)C(F)(F)c1ccccc1Br ZINC001448499413 1066933562 /nfs/dbraw/zinc/93/35/62/1066933562.db2.gz DGLLXCZIWCLYIT-CQSZACIVSA-N 1 2 452.343 4.985 20 0 JJADLO CN(CC(C)(C)C)C(=O)c1cccc(C(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)c1 ZINC001448508417 1066934929 /nfs/dbraw/zinc/93/49/29/1066934929.db2.gz VIOURWJTSABBQT-OAQYLSRUSA-N 1 2 450.627 4.863 20 0 JJADLO CN(CC(C)(C)C)C(=O)c1cccc(C(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)c1 ZINC001448508417 1066934939 /nfs/dbraw/zinc/93/49/39/1066934939.db2.gz VIOURWJTSABBQT-OAQYLSRUSA-N 1 2 450.627 4.863 20 0 JJADLO Cc1nc(-c2ccc(C)cc2Br)sc1C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC001448665894 1066947242 /nfs/dbraw/zinc/94/72/42/1066947242.db2.gz CRVIOERNUDJBKI-OAHLLOKOSA-N 1 2 459.413 4.943 20 0 JJADLO Cc1nc(-c2ccc(C)cc2Br)sc1C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC001448665862 1066947320 /nfs/dbraw/zinc/94/73/20/1066947320.db2.gz CRVIOERNUDJBKI-HNNXBMFYSA-N 1 2 459.413 4.943 20 0 JJADLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(-c2c(F)cccc2F)no1 ZINC001458154566 1066990109 /nfs/dbraw/zinc/99/01/09/1066990109.db2.gz OBFBFBCMAMOHJK-OPAMFIHVSA-N 1 2 454.521 4.696 20 0 JJADLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(-c2c(F)cccc2F)no1 ZINC001458154566 1066990122 /nfs/dbraw/zinc/99/01/22/1066990122.db2.gz OBFBFBCMAMOHJK-OPAMFIHVSA-N 1 2 454.521 4.696 20 0 JJADLO CC[N@@H+]1CCN(C(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4Cl)c3s2)[C@H](C)C1 ZINC001449337086 1067001793 /nfs/dbraw/zinc/00/17/93/1067001793.db2.gz QRICMWXWKSPZSC-CYBMUJFWSA-N 1 2 451.423 4.928 20 0 JJADLO CC[N@H+]1CCN(C(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4Cl)c3s2)[C@H](C)C1 ZINC001449337086 1067001805 /nfs/dbraw/zinc/00/18/05/1067001805.db2.gz QRICMWXWKSPZSC-CYBMUJFWSA-N 1 2 451.423 4.928 20 0 JJADLO CC[C@@H](c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1C[C@H](OC)[C@@H](C)CC)c1ccccc1 ZINC001545743855 1067010595 /nfs/dbraw/zinc/01/05/95/1067010595.db2.gz RXRKPLUYHSGSEZ-ZWSUVBHBSA-N 1 2 476.669 4.905 20 0 JJADLO Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)OCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)c1 ZINC001458260842 1067015855 /nfs/dbraw/zinc/01/58/55/1067015855.db2.gz LNKWSHWOLGANCB-JOCHJYFZSA-N 1 2 459.377 4.980 20 0 JJADLO Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)OCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)c1 ZINC001458260842 1067015865 /nfs/dbraw/zinc/01/58/65/1067015865.db2.gz LNKWSHWOLGANCB-JOCHJYFZSA-N 1 2 459.377 4.980 20 0 JJADLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1cccc(CSc2c(Cl)cccc2Cl)c1 ZINC001449681441 1067019669 /nfs/dbraw/zinc/01/96/69/1067019669.db2.gz JCEDJRYNTDIGMZ-HDICACEKSA-N 1 2 451.419 4.879 20 0 JJADLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1cccc(CSc2c(Cl)cccc2Cl)c1 ZINC001449681441 1067019686 /nfs/dbraw/zinc/01/96/86/1067019686.db2.gz JCEDJRYNTDIGMZ-HDICACEKSA-N 1 2 451.419 4.879 20 0 JJADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)C(F)(F)c2ccc(C(C)(C)C)cc2)c2ccc(Cl)cc2)C1 ZINC001458451548 1067065655 /nfs/dbraw/zinc/06/56/55/1067065655.db2.gz HOOAKNDMGGOFIZ-LEWJYISDSA-N 1 2 450.957 4.917 20 0 JJADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)C(F)(F)c2ccc(C(C)(C)C)cc2)c2ccc(Cl)cc2)C1 ZINC001458451548 1067065671 /nfs/dbraw/zinc/06/56/71/1067065671.db2.gz HOOAKNDMGGOFIZ-LEWJYISDSA-N 1 2 450.957 4.917 20 0 JJADLO CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[N@H+](Cc2ccc(Cl)cc2)C[C@H]1CC(C)C ZINC001450288993 1067069380 /nfs/dbraw/zinc/06/93/80/1067069380.db2.gz ARXJXSNLXFQCQZ-NHCUHLMSSA-N 1 2 452.039 4.702 20 0 JJADLO CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[N@@H+](Cc2ccc(Cl)cc2)C[C@H]1CC(C)C ZINC001450288993 1067069393 /nfs/dbraw/zinc/06/93/93/1067069393.db2.gz ARXJXSNLXFQCQZ-NHCUHLMSSA-N 1 2 452.039 4.702 20 0 JJADLO CCC(CC)(Cn1c(-c2ccccc2C)nnc1N1CC[C@H]([NH+]2CCN(C(C)C)CC2)C1)SC ZINC001545775953 1067069838 /nfs/dbraw/zinc/06/98/38/1067069838.db2.gz QGJPFWRMTRMOTR-QHCPKHFHSA-N 1 2 484.758 4.780 20 0 JJADLO Cn1cnc(-c2ccc(Br)cc2)c1NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC001450381272 1067075057 /nfs/dbraw/zinc/07/50/57/1067075057.db2.gz PVLHKQFCOULVKN-GOSISDBHSA-N 1 2 450.340 4.733 20 0 JJADLO CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCCN2C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC001450414979 1067078498 /nfs/dbraw/zinc/07/84/98/1067078498.db2.gz QYIUQHPPIXVKDJ-BDTNDASRSA-N 1 2 452.599 4.570 20 0 JJADLO CCOc1cc(C(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)cc(OCC)c1OCC ZINC001450523068 1067085984 /nfs/dbraw/zinc/08/59/84/1067085984.db2.gz MKSYVBFAVQRTIX-UHFFFAOYSA-N 1 2 454.611 4.964 20 0 JJADLO CCC(CC)(Cn1c(COc2ccc(F)cc2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1)SC ZINC001545795108 1067095063 /nfs/dbraw/zinc/09/50/63/1067095063.db2.gz XYSOMAHPFQLOPE-UHFFFAOYSA-N 1 2 498.672 4.942 20 0 JJADLO CC[N@H+](CC(=O)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1)Cc1ccccc1Cl ZINC001450748467 1067115586 /nfs/dbraw/zinc/11/55/86/1067115586.db2.gz ULUQUOHJWGDEDA-FQEVSTJZSA-N 1 2 456.892 4.661 20 0 JJADLO CC[N@@H+](CC(=O)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1)Cc1ccccc1Cl ZINC001450748467 1067115599 /nfs/dbraw/zinc/11/55/99/1067115599.db2.gz ULUQUOHJWGDEDA-FQEVSTJZSA-N 1 2 456.892 4.661 20 0 JJADLO Cc1cnc(CSc2nnc(C[NH+]3CCCCC3)n2-c2ccc(OC(F)F)cc2)s1 ZINC001458749573 1067131040 /nfs/dbraw/zinc/13/10/40/1067131040.db2.gz ARBNTUWPNAJCER-UHFFFAOYSA-N 1 2 451.568 4.912 20 0 JJADLO CN(C)C(=O)Sc1ccc(CSc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)cc1 ZINC001458750854 1067131554 /nfs/dbraw/zinc/13/15/54/1067131554.db2.gz LQTLYYIRSFTOSZ-UHFFFAOYSA-N 1 2 453.637 4.929 20 0 JJADLO CC(C)(C)OC(=O)NC[C@@H](C(=O)NCc1ccccc1Cn1cc[nH+]c1)C1CCCCCC1 ZINC001450852774 1067132312 /nfs/dbraw/zinc/13/23/12/1067132312.db2.gz YPGWYTLMWXVIKN-HSZRJFAPSA-N 1 2 454.615 4.659 20 0 JJADLO CCC1(CC)CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001546103810 1067147805 /nfs/dbraw/zinc/14/78/05/1067147805.db2.gz XQAQHWFLYZUUBG-PMACEKPBSA-N 1 2 476.065 4.809 20 0 JJADLO CCC1(CC)CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001546103810 1067147810 /nfs/dbraw/zinc/14/78/10/1067147810.db2.gz XQAQHWFLYZUUBG-PMACEKPBSA-N 1 2 476.065 4.809 20 0 JJADLO Cc1ccc(C)c(OCCCCC(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)c1 ZINC001458815627 1067153692 /nfs/dbraw/zinc/15/36/92/1067153692.db2.gz SFAAEABAOBAJEN-UHFFFAOYSA-N 1 2 458.400 4.930 20 0 JJADLO CCCc1c(C(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)cnn1C1CCCC1 ZINC001458819256 1067154902 /nfs/dbraw/zinc/15/49/02/1067154902.db2.gz YEKJSHSIVRGBCG-UHFFFAOYSA-N 1 2 458.404 4.642 20 0 JJADLO C[C@@H](c1nnc(SCc2cccc(S(C)(=O)=O)c2)n1-c1ccccc1)[NH+]1CCCCC1 ZINC001458844096 1067169387 /nfs/dbraw/zinc/16/93/87/1067169387.db2.gz JNMISWUVZDKIAE-SFHVURJKSA-N 1 2 456.637 4.510 20 0 JJADLO CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)C2CCCCC2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001545843803 1067195692 /nfs/dbraw/zinc/19/56/92/1067195692.db2.gz JQXFDYDHTYOURK-IBGZPJMESA-N 1 2 495.647 4.975 20 0 JJADLO COc1ccc(-c2nc(C)c(C(=O)N3CCC(CCCn4cc[nH+]c4)CC3)s2)cc1OC ZINC001546105585 1067230731 /nfs/dbraw/zinc/23/07/31/1067230731.db2.gz OPIDKOBDCROEKP-UHFFFAOYSA-N 1 2 454.596 4.665 20 0 JJADLO C[NH+]1CCN(c2ccc(NC(=O)c3cccc(OC4CCCC4)c3)cc2Br)CC1 ZINC001459044339 1067237864 /nfs/dbraw/zinc/23/78/64/1067237864.db2.gz MVONXSWNMUFDOE-UHFFFAOYSA-N 1 2 458.400 4.775 20 0 JJADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(C)(C)c3ccc(-c4ccccc4)cc3)c2)CC1 ZINC001459072133 1067244798 /nfs/dbraw/zinc/24/47/98/1067244798.db2.gz TVCZNANLKWPBTO-UHFFFAOYSA-N 1 2 455.602 4.934 20 0 JJADLO O=C(CSc1ccc(Br)c(Cl)c1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC001459097017 1067249709 /nfs/dbraw/zinc/24/97/09/1067249709.db2.gz WFSMEJHSSNQYKF-UHFFFAOYSA-N 1 2 455.805 4.666 20 0 JJADLO CC(C)(C)OC(=O)N1Cc2cccc(NC(=O)[C@H](c3ccccc3)[NH+]3CCSCC3)c2C1 ZINC001453159854 1067284782 /nfs/dbraw/zinc/28/47/82/1067284782.db2.gz AQERMSXONZOGGJ-QFIPXVFZSA-N 1 2 453.608 4.666 20 0 JJADLO CCCCCCn1nc(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c2ccccc2c1=O ZINC001459304975 1067288332 /nfs/dbraw/zinc/28/83/32/1067288332.db2.gz YSCJMTNBELRWLT-LJQANCHMSA-N 1 2 452.624 4.557 20 0 JJADLO O=C(NCCc1ccc(F)cc1)[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(OC(F)F)cc1 ZINC001459307587 1067289683 /nfs/dbraw/zinc/28/96/83/1067289683.db2.gz DPNDJPAXFMWHTJ-DEOSSOPVSA-N 1 2 454.492 4.713 20 0 JJADLO O=C(NCCc1ccc(F)cc1)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(OC(F)F)cc1 ZINC001459307587 1067289690 /nfs/dbraw/zinc/28/96/90/1067289690.db2.gz DPNDJPAXFMWHTJ-DEOSSOPVSA-N 1 2 454.492 4.713 20 0 JJADLO O=C(NCCc1ccc(F)cc1)[C@H]1Cc2ccccc2C[N@@H+]1CCCc1c(F)cccc1F ZINC001459311304 1067291012 /nfs/dbraw/zinc/29/10/12/1067291012.db2.gz RXWPZKFADNZZMU-AREMUKBSSA-N 1 2 452.520 4.822 20 0 JJADLO O=C(NCCc1ccc(F)cc1)[C@H]1Cc2ccccc2C[N@H+]1CCCc1c(F)cccc1F ZINC001459311304 1067291023 /nfs/dbraw/zinc/29/10/23/1067291023.db2.gz RXWPZKFADNZZMU-AREMUKBSSA-N 1 2 452.520 4.822 20 0 JJADLO C[N@H+](CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC001459346759 1067299344 /nfs/dbraw/zinc/29/93/44/1067299344.db2.gz HHJHEBQGGKDEMY-UNMCSNQZSA-N 1 2 453.385 4.850 20 0 JJADLO C[N@@H+](CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC001459346759 1067299356 /nfs/dbraw/zinc/29/93/56/1067299356.db2.gz HHJHEBQGGKDEMY-UNMCSNQZSA-N 1 2 453.385 4.850 20 0 JJADLO COc1ccc(F)cc1-c1cncc(C[NH+]2CCN(Cc3csc(C(C)(C)C)n3)CC2)c1 ZINC001459365512 1067304503 /nfs/dbraw/zinc/30/45/03/1067304503.db2.gz XRBSLIHYFSNKAA-UHFFFAOYSA-N 1 2 454.615 4.968 20 0 JJADLO CC(C)[N@H+](CC(=O)NCCc1cccc2cccnc21)Cc1cc(Br)ccc1F ZINC001459372999 1067306186 /nfs/dbraw/zinc/30/61/86/1067306186.db2.gz GIBXGERKCWUJQT-UHFFFAOYSA-N 1 2 458.375 4.706 20 0 JJADLO CC(C)[N@@H+](CC(=O)NCCc1cccc2cccnc21)Cc1cc(Br)ccc1F ZINC001459372999 1067306196 /nfs/dbraw/zinc/30/61/96/1067306196.db2.gz GIBXGERKCWUJQT-UHFFFAOYSA-N 1 2 458.375 4.706 20 0 JJADLO CCOC(=O)c1sc2nc(C[N@H+](C)[C@@H](C)c3cccc(C(F)(F)F)c3)nc(N)c2c1C ZINC001459376205 1067307401 /nfs/dbraw/zinc/30/74/01/1067307401.db2.gz IDDKHLJIGBZJLD-LBPRGKRZSA-N 1 2 452.502 4.970 20 0 JJADLO CCOC(=O)c1sc2nc(C[N@@H+](C)[C@@H](C)c3cccc(C(F)(F)F)c3)nc(N)c2c1C ZINC001459376205 1067307411 /nfs/dbraw/zinc/30/74/11/1067307411.db2.gz IDDKHLJIGBZJLD-LBPRGKRZSA-N 1 2 452.502 4.970 20 0 JJADLO CCCCCCc1ccc(-c2csc(NC(=O)[C@H](C)[NH+]3CCC(NC(C)=O)CC3)n2)cc1 ZINC001459394219 1067312149 /nfs/dbraw/zinc/31/21/49/1067312149.db2.gz QLPPKMZXSGUQBK-SFHVURJKSA-N 1 2 456.656 4.860 20 0 JJADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cc3cc(OC)ccc3nc2Cl)[C@H](C)C1 ZINC001459412222 1067316571 /nfs/dbraw/zinc/31/65/71/1067316571.db2.gz JSGFXALLOJRYRW-QGZVFWFLSA-N 1 2 453.970 4.642 20 0 JJADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cc3cc(OC)ccc3nc2Cl)[C@H](C)C1 ZINC001459412222 1067316583 /nfs/dbraw/zinc/31/65/83/1067316583.db2.gz JSGFXALLOJRYRW-QGZVFWFLSA-N 1 2 453.970 4.642 20 0 JJADLO CCc1oc(C(=O)OC)cc1C[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 ZINC001459457646 1067328590 /nfs/dbraw/zinc/32/85/90/1067328590.db2.gz RODFCVLFAMURME-UHFFFAOYSA-N 1 2 451.498 4.970 20 0 JJADLO CCc1oc(C(=O)OC)cc1C[N@H+]1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 ZINC001459457646 1067328601 /nfs/dbraw/zinc/32/86/01/1067328601.db2.gz RODFCVLFAMURME-UHFFFAOYSA-N 1 2 451.498 4.970 20 0 JJADLO COC(=O)c1ccc(Br)c(CN2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)c1 ZINC001459555620 1067350183 /nfs/dbraw/zinc/35/01/83/1067350183.db2.gz BZHHWPPLKYPNRB-HNNXBMFYSA-N 1 2 451.792 4.768 20 0 JJADLO COC(=O)c1ccc(Br)c(CN2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)c1 ZINC001459555623 1067350420 /nfs/dbraw/zinc/35/04/20/1067350420.db2.gz BZHHWPPLKYPNRB-OAHLLOKOSA-N 1 2 451.792 4.768 20 0 JJADLO CCOC(=O)C1=C(C[N@@H+]2CC[C@H](C)C[C@H]2c2ccco2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001459563728 1067352332 /nfs/dbraw/zinc/35/23/32/1067352332.db2.gz NCEHQRXYVHYQGU-OHEPNIRZSA-N 1 2 457.958 4.577 20 0 JJADLO CCOC(=O)C1=C(C[N@H+]2CC[C@H](C)C[C@H]2c2ccco2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001459563728 1067352338 /nfs/dbraw/zinc/35/23/38/1067352338.db2.gz NCEHQRXYVHYQGU-OHEPNIRZSA-N 1 2 457.958 4.577 20 0 JJADLO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+]([C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)C1 ZINC001459571476 1067354887 /nfs/dbraw/zinc/35/48/87/1067354887.db2.gz BDZITCUMOLLVOE-ZFWWWQNUSA-N 1 2 458.550 4.588 20 0 JJADLO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+]([C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)C1 ZINC001459571476 1067354898 /nfs/dbraw/zinc/35/48/98/1067354898.db2.gz BDZITCUMOLLVOE-ZFWWWQNUSA-N 1 2 458.550 4.588 20 0 JJADLO Cc1sc(NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)nc1-c1ccc2c(c1)CCC(=O)N2 ZINC001459587571 1067358014 /nfs/dbraw/zinc/35/80/14/1067358014.db2.gz WOFLBUAGMOQZNS-OAQYLSRUSA-N 1 2 454.983 4.898 20 0 JJADLO CC[N@H+](CC(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1)Cc1cnn(C)c1 ZINC001459704391 1067388883 /nfs/dbraw/zinc/38/88/83/1067388883.db2.gz JGUWOOYLYWIKNI-UHFFFAOYSA-N 1 2 459.413 4.794 20 0 JJADLO CC[N@@H+](CC(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1)Cc1cnn(C)c1 ZINC001459704391 1067388894 /nfs/dbraw/zinc/38/88/94/1067388894.db2.gz JGUWOOYLYWIKNI-UHFFFAOYSA-N 1 2 459.413 4.794 20 0 JJADLO CCOCN(C(=O)C[N@H+](CC(=O)Nc1ccc(F)cc1)C(C)(C)C)c1c(C)cccc1CC ZINC001459714139 1067392790 /nfs/dbraw/zinc/39/27/90/1067392790.db2.gz DEQQBPBUHODHGT-UHFFFAOYSA-N 1 2 457.590 4.763 20 0 JJADLO CCOCN(C(=O)C[N@@H+](CC(=O)Nc1ccc(F)cc1)C(C)(C)C)c1c(C)cccc1CC ZINC001459714139 1067392801 /nfs/dbraw/zinc/39/28/01/1067392801.db2.gz DEQQBPBUHODHGT-UHFFFAOYSA-N 1 2 457.590 4.763 20 0 JJADLO O=C(Nc1ccc(O)cc1)C1CC[NH+](Cc2cccc(Br)c2OC(F)F)CC1 ZINC001459749571 1067405482 /nfs/dbraw/zinc/40/54/82/1067405482.db2.gz VSRGZKVUUIMQFT-UHFFFAOYSA-N 1 2 455.299 4.607 20 0 JJADLO O=C(NC[C@H]1CCCN(c2ccccc2)C1)[C@@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001459753963 1067407331 /nfs/dbraw/zinc/40/73/31/1067407331.db2.gz HMBNYZCVCRGHND-AUSIDOKSSA-N 1 2 456.428 4.619 20 0 JJADLO CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)C[N@H+](C)CCOC(C)(C)C ZINC001459771605 1067415583 /nfs/dbraw/zinc/41/55/83/1067415583.db2.gz YPVISXDWNTZQCF-UHFFFAOYSA-N 1 2 453.004 4.931 20 0 JJADLO CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)C[N@@H+](C)CCOC(C)(C)C ZINC001459771605 1067415587 /nfs/dbraw/zinc/41/55/87/1067415587.db2.gz YPVISXDWNTZQCF-UHFFFAOYSA-N 1 2 453.004 4.931 20 0 JJADLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1CC(=O)N(CC)[C@@H](C)c1ccc(F)cc1 ZINC001459792853 1067426096 /nfs/dbraw/zinc/42/60/96/1067426096.db2.gz WDKWFECZMOBFBV-YBXDKENTSA-N 1 2 454.634 4.671 20 0 JJADLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1CC(=O)N(CC)[C@@H](C)c1ccc(F)cc1 ZINC001459792853 1067426105 /nfs/dbraw/zinc/42/61/05/1067426105.db2.gz WDKWFECZMOBFBV-YBXDKENTSA-N 1 2 454.634 4.671 20 0 JJADLO CCn1c2cccc(F)c2nc1C[NH+]1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001459863899 1067462457 /nfs/dbraw/zinc/46/24/57/1067462457.db2.gz DSOAGCUIYYSZEQ-UHFFFAOYSA-N 1 2 451.464 4.664 20 0 JJADLO CCS(=O)(=O)c1ccc2oc(C[NH2+][C@H](COCc3ccccc3)c3ccccc3)nc2c1 ZINC001459885568 1067473040 /nfs/dbraw/zinc/47/30/40/1067473040.db2.gz RVDITRYMQODYDL-HSZRJFAPSA-N 1 2 450.560 4.669 20 0 JJADLO C[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NCc1ccccc1)c1nc(C(C)(C)C)cs1 ZINC001459901064 1067480327 /nfs/dbraw/zinc/48/03/27/1067480327.db2.gz FMWZLHCVZIPBNA-KRWDZBQOSA-N 1 2 450.608 4.660 20 0 JJADLO Fc1ccc(-n2cnc3c2CC[N@@H+](Cc2cc(Br)ccc2OC(F)F)C3)cc1 ZINC001459935409 1067498544 /nfs/dbraw/zinc/49/85/44/1067498544.db2.gz VOKLPHAQVSBSQP-UHFFFAOYSA-N 1 2 452.274 4.934 20 0 JJADLO Fc1ccc(-n2cnc3c2CC[N@H+](Cc2cc(Br)ccc2OC(F)F)C3)cc1 ZINC001459935409 1067498547 /nfs/dbraw/zinc/49/85/47/1067498547.db2.gz VOKLPHAQVSBSQP-UHFFFAOYSA-N 1 2 452.274 4.934 20 0 JJADLO C[C@@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)CC[S@](=O)C1 ZINC001459953687 1067505270 /nfs/dbraw/zinc/50/52/70/1067505270.db2.gz XLRGYCYFFHBVPI-UULLZXFKSA-N 1 2 458.425 4.502 20 0 JJADLO C[C@@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)CC[S@](=O)C1 ZINC001459953687 1067505283 /nfs/dbraw/zinc/50/52/83/1067505283.db2.gz XLRGYCYFFHBVPI-UULLZXFKSA-N 1 2 458.425 4.502 20 0 JJADLO CCCOc1nc2ccccc2cc1/C=C/C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC001459990082 1067517197 /nfs/dbraw/zinc/51/71/97/1067517197.db2.gz IYHKIPNAPQZEIF-BQYQJAHWSA-N 1 2 450.608 4.658 20 0 JJADLO Cc1nc(SC2CCCC2)sc1CC(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC001459995014 1067519185 /nfs/dbraw/zinc/51/91/85/1067519185.db2.gz UYVBRGZEVIWFMW-UHFFFAOYSA-N 1 2 450.699 4.650 20 0 JJADLO COc1ccccc1[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1CCN1CCCc2ccccc21 ZINC001460007532 1067524668 /nfs/dbraw/zinc/52/46/68/1067524668.db2.gz RWUPSJLJROIPAI-DEOSSOPVSA-N 1 2 451.611 4.742 20 0 JJADLO COc1ccccc1[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1CCN1CCCc2ccccc21 ZINC001460007532 1067524673 /nfs/dbraw/zinc/52/46/73/1067524673.db2.gz RWUPSJLJROIPAI-DEOSSOPVSA-N 1 2 451.611 4.742 20 0 JJADLO COc1cccc(C[N@H+](C)Cc2cc(-c3cnn(C)c3C)no2)c1OCc1ccccc1F ZINC001460008445 1067525215 /nfs/dbraw/zinc/52/52/15/1067525215.db2.gz VWINOIIPTSNIRF-UHFFFAOYSA-N 1 2 450.514 4.742 20 0 JJADLO COc1cccc(C[N@@H+](C)Cc2cc(-c3cnn(C)c3C)no2)c1OCc1ccccc1F ZINC001460008445 1067525223 /nfs/dbraw/zinc/52/52/23/1067525223.db2.gz VWINOIIPTSNIRF-UHFFFAOYSA-N 1 2 450.514 4.742 20 0 JJADLO CCOC(=O)C1=C(C[N@H+](CC=C(C)C)Cc2ccc(Cl)cc2)NC(=O)N[C@@H]1c1ccco1 ZINC001460009656 1067525584 /nfs/dbraw/zinc/52/55/84/1067525584.db2.gz VJCXHUBHLUALGM-JOCHJYFZSA-N 1 2 457.958 4.573 20 0 JJADLO CCOC(=O)C1=C(C[N@@H+](CC=C(C)C)Cc2ccc(Cl)cc2)NC(=O)N[C@@H]1c1ccco1 ZINC001460009656 1067525592 /nfs/dbraw/zinc/52/55/92/1067525592.db2.gz VJCXHUBHLUALGM-JOCHJYFZSA-N 1 2 457.958 4.573 20 0 JJADLO CC(C)(C)OC(=O)NCC[C@H]1CCC[N@H+](Cc2nc3scc(-c4ccco4)c3c(=O)[nH]2)C1 ZINC001460015619 1067528679 /nfs/dbraw/zinc/52/86/79/1067528679.db2.gz KDMRYBLCKLWVMA-OAHLLOKOSA-N 1 2 458.584 4.784 20 0 JJADLO CC(C)(C)OC(=O)NCC[C@H]1CCC[N@@H+](Cc2nc3scc(-c4ccco4)c3c(=O)[nH]2)C1 ZINC001460015619 1067528684 /nfs/dbraw/zinc/52/86/84/1067528684.db2.gz KDMRYBLCKLWVMA-OAHLLOKOSA-N 1 2 458.584 4.784 20 0 JJADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC001460020630 1067531039 /nfs/dbraw/zinc/53/10/39/1067531039.db2.gz RVAPRKYWEHUOJB-ZETCQYMHSA-N 1 2 456.273 4.545 20 0 JJADLO Cc1sc2nc(C[N@H+](CCCNC(=O)OC(C)(C)C)Cc3ccccc3)[nH]c(=O)c2c1C ZINC001460049470 1067539216 /nfs/dbraw/zinc/53/92/16/1067539216.db2.gz KDNKVOMOKLHSJR-UHFFFAOYSA-N 1 2 456.612 4.931 20 0 JJADLO Cc1sc2nc(C[N@@H+](CCCNC(=O)OC(C)(C)C)Cc3ccccc3)[nH]c(=O)c2c1C ZINC001460049470 1067539221 /nfs/dbraw/zinc/53/92/21/1067539221.db2.gz KDNKVOMOKLHSJR-UHFFFAOYSA-N 1 2 456.612 4.931 20 0 JJADLO CC(C)(C)c1ccc(S(=O)(=O)CC[N@@H+](Cc2ccccc2)C[C@H](O)c2ccccc2)cc1 ZINC001460087524 1067550840 /nfs/dbraw/zinc/55/08/40/1067550840.db2.gz BNIXIOHVCJTKTC-SANMLTNESA-N 1 2 451.632 4.994 20 0 JJADLO CC(C)(C)c1ccc(S(=O)(=O)CC[N@H+](Cc2ccccc2)C[C@H](O)c2ccccc2)cc1 ZINC001460087524 1067550845 /nfs/dbraw/zinc/55/08/45/1067550845.db2.gz BNIXIOHVCJTKTC-SANMLTNESA-N 1 2 451.632 4.994 20 0 JJADLO Cc1cccc(Cl)c1NC(=O)C[NH+]1CCC([C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC001460106576 1067556185 /nfs/dbraw/zinc/55/61/85/1067556185.db2.gz QVUCJMVYLMABKY-OAQYLSRUSA-N 1 2 450.023 4.944 20 0 JJADLO CCc1ccc(NC(=O)c2nnc(C[NH2+][C@H]3C[C@H](OCc4ccccc4)C3(C)C)s2)cc1 ZINC001460128751 1067561013 /nfs/dbraw/zinc/56/10/13/1067561013.db2.gz YIAIUCGPUCNFIR-SFTDATJTSA-N 1 2 450.608 4.826 20 0 JJADLO C[N@H+](CC(=O)NC(c1ccccc1)c1ccccc1)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC001460153403 1067565995 /nfs/dbraw/zinc/56/59/95/1067565995.db2.gz YXBLYCXPAOESAG-UHFFFAOYSA-N 1 2 455.602 4.650 20 0 JJADLO C[N@@H+](CC(=O)NC(c1ccccc1)c1ccccc1)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC001460153403 1067566002 /nfs/dbraw/zinc/56/60/02/1067566002.db2.gz YXBLYCXPAOESAG-UHFFFAOYSA-N 1 2 455.602 4.650 20 0 JJADLO CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)[N@@H+]1Cc3ccccc3OC(C)(C)C1)CCCC2 ZINC001460174853 1067571111 /nfs/dbraw/zinc/57/11/11/1067571111.db2.gz KGFJWJGOZDWYTC-MRXNPFEDSA-N 1 2 456.608 4.804 20 0 JJADLO CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)[N@H+]1Cc3ccccc3OC(C)(C)C1)CCCC2 ZINC001460174853 1067571118 /nfs/dbraw/zinc/57/11/18/1067571118.db2.gz KGFJWJGOZDWYTC-MRXNPFEDSA-N 1 2 456.608 4.804 20 0 JJADLO OC[C@]1(Cc2ccccc2)CCC[N@H+](Cc2ccc(I)c(Cl)c2)C1 ZINC001460182529 1067573354 /nfs/dbraw/zinc/57/33/54/1067573354.db2.gz RODCJBYKECTLMJ-FQEVSTJZSA-N 1 2 455.767 4.762 20 0 JJADLO OC[C@]1(Cc2ccccc2)CCC[N@@H+](Cc2ccc(I)c(Cl)c2)C1 ZINC001460182529 1067573357 /nfs/dbraw/zinc/57/33/57/1067573357.db2.gz RODCJBYKECTLMJ-FQEVSTJZSA-N 1 2 455.767 4.762 20 0 JJADLO Cc1c(C(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)cnn1-c1ccc(Br)cc1 ZINC001460273113 1067595366 /nfs/dbraw/zinc/59/53/66/1067595366.db2.gz QPIVGFQGJBOHRB-UHFFFAOYSA-N 1 2 450.340 4.810 20 0 JJADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@@H+]1CCC[C@]1(C)Cc1ccccc1F ZINC001460290566 1067599985 /nfs/dbraw/zinc/59/99/85/1067599985.db2.gz SFRUHMGMKJQUOA-JOCHJYFZSA-N 1 2 453.341 4.955 20 0 JJADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+]1CCC[C@]1(C)Cc1ccccc1F ZINC001460290566 1067599989 /nfs/dbraw/zinc/59/99/89/1067599989.db2.gz SFRUHMGMKJQUOA-JOCHJYFZSA-N 1 2 453.341 4.955 20 0 JJADLO O=C(C[C@H]1CCC[N@H+](Cc2c(F)ccc(Br)c2F)C1)NCc1ccc(F)cc1 ZINC001460302989 1067602879 /nfs/dbraw/zinc/60/28/79/1067602879.db2.gz VMRIBZBBCAKJNQ-OAHLLOKOSA-N 1 2 455.318 4.785 20 0 JJADLO O=C(C[C@H]1CCC[N@@H+](Cc2c(F)ccc(Br)c2F)C1)NCc1ccc(F)cc1 ZINC001460302989 1067602884 /nfs/dbraw/zinc/60/28/84/1067602884.db2.gz VMRIBZBBCAKJNQ-OAHLLOKOSA-N 1 2 455.318 4.785 20 0 JJADLO Cc1cccc2c1N(C(=O)C[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1)CC[C@H]2C ZINC001460354925 1067615308 /nfs/dbraw/zinc/61/53/08/1067615308.db2.gz YHRYGHDEJFMLKO-HXUWFJFHSA-N 1 2 451.611 4.862 20 0 JJADLO Cc1cccc2c1N(C(=O)C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1)CC[C@H]2C ZINC001460354925 1067615313 /nfs/dbraw/zinc/61/53/13/1067615313.db2.gz YHRYGHDEJFMLKO-HXUWFJFHSA-N 1 2 451.611 4.862 20 0 JJADLO CC(C)(C)OC(=O)N1CCC[C@@H](C2CC[NH+](CC(=O)Nc3ccc(F)cc3Cl)CC2)C1 ZINC001460410841 1067629844 /nfs/dbraw/zinc/62/98/44/1067629844.db2.gz XAWAREHSFWCFLZ-QGZVFWFLSA-N 1 2 453.986 4.777 20 0 JJADLO COc1ccc2c(c1)OC[C@H](C(=O)N1CC[N@H+](Cc3ccc(Cl)cc3)C[C@@H]1CC(C)C)C2 ZINC001460435618 1067634404 /nfs/dbraw/zinc/63/44/04/1067634404.db2.gz ILSIURNLDQJEPA-GGAORHGYSA-N 1 2 457.014 4.659 20 0 JJADLO COc1ccc2c(c1)OC[C@H](C(=O)N1CC[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]1CC(C)C)C2 ZINC001460435618 1067634407 /nfs/dbraw/zinc/63/44/07/1067634407.db2.gz ILSIURNLDQJEPA-GGAORHGYSA-N 1 2 457.014 4.659 20 0 JJADLO CC(C)N(C)c1ccc(NC(=O)CC[N@@H+]2CCc3sc(Br)cc3C2)cc1F ZINC001460442923 1067635686 /nfs/dbraw/zinc/63/56/86/1067635686.db2.gz MQUYEAHDESHVHM-UHFFFAOYSA-N 1 2 454.409 4.881 20 0 JJADLO CC(C)N(C)c1ccc(NC(=O)CC[N@H+]2CCc3sc(Br)cc3C2)cc1F ZINC001460442923 1067635695 /nfs/dbraw/zinc/63/56/95/1067635695.db2.gz MQUYEAHDESHVHM-UHFFFAOYSA-N 1 2 454.409 4.881 20 0 JJADLO C[C@H]([NH2+][C@H](CO)c1cccc(Cl)c1Cl)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC001460468840 1067639635 /nfs/dbraw/zinc/63/96/35/1067639635.db2.gz FLWDYVASLSQWNO-MEDUHNTESA-N 1 2 454.354 4.906 20 0 JJADLO O=C(C[NH2+][C@H](CO)c1cccc(Cl)c1Cl)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC001460474738 1067640863 /nfs/dbraw/zinc/64/08/63/1067640863.db2.gz WBZGPKDFQALKKU-JTHBVZDNSA-N 1 2 455.385 4.791 20 0 JJADLO Clc1cc(Br)ccc1C[NH+]1CCC(Cc2nc(C3CCOCC3)no2)CC1 ZINC001460575562 1067659143 /nfs/dbraw/zinc/65/91/43/1067659143.db2.gz CKORYAAVEUNFSY-UHFFFAOYSA-N 1 2 454.796 4.834 20 0 JJADLO CCOC(=O)C1C(C[NH2+][C@](C)(CC)c2ccc(F)cc2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001460600652 1067667104 /nfs/dbraw/zinc/66/71/04/1067667104.db2.gz FUWYTBJGFLCVKY-XUZZJYLKSA-N 1 2 459.949 4.565 20 0 JJADLO COC(=O)CC[N@H+](CC(=O)Nc1nc(-c2c(C)cc(C)cc2C)cs1)Cc1ccccc1 ZINC001460603149 1067668131 /nfs/dbraw/zinc/66/81/31/1067668131.db2.gz AWGKTNQKJXRNQW-UHFFFAOYSA-N 1 2 451.592 4.739 20 0 JJADLO COC(=O)CC[N@@H+](CC(=O)Nc1nc(-c2c(C)cc(C)cc2C)cs1)Cc1ccccc1 ZINC001460603149 1067668135 /nfs/dbraw/zinc/66/81/35/1067668135.db2.gz AWGKTNQKJXRNQW-UHFFFAOYSA-N 1 2 451.592 4.739 20 0 JJADLO C[C@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC001460612529 1067672601 /nfs/dbraw/zinc/67/26/01/1067672601.db2.gz VTCNGHSECCILIU-HOCLYGCPSA-N 1 2 457.397 4.931 20 0 JJADLO C[C@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC001460612529 1067672606 /nfs/dbraw/zinc/67/26/06/1067672606.db2.gz VTCNGHSECCILIU-HOCLYGCPSA-N 1 2 457.397 4.931 20 0 JJADLO COC(=O)c1cccc(-c2nc(C[N@@H+]3CCN(C(=O)OC(C)(C)C)CCC3(C)C)cs2)c1 ZINC001460649506 1067685819 /nfs/dbraw/zinc/68/58/19/1067685819.db2.gz DXHZMUXXRAEMJD-UHFFFAOYSA-N 1 2 459.612 4.818 20 0 JJADLO COC(=O)c1cccc(-c2nc(C[N@H+]3CCN(C(=O)OC(C)(C)C)CCC3(C)C)cs2)c1 ZINC001460649506 1067685824 /nfs/dbraw/zinc/68/58/24/1067685824.db2.gz DXHZMUXXRAEMJD-UHFFFAOYSA-N 1 2 459.612 4.818 20 0 JJADLO COC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1csc(N(C(C)=O)c3cccc(C(F)(F)F)c3)n1)C2 ZINC001460716168 1067707880 /nfs/dbraw/zinc/70/78/80/1067707880.db2.gz FPIQCGHGJTUEKM-KKSFZXQISA-N 1 2 467.513 4.622 20 0 JJADLO COC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1csc(N(C(C)=O)c3cccc(C(F)(F)F)c3)n1)C2 ZINC001460716168 1067707887 /nfs/dbraw/zinc/70/78/87/1067707887.db2.gz FPIQCGHGJTUEKM-KKSFZXQISA-N 1 2 467.513 4.622 20 0 JJADLO C[N@@H+](Cc1ccccc1Oc1ccc(Cl)cc1Br)C[C@H]1CCCS1(=O)=O ZINC001460718635 1067709003 /nfs/dbraw/zinc/70/90/03/1067709003.db2.gz ZWLDJIMNROOPTR-MRXNPFEDSA-N 1 2 458.805 4.904 20 0 JJADLO C[N@H+](Cc1ccccc1Oc1ccc(Cl)cc1Br)C[C@H]1CCCS1(=O)=O ZINC001460718635 1067709013 /nfs/dbraw/zinc/70/90/13/1067709013.db2.gz ZWLDJIMNROOPTR-MRXNPFEDSA-N 1 2 458.805 4.904 20 0 JJADLO CC(C)OCc1noc(C[N@@H+]2CCC[C@@H](C[C@@H](NC(=O)OC(C)(C)C)C3CCCC3)C2)n1 ZINC001460746826 1067714604 /nfs/dbraw/zinc/71/46/04/1067714604.db2.gz KTFDJXYLZSWACR-AZUAARDMSA-N 1 2 450.624 4.680 20 0 JJADLO CC(C)OCc1noc(C[N@H+]2CCC[C@@H](C[C@@H](NC(=O)OC(C)(C)C)C3CCCC3)C2)n1 ZINC001460746826 1067714610 /nfs/dbraw/zinc/71/46/10/1067714610.db2.gz KTFDJXYLZSWACR-AZUAARDMSA-N 1 2 450.624 4.680 20 0 JJADLO CC(C)OCc1noc(C[N@@H+]2CCC[C@H](C[C@H](NC(=O)OC(C)(C)C)C3CCCC3)C2)n1 ZINC001460746967 1067714762 /nfs/dbraw/zinc/71/47/62/1067714762.db2.gz KTFDJXYLZSWACR-QUCCMNQESA-N 1 2 450.624 4.680 20 0 JJADLO CC(C)OCc1noc(C[N@H+]2CCC[C@H](C[C@H](NC(=O)OC(C)(C)C)C3CCCC3)C2)n1 ZINC001460746967 1067714774 /nfs/dbraw/zinc/71/47/74/1067714774.db2.gz KTFDJXYLZSWACR-QUCCMNQESA-N 1 2 450.624 4.680 20 0 JJADLO COC(=O)c1ccc(-c2nc(C[NH2+][C@H]3CCOc4ccc(Br)cc43)cs2)cc1 ZINC001460748513 1067715453 /nfs/dbraw/zinc/71/54/53/1067715453.db2.gz DTWQLJNERWBYGT-SFHVURJKSA-N 1 2 459.365 4.973 20 0 JJADLO CCCCCCN(C(=O)C[N@@H+]1CC[C@@H](C(=O)OC)C[C@H]1C)c1nc(-c2ccccc2)cs1 ZINC001460820288 1067729626 /nfs/dbraw/zinc/72/96/26/1067729626.db2.gz NZZGQASRLVVPDA-TZIWHRDSSA-N 1 2 457.640 4.997 20 0 JJADLO CCCCCCN(C(=O)C[N@H+]1CC[C@@H](C(=O)OC)C[C@H]1C)c1nc(-c2ccccc2)cs1 ZINC001460820288 1067729631 /nfs/dbraw/zinc/72/96/31/1067729631.db2.gz NZZGQASRLVVPDA-TZIWHRDSSA-N 1 2 457.640 4.997 20 0 JJADLO CC(C)(C)OC(=O)NC1CCC2(CC1)C[N@H+](C[C@@H](O)c1ccc(Cl)c(Cl)c1)CCO2 ZINC001460842122 1067732754 /nfs/dbraw/zinc/73/27/54/1067732754.db2.gz KBBPELIMCANORR-COFLGROHSA-N 1 2 459.414 4.565 20 0 JJADLO CC(C)(C)OC(=O)NC1CCC2(CC1)C[N@@H+](C[C@@H](O)c1ccc(Cl)c(Cl)c1)CCO2 ZINC001460842122 1067732761 /nfs/dbraw/zinc/73/27/61/1067732761.db2.gz KBBPELIMCANORR-COFLGROHSA-N 1 2 459.414 4.565 20 0 JJADLO CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)C[N@@H+]2CC[C@H](c3cnccn3)C2)cc1 ZINC001460857602 1067736020 /nfs/dbraw/zinc/73/60/20/1067736020.db2.gz LUMAHTWQZNWHQQ-KRWDZBQOSA-N 1 2 452.942 4.749 20 0 JJADLO CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)C[N@H+]2CC[C@H](c3cnccn3)C2)cc1 ZINC001460857602 1067736025 /nfs/dbraw/zinc/73/60/25/1067736025.db2.gz LUMAHTWQZNWHQQ-KRWDZBQOSA-N 1 2 452.942 4.749 20 0 JJADLO C[C@H](C(=O)N1CCSc2ccccc21)[N@@H+]1CCc2c(cccc2NC(=O)OC(C)(C)C)C1 ZINC001460885693 1067742673 /nfs/dbraw/zinc/74/26/73/1067742673.db2.gz HCHQRSCMBYFUNB-QGZVFWFLSA-N 1 2 453.608 4.919 20 0 JJADLO C[C@H](C(=O)N1CCSc2ccccc21)[N@H+]1CCc2c(cccc2NC(=O)OC(C)(C)C)C1 ZINC001460885693 1067742675 /nfs/dbraw/zinc/74/26/75/1067742675.db2.gz HCHQRSCMBYFUNB-QGZVFWFLSA-N 1 2 453.608 4.919 20 0 JJADLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH+]2CCC3(CN(C(=O)OC(C)(C)C)[C@@H]3C(C)C)CC2)c1C ZINC001460938354 1067750715 /nfs/dbraw/zinc/75/07/15/1067750715.db2.gz SFWCZEIEAPSIHE-FDDCHVKYSA-N 1 2 459.631 4.763 20 0 JJADLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH+]2CCC3(CN(C(=O)OC(C)(C)C)[C@H]3C(C)C)CC2)c1C ZINC001460938357 1067751247 /nfs/dbraw/zinc/75/12/47/1067751247.db2.gz SFWCZEIEAPSIHE-JPYJTQIMSA-N 1 2 459.631 4.763 20 0 JJADLO COc1cc([C@H](C)[NH2+]Cc2ncc(I)s2)ccc1OC1CCCC1 ZINC001461056400 1067771695 /nfs/dbraw/zinc/77/16/95/1067771695.db2.gz AKUKDIZXLGLBLS-LBPRGKRZSA-N 1 2 458.365 4.929 20 0 JJADLO COc1cc(C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)cc(Br)c1OCc1ccccc1 ZINC001461566841 1067890462 /nfs/dbraw/zinc/89/04/62/1067890462.db2.gz VZODQVJJCKBGKG-UHFFFAOYSA-N 1 2 459.388 4.742 20 0 JJADLO O=C(COc1ccc(C(=O)Nc2ccc3[nH+]ccn3c2)cc1)Nc1cccc(C(F)(F)F)c1 ZINC001461726453 1067926711 /nfs/dbraw/zinc/92/67/11/1067926711.db2.gz GIEPOTXPJKETGB-UHFFFAOYSA-N 1 2 454.408 4.623 20 0 JJADLO COC(=O)c1cc(Br)oc1C[N@@H+]1CCC[C@@H](Cc2cc(Cl)ccc2OC)C1 ZINC001461866593 1067950616 /nfs/dbraw/zinc/95/06/16/1067950616.db2.gz NDXZADGWHFTTQX-ZDUSSCGKSA-N 1 2 456.764 4.945 20 0 JJADLO COC(=O)c1cc(Br)oc1C[N@H+]1CCC[C@@H](Cc2cc(Cl)ccc2OC)C1 ZINC001461866593 1067950621 /nfs/dbraw/zinc/95/06/21/1067950621.db2.gz NDXZADGWHFTTQX-ZDUSSCGKSA-N 1 2 456.764 4.945 20 0 JJADLO CC(C)(C)OC(=O)NCCCOC1CC[NH+](Cc2cccc(F)c2OC(F)(F)F)CC1 ZINC001461890610 1067955389 /nfs/dbraw/zinc/95/53/89/1067955389.db2.gz VHGKNPZITZONEZ-UHFFFAOYSA-N 1 2 450.473 4.620 20 0 JJADLO C/C(=C/c1ccccc1OC(F)F)C[NH+]1CCN(C(=O)[C@@H](C)Oc2ccc(C)cc2C)CC1 ZINC001461932835 1067963754 /nfs/dbraw/zinc/96/37/54/1067963754.db2.gz FCLNMHAADKSYGS-PUBZQGQPSA-N 1 2 458.549 4.920 20 0 JJADLO C[C@H]1C[NH+](Cc2c[nH]nc2-c2ccc(Br)s2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001461985649 1067975618 /nfs/dbraw/zinc/97/56/18/1067975618.db2.gz FHRJRKOJVFBXQY-STQMWFEESA-N 1 2 455.422 4.730 20 0 JJADLO COC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(OC)cc2Br)c(Br)c1 ZINC001461995177 1067976507 /nfs/dbraw/zinc/97/65/07/1067976507.db2.gz UUTGYFNURBFAAB-LLVKDONJSA-N 1 2 457.162 4.858 20 0 JJADLO Cn1nc(C(=O)OC(C)(C)C)cc1C[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC001462035635 1067985701 /nfs/dbraw/zinc/98/57/01/1067985701.db2.gz REQUXRAXKQDUBL-UHFFFAOYSA-N 1 2 457.578 4.860 20 0 JJADLO Cn1nc(C(=O)OC(C)(C)C)cc1C[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC001462035635 1067985708 /nfs/dbraw/zinc/98/57/08/1067985708.db2.gz REQUXRAXKQDUBL-UHFFFAOYSA-N 1 2 457.578 4.860 20 0 JJADLO Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCC[N@@H+]1C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC001462066802 1067995211 /nfs/dbraw/zinc/99/52/11/1067995211.db2.gz BHCVORJDQZDEJL-BKMJKUGQSA-N 1 2 454.615 4.510 20 0 JJADLO Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCC[N@H+]1C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC001462066802 1067995218 /nfs/dbraw/zinc/99/52/18/1067995218.db2.gz BHCVORJDQZDEJL-BKMJKUGQSA-N 1 2 454.615 4.510 20 0 JJADLO COc1ccccc1COC1CC[NH+](Cc2nc(N(C)C)n(-c3ccccc3)c2Cl)CC1 ZINC001462069335 1067995808 /nfs/dbraw/zinc/99/58/08/1067995808.db2.gz ROWIUFDKJAQXPR-UHFFFAOYSA-N 1 2 455.002 4.782 20 0 JJADLO O=C(COc1ccc(Cl)cc1Cl)N1CC[NH+](Cc2cc3c(cccc3O)s2)CC1 ZINC001462108033 1068005377 /nfs/dbraw/zinc/00/53/77/1068005377.db2.gz XEZRJMZBCBKASB-UHFFFAOYSA-N 1 2 451.375 4.637 20 0 JJADLO COCO[C@H](C)c1cc(F)c(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)cc1Br ZINC001462127686 1068011195 /nfs/dbraw/zinc/01/11/95/1068011195.db2.gz NXNHDCGXLDFVSE-QRQCRPRQSA-N 1 2 450.348 4.901 20 0 JJADLO COCO[C@H](C)c1cc(F)c(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)cc1Br ZINC001462127686 1068011206 /nfs/dbraw/zinc/01/12/06/1068011206.db2.gz NXNHDCGXLDFVSE-QRQCRPRQSA-N 1 2 450.348 4.901 20 0 JJADLO CCc1ccccc1O[C@H](C(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1)c1ccccc1 ZINC001462239816 1068036058 /nfs/dbraw/zinc/03/60/58/1068036058.db2.gz XSBIXUQCYXCCCX-XCZPVHLTSA-N 1 2 458.602 4.695 20 0 JJADLO CCc1ccccc1O[C@H](C(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1)c1ccccc1 ZINC001462239816 1068036069 /nfs/dbraw/zinc/03/60/69/1068036069.db2.gz XSBIXUQCYXCCCX-XCZPVHLTSA-N 1 2 458.602 4.695 20 0 JJADLO Cc1ccc(CCNc2ccccc2OCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1C ZINC001462310282 1068048758 /nfs/dbraw/zinc/04/87/58/1068048758.db2.gz OJOKHLFCWPWQPT-UHFFFAOYSA-N 1 2 453.627 4.890 20 0 JJADLO FC(F)(F)c1ccc(CC2C[NH+](Cc3cn(-c4ccccc4Br)nn3)C2)cc1 ZINC001462315968 1068050148 /nfs/dbraw/zinc/05/01/48/1068050148.db2.gz PMGOWXFQUJXCFT-UHFFFAOYSA-N 1 2 451.290 4.723 20 0 JJADLO CC(C)(C)OC(=O)N1CC(c2cc(C[NH2+][C@H](CCO)c3cc(Cl)cc(Cl)c3)on2)C1 ZINC001462476997 1068081705 /nfs/dbraw/zinc/08/17/05/1068081705.db2.gz CNOGUBIDYKLQIL-GOSISDBHSA-N 1 2 456.370 4.529 20 0 JJADLO Cc1noc(CSc2ccccc2C(=O)NCCN(Cc2ccccc2)c2cccc[nH+]2)n1 ZINC001462636717 1068120873 /nfs/dbraw/zinc/12/08/73/1068120873.db2.gz HVYLSXOUHZHZNY-UHFFFAOYSA-N 1 2 459.575 4.502 20 0 JJADLO CCOc1cc(C[NH2+]Cc2csc(NC(=O)OC(C)(C)C)n2)cc(Br)c1O ZINC001462645254 1068122923 /nfs/dbraw/zinc/12/29/23/1068122923.db2.gz ZAYYMTIZPPKKQE-UHFFFAOYSA-N 1 2 458.378 4.647 20 0 JJADLO COc1ccc([C@@H](CNS(=O)(=O)c2cc3cc(Cl)ccc3s2)[NH+]2CCCC2)cc1 ZINC001462730623 1068146542 /nfs/dbraw/zinc/14/65/42/1068146542.db2.gz HVHOQOSRQJHEAU-LJQANCHMSA-N 1 2 451.013 4.679 20 0 JJADLO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1S(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1 ZINC001463343013 1068363593 /nfs/dbraw/zinc/36/35/93/1068363593.db2.gz PAFZRAKJQNLEDP-ROUUACIJSA-N 1 2 457.665 4.877 20 0 JJADLO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1S(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1 ZINC001463343013 1068363605 /nfs/dbraw/zinc/36/36/05/1068363605.db2.gz PAFZRAKJQNLEDP-ROUUACIJSA-N 1 2 457.665 4.877 20 0 JJADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N2CCCCC[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC001463639891 1068478341 /nfs/dbraw/zinc/47/83/41/1068478341.db2.gz JPXOUOZZKTYREZ-NRFANRHFSA-N 1 2 452.542 4.999 20 0 JJADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N2CCCCC[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC001463639891 1068478347 /nfs/dbraw/zinc/47/83/47/1068478347.db2.gz JPXOUOZZKTYREZ-NRFANRHFSA-N 1 2 452.542 4.999 20 0 JJADLO Cn1nc(C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4Cl)s3)CC2)cc1C(F)F ZINC001463736738 1068507866 /nfs/dbraw/zinc/50/78/66/1068507866.db2.gz MQEJCDSTUARNIQ-UHFFFAOYSA-N 1 2 450.942 4.698 20 0 JJADLO COc1ccccc1/C=C(\C(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1)c1ccccc1 ZINC001463737157 1068508109 /nfs/dbraw/zinc/50/81/09/1068508109.db2.gz PILGQDLAZCDIII-QOMWVZHYSA-N 1 2 456.586 4.897 20 0 JJADLO C[C@](O)(C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1)c1ccc(F)cc1 ZINC001463738973 1068508784 /nfs/dbraw/zinc/50/87/84/1068508784.db2.gz XPZHEUABQDQJRX-XMMPIXPASA-N 1 2 458.986 4.760 20 0 JJADLO Cc1c(Br)cccc1CC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001463804236 1068531306 /nfs/dbraw/zinc/53/13/06/1068531306.db2.gz CEHYFKMJZGIQMK-UHFFFAOYSA-N 1 2 455.318 4.663 20 0 JJADLO O=C(NCc1ccco1)Nc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2cccc(F)c2)cc1 ZINC001463930599 1068568754 /nfs/dbraw/zinc/56/87/54/1068568754.db2.gz YAMYRIVTHPVGKL-QHCPKHFHSA-N 1 2 450.514 4.734 20 0 JJADLO O=C(NCc1ccco1)Nc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccc(F)c2)cc1 ZINC001463930599 1068568761 /nfs/dbraw/zinc/56/87/61/1068568761.db2.gz YAMYRIVTHPVGKL-QHCPKHFHSA-N 1 2 450.514 4.734 20 0 JJADLO O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1cnc(OCC2CC2)c(Cl)c1 ZINC001464127063 1068625521 /nfs/dbraw/zinc/62/55/21/1068625521.db2.gz GDXLRZGRTHFNGG-IBGZPJMESA-N 1 2 452.357 4.883 20 0 JJADLO CC(C)(C)OC(=O)NCCCSCCC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC001464220439 1068663034 /nfs/dbraw/zinc/66/30/34/1068663034.db2.gz KXBGFLFQFDPLFD-UHFFFAOYSA-N 1 2 458.628 4.863 20 0 JJADLO Cc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)cc1 ZINC001464374026 1068722494 /nfs/dbraw/zinc/72/24/94/1068722494.db2.gz CRBGMOYOPBHCFN-YLJYHZDGSA-N 1 2 458.628 4.888 20 0 JJADLO Cc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)cc1 ZINC001464374026 1068722512 /nfs/dbraw/zinc/72/25/12/1068722512.db2.gz CRBGMOYOPBHCFN-YLJYHZDGSA-N 1 2 458.628 4.888 20 0 JJADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc(NC(=O)OCC(F)(F)F)cc3)n2)C1 ZINC001464381612 1068725289 /nfs/dbraw/zinc/72/52/89/1068725289.db2.gz LEZHLVRIELVSPC-ZDUSSCGKSA-N 1 2 456.490 4.738 20 0 JJADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc(NC(=O)OCC(F)(F)F)cc3)n2)C1 ZINC001464381612 1068725298 /nfs/dbraw/zinc/72/52/98/1068725298.db2.gz LEZHLVRIELVSPC-ZDUSSCGKSA-N 1 2 456.490 4.738 20 0 JJADLO CC(C)(C)OC(=O)N1CCC(CCCCC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC001464440223 1068746752 /nfs/dbraw/zinc/74/67/52/1068746752.db2.gz IRPUVKMPTCGRQR-UHFFFAOYSA-N 1 2 458.578 4.835 20 0 JJADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)C1(c2ccc(Cl)cc2)CCCCC1 ZINC001464484035 1068762938 /nfs/dbraw/zinc/76/29/38/1068762938.db2.gz GJNHGZPQUOJYNJ-UHFFFAOYSA-N 1 2 457.014 4.569 20 0 JJADLO CCCc1ccc(Cl)c(S(=O)(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)c1 ZINC001464513129 1068770186 /nfs/dbraw/zinc/77/01/86/1068770186.db2.gz PTIGFDNKAVDTDU-IEBWSBKVSA-N 1 2 460.949 4.634 20 0 JJADLO CCCc1ccc(Cl)c(S(=O)(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)c1 ZINC001464513129 1068770196 /nfs/dbraw/zinc/77/01/96/1068770196.db2.gz PTIGFDNKAVDTDU-IEBWSBKVSA-N 1 2 460.949 4.634 20 0 JJADLO CCON1CCC(CC(=O)N2CC[NH+]([C@H](c3ccccc3)c3ccccc3Cl)CC2)CC1 ZINC001464715925 1068836140 /nfs/dbraw/zinc/83/61/40/1068836140.db2.gz PAVFABNZCJRZSQ-AREMUKBSSA-N 1 2 456.030 4.627 20 0 JJADLO FC(F)(c1cc(Cl)cnc1Cl)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164415815 718889889 /nfs/dbraw/zinc/88/98/89/718889889.db2.gz BVRNJBMAUJJFKS-CYBMUJFWSA-N 1 2 478.124 4.921 20 0 JJADLO Cc1cc(Cl)nc(C(F)(F)N2CCO[C@@H](c3[nH+]cn4c3cccc4Br)C2)c1 ZINC001164417314 718890431 /nfs/dbraw/zinc/89/04/31/718890431.db2.gz JLQBNWROFPBZFV-CYBMUJFWSA-N 1 2 457.706 4.576 20 0 JJADLO FC(F)(c1cc(Cl)nc2c1CCC2)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164415739 718891036 /nfs/dbraw/zinc/89/10/36/718891036.db2.gz AELMUWWAUKEXOF-INIZCTEOSA-N 1 2 483.744 4.757 20 0 JJADLO FC(F)(c1cc(C2CC2)nnc1Cl)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164417095 718891211 /nfs/dbraw/zinc/89/12/11/718891211.db2.gz HRESWFMDOYBXPQ-OAHLLOKOSA-N 1 2 484.732 4.540 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)nc3ccc(F)cc31)CC2 ZINC001164664102 719348526 /nfs/dbraw/zinc/34/85/26/719348526.db2.gz RETBEALUFMVYOK-UHFFFAOYSA-N 1 2 456.569 4.772 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)nc3ccc(F)cc31)CC2 ZINC001164664102 719348528 /nfs/dbraw/zinc/34/85/28/719348528.db2.gz RETBEALUFMVYOK-UHFFFAOYSA-N 1 2 456.569 4.772 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cnc(Cl)nc1SC)CC2 ZINC001164663826 719350313 /nfs/dbraw/zinc/35/03/13/719350313.db2.gz NCLBMWSSGLKDCI-UHFFFAOYSA-N 1 2 455.031 4.547 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cnc(Cl)nc1SC)CC2 ZINC001164663826 719350315 /nfs/dbraw/zinc/35/03/15/719350315.db2.gz NCLBMWSSGLKDCI-UHFFFAOYSA-N 1 2 455.031 4.547 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc3cc(OC)c(OC)cc3n1)CC2 ZINC001164659525 719351793 /nfs/dbraw/zinc/35/17/93/719351793.db2.gz QOEGGARUZBWOMI-UHFFFAOYSA-N 1 2 483.616 4.947 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc3cc(OC)c(OC)cc3n1)CC2 ZINC001164659525 719351796 /nfs/dbraw/zinc/35/17/96/719351796.db2.gz QOEGGARUZBWOMI-UHFFFAOYSA-N 1 2 483.616 4.947 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(-c3ccccc3)ncn1)CC2 ZINC001164660897 719353875 /nfs/dbraw/zinc/35/38/75/719353875.db2.gz ZLVIUOKMSDTXOW-UHFFFAOYSA-N 1 2 450.590 4.838 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(-c3ccccc3)ncn1)CC2 ZINC001164660897 719353876 /nfs/dbraw/zinc/35/38/76/719353876.db2.gz ZLVIUOKMSDTXOW-UHFFFAOYSA-N 1 2 450.590 4.838 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3c(C)cc(OC)cc31)CC2 ZINC001164663096 719356803 /nfs/dbraw/zinc/35/68/03/719356803.db2.gz CBSYUCOTCDSBOD-UHFFFAOYSA-N 1 2 468.605 4.642 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3c(C)cc(OC)cc31)CC2 ZINC001164663096 719356806 /nfs/dbraw/zinc/35/68/06/719356806.db2.gz CBSYUCOTCDSBOD-UHFFFAOYSA-N 1 2 468.605 4.642 20 0 JJADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2cc(-c4ccnc(Cl)c4)ccn2)CC3)cc1 ZINC001164674376 719500694 /nfs/dbraw/zinc/50/06/94/719500694.db2.gz VRPPANQBGZEJBO-UHFFFAOYSA-N 1 2 452.961 4.808 20 0 JJADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2cc(-c4ccnc(Cl)c4)ccn2)CC3)cc1 ZINC001164674376 719500702 /nfs/dbraw/zinc/50/07/02/719500702.db2.gz VRPPANQBGZEJBO-UHFFFAOYSA-N 1 2 452.961 4.808 20 0 JJADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2ccc(-c4ccccc4Cl)nn2)CC3)cc1 ZINC001164673355 719515043 /nfs/dbraw/zinc/51/50/43/719515043.db2.gz PXOBOCJWJFQEQN-UHFFFAOYSA-N 1 2 452.961 4.808 20 0 JJADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2ccc(-c4ccccc4Cl)nn2)CC3)cc1 ZINC001164673355 719515051 /nfs/dbraw/zinc/51/50/51/719515051.db2.gz PXOBOCJWJFQEQN-UHFFFAOYSA-N 1 2 452.961 4.808 20 0 JJADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nnc(Cl)c4ccc(Cl)cc42)CC3)cc1 ZINC001164679161 719529005 /nfs/dbraw/zinc/52/90/05/719529005.db2.gz UQORXHUQNYDCAY-UHFFFAOYSA-N 1 2 461.368 4.947 20 0 JJADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nnc(Cl)c4ccc(Cl)cc42)CC3)cc1 ZINC001164679161 719529010 /nfs/dbraw/zinc/52/90/10/719529010.db2.gz UQORXHUQNYDCAY-UHFFFAOYSA-N 1 2 461.368 4.947 20 0 JJADLO Cc1cc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc(-c2ccc(Cl)nc2)n1 ZINC001164679066 719529025 /nfs/dbraw/zinc/52/90/25/719529025.db2.gz RCUPXFVGPCOQFQ-UHFFFAOYSA-N 1 2 467.976 4.511 20 0 JJADLO Cc1cc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc(-c2ccc(Cl)nc2)n1 ZINC001164679066 719529032 /nfs/dbraw/zinc/52/90/32/719529032.db2.gz RCUPXFVGPCOQFQ-UHFFFAOYSA-N 1 2 467.976 4.511 20 0 JJADLO COc1cccc(Oc2nc(Cl)ncc2N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c1 ZINC001164677872 719532419 /nfs/dbraw/zinc/53/24/19/719532419.db2.gz HTDQNBCDDFCRES-UHFFFAOYSA-N 1 2 498.986 4.941 20 0 JJADLO COc1cccc(Oc2nc(Cl)ncc2N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c1 ZINC001164677872 719532427 /nfs/dbraw/zinc/53/24/27/719532427.db2.gz HTDQNBCDDFCRES-UHFFFAOYSA-N 1 2 498.986 4.941 20 0 JJADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cnc(Cl)c(-c2ccco2)c1 ZINC001164724966 720318491 /nfs/dbraw/zinc/31/84/91/720318491.db2.gz UBLVDAYDAKFKLD-GOSISDBHSA-N 1 2 463.916 4.557 20 0 JJADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1cnc(Cl)c(C3CCCCC3)c1)C2 ZINC001164859354 720896765 /nfs/dbraw/zinc/89/67/65/720896765.db2.gz PAXOUQLZMLQYHZ-UHFFFAOYSA-N 1 2 488.970 4.539 20 0 JJADLO FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164759269 720973503 /nfs/dbraw/zinc/97/35/03/720973503.db2.gz ZKLRBUFCHINCES-AWEZNQCLSA-N 1 2 468.335 4.741 20 0 JJADLO FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164756779 720973963 /nfs/dbraw/zinc/97/39/63/720973963.db2.gz KXMJXMIZYMVMSV-KRWDZBQOSA-N 1 2 459.928 4.601 20 0 JJADLO FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164758919 720975524 /nfs/dbraw/zinc/97/55/24/720975524.db2.gz WWUGKOSVNWRAKX-AWEZNQCLSA-N 1 2 468.335 4.741 20 0 JJADLO FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164758529 720978465 /nfs/dbraw/zinc/97/84/65/720978465.db2.gz VXQCLQYRROACPG-AWEZNQCLSA-N 1 2 468.335 4.741 20 0 JJADLO FC(F)(c1cc(-c2cccs2)nnc1Cl)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164755568 720980745 /nfs/dbraw/zinc/98/07/45/720980745.db2.gz ARSYGDIEGUPOKS-OAHLLOKOSA-N 1 2 465.957 4.663 20 0 JJADLO FC(F)(c1ccc2ccc(Cl)nc2c1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164767071 721273457 /nfs/dbraw/zinc/27/34/57/721273457.db2.gz FIQCLZZLWYPVID-INIZCTEOSA-N 1 2 455.896 4.740 20 0 JJADLO FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164767097 721274130 /nfs/dbraw/zinc/27/41/30/721274130.db2.gz GCIOBFCLLUMZGU-CQSZACIVSA-N 1 2 491.329 4.788 20 0 JJADLO FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164766331 721275305 /nfs/dbraw/zinc/27/53/05/721275305.db2.gz DLPVIRONPYUVOB-KRWDZBQOSA-N 1 2 482.922 4.649 20 0 JJADLO Cc1cccc(-c2cc(C(F)(F)N3Cc4c[nH+]cn4C[C@@H](COc4cccnc4)C3)c(Cl)nn2)c1 ZINC001164770730 721276476 /nfs/dbraw/zinc/27/64/76/721276476.db2.gz YHNXFUUFEXVSFF-GOSISDBHSA-N 1 2 496.949 4.957 20 0 JJADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)nc(-c3ccc(-c4ccccc4)cc3)n1)C2 ZINC001165009832 721704592 /nfs/dbraw/zinc/70/45/92/721704592.db2.gz FEYURTFQMDPMCL-UHFFFAOYSA-N 1 2 489.027 4.701 20 0 JJADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)nc(-c3ccc(-c4ccccc4)cc3)n1)C2 ZINC001165009832 721704600 /nfs/dbraw/zinc/70/46/00/721704600.db2.gz FEYURTFQMDPMCL-UHFFFAOYSA-N 1 2 489.027 4.701 20 0 JJADLO COc1ccc(-c2nc3ccc(Cl)cc3c(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)n2)cc1 ZINC001165009522 721706726 /nfs/dbraw/zinc/70/67/26/721706726.db2.gz ADWOIMGZLKXULA-UHFFFAOYSA-N 1 2 492.027 4.801 20 0 JJADLO COc1ccc(-c2nc3ccc(Cl)cc3c(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)n2)cc1 ZINC001165009522 721706728 /nfs/dbraw/zinc/70/67/28/721706728.db2.gz ADWOIMGZLKXULA-UHFFFAOYSA-N 1 2 492.027 4.801 20 0 JJADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ccc3cc(OCc4ccccc4)ccc3n1)C2 ZINC001165009184 721707619 /nfs/dbraw/zinc/70/76/19/721707619.db2.gz REPSJHOAGNXQMF-UHFFFAOYSA-N 1 2 456.594 4.656 20 0 JJADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ccc3cc(OCc4ccccc4)ccc3n1)C2 ZINC001165009184 721707625 /nfs/dbraw/zinc/70/76/25/721707625.db2.gz REPSJHOAGNXQMF-UHFFFAOYSA-N 1 2 456.594 4.656 20 0 JJADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1cc(-c3ccc(Cl)nc3)ccc1C1OCCCO1)C2 ZINC001165008176 721710354 /nfs/dbraw/zinc/71/03/54/721710354.db2.gz CCGGCXJOVISRQH-UHFFFAOYSA-N 1 2 497.043 4.680 20 0 JJADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1cc(-c3ccc(Cl)nc3)ccc1C1OCCCO1)C2 ZINC001165008176 721710362 /nfs/dbraw/zinc/71/03/62/721710362.db2.gz CCGGCXJOVISRQH-UHFFFAOYSA-N 1 2 497.043 4.680 20 0 JJADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc3ccc(Cl)cc3c(-c3ccccc3)n1)C2 ZINC001165008246 721713211 /nfs/dbraw/zinc/71/32/11/721713211.db2.gz DCSVDIYMQPDUGE-UHFFFAOYSA-N 1 2 462.001 4.792 20 0 JJADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc3ccc(Cl)cc3c(-c3ccccc3)n1)C2 ZINC001165008246 721713218 /nfs/dbraw/zinc/71/32/18/721713218.db2.gz DCSVDIYMQPDUGE-UHFFFAOYSA-N 1 2 462.001 4.792 20 0 JJADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1cc(-c3ccccc3)nc(-c3cccs3)n1)C2 ZINC001165009279 721717114 /nfs/dbraw/zinc/71/71/14/721717114.db2.gz RZVQSPKBXJNBCF-UHFFFAOYSA-N 1 2 459.623 4.714 20 0 JJADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1cc(-c3ccccc3)nc(-c3cccs3)n1)C2 ZINC001165009279 721717123 /nfs/dbraw/zinc/71/71/23/721717123.db2.gz RZVQSPKBXJNBCF-UHFFFAOYSA-N 1 2 459.623 4.714 20 0 JJADLO Cc1cc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001165010962 721717824 /nfs/dbraw/zinc/71/78/24/721717824.db2.gz LLEDAYJHDPQBHM-UHFFFAOYSA-N 1 2 467.621 4.961 20 0 JJADLO Cc1cc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001165010962 721717832 /nfs/dbraw/zinc/71/78/32/721717832.db2.gz LLEDAYJHDPQBHM-UHFFFAOYSA-N 1 2 467.621 4.961 20 0 JJADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2cnc(Cl)nc2Oc2cccc(Cl)c2)CC1 ZINC001164918098 721821101 /nfs/dbraw/zinc/82/11/01/721821101.db2.gz BJFBQFVBAHCVBP-UHFFFAOYSA-N 1 2 459.381 4.522 20 0 JJADLO CCC(CC)NC(=O)c1nnc(N2CCC(C)(C)CC2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001545865878 1064274799 /nfs/dbraw/zinc/27/47/99/1064274799.db2.gz OELCXILLVKBZTB-UHFFFAOYSA-N 1 2 481.689 4.647 20 0 JJADLO CC(C)[C@H]1CCCN1c1nnc(CSc2ccc(Cl)cc2)n1CC[N@@H+]1CCOCC1(C)C ZINC001359737757 1064299339 /nfs/dbraw/zinc/29/93/39/1064299339.db2.gz FPNDFRYATCYAIE-OAQYLSRUSA-N 1 2 478.106 4.959 20 0 JJADLO CC(C)[C@H]1CCCN1c1nnc(CSc2ccc(Cl)cc2)n1CC[N@H+]1CCOCC1(C)C ZINC001359737757 1064299350 /nfs/dbraw/zinc/29/93/50/1064299350.db2.gz FPNDFRYATCYAIE-OAQYLSRUSA-N 1 2 478.106 4.959 20 0 JJADLO CC(C)[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001359739902 1064308891 /nfs/dbraw/zinc/30/88/91/1064308891.db2.gz IGIAFQVLZFMYEY-GOSISDBHSA-N 1 2 469.431 4.699 20 0 JJADLO CC(C)(C)OC(=O)NCC[N@H+](CC(=O)N1CC(C)(C)[C@@H]1c1ccccc1)Cc1ccccc1 ZINC001434874754 1064309148 /nfs/dbraw/zinc/30/91/48/1064309148.db2.gz DGCFNLOLMZFBEN-DEOSSOPVSA-N 1 2 451.611 4.623 20 0 JJADLO CC(C)(C)OC(=O)NCC[N@@H+](CC(=O)N1CC(C)(C)[C@@H]1c1ccccc1)Cc1ccccc1 ZINC001434874754 1064309163 /nfs/dbraw/zinc/30/91/63/1064309163.db2.gz DGCFNLOLMZFBEN-DEOSSOPVSA-N 1 2 451.611 4.623 20 0 JJADLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)CCOc1cc(Cl)ccc1Cl ZINC001435012342 1064427911 /nfs/dbraw/zinc/42/79/11/1064427911.db2.gz KZNOVYAWJSBRJM-GOSISDBHSA-N 1 2 451.394 4.512 20 0 JJADLO CC[C@H](C(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC001435013240 1064429729 /nfs/dbraw/zinc/42/97/29/1064429729.db2.gz KUYNHMQNCXYWRB-XXBNENTESA-N 1 2 459.428 4.692 20 0 JJADLO C[C@H](c1cccc(NC(=O)c2cc(Br)cc(N3CCCC3)c2)c1)[NH+]1CCOCC1 ZINC001435096035 1064511659 /nfs/dbraw/zinc/51/16/59/1064511659.db2.gz BGEYJPITJJXBPW-QGZVFWFLSA-N 1 2 458.400 4.695 20 0 JJADLO CC(C)C[C@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001359883608 1064577767 /nfs/dbraw/zinc/57/77/67/1064577767.db2.gz JJNFXPAQDRQABY-XXBNENTESA-N 1 2 468.596 4.717 20 0 JJADLO Cc1c(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)cnn1-c1cccc(C(F)(F)F)c1 ZINC001435216037 1064596748 /nfs/dbraw/zinc/59/67/48/1064596748.db2.gz OVIHPVMJTGKHNN-UHFFFAOYSA-N 1 2 458.484 4.592 20 0 JJADLO CS(C)(=O)=Nc1ccccc1C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC001359897413 1064599949 /nfs/dbraw/zinc/59/99/49/1064599949.db2.gz UDHODESNNVGFQO-UHFFFAOYSA-N 1 2 458.587 4.888 20 0 JJADLO CC(C)CCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001359908386 1064625269 /nfs/dbraw/zinc/62/52/69/1064625269.db2.gz YXLCHOVJDYASCN-QFIPXVFZSA-N 1 2 497.688 4.550 20 0 JJADLO CC(C)CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C)C1CC1 ZINC001359924665 1064655872 /nfs/dbraw/zinc/65/58/72/1064655872.db2.gz WAWFLSKGWGJUMQ-GCJKJVERSA-N 1 2 461.601 4.768 20 0 JJADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1C[C@@]1(C)c1cccc(Br)c1 ZINC001435298492 1064674524 /nfs/dbraw/zinc/67/45/24/1064674524.db2.gz XDZYAJAMIPCCCC-URXFXBBRSA-N 1 2 456.428 4.887 20 0 JJADLO CC(C)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001359944613 1064691577 /nfs/dbraw/zinc/69/15/77/1064691577.db2.gz WYACBNXAVZGCQE-UHFFFAOYSA-N 1 2 462.642 4.922 20 0 JJADLO C[C@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001435391939 1064736258 /nfs/dbraw/zinc/73/62/58/1064736258.db2.gz GZPHIFKRJHFNCU-IERDGZPVSA-N 1 2 459.377 4.639 20 0 JJADLO C[C@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001435391939 1064736274 /nfs/dbraw/zinc/73/62/74/1064736274.db2.gz GZPHIFKRJHFNCU-IERDGZPVSA-N 1 2 459.377 4.639 20 0 JJADLO CC(C)(C)OC(=O)N1CCc2c1cccc2NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC001435507339 1064794624 /nfs/dbraw/zinc/79/46/24/1064794624.db2.gz LOHUIJOJIOWOKK-JOCHJYFZSA-N 1 2 453.608 4.713 20 0 JJADLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(OCc2ccccc2)cn1 ZINC001435627277 1064889067 /nfs/dbraw/zinc/88/90/67/1064889067.db2.gz XPKPLPHZDVLUGW-ZBLYBZFDSA-N 1 2 458.606 4.737 20 0 JJADLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(OCc2ccccc2)cn1 ZINC001435627277 1064889082 /nfs/dbraw/zinc/88/90/82/1064889082.db2.gz XPKPLPHZDVLUGW-ZBLYBZFDSA-N 1 2 458.606 4.737 20 0 JJADLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C)c(Br)s1 ZINC001435626922 1064889184 /nfs/dbraw/zinc/88/91/84/1064889184.db2.gz VWMNQSIPJLPTNP-KBXCAEBGSA-N 1 2 450.446 4.895 20 0 JJADLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C)c(Br)s1 ZINC001435626922 1064889193 /nfs/dbraw/zinc/88/91/93/1064889193.db2.gz VWMNQSIPJLPTNP-KBXCAEBGSA-N 1 2 450.446 4.895 20 0 JJADLO CC(C)CO[C@H]1CCN(c2nnc(CC(C)C)n2Cc2ccc(N3CCCCCC3)[nH+]c2)C1 ZINC001360063581 1064904136 /nfs/dbraw/zinc/90/41/36/1064904136.db2.gz QTIQAWWDHOTBMH-QHCPKHFHSA-N 1 2 454.663 4.552 20 0 JJADLO Cc1nc(-c2ccccc2F)sc1C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC001435744181 1064968260 /nfs/dbraw/zinc/96/82/60/1064968260.db2.gz AIKDXHRLERUXDD-PMACEKPBSA-N 1 2 459.974 4.713 20 0 JJADLO Cc1nc(-c2ccccc2F)sc1C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC001435744181 1064968277 /nfs/dbraw/zinc/96/82/77/1064968277.db2.gz AIKDXHRLERUXDD-PMACEKPBSA-N 1 2 459.974 4.713 20 0 JJADLO C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC001435745642 1064969904 /nfs/dbraw/zinc/96/99/04/1064969904.db2.gz FGICDSKFAJXYSE-GQWLDOHISA-N 1 2 454.920 4.726 20 0 JJADLO C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC001435745642 1064969920 /nfs/dbraw/zinc/96/99/20/1064969920.db2.gz FGICDSKFAJXYSE-GQWLDOHISA-N 1 2 454.920 4.726 20 0 JJADLO Cc1cccc(Oc2ccc(C(=O)N[C@H](c3ccc(Cl)cc3)[C@@H]3C[N@H+](C)CCO3)nc2)c1 ZINC001435747556 1064971571 /nfs/dbraw/zinc/97/15/71/1064971571.db2.gz KLDFJVQSFWSYFK-BJKOFHAPSA-N 1 2 451.954 4.637 20 0 JJADLO Cc1cccc(Oc2ccc(C(=O)N[C@H](c3ccc(Cl)cc3)[C@@H]3C[N@@H+](C)CCO3)nc2)c1 ZINC001435747556 1064971585 /nfs/dbraw/zinc/97/15/85/1064971585.db2.gz KLDFJVQSFWSYFK-BJKOFHAPSA-N 1 2 451.954 4.637 20 0 JJADLO Cc1sc(Br)c(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)c1C ZINC001435748804 1064972548 /nfs/dbraw/zinc/97/25/48/1064972548.db2.gz NCDANKVQACLTPS-WBVHZDCISA-N 1 2 457.821 4.583 20 0 JJADLO Cc1sc(Br)c(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)c1C ZINC001435748804 1064972559 /nfs/dbraw/zinc/97/25/59/1064972559.db2.gz NCDANKVQACLTPS-WBVHZDCISA-N 1 2 457.821 4.583 20 0 JJADLO Cc1nc(-c2ccc(C(=O)NCCc3cn4cc(Br)cc(C)c4[nH+]3)cc2)cs1 ZINC001435847159 1065021365 /nfs/dbraw/zinc/02/13/65/1065021365.db2.gz BFLRXBGGJSIOTG-UHFFFAOYSA-N 1 2 455.381 4.810 20 0 JJADLO Cc1cc(Br)cn2cc(CCNC(=O)CCc3ccc(F)c4c3CCCC4)[nH+]c12 ZINC001435847203 1065021612 /nfs/dbraw/zinc/02/16/12/1065021612.db2.gz CTGIHLABROKHJY-UHFFFAOYSA-N 1 2 458.375 4.715 20 0 JJADLO CC(C)N1CC[NH+]([C@@H]2CCN(c3nnc(-c4ccc(Cl)cc4)n3CCCC(F)(F)F)C2)CC1 ZINC001360156090 1065058090 /nfs/dbraw/zinc/05/80/90/1065058090.db2.gz PXCBLYASSRGGMD-HXUWFJFHSA-N 1 2 484.998 4.546 20 0 JJADLO C[C@H](c1cccc(NC(=O)c2cc(CNC(=O)C(C)(C)C)ccc2Cl)c1)[NH+]1CCOCC1 ZINC001360179540 1065067893 /nfs/dbraw/zinc/06/78/93/1065067893.db2.gz NBZDPTBCRINFIA-QGZVFWFLSA-N 1 2 458.002 4.648 20 0 JJADLO C[C@@H](c1cccc(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)c1)[NH+]1CCOCC1 ZINC001360179217 1065067981 /nfs/dbraw/zinc/06/79/81/1065067981.db2.gz ASHSLEBPZZXDOS-WMZHIEFXSA-N 1 2 453.583 4.674 20 0 JJADLO O=C(/C=C/c1ccc(I)o1)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC001436027595 1065122711 /nfs/dbraw/zinc/12/27/11/1065122711.db2.gz KNOTUJPUOINVIP-PKNBQFBNSA-N 1 2 459.287 4.736 20 0 JJADLO CC1CCC(C)(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccc(I)cc2)CC1 ZINC001436048173 1065142618 /nfs/dbraw/zinc/14/26/18/1065142618.db2.gz OTKRTCPFYDERLM-BSLVTKGXSA-N 1 2 454.396 4.588 20 0 JJADLO CC1CCC(C)(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccc(I)cc2)CC1 ZINC001436048173 1065142624 /nfs/dbraw/zinc/14/26/24/1065142624.db2.gz OTKRTCPFYDERLM-BSLVTKGXSA-N 1 2 454.396 4.588 20 0 JJADLO CC(C)OCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001360385900 1065249693 /nfs/dbraw/zinc/24/96/93/1065249693.db2.gz MBXUKNLRXVLQJB-UHFFFAOYSA-N 1 2 475.424 4.789 20 0 JJADLO CCCCc1ccc(N2C[C@H](C(=O)NCc3c(Cl)cccc3-n3cc[nH+]c3)CC2=O)cc1 ZINC001436458213 1065323034 /nfs/dbraw/zinc/32/30/34/1065323034.db2.gz SJKXFGRSSJULCN-LJQANCHMSA-N 1 2 450.970 4.538 20 0 JJADLO CC(C)C[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1ccnc(N2CC[C@H](C)C2)c1 ZINC001436519067 1065340158 /nfs/dbraw/zinc/34/01/58/1065340158.db2.gz AFHMUOXVFLZVKD-RDPSFJRHSA-N 1 2 455.046 4.954 20 0 JJADLO CC(C)C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1ccnc(N2CC[C@H](C)C2)c1 ZINC001436519067 1065340165 /nfs/dbraw/zinc/34/01/65/1065340165.db2.gz AFHMUOXVFLZVKD-RDPSFJRHSA-N 1 2 455.046 4.954 20 0 JJADLO COc1ccc2c(c1)C=C(C(=O)N1CC[N@H+](Cc3ccc(Cl)cc3)C[C@@H]1CC(C)C)CO2 ZINC001436519665 1065340571 /nfs/dbraw/zinc/34/05/71/1065340571.db2.gz DECBOSMXERRKAL-QHCPKHFHSA-N 1 2 454.998 4.884 20 0 JJADLO COc1ccc2c(c1)C=C(C(=O)N1CC[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]1CC(C)C)CO2 ZINC001436519665 1065340585 /nfs/dbraw/zinc/34/05/85/1065340585.db2.gz DECBOSMXERRKAL-QHCPKHFHSA-N 1 2 454.998 4.884 20 0 JJADLO COc1ccc(NC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)cc1NC(=O)C1CCCCC1 ZINC001360502976 1065429862 /nfs/dbraw/zinc/42/98/62/1065429862.db2.gz AVTBOFRRTKWXHL-UHFFFAOYSA-N 1 2 456.493 4.789 20 0 JJADLO CCc1cc(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)c2c(CC(C)(C)C)noc2n1 ZINC001360516314 1065476609 /nfs/dbraw/zinc/47/66/09/1065476609.db2.gz NCUCQRZYBAOQQD-UHFFFAOYSA-N 1 2 450.583 4.767 20 0 JJADLO C[C@@H](CN(C)c1nnc(C(C)(C)C)n1Cc1cc[nH+]c(N2CCCCC2)c1)c1nccs1 ZINC001360519534 1065487505 /nfs/dbraw/zinc/48/75/05/1065487505.db2.gz OTCGAYHZFIDQLT-SFHVURJKSA-N 1 2 453.660 4.706 20 0 JJADLO O=C(c1cc(F)c(Cl)cc1F)N(CCCn1cc[nH+]c1)c1ccc(Br)cn1 ZINC001436988287 1065488695 /nfs/dbraw/zinc/48/86/95/1065488695.db2.gz KXXFPCIISBWQJP-UHFFFAOYSA-N 1 2 455.690 4.709 20 0 JJADLO COc1cccc2c(C(=O)N(CCCn3cc[nH+]c3)c3ccc(Br)cn3)coc21 ZINC001436992935 1065490303 /nfs/dbraw/zinc/49/03/03/1065490303.db2.gz YSYUFBMTGJXNHJ-UHFFFAOYSA-N 1 2 455.312 4.533 20 0 JJADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)NCC1(c2cccc(Br)c2)CCCC1 ZINC001545905335 1065523129 /nfs/dbraw/zinc/52/31/29/1065523129.db2.gz YODSCOANHMJZAO-UHFFFAOYSA-N 1 2 452.396 4.865 20 0 JJADLO C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@@H](C)c1cccs1)[NH+]1CCOCC1 ZINC001360542250 1065531533 /nfs/dbraw/zinc/53/15/33/1065531533.db2.gz ZBIBKFJXOOCDSD-CABCVRRESA-N 1 2 496.500 4.749 20 0 JJADLO CCC(CC)NC(=O)c1nnc(N2CCCCCCC2)n1C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC001545907517 1065567665 /nfs/dbraw/zinc/56/76/65/1065567665.db2.gz KVYHPIWHSMKMIF-FPOVZHCZSA-N 1 2 490.693 4.641 20 0 JJADLO CCC(CC)NC(=O)c1nnc(N2CCCCCCC2)n1C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC001545907517 1065567675 /nfs/dbraw/zinc/56/76/75/1065567675.db2.gz KVYHPIWHSMKMIF-FPOVZHCZSA-N 1 2 490.693 4.641 20 0 JJADLO COc1cccc(C[NH+]2CCN(C(=O)c3ccccc3SCc3csc(C)n3)CC2)c1 ZINC001438145585 1065679592 /nfs/dbraw/zinc/67/95/92/1065679592.db2.gz FTKNGARXMHEYOH-UHFFFAOYSA-N 1 2 453.633 4.710 20 0 JJADLO C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(C(C)(C)C)n2CCc2cn3ccccc3[nH+]2)CC1 ZINC001360638275 1065702097 /nfs/dbraw/zinc/70/20/97/1065702097.db2.gz BDVZUEKBKPEHMJ-IBGZPJMESA-N 1 2 495.672 4.596 20 0 JJADLO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(-c3ccccc3)n2CCCNc2cccc[nH+]2)C1 ZINC001360638956 1065705852 /nfs/dbraw/zinc/70/58/52/1065705852.db2.gz LPGAKNFTSAZLBL-IRLDBZIGSA-N 1 2 491.640 4.582 20 0 JJADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@H](Oc1ccc(Br)cc1)c1ccccc1 ZINC001438581004 1065733995 /nfs/dbraw/zinc/73/39/95/1065733995.db2.gz OEVHXOYPEYIEGY-XZOQPEGZSA-N 1 2 451.364 4.872 20 0 JJADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@H](Oc1ccc(Br)cc1)c1ccccc1 ZINC001438581004 1065734004 /nfs/dbraw/zinc/73/40/04/1065734004.db2.gz OEVHXOYPEYIEGY-XZOQPEGZSA-N 1 2 451.364 4.872 20 0 JJADLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)[C@H](Oc1ccc(Br)cc1)c1ccccc1 ZINC001438581001 1065734063 /nfs/dbraw/zinc/73/40/63/1065734063.db2.gz OEVHXOYPEYIEGY-DHIUTWEWSA-N 1 2 451.364 4.872 20 0 JJADLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)[C@H](Oc1ccc(Br)cc1)c1ccccc1 ZINC001438581001 1065734073 /nfs/dbraw/zinc/73/40/73/1065734073.db2.gz OEVHXOYPEYIEGY-DHIUTWEWSA-N 1 2 451.364 4.872 20 0 JJADLO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(F)(F)CC2)n1CCCNc1cccc[nH+]1 ZINC001360744432 1065781722 /nfs/dbraw/zinc/78/17/22/1065781722.db2.gz UXSSISBSQFWQAT-QGZVFWFLSA-N 1 2 460.504 4.690 20 0 JJADLO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001360745566 1065784949 /nfs/dbraw/zinc/78/49/49/1065784949.db2.gz MUNXVNFYABVNEO-CVDCTZTESA-N 1 2 496.631 4.850 20 0 JJADLO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001360745568 1065785436 /nfs/dbraw/zinc/78/54/36/1065785436.db2.gz MUNXVNFYABVNEO-XXBNENTESA-N 1 2 496.631 4.850 20 0 JJADLO O=C(NCCN(Cc1ccccc1)c1cccc[nH+]1)c1cc(-c2cccc(Cl)c2F)no1 ZINC001439111620 1065788069 /nfs/dbraw/zinc/78/80/69/1065788069.db2.gz QUPMRJVAPUQEAV-UHFFFAOYSA-N 1 2 450.901 4.966 20 0 JJADLO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@H](C(C)(C)C)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001360756471 1065815205 /nfs/dbraw/zinc/81/52/05/1065815205.db2.gz VCTKULPGCNHHLC-AABGKKOBSA-N 1 2 476.065 4.665 20 0 JJADLO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@H](C(C)(C)C)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001360756471 1065815222 /nfs/dbraw/zinc/81/52/22/1065815222.db2.gz VCTKULPGCNHHLC-AABGKKOBSA-N 1 2 476.065 4.665 20 0 JJADLO CC(C)N(Cc1ccco1)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001360756500 1065815323 /nfs/dbraw/zinc/81/53/23/1065815323.db2.gz VOFXFOVFHWYUSN-UXHICEINSA-N 1 2 488.032 4.800 20 0 JJADLO CC(C)N(Cc1ccco1)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC[N@H+]1CCOC[C@H]1C ZINC001360756500 1065815342 /nfs/dbraw/zinc/81/53/42/1065815342.db2.gz VOFXFOVFHWYUSN-UXHICEINSA-N 1 2 488.032 4.800 20 0 JJADLO CC(C)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001360769005 1065859063 /nfs/dbraw/zinc/85/90/63/1065859063.db2.gz BXBZGPYZEZSGNJ-HXUWFJFHSA-N 1 2 473.637 4.540 20 0 JJADLO CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)c2ccc(Cn3ccc(C(F)(F)F)n3)cc2)C1 ZINC001440167465 1065919017 /nfs/dbraw/zinc/91/90/17/1065919017.db2.gz FUMYIOQHQVMJDK-IBGZPJMESA-N 1 2 459.516 4.922 20 0 JJADLO Cc1ccc(NC(=O)C[N@@H+](C)Cc2ccccc2)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC001440387483 1065936628 /nfs/dbraw/zinc/93/66/28/1065936628.db2.gz QFAUMHZETSZIIH-UHFFFAOYSA-N 1 2 457.983 4.520 20 0 JJADLO Cc1ccc(NC(=O)C[N@H+](C)Cc2ccccc2)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC001440387483 1065936641 /nfs/dbraw/zinc/93/66/41/1065936641.db2.gz QFAUMHZETSZIIH-UHFFFAOYSA-N 1 2 457.983 4.520 20 0 JJADLO CC1(C)CN(c2nnc(COc3ccc(Cl)cc3)n2CCCNc2cccc[nH+]2)CC(C)(C)O1 ZINC001360830079 1065942526 /nfs/dbraw/zinc/94/25/26/1065942526.db2.gz XAUWPNCEMLENSJ-UHFFFAOYSA-N 1 2 485.032 4.802 20 0 JJADLO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC001440488966 1065943992 /nfs/dbraw/zinc/94/39/92/1065943992.db2.gz ZCGVKJVNIJKEFZ-HNNXBMFYSA-N 1 2 457.785 4.637 20 0 JJADLO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC001440488968 1065944015 /nfs/dbraw/zinc/94/40/15/1065944015.db2.gz ZCGVKJVNIJKEFZ-OAHLLOKOSA-N 1 2 457.785 4.637 20 0 JJADLO O=C(NCc1ccccc1C[NH+]1CCOCC1)[C@H](Sc1ccc(F)cc1)c1ccccc1 ZINC001440646675 1065957365 /nfs/dbraw/zinc/95/73/65/1065957365.db2.gz IWXBRJRRUYAMNV-RUZDIDTESA-N 1 2 450.579 4.808 20 0 JJADLO C[C@@]1(Br)C[C@H]1C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC001440648584 1065958573 /nfs/dbraw/zinc/95/85/73/1065958573.db2.gz CTOCCIHYXFILBO-OXJNMPFZSA-N 1 2 453.833 4.886 20 0 JJADLO Cc1cc(N2CCN(C(=O)c3cccc4cccc(Br)c43)CC2)nc(C(C)C)[nH+]1 ZINC001440680542 1065965153 /nfs/dbraw/zinc/96/51/53/1065965153.db2.gz BZFOTNWUJLAWFQ-UHFFFAOYSA-N 1 2 453.384 4.787 20 0 JJADLO Cc1c(C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)[nH]nc1C(F)(F)F ZINC001440681864 1065965496 /nfs/dbraw/zinc/96/54/96/1065965496.db2.gz OPLHOLUZWANTGK-UHFFFAOYSA-N 1 2 452.477 4.563 20 0 JJADLO Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001440686085 1065966842 /nfs/dbraw/zinc/96/68/42/1065966842.db2.gz LJTJEYYRRMUMFI-UHFFFAOYSA-N 1 2 457.550 4.581 20 0 JJADLO O=C([C@@H]1CCN(c2ccccc2Cl)C1)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001440708921 1065968709 /nfs/dbraw/zinc/96/87/09/1065968709.db2.gz IQHJLALADAVKAN-GOSISDBHSA-N 1 2 451.920 4.530 20 0 JJADLO COc1c(Br)cc(Cl)cc1NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC001440901542 1065992997 /nfs/dbraw/zinc/99/29/97/1065992997.db2.gz WYWVKFRETLKHEG-UHFFFAOYSA-N 1 2 454.777 4.939 20 0 JJADLO C[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)NC[C@@H](c3c(F)cccc3Cl)[NH+]3CCCC3)c2N1 ZINC001441313210 1066025527 /nfs/dbraw/zinc/02/55/27/1066025527.db2.gz CTAHLTDQHUBFMX-OAUYIBNBSA-N 1 2 473.902 4.550 20 0 JJADLO C[C@H](C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N(C(=O)OC(C)(C)C)C1CC1 ZINC001441313013 1066025550 /nfs/dbraw/zinc/02/55/50/1066025550.db2.gz CCNXNCWGFDKJQO-BEFAXECRSA-N 1 2 453.986 4.520 20 0 JJADLO O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C1=Cc2ccccc2O[C@H]1C(F)F ZINC001441318276 1066027494 /nfs/dbraw/zinc/02/74/94/1066027494.db2.gz KCZHXDQQNGVTTQ-WIYYLYMNSA-N 1 2 450.888 4.842 20 0 JJADLO COc1cc(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)c(C(=O)N2[C@H](C)CCC[C@@H]2C)cc1OC ZINC001441321930 1066028013 /nfs/dbraw/zinc/02/80/13/1066028013.db2.gz LWFRUVDYDRISAB-UEXGIBASSA-N 1 2 456.587 4.529 20 0 JJADLO Cc1cccc(O[C@H](C)c2nnc(N3CCOC(C)(C)[C@H]3C)n2CCCNc2cccc[nH+]2)c1C ZINC001360879170 1066029461 /nfs/dbraw/zinc/02/94/61/1066029461.db2.gz HNARWKAEFAVOIP-FGZHOGPDSA-N 1 2 478.641 4.936 20 0 JJADLO CC1=C(C)CN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001360882838 1066036127 /nfs/dbraw/zinc/03/61/27/1066036127.db2.gz ARBKQWGZJKYHLF-LJQANCHMSA-N 1 2 450.562 4.613 20 0 JJADLO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC(C)=C(C)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001360883649 1066037384 /nfs/dbraw/zinc/03/73/84/1066037384.db2.gz WCKPIVINWDKIEU-FCHUYYIVSA-N 1 2 488.076 4.956 20 0 JJADLO Cc1cccc(O[C@@H](C)c2nnc(N3CCC(C)=C(C)C3)n2CC(C)(C)[NH+]2CCOCC2)c1C ZINC001360883701 1066037890 /nfs/dbraw/zinc/03/78/90/1066037890.db2.gz WSVWHGPTEAYUFB-QHCPKHFHSA-N 1 2 467.658 4.692 20 0 JJADLO CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC001441417096 1066039708 /nfs/dbraw/zinc/03/97/08/1066039708.db2.gz GNTYGFVBANXMTE-OAHLLOKOSA-N 1 2 451.276 4.561 20 0 JJADLO Cc1ccc(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1NC(=O)NC(C)(C)C ZINC001441656743 1066058049 /nfs/dbraw/zinc/05/80/49/1066058049.db2.gz GBGXHECMHYBUJM-KDURUIRLSA-N 1 2 452.599 4.777 20 0 JJADLO Cc1ccc(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1NC(=O)NC(C)(C)C ZINC001441656743 1066058062 /nfs/dbraw/zinc/05/80/62/1066058062.db2.gz GBGXHECMHYBUJM-KDURUIRLSA-N 1 2 452.599 4.777 20 0 JJADLO CCCOc1ccc(OCC(=O)N(CC)C2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc1 ZINC001360906752 1066060749 /nfs/dbraw/zinc/06/07/49/1066060749.db2.gz KUVUUOUUAPBHCT-UHFFFAOYSA-N 1 2 454.615 4.594 20 0 JJADLO CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC001442016118 1066085323 /nfs/dbraw/zinc/08/53/23/1066085323.db2.gz GIOMYVYKHSNPKU-GHTZIAJQSA-N 1 2 458.628 4.655 20 0 JJADLO CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC001442016118 1066085333 /nfs/dbraw/zinc/08/53/33/1066085333.db2.gz GIOMYVYKHSNPKU-GHTZIAJQSA-N 1 2 458.628 4.655 20 0 JJADLO CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC001442016121 1066085888 /nfs/dbraw/zinc/08/58/88/1066085888.db2.gz GIOMYVYKHSNPKU-WIYYLYMNSA-N 1 2 458.628 4.655 20 0 JJADLO CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC001442016121 1066085897 /nfs/dbraw/zinc/08/58/97/1066085897.db2.gz GIOMYVYKHSNPKU-WIYYLYMNSA-N 1 2 458.628 4.655 20 0 JJADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(Sc2ccccc2)c(Cl)c1 ZINC001442718682 1066155347 /nfs/dbraw/zinc/15/53/47/1066155347.db2.gz PBENSJRVEPNOEQ-FQEVSTJZSA-N 1 2 456.999 4.926 20 0 JJADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(Sc2ccccc2)c(Cl)c1 ZINC001442718682 1066155348 /nfs/dbraw/zinc/15/53/48/1066155348.db2.gz PBENSJRVEPNOEQ-FQEVSTJZSA-N 1 2 456.999 4.926 20 0 JJADLO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@H](C)[C@@H](C)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001360989797 1066163871 /nfs/dbraw/zinc/16/38/71/1066163871.db2.gz KXVQADAJKNKMSU-AGOPTVSRSA-N 1 2 490.092 4.891 20 0 JJADLO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)CC[NH+]2CCOCC2)n1CC1CCCC1 ZINC001360990285 1066167293 /nfs/dbraw/zinc/16/72/93/1066167293.db2.gz SCEWBNGIECJTKL-FQEVSTJZSA-N 1 2 476.065 4.647 20 0 JJADLO CC(C)(C)OC(=O)NC1(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CCCCC1 ZINC001442907696 1066238626 /nfs/dbraw/zinc/23/86/26/1066238626.db2.gz KYCKUTUKDRHSRL-HXUWFJFHSA-N 1 2 450.023 4.648 20 0 JJADLO CC(C)(C)OC(=O)NC1(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CCCCC1 ZINC001442907696 1066238641 /nfs/dbraw/zinc/23/86/41/1066238641.db2.gz KYCKUTUKDRHSRL-HXUWFJFHSA-N 1 2 450.023 4.648 20 0 JJADLO Cc1ncc(C[NH+]2CCN(c3nnc(COc4cc(C)cc(C)c4)n3CCCC(C)C)CC2)s1 ZINC001361035673 1066254416 /nfs/dbraw/zinc/25/44/16/1066254416.db2.gz JGQHJXCDTYGREP-UHFFFAOYSA-N 1 2 482.698 4.997 20 0 JJADLO CC(C)(C)OC(=O)N1[C@H](C(=O)NCCn2c[nH+]cc2-c2ccccc2)CC[C@@H]2CCCC[C@@H]21 ZINC001454327506 1066270415 /nfs/dbraw/zinc/27/04/15/1066270415.db2.gz KLHVTCNSUHULOD-FKBYEOEOSA-N 1 2 452.599 4.625 20 0 JJADLO COc1cccc([C@H]2CN(C(=O)c3cn(C(C)(C)C)nc3-c3ccccc3Cl)CC[NH2+]2)c1 ZINC001454479538 1066289732 /nfs/dbraw/zinc/28/97/32/1066289732.db2.gz VVOPACCKYQBXQM-JOCHJYFZSA-N 1 2 452.986 4.754 20 0 JJADLO CCN1c2ccc(NC(=O)[C@H]3CCC[N@@H+]3Cc3ccc(Cl)cc3)cc2OCC(C)(C)C1=O ZINC001454512581 1066295315 /nfs/dbraw/zinc/29/53/15/1066295315.db2.gz NGFGXEKQUYGOPZ-OAQYLSRUSA-N 1 2 455.986 4.715 20 0 JJADLO CCN1c2ccc(NC(=O)[C@H]3CCC[N@H+]3Cc3ccc(Cl)cc3)cc2OCC(C)(C)C1=O ZINC001454512581 1066295333 /nfs/dbraw/zinc/29/53/33/1066295333.db2.gz NGFGXEKQUYGOPZ-OAQYLSRUSA-N 1 2 455.986 4.715 20 0 JJADLO Cc1ccc(C(=O)N2CCc3cc[nH+]c(N)c3C2)cc1OCc1csc(Br)c1 ZINC001454534390 1066296687 /nfs/dbraw/zinc/29/66/87/1066296687.db2.gz RMBITRPNBPGGFQ-UHFFFAOYSA-N 1 2 458.381 4.574 20 0 JJADLO Cc1cc(CN(C)c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccc(N(C)C)[nH+]c2)no1 ZINC001361056540 1066297186 /nfs/dbraw/zinc/29/71/86/1066297186.db2.gz UAUZPAUASYUMDH-UHFFFAOYSA-N 1 2 472.380 4.694 20 0 JJADLO O=C(Nc1ccc(F)cc1-c1ccc(F)cc1)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC001443385406 1066304076 /nfs/dbraw/zinc/30/40/76/1066304076.db2.gz STVPDKHBLMIIQE-QHCPKHFHSA-N 1 2 452.505 4.601 20 0 JJADLO O=C(Nc1ccc(F)cc1-c1ccc(F)cc1)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC001443385406 1066304096 /nfs/dbraw/zinc/30/40/96/1066304096.db2.gz STVPDKHBLMIIQE-QHCPKHFHSA-N 1 2 452.505 4.601 20 0 JJADLO O=C(NCCCCNc1cccc[nH+]1)[C@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 ZINC001443407185 1066306577 /nfs/dbraw/zinc/30/65/77/1066306577.db2.gz LLWGGEXVTAURGN-RPLLCQBOSA-N 1 2 456.590 4.570 20 0 JJADLO Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@@H](C)[C@H]2C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001361088294 1066330812 /nfs/dbraw/zinc/33/08/12/1066330812.db2.gz HOUVJHCLJRVJPV-UYAOXDASSA-N 1 2 483.060 4.996 20 0 JJADLO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC001443605317 1066336936 /nfs/dbraw/zinc/33/69/36/1066336936.db2.gz QEDOGTAWRKUXNW-OPAMFIHVSA-N 1 2 453.583 4.633 20 0 JJADLO O=C(C[C@H](O)c1ccc(Cl)cc1)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC001443633595 1066341658 /nfs/dbraw/zinc/34/16/58/1066341658.db2.gz OZYLFRBEPNIQRX-NRFANRHFSA-N 1 2 450.341 4.872 20 0 JJADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001443672382 1066347085 /nfs/dbraw/zinc/34/70/85/1066347085.db2.gz HCLBMXKMIWPDML-CTNGQTDRSA-N 1 2 453.505 4.591 20 0 JJADLO Cc1cc(N2CCN(c3nnc(-c4ccc(Cl)cc4F)n3CC(C)C)CC2)nc(C(C)C)[nH+]1 ZINC001361105290 1066354441 /nfs/dbraw/zinc/35/44/41/1066354441.db2.gz CYBSGBNOVACRIH-UHFFFAOYSA-N 1 2 472.012 4.942 20 0 JJADLO Cc1cc(N2CCN(c3nnc(CC(C)C)n3C[C@@H](c3cccnc3)C(C)C)CC2)nc(C(C)C)[nH+]1 ZINC001361105453 1066354476 /nfs/dbraw/zinc/35/44/76/1066354476.db2.gz KOZGHKYXWMXBQM-XMMPIXPASA-N 1 2 490.700 4.860 20 0 JJADLO O=C(Cc1ccc(OCCOc2ccccc2)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001443757605 1066362579 /nfs/dbraw/zinc/36/25/79/1066362579.db2.gz HVPDHFVJGLUXFF-JXMROGBWSA-N 1 2 456.586 4.545 20 0 JJADLO O=C(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(Br)cc1O ZINC001443763298 1066363748 /nfs/dbraw/zinc/36/37/48/1066363748.db2.gz DFXBTXOZSHYKKJ-UHFFFAOYSA-N 1 2 458.183 4.856 20 0 JJADLO CCOC(=O)COc1ccc(OC(=O)[C@@H](c2cccc(C(F)(F)F)c2)[NH+](CC)CC)cc1 ZINC001361121237 1066371252 /nfs/dbraw/zinc/37/12/52/1066371252.db2.gz CJUIUEBLGDEALH-OAQYLSRUSA-N 1 2 453.457 4.636 20 0 JJADLO CCc1ccc(C[NH+]2CCN(C(=O)c3c(C)nn(Cc4ccc(Cl)cc4)c3C)CC2)cc1 ZINC001455228352 1066373681 /nfs/dbraw/zinc/37/36/81/1066373681.db2.gz UCACFVGIDYSZGK-UHFFFAOYSA-N 1 2 451.014 4.722 20 0 JJADLO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC001443873983 1066379428 /nfs/dbraw/zinc/37/94/28/1066379428.db2.gz AYGAZLAOAPRXFE-PWIZWCRZSA-N 1 2 468.013 4.643 20 0 JJADLO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC001443873983 1066379442 /nfs/dbraw/zinc/37/94/42/1066379442.db2.gz AYGAZLAOAPRXFE-PWIZWCRZSA-N 1 2 468.013 4.643 20 0 JJADLO O=C(Cc1cc(F)ccc1Br)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC001443888229 1066381083 /nfs/dbraw/zinc/38/10/83/1066381083.db2.gz NAJGCZBHPOCHAD-QGZVFWFLSA-N 1 2 457.746 4.704 20 0 JJADLO O=C(Cc1cc(F)ccc1Br)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC001443888229 1066381100 /nfs/dbraw/zinc/38/11/00/1066381100.db2.gz NAJGCZBHPOCHAD-QGZVFWFLSA-N 1 2 457.746 4.704 20 0 JJADLO O=C(N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)c1cccc(NCc2ccccn2)c1 ZINC001443890355 1066382010 /nfs/dbraw/zinc/38/20/10/1066382010.db2.gz ORNMZGRWYACRHV-QHCPKHFHSA-N 1 2 452.961 4.881 20 0 JJADLO O=C(N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)c1cccc(NCc2ccccn2)c1 ZINC001443890355 1066382021 /nfs/dbraw/zinc/38/20/21/1066382021.db2.gz ORNMZGRWYACRHV-QHCPKHFHSA-N 1 2 452.961 4.881 20 0 JJADLO O=C(N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 ZINC001443896461 1066383011 /nfs/dbraw/zinc/38/30/11/1066383011.db2.gz SWDFJBCUUZNYCI-YSIASYRMSA-N 1 2 452.904 4.965 20 0 JJADLO O=C(N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 ZINC001443896461 1066383023 /nfs/dbraw/zinc/38/30/23/1066383023.db2.gz SWDFJBCUUZNYCI-YSIASYRMSA-N 1 2 452.904 4.965 20 0 JJADLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)C2(c3cc(OC)cc(OC)c3)CCCC2)CC1 ZINC001455454271 1066391693 /nfs/dbraw/zinc/39/16/93/1066391693.db2.gz JDMUGMKZPMEYLB-VWLOTQADSA-N 1 2 454.586 4.950 20 0 JJADLO CC[C@H](C(=O)N(C)[C@H](c1ccccc1)c1ccccc1Br)[N@@H+]1CCO[C@H](CC)C1 ZINC001455454228 1066392006 /nfs/dbraw/zinc/39/20/06/1066392006.db2.gz PABUPEVSNWRZPP-UEVCKROQSA-N 1 2 459.428 4.886 20 0 JJADLO CC[C@H](C(=O)N(C)[C@H](c1ccccc1)c1ccccc1Br)[N@H+]1CCO[C@H](CC)C1 ZINC001455454228 1066392023 /nfs/dbraw/zinc/39/20/23/1066392023.db2.gz PABUPEVSNWRZPP-UEVCKROQSA-N 1 2 459.428 4.886 20 0 JJADLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@H](CC(C)C)NC(=O)c2ccccc2C)CC1 ZINC001455460466 1066393233 /nfs/dbraw/zinc/39/32/33/1066393233.db2.gz BTYZANJYMRXSEG-DQEYMECFSA-N 1 2 453.602 4.574 20 0 JJADLO Cc1cc(C[NH+]2CCN(c3nnc(COc4cc(C)ccc4C(C)C)n3CCC(C)C)CC2)on1 ZINC001361130434 1066395743 /nfs/dbraw/zinc/39/57/43/1066395743.db2.gz MMBKUVHTQRLFRK-UHFFFAOYSA-N 1 2 480.657 4.954 20 0 JJADLO C[C@H](CN(C)C(=O)[C@H](Cc1cn(Cc2ccccc2)c[nH+]1)NC(=O)OC(C)(C)C)C(C)(C)C ZINC001455521969 1066403790 /nfs/dbraw/zinc/40/37/90/1066403790.db2.gz MEERIOQUFIBNIB-KNQAVFIVSA-N 1 2 456.631 4.508 20 0 JJADLO C/C(=C\C(=O)NCc1ccc(C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1)c1cccs1 ZINC001455646842 1066419056 /nfs/dbraw/zinc/41/90/56/1066419056.db2.gz QPGCCMLZPWYZJJ-KNTRCKAVSA-N 1 2 455.624 4.521 20 0 JJADLO Cc1nc(NCc2cccc(C(=O)N3CCC([C@H](O)c4ccc(Cl)cc4)CC3)c2)cc[nH+]1 ZINC001444569503 1066477796 /nfs/dbraw/zinc/47/77/96/1066477796.db2.gz RSOKJHMCLJKEDQ-XMMPIXPASA-N 1 2 450.970 4.636 20 0 JJADLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)COC(c1ccccc1)c1ccccc1 ZINC001361172565 1066490105 /nfs/dbraw/zinc/49/01/05/1066490105.db2.gz GIVXTKHNTPZCKN-DEOSSOPVSA-N 1 2 458.602 4.542 20 0 JJADLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@@H](OCC1CCCC1)c1ccccc1 ZINC001361172754 1066490170 /nfs/dbraw/zinc/49/01/70/1066490170.db2.gz JGYIYTHDQWXZTL-KCWPFWIISA-N 1 2 450.623 4.684 20 0 JJADLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@H](OCC1CCCC1)c1ccccc1 ZINC001361172758 1066490187 /nfs/dbraw/zinc/49/01/87/1066490187.db2.gz JGYIYTHDQWXZTL-YIXXDRMTSA-N 1 2 450.623 4.684 20 0 JJADLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N[C@H](c2ccccc2Cl)c2ccccc2OC)cc1 ZINC001444669353 1066490786 /nfs/dbraw/zinc/49/07/86/1066490786.db2.gz PWPRSZLUXGJLKS-UKILVPOCSA-N 1 2 450.966 4.837 20 0 JJADLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)N[C@H](c2ccccc2Cl)c2ccccc2OC)cc1 ZINC001444669353 1066490790 /nfs/dbraw/zinc/49/07/90/1066490790.db2.gz PWPRSZLUXGJLKS-UKILVPOCSA-N 1 2 450.966 4.837 20 0 JJADLO Cc1ccc(C(=O)c2ccccc2C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)cc1C ZINC001444744768 1066500743 /nfs/dbraw/zinc/50/07/43/1066500743.db2.gz QOBFRLFOFBRXRC-UHFFFAOYSA-N 1 2 455.602 4.999 20 0 JJADLO Cc1c(NC(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc(Br)cc1C(F)(F)F ZINC001456179400 1066530418 /nfs/dbraw/zinc/53/04/18/1066530418.db2.gz NLSKVXLGBFXKCG-PRXAMGSTSA-N 1 2 451.327 4.849 20 0 JJADLO C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)Oc1ccccc1Br ZINC001445341095 1066559367 /nfs/dbraw/zinc/55/93/67/1066559367.db2.gz YLOBIMPDUPZPBN-BEFAXECRSA-N 1 2 451.792 4.651 20 0 JJADLO C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)Oc1ccccc1Br ZINC001445341095 1066559376 /nfs/dbraw/zinc/55/93/76/1066559376.db2.gz YLOBIMPDUPZPBN-BEFAXECRSA-N 1 2 451.792 4.651 20 0 JJADLO C[NH+](C)[C@H](C(=O)Nc1nnc(-c2cccc(Br)c2)s1)c1ccc(Cl)cc1 ZINC001456407285 1066579813 /nfs/dbraw/zinc/57/98/13/1066579813.db2.gz DDKNUVXKPTYACS-HNNXBMFYSA-N 1 2 451.777 4.862 20 0 JJADLO Cc1ccc(CN(C)c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC[N@@H+]2CCOC[C@H]2C)s1 ZINC001361248253 1066591786 /nfs/dbraw/zinc/59/17/86/1066591786.db2.gz IOFOTZCCXJSYMK-DENIHFKCSA-N 1 2 483.682 4.762 20 0 JJADLO Cc1ccc(CN(C)c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC[N@H+]2CCOC[C@H]2C)s1 ZINC001361248253 1066591793 /nfs/dbraw/zinc/59/17/93/1066591793.db2.gz IOFOTZCCXJSYMK-DENIHFKCSA-N 1 2 483.682 4.762 20 0 JJADLO Cc1ccc(CN(C)c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[N@@H+]2CCOC[C@@H]2C)s1 ZINC001361248256 1066591828 /nfs/dbraw/zinc/59/18/28/1066591828.db2.gz IOFOTZCCXJSYMK-UGKGYDQZSA-N 1 2 483.682 4.762 20 0 JJADLO Cc1ccc(CN(C)c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[N@H+]2CCOC[C@@H]2C)s1 ZINC001361248256 1066591832 /nfs/dbraw/zinc/59/18/32/1066591832.db2.gz IOFOTZCCXJSYMK-UGKGYDQZSA-N 1 2 483.682 4.762 20 0 JJADLO CCN(C(=O)Cc1csc(-c2ccoc2)n1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001456689807 1066667469 /nfs/dbraw/zinc/66/74/69/1066667469.db2.gz YSTVJZKIOYVSFJ-UHFFFAOYSA-N 1 2 453.612 4.685 20 0 JJADLO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC=C(C)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001492609617 1066671202 /nfs/dbraw/zinc/67/12/02/1066671202.db2.gz SOXWHGVAEVIALL-NRFANRHFSA-N 1 2 488.076 4.956 20 0 JJADLO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CCC=C(C)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001492609617 1066671205 /nfs/dbraw/zinc/67/12/05/1066671205.db2.gz SOXWHGVAEVIALL-NRFANRHFSA-N 1 2 488.076 4.956 20 0 JJADLO COc1cc(Cl)c(Br)cc1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC001446283671 1066685413 /nfs/dbraw/zinc/68/54/13/1066685413.db2.gz CDYJTXSWGBMYAC-UHFFFAOYSA-N 1 2 452.780 4.817 20 0 JJADLO Cc1cn2c([nH+]1)[C@H](Cn1c(CC(C)C)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1)CCC2 ZINC001492628840 1066700824 /nfs/dbraw/zinc/70/08/24/1066700824.db2.gz NZDGAFGKQPNZGV-UNMCSNQZSA-N 1 2 499.704 4.689 20 0 JJADLO CCN(CC)C(=O)CCCC(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC001446529052 1066715912 /nfs/dbraw/zinc/71/59/12/1066715912.db2.gz NKVHNLLDJUNABE-SANMLTNESA-N 1 2 456.030 4.612 20 0 JJADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)Cn2c3ccccc3nc2SC(F)F)c(C)c1 ZINC001446587024 1066724104 /nfs/dbraw/zinc/72/41/04/1066724104.db2.gz SNZYWHVQFPZFRC-LJQANCHMSA-N 1 2 455.534 4.722 20 0 JJADLO COCCOc1c(Cl)cc(NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)cc1Cl ZINC001446847042 1066747811 /nfs/dbraw/zinc/74/78/11/1066747811.db2.gz QGKRHZYIWDWWAP-UHFFFAOYSA-N 1 2 454.379 4.847 20 0 JJADLO Cc1csc(CN(C)c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCc2cccc(C)[nH+]2)c1 ZINC001492646084 1066748551 /nfs/dbraw/zinc/74/85/51/1066748551.db2.gz VAWQTQJNNSARCV-UHFFFAOYSA-N 1 2 495.674 4.691 20 0 JJADLO Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)N3CC[N@@H+](C)[C@H](C)[C@@H]3C)cc12 ZINC001446963412 1066759266 /nfs/dbraw/zinc/75/92/66/1066759266.db2.gz FDEUFMZJPWXRBY-KGLIPLIRSA-N 1 2 451.423 4.926 20 0 JJADLO Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)N3CC[N@H+](C)[C@H](C)[C@@H]3C)cc12 ZINC001446963412 1066759271 /nfs/dbraw/zinc/75/92/71/1066759271.db2.gz FDEUFMZJPWXRBY-KGLIPLIRSA-N 1 2 451.423 4.926 20 0 JJADLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(-c2cccc(Cl)c2)n[nH]1 ZINC001545991705 1066766769 /nfs/dbraw/zinc/76/67/69/1066766769.db2.gz XJXASUSSLJPGFM-BXKMTCNYSA-N 1 2 452.002 4.806 20 0 JJADLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(-c2cccc(Cl)c2)n[nH]1 ZINC001545991705 1066766781 /nfs/dbraw/zinc/76/67/81/1066766781.db2.gz XJXASUSSLJPGFM-BXKMTCNYSA-N 1 2 452.002 4.806 20 0 JJADLO CC[C@H](C(=O)N(Cc1ccccc1)Cc1ccc(Br)cc1)[N@@H+]1CCO[C@H](CC)C1 ZINC001447035103 1066768495 /nfs/dbraw/zinc/76/84/95/1066768495.db2.gz XYJDHSQGHKYDFU-DHIUTWEWSA-N 1 2 459.428 4.867 20 0 JJADLO CC[C@H](C(=O)N(Cc1ccccc1)Cc1ccc(Br)cc1)[N@H+]1CCO[C@H](CC)C1 ZINC001447035103 1066768501 /nfs/dbraw/zinc/76/85/01/1066768501.db2.gz XYJDHSQGHKYDFU-DHIUTWEWSA-N 1 2 459.428 4.867 20 0 JJADLO CCC(CC)[C@H](C(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1C)[NH+]1CCOCC1 ZINC001447365546 1066799763 /nfs/dbraw/zinc/79/97/63/1066799763.db2.gz BPEGQHVWXUBUFO-HSZRJFAPSA-N 1 2 458.002 4.976 20 0 JJADLO Cc1ccc(C(C)C)c(OCCC(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)c1 ZINC001447510954 1066817233 /nfs/dbraw/zinc/81/72/33/1066817233.db2.gz GOSPIIRGYCNHNL-UHFFFAOYSA-N 1 2 458.400 4.965 20 0 JJADLO Cc1nc(Cc2nnc(N3CCC[C@@H](C)CC3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)cs1 ZINC001492679201 1066821305 /nfs/dbraw/zinc/82/13/05/1066821305.db2.gz WTQCSSYZHWBJIR-IERDGZPVSA-N 1 2 474.625 4.841 20 0 JJADLO Cc1ncc(CN(C)c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2ccc(N(C)C)[nH+]c2)s1 ZINC001492695886 1066844131 /nfs/dbraw/zinc/84/41/31/1066844131.db2.gz CMABPOPBQZLNDC-INIZCTEOSA-N 1 2 498.056 4.982 20 0 JJADLO CC[NH+](CC)[C@@H](CNC(=O)c1cc(Cl)cc(Br)c1O)c1cccc(OC)c1 ZINC001457512730 1066847204 /nfs/dbraw/zinc/84/72/04/1066847204.db2.gz FULBWHWFIMEMLB-SFHVURJKSA-N 1 2 455.780 4.630 20 0 JJADLO Cc1ncc(C[NH+]2CCN(c3nnc(CC(C)(C)C)n3CCO[C@@H]3CCCC[C@@H]3C)CC2)s1 ZINC001492701716 1066858671 /nfs/dbraw/zinc/85/86/71/1066858671.db2.gz CZGHEPWTKCUFDT-SIKLNZKXSA-N 1 2 474.719 4.549 20 0 JJADLO Cc1ncc(C[NH+]2CCN(c3nnc(CC(C)(C)C)n3CCc3c(C)cccc3C)CC2)s1 ZINC001492702144 1066859843 /nfs/dbraw/zinc/85/98/43/1066859843.db2.gz TVFCCIUXLIOCDG-UHFFFAOYSA-N 1 2 466.699 4.813 20 0 JJADLO Cc1nc(N2CCN(c3nnc(-c4ccccc4Br)n3CCCC(C)(C)C)CC2)cc[nH+]1 ZINC001492703585 1066861653 /nfs/dbraw/zinc/86/16/53/1066861653.db2.gz VIBDYCDERGAPNV-UHFFFAOYSA-N 1 2 498.473 4.959 20 0 JJADLO Cc1nc(N2CCN(c3nnc(-c4cccc(Br)c4)n3CCCC(C)(C)C)CC2)cc[nH+]1 ZINC001492703718 1066861683 /nfs/dbraw/zinc/86/16/83/1066861683.db2.gz XPWPJQXBEFPHHT-UHFFFAOYSA-N 1 2 498.473 4.959 20 0 JJADLO Cc1ncc(C[NH+]2CCN(c3nnc(Cc4c(F)cccc4F)n3CCCC(C)C)CC2)s1 ZINC001492703397 1066861759 /nfs/dbraw/zinc/86/17/59/1066861759.db2.gz OQRSXNJUOVKCSS-UHFFFAOYSA-N 1 2 474.625 4.670 20 0 JJADLO Cc1ncc(C[NH+]2CCN(c3nnc(CC(C)C)n3CCOc3ccccc3C(C)C)CC2)s1 ZINC001492703039 1066861807 /nfs/dbraw/zinc/86/18/07/1066861807.db2.gz AOMHCFWCAZCAGT-UHFFFAOYSA-N 1 2 482.698 4.766 20 0 JJADLO Cc1ncc(C[NH+]2CCN(c3nnc(CCCc4ccccc4)n3CCC(C)(F)F)CC2)s1 ZINC001492703393 1066861895 /nfs/dbraw/zinc/86/18/95/1066861895.db2.gz OIWVJBWWRPKNMY-UHFFFAOYSA-N 1 2 474.625 4.586 20 0 JJADLO Cc1nc(N2CCN(c3nnc([C@H](C)Oc4ccccc4F)n3CCCC(C)(C)C)CC2)cc[nH+]1 ZINC001492703399 1066861947 /nfs/dbraw/zinc/86/19/47/1066861947.db2.gz OUCBAEUQASCVFE-IBGZPJMESA-N 1 2 481.620 4.809 20 0 JJADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)c3cc4c(s3)CC[C@H](C(C)(C)C)C4)c2)CC1 ZINC001447813200 1066865108 /nfs/dbraw/zinc/86/51/08/1066865108.db2.gz YNOMZWLYYDKOAR-NRFANRHFSA-N 1 2 453.652 4.816 20 0 JJADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)[C@H](C)C1 ZINC001448233367 1066912611 /nfs/dbraw/zinc/91/26/11/1066912611.db2.gz BIXASKHHIXAIAS-IERDGZPVSA-N 1 2 451.394 4.549 20 0 JJADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)[C@H](C)C1 ZINC001448233367 1066912621 /nfs/dbraw/zinc/91/26/21/1066912621.db2.gz BIXASKHHIXAIAS-IERDGZPVSA-N 1 2 451.394 4.549 20 0 JJADLO CCc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)cc1 ZINC001448354216 1066918558 /nfs/dbraw/zinc/91/85/58/1066918558.db2.gz MKKAQNYDSHMZKW-DHIUTWEWSA-N 1 2 454.615 4.853 20 0 JJADLO O=C(c1ccc(NCCn2cc[nH+]c2)cc1)N1CCC(c2cccc(Br)c2)CC1 ZINC001448403609 1066923724 /nfs/dbraw/zinc/92/37/24/1066923724.db2.gz YXWSONAQHFVNDA-UHFFFAOYSA-N 1 2 453.384 4.778 20 0 JJADLO C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC001448589500 1066940610 /nfs/dbraw/zinc/94/06/10/1066940610.db2.gz NUXRJPSHCRHZRP-INIZCTEOSA-N 1 2 452.555 4.724 20 0 JJADLO O=C(Cc1ccc(F)c(Br)c1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC001448618446 1066942853 /nfs/dbraw/zinc/94/28/53/1066942853.db2.gz BKUUCXJUQXIRIG-UHFFFAOYSA-N 1 2 450.739 4.710 20 0 JJADLO O=C(c1cc(F)c(Br)cc1F)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC001448654798 1066946769 /nfs/dbraw/zinc/94/67/69/1066946769.db2.gz VWFIYRSTMGMNEN-UHFFFAOYSA-N 1 2 454.702 4.920 20 0 JJADLO CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001448785539 1066957471 /nfs/dbraw/zinc/95/74/71/1066957471.db2.gz LMSNKBHZYOSQKH-UHFFFAOYSA-N 1 2 454.398 4.955 20 0 JJADLO CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001448785539 1066957479 /nfs/dbraw/zinc/95/74/79/1066957479.db2.gz LMSNKBHZYOSQKH-UHFFFAOYSA-N 1 2 454.398 4.955 20 0 JJADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)c1cc(I)ccc1F ZINC001458054979 1066962536 /nfs/dbraw/zinc/96/25/36/1066962536.db2.gz JQZDJFANWAMLCJ-UHFFFAOYSA-N 1 2 459.262 4.598 20 0 JJADLO Clc1ccccc1OCC[NH+]1CCN(c2nc3c(cccc3Br)s2)CC1 ZINC001458086243 1066970424 /nfs/dbraw/zinc/97/04/24/1066970424.db2.gz WSXVQJYGNRGGIP-UHFFFAOYSA-N 1 2 452.805 4.913 20 0 JJADLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(OC(F)(F)Cl)cc1 ZINC001458151372 1066989031 /nfs/dbraw/zinc/98/90/31/1066989031.db2.gz DQNYYODBRDRMFM-HRAATJIYSA-N 1 2 451.945 4.931 20 0 JJADLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(OC(F)(F)Cl)cc1 ZINC001458151372 1066989038 /nfs/dbraw/zinc/98/90/38/1066989038.db2.gz DQNYYODBRDRMFM-HRAATJIYSA-N 1 2 451.945 4.931 20 0 JJADLO CCc1nc2ccc(C(=O)N3CC[N@@H+](Cc4ccc(C)nc4)C[C@H]3[C@@H](C)CC)cc2nc1CC ZINC001458152117 1066989276 /nfs/dbraw/zinc/98/92/76/1066989276.db2.gz GHFOLHJEFWXAGQ-PPHZAIPVSA-N 1 2 459.638 4.831 20 0 JJADLO CCc1nc2ccc(C(=O)N3CC[N@H+](Cc4ccc(C)nc4)C[C@H]3[C@@H](C)CC)cc2nc1CC ZINC001458152117 1066989283 /nfs/dbraw/zinc/98/92/83/1066989283.db2.gz GHFOLHJEFWXAGQ-PPHZAIPVSA-N 1 2 459.638 4.831 20 0 JJADLO Cc1ccc(C)c(N2CCN(C(=O)[C@@H](c3ccc(Br)cc3)[NH+]3CCCC3)CC2)c1 ZINC001458160017 1066992728 /nfs/dbraw/zinc/99/27/28/1066992728.db2.gz BHSLEKYEIXGRGS-HSZRJFAPSA-N 1 2 456.428 4.552 20 0 JJADLO COc1cccc(OCC[NH+]2CCN(C(=O)c3cc(Cl)ccc3OC3CCCC3)CC2)c1 ZINC001458160527 1066993141 /nfs/dbraw/zinc/99/31/41/1066993141.db2.gz LKGHCVPCKTZHJP-UHFFFAOYSA-N 1 2 458.986 4.507 20 0 JJADLO Cc1ccc(OCC(=O)N2CC[NH+](CCOC(c3ccccc3)c3ccccc3)CC2)c(C)c1 ZINC001458175716 1066997230 /nfs/dbraw/zinc/99/72/30/1066997230.db2.gz XYHBPSIZQKQQMR-UHFFFAOYSA-N 1 2 458.602 4.633 20 0 JJADLO CC[C@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1)OC ZINC001546013025 1066997429 /nfs/dbraw/zinc/99/74/29/1066997429.db2.gz SPQQNKYDHZEKQQ-JOCHJYFZSA-N 1 2 492.668 4.603 20 0 JJADLO Cc1nc2ccc(C(=O)N(CCn3cc[nH+]c3)Cc3ccccc3Br)cc2s1 ZINC001449366153 1067004403 /nfs/dbraw/zinc/00/44/03/1067004403.db2.gz BHBCHBWFEMIAOQ-UHFFFAOYSA-N 1 2 455.381 4.906 20 0 JJADLO CC[C@H](c1nnc(N2CCC=C(Br)C2)n1Cc1ccc(N(C)C)[nH+]c1)c1ccccc1 ZINC001545746063 1067013592 /nfs/dbraw/zinc/01/35/92/1067013592.db2.gz JVTTUMYZWHYGLA-NRFANRHFSA-N 1 2 481.442 4.818 20 0 JJADLO Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)OCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)c1 ZINC001458260851 1067015628 /nfs/dbraw/zinc/01/56/28/1067015628.db2.gz LNKWSHWOLGANCB-QFIPXVFZSA-N 1 2 459.377 4.980 20 0 JJADLO Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)OCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)c1 ZINC001458260851 1067015641 /nfs/dbraw/zinc/01/56/41/1067015641.db2.gz LNKWSHWOLGANCB-QFIPXVFZSA-N 1 2 459.377 4.980 20 0 JJADLO Cc1nc(NCc2cccc(C(=O)N3CC[C@H](c4cccc(Br)c4)C3)c2)cc[nH+]1 ZINC001449876497 1067033584 /nfs/dbraw/zinc/03/35/84/1067033584.db2.gz HXBZYHXPOPDFLF-FQEVSTJZSA-N 1 2 451.368 4.789 20 0 JJADLO CC[C@H](c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CC[C@H](OC)C(F)(F)F)c1ccccc1 ZINC001545756522 1067034142 /nfs/dbraw/zinc/03/41/42/1067034142.db2.gz JKLJRHQFXUGUKR-SFTDATJTSA-N 1 2 488.558 4.509 20 0 JJADLO CC[C@H](c1nnc(N2CC[NH+](Cc3cc(C)no3)CC2)n1CCCC(C)C)c1ccccc1 ZINC001545758534 1067038045 /nfs/dbraw/zinc/03/80/45/1067038045.db2.gz IVJMRLKRISWUOV-DEOSSOPVSA-N 1 2 450.631 4.875 20 0 JJADLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)CCCOc2ccc3c(c2)CCCC3)c2ccc(Cl)cc2)C1 ZINC001458453745 1067067437 /nfs/dbraw/zinc/06/74/37/1067067437.db2.gz MNFZPZNFBWXYFK-AOYPEHQESA-N 1 2 457.014 4.566 20 0 JJADLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)CCCOc2ccc3c(c2)CCCC3)c2ccc(Cl)cc2)C1 ZINC001458453745 1067067451 /nfs/dbraw/zinc/06/74/51/1067067451.db2.gz MNFZPZNFBWXYFK-AOYPEHQESA-N 1 2 457.014 4.566 20 0 JJADLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)CCc2cccc(OC3CCCC3)c2)c2ccc(Cl)cc2)C1 ZINC001458456553 1067067681 /nfs/dbraw/zinc/06/76/81/1067067681.db2.gz SUITUMXINLRMPO-RSXGOPAZSA-N 1 2 457.014 4.782 20 0 JJADLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)CCc2cccc(OC3CCCC3)c2)c2ccc(Cl)cc2)C1 ZINC001458456553 1067067694 /nfs/dbraw/zinc/06/76/94/1067067694.db2.gz SUITUMXINLRMPO-RSXGOPAZSA-N 1 2 457.014 4.782 20 0 JJADLO CC(C)(C)c1nc(CCNC(=O)[C@@H](c2cccc(Br)c2)[NH+]2CCCC2)cs1 ZINC001458467963 1067069538 /nfs/dbraw/zinc/06/95/38/1067069538.db2.gz RYRAIABYZFEOTQ-GOSISDBHSA-N 1 2 450.446 4.699 20 0 JJADLO C[C@H](c1nnc(SCC[C@H]2Sc3ccccc3NC2=O)n1-c1ccc(F)cc1)[NH+](C)C ZINC001458733768 1067124748 /nfs/dbraw/zinc/12/47/48/1067124748.db2.gz LDXXQGZZVQOAIC-AUUYWEPGSA-N 1 2 457.600 4.624 20 0 JJADLO C[C@H](Sc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1)c1ncc(Br)cn1 ZINC001458752339 1067131672 /nfs/dbraw/zinc/13/16/72/1067131672.db2.gz OYRRAZFFUXXDGC-HNNXBMFYSA-N 1 2 459.417 4.659 20 0 JJADLO COC(=O)c1cc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccc(F)c2)ccc1N1CCCCC1 ZINC001451742500 1067190949 /nfs/dbraw/zinc/19/09/49/1067190949.db2.gz YMGZLTIHJIZNHJ-DEOSSOPVSA-N 1 2 453.558 4.596 20 0 JJADLO COC(=O)c1cc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2cccc(F)c2)ccc1N1CCCCC1 ZINC001451742500 1067190960 /nfs/dbraw/zinc/19/09/60/1067190960.db2.gz YMGZLTIHJIZNHJ-DEOSSOPVSA-N 1 2 453.558 4.596 20 0 JJADLO COC(=O)c1cc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2cccc(F)c2)ccc1N1CCCCC1 ZINC001451742507 1067190998 /nfs/dbraw/zinc/19/09/98/1067190998.db2.gz YMGZLTIHJIZNHJ-XMMPIXPASA-N 1 2 453.558 4.596 20 0 JJADLO COC(=O)c1cc(NC(=O)[C@H]2CCCC[N@H+]2Cc2cccc(F)c2)ccc1N1CCCCC1 ZINC001451742507 1067191002 /nfs/dbraw/zinc/19/10/02/1067191002.db2.gz YMGZLTIHJIZNHJ-XMMPIXPASA-N 1 2 453.558 4.596 20 0 JJADLO CCC(CC)NC(=O)c1nnc(N(Cc2cccs2)C(C)C)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001545845618 1067198022 /nfs/dbraw/zinc/19/80/22/1067198022.db2.gz MJGICJYPDZABMA-LJQANCHMSA-N 1 2 483.686 4.756 20 0 JJADLO CC[NH+](CC)Cc1csc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(Cl)c2)n1 ZINC001452541606 1067233241 /nfs/dbraw/zinc/23/32/41/1067233241.db2.gz DLAVKDDZXFRBPT-QGZVFWFLSA-N 1 2 453.008 4.843 20 0 JJADLO CC(C)(C)OC(=O)N1Cc2ccccc2[C@H]1CC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC001546105789 1067236268 /nfs/dbraw/zinc/23/62/68/1067236268.db2.gz WHMJZXVXJWLDHC-HSZRJFAPSA-N 1 2 452.599 4.784 20 0 JJADLO Cc1ccc(N(C)C(C)C)c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)c1 ZINC001459040920 1067236860 /nfs/dbraw/zinc/23/68/60/1067236860.db2.gz BRHRSZJDIGVBLP-UHFFFAOYSA-N 1 2 459.432 4.606 20 0 JJADLO C[NH+]1CCN(c2ccc(NC(=O)c3ccc4ccc(Cl)cc4n3)cc2Br)CC1 ZINC001459044355 1067237787 /nfs/dbraw/zinc/23/77/87/1067237787.db2.gz MXTCIKPGZYRRMH-UHFFFAOYSA-N 1 2 459.775 4.655 20 0 JJADLO C[C@@H](Cc1ccccc1Cl)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC001459046319 1067238299 /nfs/dbraw/zinc/23/82/99/1067238299.db2.gz UWLIOKDPZYTJIK-HNNXBMFYSA-N 1 2 450.808 4.672 20 0 JJADLO O=C(NCCc1ccc(F)cc1)[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc(OC(F)F)cc1 ZINC001459307588 1067289805 /nfs/dbraw/zinc/28/98/05/1067289805.db2.gz DPNDJPAXFMWHTJ-XMMPIXPASA-N 1 2 454.492 4.713 20 0 JJADLO O=C(NCCc1ccc(F)cc1)[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(OC(F)F)cc1 ZINC001459307588 1067289814 /nfs/dbraw/zinc/28/98/14/1067289814.db2.gz DPNDJPAXFMWHTJ-XMMPIXPASA-N 1 2 454.492 4.713 20 0 JJADLO COc1ccc(NC(=O)c2ccccc2NC(=O)C[N@H+](Cc2ccccc2OC)C2CC2)cc1 ZINC001459315722 1067291705 /nfs/dbraw/zinc/29/17/05/1067291705.db2.gz XIZJYEZMEJWQNK-UHFFFAOYSA-N 1 2 459.546 4.559 20 0 JJADLO COc1ccc(NC(=O)c2ccccc2NC(=O)C[N@@H+](Cc2ccccc2OC)C2CC2)cc1 ZINC001459315722 1067291715 /nfs/dbraw/zinc/29/17/15/1067291715.db2.gz XIZJYEZMEJWQNK-UHFFFAOYSA-N 1 2 459.546 4.559 20 0 JJADLO C[N@H+](CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC001459346751 1067299291 /nfs/dbraw/zinc/29/92/91/1067299291.db2.gz HHJHEBQGGKDEMY-RBBKRZOGSA-N 1 2 453.385 4.850 20 0 JJADLO C[N@@H+](CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC001459346751 1067299307 /nfs/dbraw/zinc/29/93/07/1067299307.db2.gz HHJHEBQGGKDEMY-RBBKRZOGSA-N 1 2 453.385 4.850 20 0 JJADLO C[N@H+](CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC001459346747 1067299612 /nfs/dbraw/zinc/29/96/12/1067299612.db2.gz HHJHEBQGGKDEMY-IRLDBZIGSA-N 1 2 453.385 4.850 20 0 JJADLO C[N@@H+](CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC001459346747 1067299622 /nfs/dbraw/zinc/29/96/22/1067299622.db2.gz HHJHEBQGGKDEMY-IRLDBZIGSA-N 1 2 453.385 4.850 20 0 JJADLO CCC1(CC)CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001546108451 1067308645 /nfs/dbraw/zinc/30/86/45/1067308645.db2.gz BQLPFOKFCFTOEL-NQIIRXRSSA-N 1 2 461.601 4.770 20 0 JJADLO CCCCCCc1ccc(-c2csc(NC(=O)[C@@H](C)[NH+]3CCC(NC(C)=O)CC3)n2)cc1 ZINC001459394214 1067311774 /nfs/dbraw/zinc/31/17/74/1067311774.db2.gz QLPPKMZXSGUQBK-GOSISDBHSA-N 1 2 456.656 4.860 20 0 JJADLO Cc1cc(C)c(-c2csc(NC(=O)C[N@@H+]3CC[C@@H](CNC(=O)OC(C)(C)C)C3)n2)c(C)c1 ZINC001459411830 1067316834 /nfs/dbraw/zinc/31/68/34/1067316834.db2.gz KICXHOIKAJOLMY-SFHVURJKSA-N 1 2 458.628 4.520 20 0 JJADLO Cc1cc(C)c(-c2csc(NC(=O)C[N@H+]3CC[C@@H](CNC(=O)OC(C)(C)C)C3)n2)c(C)c1 ZINC001459411830 1067316843 /nfs/dbraw/zinc/31/68/43/1067316843.db2.gz KICXHOIKAJOLMY-SFHVURJKSA-N 1 2 458.628 4.520 20 0 JJADLO COC(=O)c1ccc(Br)c(C[N@@H+]2CCCC[C@@H]2[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC001459412945 1067317115 /nfs/dbraw/zinc/31/71/15/1067317115.db2.gz CLXZBGFFHVXNJX-RDTXWAMCSA-N 1 2 455.393 4.503 20 0 JJADLO COC(=O)c1ccc(Br)c(C[N@H+]2CCCC[C@@H]2[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC001459412945 1067317127 /nfs/dbraw/zinc/31/71/27/1067317127.db2.gz CLXZBGFFHVXNJX-RDTXWAMCSA-N 1 2 455.393 4.503 20 0 JJADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2ccc(NC(=O)CC(C)C)c(C)c2)[C@H](C)C1 ZINC001459418257 1067319653 /nfs/dbraw/zinc/31/96/53/1067319653.db2.gz YKTKFTVWFZCCOH-OAQYLSRUSA-N 1 2 451.611 4.725 20 0 JJADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2ccc(NC(=O)CC(C)C)c(C)c2)[C@H](C)C1 ZINC001459418257 1067319666 /nfs/dbraw/zinc/31/96/66/1067319666.db2.gz YKTKFTVWFZCCOH-OAQYLSRUSA-N 1 2 451.611 4.725 20 0 JJADLO CC[C@]1(C)CC[C@H](Cn2c(CC(C)C)nnc2N2CC[NH+](Cc3cccc(Cl)c3)CC2)O1 ZINC001546055345 1067331965 /nfs/dbraw/zinc/33/19/65/1067331965.db2.gz ZTCDYSYSHISDGS-RCZVLFRGSA-N 1 2 460.066 4.800 20 0 JJADLO O=C(C[N@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1)NCCC1CCCCC1 ZINC001459503407 1067339768 /nfs/dbraw/zinc/33/97/68/1067339768.db2.gz OLRQVJJFQCINKY-UHFFFAOYSA-N 1 2 452.574 4.914 20 0 JJADLO O=C(C[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1)NCCC1CCCCC1 ZINC001459503407 1067339777 /nfs/dbraw/zinc/33/97/77/1067339777.db2.gz OLRQVJJFQCINKY-UHFFFAOYSA-N 1 2 452.574 4.914 20 0 JJADLO C[C@H](c1nc(-c2cccs2)no1)N1CC[NH+](Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC001459505953 1067340364 /nfs/dbraw/zinc/34/03/64/1067340364.db2.gz XRJJEWFQFJYBSU-OAHLLOKOSA-N 1 2 452.502 4.618 20 0 JJADLO CCCc1ccc(-c2csc(NC(=O)C[N@@H+]3CCC[C@@H](CNC(=O)C(C)(C)C)C3)n2)cc1 ZINC001459520851 1067343515 /nfs/dbraw/zinc/34/35/15/1067343515.db2.gz YAPVWPFPBOVPMM-IBGZPJMESA-N 1 2 456.656 4.575 20 0 JJADLO CCCc1ccc(-c2csc(NC(=O)C[N@H+]3CCC[C@@H](CNC(=O)C(C)(C)C)C3)n2)cc1 ZINC001459520851 1067343527 /nfs/dbraw/zinc/34/35/27/1067343527.db2.gz YAPVWPFPBOVPMM-IBGZPJMESA-N 1 2 456.656 4.575 20 0 JJADLO CC(C)CC1(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccc(I)cc2)CCC1 ZINC001459546494 1067348456 /nfs/dbraw/zinc/34/84/56/1067348456.db2.gz GTTOCUUEIIVAPS-IBGZPJMESA-N 1 2 454.396 4.588 20 0 JJADLO CC(C)CC1(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccc(I)cc2)CCC1 ZINC001459546494 1067348463 /nfs/dbraw/zinc/34/84/63/1067348463.db2.gz GTTOCUUEIIVAPS-IBGZPJMESA-N 1 2 454.396 4.588 20 0 JJADLO COC(=O)c1cc(Br)c(C[N@@H+]2CCSC[C@@H]2c2ccc(C)cc2)cc1OC ZINC001459552460 1067349379 /nfs/dbraw/zinc/34/93/79/1067349379.db2.gz DTZPGYMOJOOTOG-LJQANCHMSA-N 1 2 450.398 4.843 20 0 JJADLO COC(=O)c1cc(Br)c(C[N@H+]2CCSC[C@@H]2c2ccc(C)cc2)cc1OC ZINC001459552460 1067349384 /nfs/dbraw/zinc/34/93/84/1067349384.db2.gz DTZPGYMOJOOTOG-LJQANCHMSA-N 1 2 450.398 4.843 20 0 JJADLO CO[C@@H](C[NH+]1CCN(C(=O)[C@H](C)Oc2ccc(C)cc2Cl)CC1)c1ccc(Cl)cc1 ZINC001459621810 1067366243 /nfs/dbraw/zinc/36/62/43/1067366243.db2.gz JSRAOVBSKDHAKB-JTSKRJEESA-N 1 2 451.394 4.601 20 0 JJADLO COC(=O)[C@@H](c1ccccc1)[N@H+](C)C[C@@H](O)c1ccc(-c2ccc(Br)cc2)cc1 ZINC001459710210 1067391295 /nfs/dbraw/zinc/39/12/95/1067391295.db2.gz OJNNQGHLGRVPBG-DHIUTWEWSA-N 1 2 454.364 4.996 20 0 JJADLO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)C[C@@H](O)c1ccc(-c2ccc(Br)cc2)cc1 ZINC001459710210 1067391305 /nfs/dbraw/zinc/39/13/05/1067391305.db2.gz OJNNQGHLGRVPBG-DHIUTWEWSA-N 1 2 454.364 4.996 20 0 JJADLO O=C(C[N@@H+]1CCc2cc(-c3ccccc3)oc2C1)Nc1ccc(I)cc1 ZINC001459734960 1067399388 /nfs/dbraw/zinc/39/93/88/1067399388.db2.gz OJNFWCAYJHFWOW-UHFFFAOYSA-N 1 2 458.299 4.548 20 0 JJADLO O=C(C[N@H+]1CCc2cc(-c3ccccc3)oc2C1)Nc1ccc(I)cc1 ZINC001459734960 1067399397 /nfs/dbraw/zinc/39/93/97/1067399397.db2.gz OJNFWCAYJHFWOW-UHFFFAOYSA-N 1 2 458.299 4.548 20 0 JJADLO CC(C)[C@@H]1CN(C(=O)C[N@H+](CCNC(=O)OC(C)(C)C)Cc2ccccc2)c2ccccc21 ZINC001459757110 1067409484 /nfs/dbraw/zinc/40/94/84/1067409484.db2.gz XVZPFLASDBMZHK-QHCPKHFHSA-N 1 2 451.611 4.800 20 0 JJADLO CC(C)[C@@H]1CN(C(=O)C[N@@H+](CCNC(=O)OC(C)(C)C)Cc2ccccc2)c2ccccc21 ZINC001459757110 1067409486 /nfs/dbraw/zinc/40/94/86/1067409486.db2.gz XVZPFLASDBMZHK-QHCPKHFHSA-N 1 2 451.611 4.800 20 0 JJADLO O=C(OCc1ccccc1)N1CC[NH+](Cc2cccc(OCc3ccc(F)cc3F)c2)CC1 ZINC001459786277 1067421588 /nfs/dbraw/zinc/42/15/88/1067421588.db2.gz WQJJKZAMGVEYHQ-UHFFFAOYSA-N 1 2 452.501 4.998 20 0 JJADLO CCOc1ccc([C@@H](C)NC(=O)C[NH2+][C@H](c2cccc(Cl)c2)c2ccccn2)cc1OC ZINC001459798439 1067428628 /nfs/dbraw/zinc/42/86/28/1067428628.db2.gz RPOSUWCSXKTAGW-CRICUBBOSA-N 1 2 453.970 4.699 20 0 JJADLO Cc1ccc(CNC(=O)c2ccccc2NC(=O)C[N@H+]2CC=C(c3cccc(C)c3)CC2)cc1 ZINC001459819578 1067437601 /nfs/dbraw/zinc/43/76/01/1067437601.db2.gz XFBSOVWGRRFSHF-UHFFFAOYSA-N 1 2 453.586 4.961 20 0 JJADLO Cc1ccc(CNC(=O)c2ccccc2NC(=O)C[N@@H+]2CC=C(c3cccc(C)c3)CC2)cc1 ZINC001459819578 1067437604 /nfs/dbraw/zinc/43/76/04/1067437604.db2.gz XFBSOVWGRRFSHF-UHFFFAOYSA-N 1 2 453.586 4.961 20 0 JJADLO CC(=O)N(c1nc(C[NH2+][C@@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cs1)C1CC1 ZINC001459834494 1067445444 /nfs/dbraw/zinc/44/54/44/1067445444.db2.gz GBEZLFZDBZOOCR-HNNXBMFYSA-N 1 2 452.555 4.901 20 0 JJADLO CCn1c2nnc(C[NH2+][C@H](CC(C)C)c3cc(Cl)ccc3OC)n2c2ccccc2c1=O ZINC001459843036 1067450130 /nfs/dbraw/zinc/45/01/30/1067450130.db2.gz JTMCERNUEBLELC-LJQANCHMSA-N 1 2 453.974 4.603 20 0 JJADLO O[C@@H](COc1cc(Cl)cc(Cl)c1)C[N@@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001459928372 1067495438 /nfs/dbraw/zinc/49/54/38/1067495438.db2.gz BPRSPMHNQLPMPN-IEBWSBKVSA-N 1 2 450.284 4.825 20 0 JJADLO O[C@@H](COc1cc(Cl)cc(Cl)c1)C[N@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001459928372 1067495442 /nfs/dbraw/zinc/49/54/42/1067495442.db2.gz BPRSPMHNQLPMPN-IEBWSBKVSA-N 1 2 450.284 4.825 20 0 JJADLO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+]2CC(=O)N[C@@H](c2ccccc2)C2CCCCC2)C1 ZINC001459944048 1067501406 /nfs/dbraw/zinc/50/14/06/1067501406.db2.gz PIXRTKIWIUOLIC-IGKIAQTJSA-N 1 2 455.643 4.900 20 0 JJADLO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+]2CC(=O)N[C@@H](c2ccccc2)C2CCCCC2)C1 ZINC001459944048 1067501415 /nfs/dbraw/zinc/50/14/15/1067501415.db2.gz PIXRTKIWIUOLIC-IGKIAQTJSA-N 1 2 455.643 4.900 20 0 JJADLO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+]2CC(=O)N[C@H](c2ccccc2)C2CCCCC2)C1 ZINC001459944061 1067501531 /nfs/dbraw/zinc/50/15/31/1067501531.db2.gz PIXRTKIWIUOLIC-SQHAQQRYSA-N 1 2 455.643 4.900 20 0 JJADLO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+]2CC(=O)N[C@H](c2ccccc2)C2CCCCC2)C1 ZINC001459944061 1067501539 /nfs/dbraw/zinc/50/15/39/1067501539.db2.gz PIXRTKIWIUOLIC-SQHAQQRYSA-N 1 2 455.643 4.900 20 0 JJADLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC001459972490 1067511013 /nfs/dbraw/zinc/51/10/13/1067511013.db2.gz WJWSIPBAQGNKNZ-APWZRJJASA-N 1 2 456.414 4.646 20 0 JJADLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC001459972490 1067511020 /nfs/dbraw/zinc/51/10/20/1067511020.db2.gz WJWSIPBAQGNKNZ-APWZRJJASA-N 1 2 456.414 4.646 20 0 JJADLO CC(C)(C)Cc1nc(-c2cccc(C(=O)N(CCn3cc[nH+]c3)C3CCSCC3)c2)no1 ZINC001459991792 1067518076 /nfs/dbraw/zinc/51/80/76/1067518076.db2.gz MSNJFDRPPNXVSY-UHFFFAOYSA-N 1 2 453.612 4.560 20 0 JJADLO CCOC(=O)C1=C(C[N@H+](CC=C(C)C)Cc2ccc(Cl)cc2)NC(=O)N[C@H]1c1ccco1 ZINC001460009657 1067525678 /nfs/dbraw/zinc/52/56/78/1067525678.db2.gz VJCXHUBHLUALGM-QFIPXVFZSA-N 1 2 457.958 4.573 20 0 JJADLO CCOC(=O)C1=C(C[N@@H+](CC=C(C)C)Cc2ccc(Cl)cc2)NC(=O)N[C@H]1c1ccco1 ZINC001460009657 1067525686 /nfs/dbraw/zinc/52/56/86/1067525686.db2.gz VJCXHUBHLUALGM-QFIPXVFZSA-N 1 2 457.958 4.573 20 0 JJADLO COc1cc(Br)c(OC)c(C(=O)Oc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1 ZINC001460012565 1067526726 /nfs/dbraw/zinc/52/67/26/1067526726.db2.gz APTDCRNWSPWAKO-UHFFFAOYSA-N 1 2 457.324 4.885 20 0 JJADLO COC(=O)c1ccc2[nH]c(C[NH+]3CCC(F)(c4ccccc4OC(F)(F)F)CC3)nc2c1 ZINC001460014271 1067527799 /nfs/dbraw/zinc/52/77/99/1067527799.db2.gz CHASHUNIMOUYEH-UHFFFAOYSA-N 1 2 451.420 4.709 20 0 JJADLO Cc1cc([C@H]2CCC[N@@H+]2CCCOc2ccc(S(C)(=O)=O)cc2)ccc1Br ZINC001460025455 1067532789 /nfs/dbraw/zinc/53/27/89/1067532789.db2.gz VKDPDIDMPHCWQJ-OAQYLSRUSA-N 1 2 452.414 4.767 20 0 JJADLO Cc1cc([C@H]2CCC[N@H+]2CCCOc2ccc(S(C)(=O)=O)cc2)ccc1Br ZINC001460025455 1067532794 /nfs/dbraw/zinc/53/27/94/1067532794.db2.gz VKDPDIDMPHCWQJ-OAQYLSRUSA-N 1 2 452.414 4.767 20 0 JJADLO CC1CCN(Cc2csc(NC(=O)C[N@H+](C)CCOc3ccccc3C(C)(C)C)n2)CC1 ZINC001460028814 1067533674 /nfs/dbraw/zinc/53/36/74/1067533674.db2.gz FLCJZBZPPDEWND-UHFFFAOYSA-N 1 2 458.672 4.622 20 0 JJADLO CC1CCN(Cc2csc(NC(=O)C[N@@H+](C)CCOc3ccccc3C(C)(C)C)n2)CC1 ZINC001460028814 1067533681 /nfs/dbraw/zinc/53/36/81/1067533681.db2.gz FLCJZBZPPDEWND-UHFFFAOYSA-N 1 2 458.672 4.622 20 0 JJADLO O=C(C[NH2+][C@H](CO)c1ccccc1OC(F)(F)F)Nc1ccc(Cl)cc1C(F)(F)F ZINC001460055206 1067540691 /nfs/dbraw/zinc/54/06/91/1067540691.db2.gz MVKHEHOHRNCDBZ-CQSZACIVSA-N 1 2 456.770 4.519 20 0 JJADLO OC[C@H]([NH2+]Cc1cc(Br)ccc1OC(F)F)c1ccccc1OC(F)(F)F ZINC001460057695 1067541465 /nfs/dbraw/zinc/54/14/65/1067541465.db2.gz YZFNIMLCKGEADC-ZDUSSCGKSA-N 1 2 456.205 4.772 20 0 JJADLO COc1ccc([C@H]2CCCCCN2C(=O)C[N@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)cc1 ZINC001460066834 1067544005 /nfs/dbraw/zinc/54/40/05/1067544005.db2.gz TYMARJLKXBEGHJ-NIRIFSCTSA-N 1 2 454.636 4.640 20 0 JJADLO COc1ccc([C@H]2CCCCCN2C(=O)C[N@@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)cc1 ZINC001460066834 1067544009 /nfs/dbraw/zinc/54/40/09/1067544009.db2.gz TYMARJLKXBEGHJ-NIRIFSCTSA-N 1 2 454.636 4.640 20 0 JJADLO CCN(CC)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1coc(-c2ccc(Br)cc2)n1 ZINC001460070538 1067545685 /nfs/dbraw/zinc/54/56/85/1067545685.db2.gz QGHNMJJYMXCQRC-IBGZPJMESA-N 1 2 450.377 4.937 20 0 JJADLO CCN(CC)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1coc(-c2ccc(Br)cc2)n1 ZINC001460070538 1067545692 /nfs/dbraw/zinc/54/56/92/1067545692.db2.gz QGHNMJJYMXCQRC-IBGZPJMESA-N 1 2 450.377 4.937 20 0 JJADLO CCCCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1coc(-c2ccc(Br)cc2)n1 ZINC001460089945 1067551741 /nfs/dbraw/zinc/55/17/41/1067551741.db2.gz KCDLBWRRMPVCBN-IBGZPJMESA-N 1 2 450.377 4.985 20 0 JJADLO CCCCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1coc(-c2ccc(Br)cc2)n1 ZINC001460089945 1067551749 /nfs/dbraw/zinc/55/17/49/1067551749.db2.gz KCDLBWRRMPVCBN-IBGZPJMESA-N 1 2 450.377 4.985 20 0 JJADLO C[C@H](c1nc2cc(Cl)ccc2[nH]1)[N@H+](C)CCNC(=O)NC(C)(C)COCc1ccccc1 ZINC001460122646 1067559775 /nfs/dbraw/zinc/55/97/75/1067559775.db2.gz IIUWKMCVHIZRMB-QGZVFWFLSA-N 1 2 458.006 4.504 20 0 JJADLO C[C@H](c1nc2cc(Cl)ccc2[nH]1)[N@@H+](C)CCNC(=O)NC(C)(C)COCc1ccccc1 ZINC001460122646 1067559781 /nfs/dbraw/zinc/55/97/81/1067559781.db2.gz IIUWKMCVHIZRMB-QGZVFWFLSA-N 1 2 458.006 4.504 20 0 JJADLO CCc1ccc(NC(=O)c2nnc(C[NH2+][C@H]3C[C@@H](OCc4ccccc4)C3(C)C)s2)cc1 ZINC001460128744 1067560897 /nfs/dbraw/zinc/56/08/97/1067560897.db2.gz YIAIUCGPUCNFIR-LEWJYISDSA-N 1 2 450.608 4.826 20 0 JJADLO CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c3ccccn3)C1)C[C@H](C)CC2 ZINC001460142274 1067563440 /nfs/dbraw/zinc/56/34/40/1067563440.db2.gz BCXBKZKMMOQOLG-FGTMMUONSA-N 1 2 455.624 4.651 20 0 JJADLO CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c3ccccn3)C1)C[C@H](C)CC2 ZINC001460142274 1067563444 /nfs/dbraw/zinc/56/34/44/1067563444.db2.gz BCXBKZKMMOQOLG-FGTMMUONSA-N 1 2 455.624 4.651 20 0 JJADLO CC(C)n1cc(C2=CCC[N@@H+]([C@H](C)C(=O)Nc3ccccc3C(=O)c3ccccc3)CC2)nn1 ZINC001460148085 1067564964 /nfs/dbraw/zinc/56/49/64/1067564964.db2.gz MYRHBQUXOLPBFA-HXUWFJFHSA-N 1 2 457.578 4.596 20 0 JJADLO CC(C)n1cc(C2=CCC[N@H+]([C@H](C)C(=O)Nc3ccccc3C(=O)c3ccccc3)CC2)nn1 ZINC001460148085 1067564971 /nfs/dbraw/zinc/56/49/71/1067564971.db2.gz MYRHBQUXOLPBFA-HXUWFJFHSA-N 1 2 457.578 4.596 20 0 JJADLO CCOCc1ccccc1CNC(=O)C[N@@H+]1CCCC[C@@H]1Cc1ccccc1Br ZINC001460161271 1067567595 /nfs/dbraw/zinc/56/75/95/1067567595.db2.gz KYSKDPDNBJTYRG-JOCHJYFZSA-N 1 2 459.428 4.699 20 0 JJADLO CCOCc1ccccc1CNC(=O)C[N@H+]1CCCC[C@@H]1Cc1ccccc1Br ZINC001460161271 1067567601 /nfs/dbraw/zinc/56/76/01/1067567601.db2.gz KYSKDPDNBJTYRG-JOCHJYFZSA-N 1 2 459.428 4.699 20 0 JJADLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CC(=O)Nc3ccccc3Oc3ccccc3)CC[C@H]21 ZINC001460184448 1067574127 /nfs/dbraw/zinc/57/41/27/1067574127.db2.gz XWVPOEQTKFUVAM-DENIHFKCSA-N 1 2 451.567 4.749 20 0 JJADLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CC(=O)Nc3ccccc3Oc3ccccc3)CC[C@H]21 ZINC001460184448 1067574134 /nfs/dbraw/zinc/57/41/34/1067574134.db2.gz XWVPOEQTKFUVAM-DENIHFKCSA-N 1 2 451.567 4.749 20 0 JJADLO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCN(c2ccc(Cl)c(F)c2)C[C@@H]1C ZINC001460193472 1067576023 /nfs/dbraw/zinc/57/60/23/1067576023.db2.gz IWYQKFVAXFMKNL-UONOGXRCSA-N 1 2 454.771 4.779 20 0 JJADLO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CCN(c2ccc(Cl)c(F)c2)C[C@@H]1C ZINC001460193472 1067576029 /nfs/dbraw/zinc/57/60/29/1067576029.db2.gz IWYQKFVAXFMKNL-UONOGXRCSA-N 1 2 454.771 4.779 20 0 JJADLO Cc1nc(-c2cccc(NC(=O)C[N@@H+]3CCCC[C@@H]3COC(=O)NC3CCCC3)c2)cs1 ZINC001460197048 1067576966 /nfs/dbraw/zinc/57/69/66/1067576966.db2.gz NOKLJGUKMZWUCA-OAQYLSRUSA-N 1 2 456.612 4.580 20 0 JJADLO Cc1nc(-c2cccc(NC(=O)C[N@H+]3CCCC[C@@H]3COC(=O)NC3CCCC3)c2)cs1 ZINC001460197048 1067576972 /nfs/dbraw/zinc/57/69/72/1067576972.db2.gz NOKLJGUKMZWUCA-OAQYLSRUSA-N 1 2 456.612 4.580 20 0 JJADLO C[N@@H+](CC(=O)Nc1cccc(Oc2ccccc2)c1)C[C@H](O)c1ccccc1Br ZINC001460244157 1067589908 /nfs/dbraw/zinc/58/99/08/1067589908.db2.gz FYEJLWKBTFEZES-QFIPXVFZSA-N 1 2 455.352 4.845 20 0 JJADLO C[N@H+](CC(=O)Nc1cccc(Oc2ccccc2)c1)C[C@H](O)c1ccccc1Br ZINC001460244157 1067589917 /nfs/dbraw/zinc/58/99/17/1067589917.db2.gz FYEJLWKBTFEZES-QFIPXVFZSA-N 1 2 455.352 4.845 20 0 JJADLO COc1cc2c(cc1NC(=O)C[N@H+]1C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C1)oc1ccccc12 ZINC001460251701 1067591543 /nfs/dbraw/zinc/59/15/43/1067591543.db2.gz AOYDXFPQDYMQPT-DLBZAZTESA-N 1 2 452.551 4.833 20 0 JJADLO COc1cc2c(cc1NC(=O)C[N@@H+]1C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C1)oc1ccccc12 ZINC001460251701 1067591550 /nfs/dbraw/zinc/59/15/50/1067591550.db2.gz AOYDXFPQDYMQPT-DLBZAZTESA-N 1 2 452.551 4.833 20 0 JJADLO CN(C)c1[nH+]ccc2cc(NC(=O)c3ccc(Cl)c(I)c3)ccc21 ZINC001460271238 1067594944 /nfs/dbraw/zinc/59/49/44/1067594944.db2.gz GTQJHIDMCCMDPN-UHFFFAOYSA-N 1 2 451.695 4.811 20 0 JJADLO O=C(C[N@H+]1CCC[C@@H]1Cc1cc(F)ccc1F)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC001460293107 1067600042 /nfs/dbraw/zinc/60/00/42/1067600042.db2.gz BMQOMURAVMMJED-HXUWFJFHSA-N 1 2 455.530 4.924 20 0 JJADLO O=C(C[N@@H+]1CCC[C@@H]1Cc1cc(F)ccc1F)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC001460293107 1067600044 /nfs/dbraw/zinc/60/00/44/1067600044.db2.gz BMQOMURAVMMJED-HXUWFJFHSA-N 1 2 455.530 4.924 20 0 JJADLO Cc1cc(C)c(-c2csc(NC(=O)C[N@H+]3CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C3)n2)cc1C ZINC001460293211 1067600644 /nfs/dbraw/zinc/60/06/44/1067600644.db2.gz FGMMZWHGQZVRHN-YWZLYKJASA-N 1 2 457.640 4.974 20 0 JJADLO Cc1cc(C)c(-c2csc(NC(=O)C[N@@H+]3CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C3)n2)cc1C ZINC001460293211 1067600646 /nfs/dbraw/zinc/60/06/46/1067600646.db2.gz FGMMZWHGQZVRHN-YWZLYKJASA-N 1 2 457.640 4.974 20 0 JJADLO O=C(Nc1ccccc1)c1cccc(C[N@H+]2CCN(C(=O)C(F)(F)F)C3(CCCCC3)C2)c1 ZINC001460316642 1067606218 /nfs/dbraw/zinc/60/62/18/1067606218.db2.gz HDFNURWUDMJDFT-UHFFFAOYSA-N 1 2 459.512 4.848 20 0 JJADLO O=C(Nc1ccccc1)c1cccc(C[N@@H+]2CCN(C(=O)C(F)(F)F)C3(CCCCC3)C2)c1 ZINC001460316642 1067606224 /nfs/dbraw/zinc/60/62/24/1067606224.db2.gz HDFNURWUDMJDFT-UHFFFAOYSA-N 1 2 459.512 4.848 20 0 JJADLO CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC1=O ZINC001460344641 1067612888 /nfs/dbraw/zinc/61/28/88/1067612888.db2.gz QUSZLNFTHCMXHP-QZTJIDSGSA-N 1 2 450.970 4.709 20 0 JJADLO Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC001460417090 1067631399 /nfs/dbraw/zinc/63/13/99/1067631399.db2.gz MHRMCXGJLFXWBN-PEYYIBSZSA-N 1 2 464.629 4.803 20 0 JJADLO Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC001460417090 1067631402 /nfs/dbraw/zinc/63/14/02/1067631402.db2.gz MHRMCXGJLFXWBN-PEYYIBSZSA-N 1 2 464.629 4.803 20 0 JJADLO COc1ccc2c(c1)OC[C@@H](C(=O)N1CC[N@H+](Cc3ccc(Cl)cc3)C[C@@H]1CC(C)C)C2 ZINC001460435619 1067634338 /nfs/dbraw/zinc/63/43/38/1067634338.db2.gz ILSIURNLDQJEPA-GMAHTHKFSA-N 1 2 457.014 4.659 20 0 JJADLO COc1ccc2c(c1)OC[C@@H](C(=O)N1CC[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]1CC(C)C)C2 ZINC001460435619 1067634343 /nfs/dbraw/zinc/63/43/43/1067634343.db2.gz ILSIURNLDQJEPA-GMAHTHKFSA-N 1 2 457.014 4.659 20 0 JJADLO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](Cc2nnc(-c3ccccc3)s2)CC[C@@H]1C(F)(F)F ZINC001460449871 1067636503 /nfs/dbraw/zinc/63/65/03/1067636503.db2.gz JCFMPSGYZHMYEJ-CVEARBPZSA-N 1 2 456.534 4.730 20 0 JJADLO CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](Cc2nnc(-c3ccccc3)s2)CC[C@@H]1C(F)(F)F ZINC001460449871 1067636508 /nfs/dbraw/zinc/63/65/08/1067636508.db2.gz JCFMPSGYZHMYEJ-CVEARBPZSA-N 1 2 456.534 4.730 20 0 JJADLO O=C(N[C@@H]1C[N@H+](Cc2cccc(OCC(F)(F)F)c2)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001460456387 1067637493 /nfs/dbraw/zinc/63/74/93/1067637493.db2.gz AFFAKTVKPSQSQE-RTBURBONSA-N 1 2 460.418 4.664 20 0 JJADLO O=C(N[C@@H]1C[N@@H+](Cc2cccc(OCC(F)(F)F)c2)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001460456387 1067637497 /nfs/dbraw/zinc/63/74/97/1067637497.db2.gz AFFAKTVKPSQSQE-RTBURBONSA-N 1 2 460.418 4.664 20 0 JJADLO C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001460456172 1067637555 /nfs/dbraw/zinc/63/75/55/1067637555.db2.gz LDSZUKJKKPRPBE-XLIONFOSSA-N 1 2 476.017 4.841 20 0 JJADLO C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001460456172 1067637558 /nfs/dbraw/zinc/63/75/58/1067637558.db2.gz LDSZUKJKKPRPBE-XLIONFOSSA-N 1 2 476.017 4.841 20 0 JJADLO O=C(C[NH2+][C@H](CO)c1cccc(Cl)c1Cl)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC001460474696 1067640567 /nfs/dbraw/zinc/64/05/67/1067640567.db2.gz WBZGPKDFQALKKU-FYYLOGMGSA-N 1 2 455.385 4.791 20 0 JJADLO COCCN(C(C)=O)c1nc(C[N@@H+]2CCC[C@]2(C)Cc2ccccc2C(F)(F)F)cs1 ZINC001460482846 1067643267 /nfs/dbraw/zinc/64/32/67/1067643267.db2.gz HYGHNMNELCIQLQ-OAQYLSRUSA-N 1 2 455.546 4.758 20 0 JJADLO COCCN(C(C)=O)c1nc(C[N@H+]2CCC[C@]2(C)Cc2ccccc2C(F)(F)F)cs1 ZINC001460482846 1067643268 /nfs/dbraw/zinc/64/32/68/1067643268.db2.gz HYGHNMNELCIQLQ-OAQYLSRUSA-N 1 2 455.546 4.758 20 0 JJADLO O[C@@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CC[C@@H]1c1ccc(Br)cc1 ZINC001460512301 1067646722 /nfs/dbraw/zinc/64/67/22/1067646722.db2.gz MZFMLHPRYLFTHF-SJLPKXTDSA-N 1 2 459.153 4.537 20 0 JJADLO O[C@@H](COc1cc(F)cc(Br)c1)C[N@H+]1CC[C@@H]1c1ccc(Br)cc1 ZINC001460512301 1067646727 /nfs/dbraw/zinc/64/67/27/1067646727.db2.gz MZFMLHPRYLFTHF-SJLPKXTDSA-N 1 2 459.153 4.537 20 0 JJADLO CCOC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)C[N@H+](C)Cc1ccc(OC)cc1 ZINC001460615626 1067673618 /nfs/dbraw/zinc/67/36/18/1067673618.db2.gz BEDOUDAQXMEABZ-UHFFFAOYSA-N 1 2 452.576 4.979 20 0 JJADLO CCOC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)C[N@@H+](C)Cc1ccc(OC)cc1 ZINC001460615626 1067673621 /nfs/dbraw/zinc/67/36/21/1067673621.db2.gz BEDOUDAQXMEABZ-UHFFFAOYSA-N 1 2 452.576 4.979 20 0 JJADLO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@@H+]1CC[C@@](C)(NC(=O)C(F)(F)F)C1 ZINC001460667292 1067694071 /nfs/dbraw/zinc/69/40/71/1067694071.db2.gz RBFLHROULWONNI-QGZVFWFLSA-N 1 2 451.436 4.780 20 0 JJADLO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@H+]1CC[C@@](C)(NC(=O)C(F)(F)F)C1 ZINC001460667292 1067694076 /nfs/dbraw/zinc/69/40/76/1067694076.db2.gz RBFLHROULWONNI-QGZVFWFLSA-N 1 2 451.436 4.780 20 0 JJADLO O=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)NCc1ccccc1Cn1cc[nH+]c1 ZINC001460679422 1067698645 /nfs/dbraw/zinc/69/86/45/1067698645.db2.gz FAZYFBQQFHARRS-UHFFFAOYSA-N 1 2 459.933 4.511 20 0 JJADLO COC(=O)c1ccc2[nH]c(C[NH2+][C@H]3c4ccccc4N(C(=O)OC(C)(C)C)C3(C)C)nc2c1 ZINC001460695098 1067703255 /nfs/dbraw/zinc/70/32/55/1067703255.db2.gz MEGTYPBASJOSMQ-NRFANRHFSA-N 1 2 450.539 4.714 20 0 JJADLO COc1cc(-c2noc(C[NH2+]C(C)(C)c3ccc(C(F)(F)F)cc3)n2)cc(OC)c1OC ZINC001460700390 1067704447 /nfs/dbraw/zinc/70/44/47/1067704447.db2.gz PNEIQZOKAPEZLU-UHFFFAOYSA-N 1 2 451.445 4.806 20 0 JJADLO CC(C)(CNC(=O)c1cccnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1)C1=CCCC1 ZINC001460710880 1067706238 /nfs/dbraw/zinc/70/62/38/1067706238.db2.gz WREZSXOCQDTZSG-UHFFFAOYSA-N 1 2 453.030 4.924 20 0 JJADLO C[N@H+](CC(=O)N1CCOC(C)(C)C1)Cc1ccc(Cl)cc1Oc1ccc(Cl)c(F)c1 ZINC001460716408 1067708323 /nfs/dbraw/zinc/70/83/23/1067708323.db2.gz FSHYRGJUNBTJDQ-UHFFFAOYSA-N 1 2 455.357 4.994 20 0 JJADLO C[N@@H+](CC(=O)N1CCOC(C)(C)C1)Cc1ccc(Cl)cc1Oc1ccc(Cl)c(F)c1 ZINC001460716408 1067708332 /nfs/dbraw/zinc/70/83/32/1067708332.db2.gz FSHYRGJUNBTJDQ-UHFFFAOYSA-N 1 2 455.357 4.994 20 0 JJADLO Clc1ccc(-n2cc(C[NH2+][C@H]3CCOc4ccc(Br)cc43)nn2)cc1Cl ZINC001460751599 1067716197 /nfs/dbraw/zinc/71/61/97/1067716197.db2.gz SSNLPHUBXOWRBN-KRWDZBQOSA-N 1 2 454.155 4.950 20 0 JJADLO COCc1cccc(OCC2(C[N@H+](C)Cc3nnc4n3CCC[C@H]4C(F)(F)F)CCC2)c1 ZINC001460781315 1067722516 /nfs/dbraw/zinc/72/25/16/1067722516.db2.gz PSAOYFZKBHAWBY-LJQANCHMSA-N 1 2 452.521 4.545 20 0 JJADLO COCc1cccc(OCC2(C[N@@H+](C)Cc3nnc4n3CCC[C@H]4C(F)(F)F)CCC2)c1 ZINC001460781315 1067722519 /nfs/dbraw/zinc/72/25/19/1067722519.db2.gz PSAOYFZKBHAWBY-LJQANCHMSA-N 1 2 452.521 4.545 20 0 JJADLO CCOC(=O)C1(C(F)(F)F)CC[NH+](CC(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)CC1 ZINC001460860758 1067736450 /nfs/dbraw/zinc/73/64/50/1067736450.db2.gz OSYVQBVBPHFHJW-UHFFFAOYSA-N 1 2 454.533 4.509 20 0 JJADLO CC(C)(C)OC(=O)N1CCC(C[N@@H+]2CCOc3c(Cl)cc(Br)cc3C2)CC1 ZINC001460907736 1067746340 /nfs/dbraw/zinc/74/63/40/1067746340.db2.gz BQLGDPZTXDZKCN-UHFFFAOYSA-N 1 2 459.812 4.944 20 0 JJADLO CC(C)(C)OC(=O)N1CCC(C[N@H+]2CCOc3c(Cl)cc(Br)cc3C2)CC1 ZINC001460907736 1067746344 /nfs/dbraw/zinc/74/63/44/1067746344.db2.gz BQLGDPZTXDZKCN-UHFFFAOYSA-N 1 2 459.812 4.944 20 0 JJADLO COc1ccccc1N1CCC[N@H+](Cc2ccc(I)cc2Cl)CC1 ZINC001460929614 1067750102 /nfs/dbraw/zinc/75/01/02/1067750102.db2.gz LYXNLCJGQRGTMA-UHFFFAOYSA-N 1 2 456.755 4.666 20 0 JJADLO COc1ccccc1N1CCC[N@@H+](Cc2ccc(I)cc2Cl)CC1 ZINC001460929614 1067750110 /nfs/dbraw/zinc/75/01/10/1067750110.db2.gz LYXNLCJGQRGTMA-UHFFFAOYSA-N 1 2 456.755 4.666 20 0 JJADLO CC(C)(C)OC(=O)NCC12CCC(CC1)[N@@H+]2CC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC001460936719 1067750816 /nfs/dbraw/zinc/75/08/16/1067750816.db2.gz OHBNQEOINMFMEW-UHFFFAOYSA-N 1 2 456.631 4.527 20 0 JJADLO CC(C)(C)OC(=O)NCC12CCC(CC1)[N@H+]2CC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC001460936719 1067750826 /nfs/dbraw/zinc/75/08/26/1067750826.db2.gz OHBNQEOINMFMEW-UHFFFAOYSA-N 1 2 456.631 4.527 20 0 JJADLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1cccc(OCC(F)(F)F)c1Br ZINC001460979062 1067756079 /nfs/dbraw/zinc/75/60/79/1067756079.db2.gz WBLWBLOFVUFCMH-QEJZJMRPSA-N 1 2 450.295 4.696 20 0 JJADLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cccc(OCC(F)(F)F)c1Br ZINC001460979062 1067756084 /nfs/dbraw/zinc/75/60/84/1067756084.db2.gz WBLWBLOFVUFCMH-QEJZJMRPSA-N 1 2 450.295 4.696 20 0 JJADLO CCOC(=O)c1c(NC(=O)[C@@H](C)[N@@H+]2CCc3cc(CC)ccc3C2)sc2c1CC[C@@H](C)C2 ZINC001460979836 1067756137 /nfs/dbraw/zinc/75/61/37/1067756137.db2.gz VDSZDGAMLXFQPK-IAGOWNOFSA-N 1 2 454.636 4.997 20 0 JJADLO CCOC(=O)c1c(NC(=O)[C@@H](C)[N@H+]2CCc3cc(CC)ccc3C2)sc2c1CC[C@@H](C)C2 ZINC001460979836 1067756144 /nfs/dbraw/zinc/75/61/44/1067756144.db2.gz VDSZDGAMLXFQPK-IAGOWNOFSA-N 1 2 454.636 4.997 20 0 JJADLO Brc1cccc(-c2nc(CNC[C@@H]3C[N@H+](Cc4ccccc4)CCO3)cs2)c1 ZINC001461010563 1067761940 /nfs/dbraw/zinc/76/19/40/1067761940.db2.gz YWICUHDAYJOEPL-OAQYLSRUSA-N 1 2 458.425 4.563 20 0 JJADLO Brc1cccc(-c2nc(CNC[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)cs2)c1 ZINC001461010563 1067761945 /nfs/dbraw/zinc/76/19/45/1067761945.db2.gz YWICUHDAYJOEPL-OAQYLSRUSA-N 1 2 458.425 4.563 20 0 JJADLO Cc1occ(C(F)(F)F)c1C(=O)N(CCCn1cc[nH+]c1)c1ccc(Br)cn1 ZINC001461086430 1067778783 /nfs/dbraw/zinc/77/87/83/1067778783.db2.gz ITKAEFLBNGVJMR-UHFFFAOYSA-N 1 2 457.250 4.698 20 0 JJADLO O=C1C[C@@H]([NH2+]Cc2c(F)cncc2Br)CN1c1ccc(Oc2ccccc2)cc1 ZINC001461092936 1067780594 /nfs/dbraw/zinc/78/05/94/1067780594.db2.gz BCZUYGWJWOOFIZ-OAHLLOKOSA-N 1 2 456.315 4.671 20 0 JJADLO CC[C@H](C)[C@H]([NH2+]Cc1ncc(Br)s1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001461148280 1067789610 /nfs/dbraw/zinc/78/96/10/1067789610.db2.gz IGYGCFDSEOQMCZ-LIRRHRJNSA-N 1 2 451.434 4.649 20 0 JJADLO CCc1ccc([C@@H]([NH2+]Cc2cn3cc(Cl)ccc3n2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001461251555 1067810378 /nfs/dbraw/zinc/81/03/78/1067810378.db2.gz GUVUVIZYQIHCNQ-XMMPIXPASA-N 1 2 453.995 4.833 20 0 JJADLO COc1ccc([C@H]([NH2+]Cc2cccc3c2OC(C)(C)C3)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001461254198 1067811020 /nfs/dbraw/zinc/81/10/20/1067811020.db2.gz HKPLTIBDGSCFBY-DEOSSOPVSA-N 1 2 451.588 4.691 20 0 JJADLO COc1ccc([C@@H]([NH2+]Cc2cccc(OC3CC3)c2F)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001461259247 1067812503 /nfs/dbraw/zinc/81/25/03/1067812503.db2.gz ZRVOFEOWDBMIQQ-RUZDIDTESA-N 1 2 455.551 4.658 20 0 JJADLO CC(C)(C)OC(=O)N1CCN(c2ccc(NCc3cc(Br)cs3)[nH+]c2)CC1 ZINC001461307614 1067824704 /nfs/dbraw/zinc/82/47/04/1067824704.db2.gz LBUSLVDJFOQDMU-UHFFFAOYSA-N 1 2 453.406 4.575 20 0 JJADLO CC(=O)N(c1nc(C[NH2+]CCOc2ncc(Cl)cc2Cl)cs1)c1ccc(F)cc1 ZINC001461329940 1067830511 /nfs/dbraw/zinc/83/05/11/1067830511.db2.gz CBCJBNOWNMYYOF-UHFFFAOYSA-N 1 2 455.342 4.837 20 0 JJADLO COc1cccc(C[NH2+]Cc2cc(Cl)ccc2I)c1OC(F)F ZINC001461632477 1067906028 /nfs/dbraw/zinc/90/60/28/1067906028.db2.gz PDCKJXLVTQJRFE-UHFFFAOYSA-N 1 2 453.654 4.844 20 0 JJADLO CCCOc1c(CNc2[nH]c3ccc(I)cc3[nH+]2)cccc1OCC ZINC001461651487 1067910172 /nfs/dbraw/zinc/91/01/72/1067910172.db2.gz AWQXCMPSILCEIB-UHFFFAOYSA-N 1 2 451.308 4.967 20 0 JJADLO CCCOc1c(CNc2[nH]c3cc(I)ccc3[nH+]2)cccc1OCC ZINC001461651487 1067910176 /nfs/dbraw/zinc/91/01/76/1067910176.db2.gz AWQXCMPSILCEIB-UHFFFAOYSA-N 1 2 451.308 4.967 20 0 JJADLO C[N@H+](Cc1ccccc1)[C@H]1CCN(Cc2cc(Br)c(O)c(Br)c2)C1 ZINC001461850404 1067946731 /nfs/dbraw/zinc/94/67/31/1067946731.db2.gz MNBCPHTXWXHEOM-INIZCTEOSA-N 1 2 454.206 4.624 20 0 JJADLO C[N@@H+](Cc1ccccc1)[C@H]1CCN(Cc2cc(Br)c(O)c(Br)c2)C1 ZINC001461850404 1067946734 /nfs/dbraw/zinc/94/67/34/1067946734.db2.gz MNBCPHTXWXHEOM-INIZCTEOSA-N 1 2 454.206 4.624 20 0 JJADLO CC[N@H+](Cc1cn(-c2ccc(Br)cc2)nc1C)[C@H]1CCN(c2ccccc2)C1=O ZINC001461851154 1067947011 /nfs/dbraw/zinc/94/70/11/1067947011.db2.gz FSKRAQHPKNNEHE-QFIPXVFZSA-N 1 2 453.384 4.571 20 0 JJADLO CC[N@@H+](Cc1cn(-c2ccc(Br)cc2)nc1C)[C@H]1CCN(c2ccccc2)C1=O ZINC001461851154 1067947022 /nfs/dbraw/zinc/94/70/22/1067947022.db2.gz FSKRAQHPKNNEHE-QFIPXVFZSA-N 1 2 453.384 4.571 20 0 JJADLO Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2cc(Br)cc(Br)c2N)n1 ZINC001461865146 1067950350 /nfs/dbraw/zinc/95/03/50/1067950350.db2.gz CRUQLAHEHZPGBL-OAHLLOKOSA-N 1 2 454.210 4.574 20 0 JJADLO Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2cc(Br)cc(Br)c2N)n1 ZINC001461865146 1067950355 /nfs/dbraw/zinc/95/03/55/1067950355.db2.gz CRUQLAHEHZPGBL-OAHLLOKOSA-N 1 2 454.210 4.574 20 0 JJADLO Cc1nn(-c2cccc(Br)c2)cc1C[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC001461915911 1067960576 /nfs/dbraw/zinc/96/05/76/1067960576.db2.gz VHYPLTPMKFUCEZ-RMKNXTFCSA-N 1 2 451.412 4.774 20 0 JJADLO C/C(=C\c1ccccc1OC(F)F)C[NH+]1CCN(C(=O)[C@@H](C)Oc2ccc(C)cc2C)CC1 ZINC001461932837 1067963739 /nfs/dbraw/zinc/96/37/39/1067963739.db2.gz FCLNMHAADKSYGS-WEIUTZTHSA-N 1 2 458.549 4.920 20 0 JJADLO CC(C)c1c(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)cnn1-c1ccccc1Cl ZINC001461948224 1067967254 /nfs/dbraw/zinc/96/72/54/1067967254.db2.gz WGRVUZNYNBLABI-UHFFFAOYSA-N 1 2 456.015 4.527 20 0 JJADLO Cc1cc(Oc2cc(Cl)ccc2CN2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)ccc1F ZINC001461966186 1067970927 /nfs/dbraw/zinc/97/09/27/1067970927.db2.gz PPWKAWHGKUYJEO-IBGZPJMESA-N 1 2 459.993 4.708 20 0 JJADLO Cc1ccc(-c2ncc(C[NH+]3CCN([C@@H](C)C(=O)Nc4cccc(F)c4)CC3)s2)cc1C ZINC001461973102 1067972468 /nfs/dbraw/zinc/97/24/68/1067972468.db2.gz AENFVUJKJBFLPY-IBGZPJMESA-N 1 2 452.599 4.711 20 0 JJADLO Cc1cc(Br)cc(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)c1OC(F)F ZINC001461990797 1067976706 /nfs/dbraw/zinc/97/67/06/1067976706.db2.gz WEYYRFCQNBCCFF-UHFFFAOYSA-N 1 2 459.356 4.815 20 0 JJADLO Cc1cc(Cl)ccc1Oc1ccc(F)cc1C[N@@H+]1CCCN(CC(=O)N2CCCC2)CC1 ZINC001462017954 1067981873 /nfs/dbraw/zinc/98/18/73/1067981873.db2.gz GCVULPYJFABNGS-UHFFFAOYSA-N 1 2 459.993 4.710 20 0 JJADLO Cc1cc(Cl)ccc1Oc1ccc(F)cc1C[N@H+]1CCCN(CC(=O)N2CCCC2)CC1 ZINC001462017954 1067981878 /nfs/dbraw/zinc/98/18/78/1067981878.db2.gz GCVULPYJFABNGS-UHFFFAOYSA-N 1 2 459.993 4.710 20 0 JJADLO Cc1cc(C)n2c(C[N@@H+](CC(=O)Nc3ccc(Cl)cc3C(F)(F)F)C(C)C)cnc2n1 ZINC001462036603 1067986153 /nfs/dbraw/zinc/98/61/53/1067986153.db2.gz CNXWEMZXZPTJQC-UHFFFAOYSA-N 1 2 453.896 4.867 20 0 JJADLO Cc1cc(C)n2c(C[N@H+](CC(=O)Nc3ccc(Cl)cc3C(F)(F)F)C(C)C)cnc2n1 ZINC001462036603 1067986162 /nfs/dbraw/zinc/98/61/62/1067986162.db2.gz CNXWEMZXZPTJQC-UHFFFAOYSA-N 1 2 453.896 4.867 20 0 JJADLO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+]1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC001462053164 1067991268 /nfs/dbraw/zinc/99/12/68/1067991268.db2.gz UHJHWWVZKFWDNP-FQEVSTJZSA-N 1 2 452.368 4.690 20 0 JJADLO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+]1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC001462053164 1067991277 /nfs/dbraw/zinc/99/12/77/1067991277.db2.gz UHJHWWVZKFWDNP-FQEVSTJZSA-N 1 2 452.368 4.690 20 0 JJADLO C[C@H]1C[N@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001462074780 1067996760 /nfs/dbraw/zinc/99/67/60/1067996760.db2.gz YAZUZUFNRODURZ-IRXDYDNUSA-N 1 2 452.521 4.780 20 0 JJADLO C[C@H]1C[N@@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001462074780 1067996768 /nfs/dbraw/zinc/99/67/68/1067996768.db2.gz YAZUZUFNRODURZ-IRXDYDNUSA-N 1 2 452.521 4.780 20 0 JJADLO C[N@H+](Cc1ccnn1-c1ccccc1)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC001462093213 1068000591 /nfs/dbraw/zinc/00/05/91/1068000591.db2.gz HDXYJPCWSHXOIG-OAQYLSRUSA-N 1 2 456.384 4.825 20 0 JJADLO C[N@@H+](Cc1ccnn1-c1ccccc1)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC001462093213 1068000608 /nfs/dbraw/zinc/00/06/08/1068000608.db2.gz HDXYJPCWSHXOIG-OAQYLSRUSA-N 1 2 456.384 4.825 20 0 JJADLO OC1(Cc2cccc(F)c2)CC[NH+](Cc2cc(Br)ccc2Br)CC1 ZINC001462126025 1068011026 /nfs/dbraw/zinc/01/10/26/1068011026.db2.gz GMMQDGCXJGMCFW-UHFFFAOYSA-N 1 2 457.181 4.920 20 0 JJADLO COCO[C@H](C)c1cc(F)c(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)cc1Br ZINC001462127680 1068011057 /nfs/dbraw/zinc/01/10/57/1068011057.db2.gz NXNHDCGXLDFVSE-IVZQSRNASA-N 1 2 450.348 4.901 20 0 JJADLO COCO[C@H](C)c1cc(F)c(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)cc1Br ZINC001462127680 1068011073 /nfs/dbraw/zinc/01/10/73/1068011073.db2.gz NXNHDCGXLDFVSE-IVZQSRNASA-N 1 2 450.348 4.901 20 0 JJADLO COc1cc(C[NH2+][C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)cc(OC)c1OCC(F)F ZINC001462182847 1068024099 /nfs/dbraw/zinc/02/40/99/1068024099.db2.gz GLGGKODSMFPBCE-CYBMUJFWSA-N 1 2 451.445 4.696 20 0 JJADLO COc1ccc(Cl)cc1[C@@H](O)C[NH2+]Cc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1 ZINC001462232231 1068034491 /nfs/dbraw/zinc/03/44/91/1068034491.db2.gz DCACDERDLJDUOE-NRFANRHFSA-N 1 2 459.999 4.930 20 0 JJADLO CC(C)(C)OC(=O)N1CCC2(CC[N@@H+]2Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC1 ZINC001462274031 1068041935 /nfs/dbraw/zinc/04/19/35/1068041935.db2.gz MFWVKDYALCJHBS-UHFFFAOYSA-N 1 2 452.386 4.550 20 0 JJADLO CC(C)(C)OC(=O)N1CCC2(CC[N@H+]2Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC1 ZINC001462274031 1068041952 /nfs/dbraw/zinc/04/19/52/1068041952.db2.gz MFWVKDYALCJHBS-UHFFFAOYSA-N 1 2 452.386 4.550 20 0 JJADLO COCc1ccccc1/C=C(/C)C[N@@H+]1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1 ZINC001462412934 1068069386 /nfs/dbraw/zinc/06/93/86/1068069386.db2.gz HIVLMMQAQFIRIY-JLWUKTJBSA-N 1 2 464.503 4.912 20 0 JJADLO COCc1ccccc1/C=C(/C)C[N@H+]1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1 ZINC001462412934 1068069400 /nfs/dbraw/zinc/06/94/00/1068069400.db2.gz HIVLMMQAQFIRIY-JLWUKTJBSA-N 1 2 464.503 4.912 20 0 JJADLO C[C@]12CC[N@H+](Cc3cccc(F)c3Br)C[C@H]1C2(Br)Br ZINC001462429700 1068073252 /nfs/dbraw/zinc/07/32/52/1068073252.db2.gz PUSYNLMYIBHPNH-YPMHNXCESA-N 1 2 455.991 4.916 20 0 JJADLO C[C@]12CC[N@@H+](Cc3cccc(F)c3Br)C[C@H]1C2(Br)Br ZINC001462429700 1068073265 /nfs/dbraw/zinc/07/32/65/1068073265.db2.gz PUSYNLMYIBHPNH-YPMHNXCESA-N 1 2 455.991 4.916 20 0 JJADLO CC(=O)N(c1nc(C[NH2+][C@]2(C)CCN(C(=O)OC(C)(C)C)C2)cs1)c1ccc(C)c(C)c1 ZINC001462456074 1068078469 /nfs/dbraw/zinc/07/84/69/1068078469.db2.gz MNKPCTQVMSOIKU-XMMPIXPASA-N 1 2 458.628 4.934 20 0 JJADLO CC(=O)N(c1nc(C[NH2+][C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)cs1)c1ccc(C)c(C)c1 ZINC001462456069 1068078496 /nfs/dbraw/zinc/07/84/96/1068078496.db2.gz MNKPCTQVMSOIKU-DEOSSOPVSA-N 1 2 458.628 4.934 20 0 JJADLO CCn1c(NCc2ccc(OCc3ccc(C(=O)OC)o3)c(OC)c2)[nH+]c2cc(F)ccc21 ZINC001462679636 1068129921 /nfs/dbraw/zinc/12/99/21/1068129921.db2.gz CPDIIAKTLJSXHO-UHFFFAOYSA-N 1 2 453.470 4.775 20 0 JJADLO O=C(OCc1ccc(Br)cc1)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001462755151 1068156469 /nfs/dbraw/zinc/15/64/69/1068156469.db2.gz JRLJBFPZESGRIS-UHFFFAOYSA-N 1 2 457.290 4.922 20 0 JJADLO CC(C)CCOc1ccc(S(=O)(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)cc1 ZINC001462767091 1068160678 /nfs/dbraw/zinc/16/06/78/1068160678.db2.gz RAQUSBXJQMGKNE-UHFFFAOYSA-N 1 2 452.620 4.771 20 0 JJADLO CC(=O)c1oc2cc(C)ccc2c1CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001462769657 1068161947 /nfs/dbraw/zinc/16/19/47/1068161947.db2.gz KXKOZEQWFKTOEB-NHCUHLMSSA-N 1 2 458.480 4.665 20 0 JJADLO CC(=O)c1oc2cc(C)ccc2c1CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001462769657 1068161951 /nfs/dbraw/zinc/16/19/51/1068161951.db2.gz KXKOZEQWFKTOEB-NHCUHLMSSA-N 1 2 458.480 4.665 20 0 JJADLO O=S(=O)(c1c(Cl)cc(Cl)cc1Cl)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001462773200 1068163670 /nfs/dbraw/zinc/16/36/70/1068163670.db2.gz WJMRHHPRULOKKK-UHFFFAOYSA-N 1 2 451.778 4.683 20 0 JJADLO O=S(=O)(c1c(Cl)cc(Cl)cc1Cl)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001462773200 1068163675 /nfs/dbraw/zinc/16/36/75/1068163675.db2.gz WJMRHHPRULOKKK-UHFFFAOYSA-N 1 2 451.778 4.683 20 0 JJADLO CC[NH+](CC)[C@H](C(=O)OCc1c(F)cc(C(=O)OC)cc1F)c1cccc(C(F)(F)F)c1 ZINC001462906117 1068211041 /nfs/dbraw/zinc/21/10/41/1068211041.db2.gz JHNAXQKNCLJDAZ-IBGZPJMESA-N 1 2 459.411 4.897 20 0 JJADLO CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)C1 ZINC001463452640 1068402089 /nfs/dbraw/zinc/40/20/89/1068402089.db2.gz RLMCFDJGBFCFNH-KRWDZBQOSA-N 1 2 456.388 4.606 20 0 JJADLO CC(C)(C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1)c1cccc(C(F)(F)F)c1 ZINC001463606043 1068463387 /nfs/dbraw/zinc/46/33/87/1068463387.db2.gz WNYTZFVPULBKTE-UHFFFAOYSA-N 1 2 454.920 4.860 20 0 JJADLO CC(C)(COc1cc(Cl)cc(Cl)c1)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001463613611 1068467063 /nfs/dbraw/zinc/46/70/63/1068467063.db2.gz RXDIETACKUCRGG-UHFFFAOYSA-N 1 2 451.394 4.622 20 0 JJADLO C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001463612793 1068467126 /nfs/dbraw/zinc/46/71/26/1068467126.db2.gz PWRSTPIBXSCPAE-GOSISDBHSA-N 1 2 456.011 4.592 20 0 JJADLO Cc1cc(F)ccc1S(=O)(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC001463697887 1068497881 /nfs/dbraw/zinc/49/78/81/1068497881.db2.gz NJIQQIUWQXBIOO-KRWDZBQOSA-N 1 2 452.901 4.691 20 0 JJADLO Cc1cc(F)ccc1S(=O)(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F ZINC001463697887 1068497885 /nfs/dbraw/zinc/49/78/85/1068497885.db2.gz NJIQQIUWQXBIOO-KRWDZBQOSA-N 1 2 452.901 4.691 20 0 JJADLO CCOc1ccccc1[C@H](CC(=O)Nc1ccc(-n2cc[nH+]c2)cc1)NC(=O)OC(C)(C)C ZINC001463955940 1068575302 /nfs/dbraw/zinc/57/53/02/1068575302.db2.gz ILDQOAZNBOGBQZ-NRFANRHFSA-N 1 2 450.539 4.866 20 0 JJADLO Cc1nc(NCc2cccc(C(=O)Nc3ccccc3C(=O)N3C[C@H](C)C[C@@H](C)C3)c2)cc[nH+]1 ZINC001464128139 1068625966 /nfs/dbraw/zinc/62/59/66/1068625966.db2.gz CTSBNLSOYMQHBF-RTBURBONSA-N 1 2 457.578 4.768 20 0 JJADLO CC(C)CC(=O)N[C@H](C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1ccccc1 ZINC001464130853 1068627300 /nfs/dbraw/zinc/62/73/00/1068627300.db2.gz YPDCCAQJYPPIOW-URXFXBBRSA-N 1 2 459.993 4.636 20 0 JJADLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N[C@@H](C)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1 ZINC001464163816 1068639726 /nfs/dbraw/zinc/63/97/26/1068639726.db2.gz CPAKFVYHFLPDDX-DFBJGRDBSA-N 1 2 458.562 4.791 20 0 JJADLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)N[C@@H](C)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1 ZINC001464163816 1068639729 /nfs/dbraw/zinc/63/97/29/1068639729.db2.gz CPAKFVYHFLPDDX-DFBJGRDBSA-N 1 2 458.562 4.791 20 0 JJADLO CCNc1cccnc1C(=O)NC[C@H](c1ccc(SC)cc1)[N@@H+]1CCc2sccc2C1 ZINC001464202490 1068654810 /nfs/dbraw/zinc/65/48/10/1068654810.db2.gz SVQBNPKNWAEKQE-OAQYLSRUSA-N 1 2 452.649 4.826 20 0 JJADLO CCNc1cccnc1C(=O)NC[C@H](c1ccc(SC)cc1)[N@H+]1CCc2sccc2C1 ZINC001464202490 1068654818 /nfs/dbraw/zinc/65/48/18/1068654818.db2.gz SVQBNPKNWAEKQE-OAQYLSRUSA-N 1 2 452.649 4.826 20 0 JJADLO CCc1c(Br)cc(C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1Br ZINC001464455324 1068752555 /nfs/dbraw/zinc/75/25/55/1068752555.db2.gz ZOGPQJGTXIUPRK-MRXNPFEDSA-N 1 2 457.210 4.815 20 0 JJADLO Cc1[nH]c(-c2cccc(NC(=O)C3(c4ccc(I)cc4)CC3)c2)[nH+]c1C ZINC001464455848 1068753094 /nfs/dbraw/zinc/75/30/94/1068753094.db2.gz DJWHWEQQNPRJAJ-UHFFFAOYSA-N 1 2 457.315 4.968 20 0 JJADLO O=C(NCCC[NH+]1CCN(c2ccccc2Cl)CC1)c1cc(Cl)c2ccccc2c1O ZINC001464474046 1068759480 /nfs/dbraw/zinc/75/94/80/1068759480.db2.gz FHLFVYUHAXENBI-UHFFFAOYSA-N 1 2 458.389 4.794 20 0 JJADLO O=C(c1sc2cc(Cl)ccc2c1Cl)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001464506171 1068768301 /nfs/dbraw/zinc/76/83/01/1068768301.db2.gz ZLVKOLZPZQQIHH-UHFFFAOYSA-N 1 2 455.329 4.935 20 0 JJADLO Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)cc1 ZINC001464556272 1068780666 /nfs/dbraw/zinc/78/06/66/1068780666.db2.gz HKMMWHHZDCTURE-GOSISDBHSA-N 1 2 458.747 4.760 20 0 JJADLO Cc1ccc(N2N=C(Br)C[C@H]2C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)cc1 ZINC001464556277 1068780802 /nfs/dbraw/zinc/78/08/02/1068780802.db2.gz HKMMWHHZDCTURE-SFHVURJKSA-N 1 2 458.747 4.760 20 0 JJADLO Cn1cnnc1Sc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)cc1Cl ZINC001464578949 1068789924 /nfs/dbraw/zinc/78/99/24/1068789924.db2.gz KSHWDCGHZUOJMJ-IBGZPJMESA-N 1 2 459.978 4.752 20 0 JJADLO Cn1cnnc1Sc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)cc1Cl ZINC001464578949 1068789930 /nfs/dbraw/zinc/78/99/30/1068789930.db2.gz KSHWDCGHZUOJMJ-IBGZPJMESA-N 1 2 459.978 4.752 20 0 JJADLO CC(=O)N[C@@H](CCC(C)C)C(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC001464711437 1068834667 /nfs/dbraw/zinc/83/46/67/1068834667.db2.gz BFKGTVLQQVBKHR-LOSJGSFVSA-N 1 2 456.030 4.515 20 0 JJADLO CC(=O)N[C@H](CCC(C)C)C(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC001464711433 1068834834 /nfs/dbraw/zinc/83/48/34/1068834834.db2.gz BFKGTVLQQVBKHR-JWQCQUIFSA-N 1 2 456.030 4.515 20 0 JJADLO CCON1CCC(CC(=O)N2CC[NH+]([C@@H](c3ccccc3)c3ccccc3Cl)CC2)CC1 ZINC001464715930 1068836190 /nfs/dbraw/zinc/83/61/90/1068836190.db2.gz PAVFABNZCJRZSQ-SANMLTNESA-N 1 2 456.030 4.627 20 0 JJADLO FC(F)(c1ccnc(Cl)c1Cl)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164418527 718889922 /nfs/dbraw/zinc/88/99/22/718889922.db2.gz ORRAMDVJVLIIKW-LBPRGKRZSA-N 1 2 478.124 4.921 20 0 JJADLO FC(F)(c1ccc2nc(Cl)cnc2c1)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164419853 718890149 /nfs/dbraw/zinc/89/01/49/718890149.db2.gz RTIVCOVZHGCLCI-MRXNPFEDSA-N 1 2 494.727 4.816 20 0 JJADLO CCOC(=O)c1cc(Cl)nc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@H+]3CC)c1 ZINC001164662882 719345125 /nfs/dbraw/zinc/34/51/25/719345125.db2.gz VARRADWCZCTWQE-UHFFFAOYSA-N 1 2 480.012 4.606 20 0 JJADLO CCOC(=O)c1cc(Cl)nc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@@H+]3CC)c1 ZINC001164662882 719345128 /nfs/dbraw/zinc/34/51/28/719345128.db2.gz VARRADWCZCTWQE-UHFFFAOYSA-N 1 2 480.012 4.606 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccnc(-c3ccccc3)n1)CC2 ZINC001164664553 719346632 /nfs/dbraw/zinc/34/66/32/719346632.db2.gz YGUIGDLOOGKACE-UHFFFAOYSA-N 1 2 450.590 4.838 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccnc(-c3ccccc3)n1)CC2 ZINC001164664553 719346634 /nfs/dbraw/zinc/34/66/34/719346634.db2.gz YGUIGDLOOGKACE-UHFFFAOYSA-N 1 2 450.590 4.838 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc3cc(C(=O)OC)ccc31)CC2 ZINC001164663431 719348778 /nfs/dbraw/zinc/34/87/78/719348778.db2.gz GOBNSDSVMXKQFB-UHFFFAOYSA-N 1 2 481.600 4.716 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc3cc(C(=O)OC)ccc31)CC2 ZINC001164663431 719348781 /nfs/dbraw/zinc/34/87/81/719348781.db2.gz GOBNSDSVMXKQFB-UHFFFAOYSA-N 1 2 481.600 4.716 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nnc(Cl)c3c1CCCC3)CC2 ZINC001164663119 719349523 /nfs/dbraw/zinc/34/95/23/719349523.db2.gz DKFCADYNJOSRGS-UHFFFAOYSA-N 1 2 463.029 4.704 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nnc(Cl)c3c1CCCC3)CC2 ZINC001164663119 719349526 /nfs/dbraw/zinc/34/95/26/719349526.db2.gz DKFCADYNJOSRGS-UHFFFAOYSA-N 1 2 463.029 4.704 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nncc3cc(Cl)ccc31)CC2 ZINC001164659939 719351088 /nfs/dbraw/zinc/35/10/88/719351088.db2.gz SQETUDOGGLIPCE-UHFFFAOYSA-N 1 2 458.997 4.978 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nncc3cc(Cl)ccc31)CC2 ZINC001164659939 719351090 /nfs/dbraw/zinc/35/10/90/719351090.db2.gz SQETUDOGGLIPCE-UHFFFAOYSA-N 1 2 458.997 4.978 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc3ccc(Cl)cc3n1)CC2 ZINC001164660552 719351843 /nfs/dbraw/zinc/35/18/43/719351843.db2.gz VBDKACNGEKWBFO-UHFFFAOYSA-N 1 2 458.997 4.978 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc3ccc(Cl)cc3n1)CC2 ZINC001164660552 719351845 /nfs/dbraw/zinc/35/18/45/719351845.db2.gz VBDKACNGEKWBFO-UHFFFAOYSA-N 1 2 458.997 4.978 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C(=O)OC)cc3ccccc31)CC2 ZINC001164658194 719353884 /nfs/dbraw/zinc/35/38/84/719353884.db2.gz FJNMVYXAGAEIJV-UHFFFAOYSA-N 1 2 481.600 4.716 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C(=O)OC)cc3ccccc31)CC2 ZINC001164658194 719353885 /nfs/dbraw/zinc/35/38/85/719353885.db2.gz FJNMVYXAGAEIJV-UHFFFAOYSA-N 1 2 481.600 4.716 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncccc1C(=O)N1CCC(C)CC1)CC2 ZINC001164660701 719353898 /nfs/dbraw/zinc/35/38/98/719353898.db2.gz XOJDFXSQAICLIF-UHFFFAOYSA-N 1 2 498.675 4.648 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncccc1C(=O)N1CCC(C)CC1)CC2 ZINC001164660701 719353901 /nfs/dbraw/zinc/35/39/01/719353901.db2.gz XOJDFXSQAICLIF-UHFFFAOYSA-N 1 2 498.675 4.648 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(-c3ccccc3OC)nn1)CC2 ZINC001164659515 719353996 /nfs/dbraw/zinc/35/39/96/719353996.db2.gz PYEYHPJGVXENKY-UHFFFAOYSA-N 1 2 480.616 4.847 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(-c3ccccc3OC)nn1)CC2 ZINC001164659515 719353999 /nfs/dbraw/zinc/35/39/99/719353999.db2.gz PYEYHPJGVXENKY-UHFFFAOYSA-N 1 2 480.616 4.847 20 0 JJADLO Cc1cccc(-c2cc(C(F)(F)N3Cc4c[nH+]cn4C[C@@H](COCC4CC4)C3)c(Cl)nn2)c1 ZINC001164758915 720985353 /nfs/dbraw/zinc/98/53/53/720985353.db2.gz WSTKFVASUFXKIH-GOSISDBHSA-N 1 2 473.955 4.910 20 0 JJADLO FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164873435 721217829 /nfs/dbraw/zinc/21/78/29/721217829.db2.gz RDLNSSBXFGEPIF-UHFFFAOYSA-N 1 2 471.939 4.613 20 0 JJADLO FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164875955 721220133 /nfs/dbraw/zinc/22/01/33/721220133.db2.gz YKHYEGRRLATIKA-UHFFFAOYSA-N 1 2 471.939 4.613 20 0 JJADLO FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164870783 721221806 /nfs/dbraw/zinc/22/18/06/721221806.db2.gz IBHPIQUNRSPLKF-UHFFFAOYSA-N 1 2 462.972 4.820 20 0 JJADLO Fc1ccc(-c2cc(C(F)(F)N3CCC4(CC3)CN(c3cccc[nH+]3)CCO4)c(Cl)nn2)cc1 ZINC001164869528 721222011 /nfs/dbraw/zinc/22/20/11/721222011.db2.gz CSKPXSREHDXSOJ-UHFFFAOYSA-N 1 2 489.929 4.752 20 0 JJADLO FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164767096 721274344 /nfs/dbraw/zinc/27/43/44/721274344.db2.gz GCIOBFCLLUMZGU-AWEZNQCLSA-N 1 2 491.329 4.788 20 0 JJADLO FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164770706 721275245 /nfs/dbraw/zinc/27/52/45/721275245.db2.gz XFGXPBDGSRCTHH-LBPRGKRZSA-N 1 2 474.726 4.894 20 0 JJADLO FC(F)(c1cc(-c2cccs2)nnc1Cl)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164769150 721275392 /nfs/dbraw/zinc/27/53/92/721275392.db2.gz PKDQZPNSTDRANN-HNNXBMFYSA-N 1 2 488.951 4.710 20 0 JJADLO Fc1ccc(-c2cc(C(F)(F)N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164786302 721439245 /nfs/dbraw/zinc/43/92/45/721439245.db2.gz UOQCLOAAJUUSDC-GASCZTMLSA-N 1 2 465.932 4.506 20 0 JJADLO Fc1ccc(-c2cc(C(F)(F)N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164786302 721439246 /nfs/dbraw/zinc/43/92/46/721439246.db2.gz UOQCLOAAJUUSDC-GASCZTMLSA-N 1 2 465.932 4.506 20 0 JJADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(-c3ccc(Cl)cc3)nc3ccccc31)C2 ZINC001165010735 721704028 /nfs/dbraw/zinc/70/40/28/721704028.db2.gz LIKBFLFJQCWWLJ-UHFFFAOYSA-N 1 2 462.001 4.792 20 0 JJADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(-c3ccc(Cl)cc3)nc3ccccc31)C2 ZINC001165010735 721704030 /nfs/dbraw/zinc/70/40/30/721704030.db2.gz LIKBFLFJQCWWLJ-UHFFFAOYSA-N 1 2 462.001 4.792 20 0 JJADLO Cc1sc2nc(-c3cccs3)nc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)c2c1C ZINC001165009096 721714362 /nfs/dbraw/zinc/71/43/62/721714362.db2.gz PHHRCPVSAZJLGH-UHFFFAOYSA-N 1 2 467.668 4.879 20 0 JJADLO Cc1sc2nc(-c3cccs3)nc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)c2c1C ZINC001165009096 721714370 /nfs/dbraw/zinc/71/43/70/721714370.db2.gz PHHRCPVSAZJLGH-UHFFFAOYSA-N 1 2 467.668 4.879 20 0 JJADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ccc(-c3ccc(Oc4ccccc4)cc3)nn1)C2 ZINC001165011350 721717854 /nfs/dbraw/zinc/71/78/54/721717854.db2.gz PIEAMHRQZBFXHF-UHFFFAOYSA-N 1 2 469.593 4.778 20 0 JJADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ccc(-c3ccc(Oc4ccccc4)cc3)nn1)C2 ZINC001165011350 721717863 /nfs/dbraw/zinc/71/78/63/721717863.db2.gz PIEAMHRQZBFXHF-UHFFFAOYSA-N 1 2 469.593 4.778 20 0 JJADLO c1cncc(C[N@@H+]2CCOC[C@@]3(CN(c4ccc(-c5ccc(C6CCCCC6)cc5)nn4)CCO3)C2)c1 ZINC001164914642 721798460 /nfs/dbraw/zinc/79/84/60/721798460.db2.gz OSQWJKZINSMPQQ-PMERELPUSA-N 1 2 499.659 4.694 20 0 JJADLO c1cncc(C[N@H+]2CCOC[C@@]3(CN(c4ccc(-c5ccc(C6CCCCC6)cc5)nn4)CCO3)C2)c1 ZINC001164914642 721798461 /nfs/dbraw/zinc/79/84/61/721798461.db2.gz OSQWJKZINSMPQQ-PMERELPUSA-N 1 2 499.659 4.694 20 0 JJADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(-c3ccccc3)nc3cc(Cl)ccc32)CC1 ZINC001164917168 721816759 /nfs/dbraw/zinc/81/67/59/721816759.db2.gz CPXBBUUVYIYWSZ-UHFFFAOYSA-N 1 2 458.997 4.896 20 0 JJADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(Cl)nc3sc(-c4ccccc4)cc32)CC1 ZINC001164917194 721817640 /nfs/dbraw/zinc/81/76/40/721817640.db2.gz DCIHQRIFSJMPSG-UHFFFAOYSA-N 1 2 465.026 4.958 20 0 JJADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nnc(-c3ccc(F)c(F)c3)c3ccccc32)CC1 ZINC001164918572 721818855 /nfs/dbraw/zinc/81/88/55/721818855.db2.gz PVHKDRXJDKFPPV-UHFFFAOYSA-N 1 2 460.532 4.521 20 0 JJADLO c1ccc(C[N@@H+]2CCc3ncnc(N4C[C@@H]5c6ccccc6[C@@H](OCC6CC6)[C@@H]5C4)c3C2)cc1 ZINC001164973962 722170327 /nfs/dbraw/zinc/17/03/27/722170327.db2.gz DIVBYVBKAXMSIL-INNMJMHTSA-N 1 2 452.602 4.736 20 0 JJADLO c1ccc(C[N@H+]2CCc3ncnc(N4C[C@@H]5c6ccccc6[C@@H](OCC6CC6)[C@@H]5C4)c3C2)cc1 ZINC001164973962 722170329 /nfs/dbraw/zinc/17/03/29/722170329.db2.gz DIVBYVBKAXMSIL-INNMJMHTSA-N 1 2 452.602 4.736 20 0 JJADLO c1ccc(C[N@@H+]2CCc3ncnc(N4C[C@H]5[C@H](C4)c4ccccc4[C@H]5OCC4CC4)c3C2)cc1 ZINC001164973956 722170453 /nfs/dbraw/zinc/17/04/53/722170453.db2.gz DIVBYVBKAXMSIL-CERRFVOPSA-N 1 2 452.602 4.736 20 0 JJADLO c1ccc(C[N@H+]2CCc3ncnc(N4C[C@H]5[C@H](C4)c4ccccc4[C@H]5OCC4CC4)c3C2)cc1 ZINC001164973956 722170458 /nfs/dbraw/zinc/17/04/58/722170458.db2.gz DIVBYVBKAXMSIL-CERRFVOPSA-N 1 2 452.602 4.736 20 0 JJADLO CC(C)(C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1csc(-c2c(F)cccc2F)n1 ZINC001434866088 1064304621 /nfs/dbraw/zinc/30/46/21/1064304621.db2.gz DIWCTHKEOMDHNF-UHFFFAOYSA-N 1 2 452.530 4.927 20 0 JJADLO CC(C)(C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1csc(-c2cc(F)ccc2F)n1 ZINC001434867098 1064305123 /nfs/dbraw/zinc/30/51/23/1064305123.db2.gz MOPPXSNITNYXTC-UHFFFAOYSA-N 1 2 452.530 4.927 20 0 JJADLO Cc1onc(-c2cccc(Br)c2)c1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001434874613 1064309198 /nfs/dbraw/zinc/30/91/98/1064309198.db2.gz TVUGHOPCHUUWSO-UHFFFAOYSA-N 1 2 455.287 4.667 20 0 JJADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc(-c2ccc(Br)cc2)ns1 ZINC001434876131 1064310249 /nfs/dbraw/zinc/31/02/49/1064310249.db2.gz XFZTZWVVFIRLCZ-UHFFFAOYSA-N 1 2 457.328 4.827 20 0 JJADLO CC[C@@H](C(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC001435013237 1064429688 /nfs/dbraw/zinc/42/96/88/1064429688.db2.gz KUYNHMQNCXYWRB-WMZHIEFXSA-N 1 2 459.428 4.692 20 0 JJADLO CC[C@H](C(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC001435013234 1064429769 /nfs/dbraw/zinc/42/97/69/1064429769.db2.gz KUYNHMQNCXYWRB-CVDCTZTESA-N 1 2 459.428 4.692 20 0 JJADLO CC(C)Cc1nnc(N(C)Cc2cccc(F)c2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001359780609 1064430620 /nfs/dbraw/zinc/43/06/20/1064430620.db2.gz CFBYKRZXXMPPMX-UHFFFAOYSA-N 1 2 450.606 4.932 20 0 JJADLO C/C(=C\c1ccc(Br)o1)C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC001435051556 1064469225 /nfs/dbraw/zinc/46/92/25/1064469225.db2.gz HAHVFCVSSFFSBW-FYWRMAATSA-N 1 2 454.328 4.721 20 0 JJADLO COc1cc(Cl)c(Br)cc1C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC001435097748 1064512185 /nfs/dbraw/zinc/51/21/85/1064512185.db2.gz PPZMSHOMRWDOOR-CYBMUJFWSA-N 1 2 453.764 4.757 20 0 JJADLO CC(C)Cc1nnc(N2CC[NH+](CCOc3ccccc3Cl)CC2)n1C[C@@H]1CC[C@H](C)C1 ZINC001359859782 1064548033 /nfs/dbraw/zinc/54/80/33/1064548033.db2.gz IMVYJNUCXMDXCD-LEWJYISDSA-N 1 2 460.066 4.767 20 0 JJADLO CC(C)Cc1nnc(N2CC[NH+](CCOc3ccccc3Cl)CC2)n1C[C@@H]1CC[C@@H](C)C1 ZINC001359859783 1064548732 /nfs/dbraw/zinc/54/87/32/1064548732.db2.gz IMVYJNUCXMDXCD-NHCUHLMSSA-N 1 2 460.066 4.767 20 0 JJADLO CC(C)Cc1nnc(N2CCO[C@H](c3ccccc3Br)C2)n1CCCNc1cccc[nH+]1 ZINC001359869219 1064561580 /nfs/dbraw/zinc/56/15/80/1064561580.db2.gz URSHMXYHKOKJEO-NRFANRHFSA-N 1 2 499.457 4.714 20 0 JJADLO CC(C)Cc1nnc(Nc2cnn(CC3CCC3)c2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001359876575 1064566725 /nfs/dbraw/zinc/56/67/25/1064566725.db2.gz AHWOXSZITYJEKM-NRFANRHFSA-N 1 2 457.573 4.798 20 0 JJADLO CC(C)CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCNc1cccc[nH+]1 ZINC001359919213 1064643362 /nfs/dbraw/zinc/64/33/62/1064643362.db2.gz ZMFZDGSELVRPPV-NRFANRHFSA-N 1 2 485.677 4.772 20 0 JJADLO CC(C)CN(C)c1nnc(-c2ccc(Br)s2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001359973075 1064749871 /nfs/dbraw/zinc/74/98/71/1064749871.db2.gz IUEHDLNNDQZXCM-UHFFFAOYSA-N 1 2 475.460 4.905 20 0 JJADLO CC[C@@H](CNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)Oc1cccc(C(F)(F)F)c1 ZINC001435433410 1064754515 /nfs/dbraw/zinc/75/45/15/1064754515.db2.gz ATQBWLIFBVFEDZ-FPOVZHCZSA-N 1 2 452.542 4.769 20 0 JJADLO CC(C)CN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H](C)[NH+]1CCOCC1)C1CCCC1 ZINC001359983022 1064759436 /nfs/dbraw/zinc/75/94/36/1064759436.db2.gz KLDQQUPYNSKNCH-RTWAWAEBSA-N 1 2 473.637 4.683 20 0 JJADLO CC(C)CN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1ccc(N(C)C)[nH+]c1)C(C)C ZINC001359983606 1064760876 /nfs/dbraw/zinc/76/08/76/1064760876.db2.gz UCJPCFIKLRWTKJ-LJQANCHMSA-N 1 2 454.594 4.937 20 0 JJADLO CC(C)CN(c1nnc(-c2ccc(Br)s2)n1C[C@H](C)[NH+]1CCOCC1)C1CCCC1 ZINC001359985960 1064765467 /nfs/dbraw/zinc/76/54/67/1064765467.db2.gz SROUVHVSNBEZGL-KRWDZBQOSA-N 1 2 496.519 4.895 20 0 JJADLO CC(C)CN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1)C(C)C ZINC001359989375 1064770484 /nfs/dbraw/zinc/77/04/84/1064770484.db2.gz KIILTUQYSQZMRC-QHCPKHFHSA-N 1 2 454.663 4.723 20 0 JJADLO C[C@H](c1cccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)C2CCCCCC2)c1)[NH+]1CCOCC1 ZINC001359997112 1064782167 /nfs/dbraw/zinc/78/21/67/1064782167.db2.gz NDIJYGMVBIEDDU-AUSIDOKSSA-N 1 2 459.631 4.882 20 0 JJADLO O=C(Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC001359999430 1064786093 /nfs/dbraw/zinc/78/60/93/1064786093.db2.gz RIKDKNCKDDZGFM-JOCHJYFZSA-N 1 2 458.027 4.695 20 0 JJADLO CC(C)COc1ccccc1Cn1c(CC(C)C)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001360055365 1064884778 /nfs/dbraw/zinc/88/47/78/1064884778.db2.gz RZVYHGMMKGJWLN-UHFFFAOYSA-N 1 2 462.642 4.583 20 0 JJADLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cccc(Cn2nc(C)cc2C)c1 ZINC001435625795 1064887285 /nfs/dbraw/zinc/88/72/85/1064887285.db2.gz SJQZCFNDLMUQBV-HRFSGMKKSA-N 1 2 459.638 4.624 20 0 JJADLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cccc(Cn2nc(C)cc2C)c1 ZINC001435625795 1064887290 /nfs/dbraw/zinc/88/72/90/1064887290.db2.gz SJQZCFNDLMUQBV-HRFSGMKKSA-N 1 2 459.638 4.624 20 0 JJADLO C[C@@H]1CCC[C@H](OCCCCCC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001435751608 1064976390 /nfs/dbraw/zinc/97/63/90/1064976390.db2.gz WVQIHUDWSKQHCR-SXPAWZJZSA-N 1 2 451.051 4.984 20 0 JJADLO C[C@@H]1CCC[C@H](OCCCCCC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001435751608 1064976406 /nfs/dbraw/zinc/97/64/06/1064976406.db2.gz WVQIHUDWSKQHCR-SXPAWZJZSA-N 1 2 451.051 4.984 20 0 JJADLO C[C@@H]1CCC[C@H](OCCCCCC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001435751605 1064976435 /nfs/dbraw/zinc/97/64/35/1064976435.db2.gz WVQIHUDWSKQHCR-HXNUEKDGSA-N 1 2 451.051 4.984 20 0 JJADLO C[C@@H]1CCC[C@H](OCCCCCC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001435751605 1064976452 /nfs/dbraw/zinc/97/64/52/1064976452.db2.gz WVQIHUDWSKQHCR-HXNUEKDGSA-N 1 2 451.051 4.984 20 0 JJADLO COc1ccc2c(c1)CCC[C@H]2CNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC001435828336 1065012013 /nfs/dbraw/zinc/01/20/13/1065012013.db2.gz VOINBKRKHCTRJM-WMZHIEFXSA-N 1 2 457.412 4.831 20 0 JJADLO C[C@H](c1cccc(NC(=O)c2ccc(Cn3ccc(C(F)(F)F)n3)cc2)c1)[NH+]1CCOCC1 ZINC001360179638 1065068002 /nfs/dbraw/zinc/06/80/02/1065068002.db2.gz QINNRBUVFVLOHO-QGZVFWFLSA-N 1 2 458.484 4.596 20 0 JJADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2cc(Br)cc(Br)c2)CC1 ZINC001435984382 1065092504 /nfs/dbraw/zinc/09/25/04/1065092504.db2.gz BGGWPDPXOVQFQJ-LBPRGKRZSA-N 1 2 458.219 4.792 20 0 JJADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cccc(C(=O)Nc3ccccc3)c2)[C@H](C)C1 ZINC001436018651 1065116500 /nfs/dbraw/zinc/11/65/00/1065116500.db2.gz CQMQBSQVXDRBIC-OAQYLSRUSA-N 1 2 457.574 4.684 20 0 JJADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cccc(C(=O)Nc3ccccc3)c2)[C@H](C)C1 ZINC001436018651 1065116510 /nfs/dbraw/zinc/11/65/10/1065116510.db2.gz CQMQBSQVXDRBIC-OAQYLSRUSA-N 1 2 457.574 4.684 20 0 JJADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cc(Cl)cc(Br)c2)[C@H](C)C1 ZINC001436021372 1065118914 /nfs/dbraw/zinc/11/89/14/1065118914.db2.gz XGZFMRZATBWOAX-OAHLLOKOSA-N 1 2 451.792 4.848 20 0 JJADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cc(Cl)cc(Br)c2)[C@H](C)C1 ZINC001436021372 1065118917 /nfs/dbraw/zinc/11/89/17/1065118917.db2.gz XGZFMRZATBWOAX-OAHLLOKOSA-N 1 2 451.792 4.848 20 0 JJADLO O=C(/C=C\c1ccc(I)o1)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC001436027594 1065122772 /nfs/dbraw/zinc/12/27/72/1065122772.db2.gz KNOTUJPUOINVIP-LUAWRHEFSA-N 1 2 459.287 4.736 20 0 JJADLO CCCCC[C@@H](CC)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(I)cc1 ZINC001436049375 1065144262 /nfs/dbraw/zinc/14/42/62/1065144262.db2.gz ZVLJFSWEBXZGED-QUCCMNQESA-N 1 2 456.412 4.978 20 0 JJADLO CCCCC[C@@H](CC)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(I)cc1 ZINC001436049375 1065144266 /nfs/dbraw/zinc/14/42/66/1065144266.db2.gz ZVLJFSWEBXZGED-QUCCMNQESA-N 1 2 456.412 4.978 20 0 JJADLO C[C@@H]1CCC[C@@H](CNC(=O)c2cccnc2N2CC[NH+](Cc3cccc(Cl)c3)CC2)[C@H]1C ZINC001436085093 1065170108 /nfs/dbraw/zinc/17/01/08/1065170108.db2.gz DQBMNMYHGPOAJH-URVUXULASA-N 1 2 455.046 4.859 20 0 JJADLO C[C@H](NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)c1ccc(Oc2cccnc2)cc1 ZINC001436166673 1065225265 /nfs/dbraw/zinc/22/52/65/1065225265.db2.gz JNUPJQDZODLQRU-IBGZPJMESA-N 1 2 455.518 4.590 20 0 JJADLO C[C@@H](NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)c1ccc(Oc2cccnc2)cc1 ZINC001436166679 1065225462 /nfs/dbraw/zinc/22/54/62/1065225462.db2.gz JNUPJQDZODLQRU-LJQANCHMSA-N 1 2 455.518 4.590 20 0 JJADLO CC(C)OCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001360377171 1065238268 /nfs/dbraw/zinc/23/82/68/1065238268.db2.gz ZIHRKSZIJQBRMC-UHFFFAOYSA-N 1 2 499.457 4.634 20 0 JJADLO O=C(COc1ccccc1C(=O)Nc1cccc2[nH+]ccn21)Nc1cccc(C(F)(F)F)c1 ZINC001360441002 1065325461 /nfs/dbraw/zinc/32/54/61/1065325461.db2.gz AJUFBCXRFXDVDJ-UHFFFAOYSA-N 1 2 454.408 4.623 20 0 JJADLO COc1ccc2c(c1)C=C(C(=O)N1CC[N@H+](Cc3ccc(Cl)cc3)C[C@H]1CC(C)C)CO2 ZINC001436519664 1065340804 /nfs/dbraw/zinc/34/08/04/1065340804.db2.gz DECBOSMXERRKAL-HSZRJFAPSA-N 1 2 454.998 4.884 20 0 JJADLO COc1ccc2c(c1)C=C(C(=O)N1CC[N@@H+](Cc3ccc(Cl)cc3)C[C@H]1CC(C)C)CO2 ZINC001436519664 1065340819 /nfs/dbraw/zinc/34/08/19/1065340819.db2.gz DECBOSMXERRKAL-HSZRJFAPSA-N 1 2 454.998 4.884 20 0 JJADLO C[C@H](c1ccccc1F)N(C)c1nnc(Cc2ccsc2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001360454693 1065352812 /nfs/dbraw/zinc/35/28/12/1065352812.db2.gz POEGEXYVFGKGAR-QGZVFWFLSA-N 1 2 450.587 4.776 20 0 JJADLO C[C@@H](c1ccccc1F)N(C)c1nnc(Cc2ccsc2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001360454692 1065352859 /nfs/dbraw/zinc/35/28/59/1065352859.db2.gz POEGEXYVFGKGAR-KRWDZBQOSA-N 1 2 450.587 4.776 20 0 JJADLO CC[C@@H]1CCC[C@]1(C)C(=O)Nc1ccccc1OCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC001436608606 1065396645 /nfs/dbraw/zinc/39/66/45/1065396645.db2.gz HZGMMXUCLXIUOH-IBVKSMDESA-N 1 2 459.631 4.773 20 0 JJADLO C[C@H](CN(C)c1nnc(C(C)(C)C)n1Cc1ccc(N2CCCCC2)[nH+]c1)c1nccs1 ZINC001360518846 1065483632 /nfs/dbraw/zinc/48/36/32/1065483632.db2.gz FSPMAEQBTQQFFE-GOSISDBHSA-N 1 2 453.660 4.706 20 0 JJADLO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1)c1ccc(F)cc1 ZINC001360570905 1065564258 /nfs/dbraw/zinc/56/42/58/1065564258.db2.gz XIYLJLYJCGECLU-SFHVURJKSA-N 1 2 450.606 4.833 20 0 JJADLO C[C@@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC001360584497 1065584494 /nfs/dbraw/zinc/58/44/94/1065584494.db2.gz WVAILOUTHPANOB-ROUUACIJSA-N 1 2 496.483 4.757 20 0 JJADLO C[C@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[C@H](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC001360584495 1065584534 /nfs/dbraw/zinc/58/45/34/1065584534.db2.gz WVAILOUTHPANOB-MSOLQXFVSA-N 1 2 496.483 4.757 20 0 JJADLO CCN(C(=O)c1oc2ccccc2c1COC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001360638081 1065701496 /nfs/dbraw/zinc/70/14/96/1065701496.db2.gz UOLSKXBIWVPQSU-UHFFFAOYSA-N 1 2 450.583 4.932 20 0 JJADLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)[C@@H](Oc1ccc(Br)cc1)c1ccccc1 ZINC001438581003 1065734269 /nfs/dbraw/zinc/73/42/69/1065734269.db2.gz OEVHXOYPEYIEGY-PKTZIBPZSA-N 1 2 451.364 4.872 20 0 JJADLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)[C@@H](Oc1ccc(Br)cc1)c1ccccc1 ZINC001438581003 1065734280 /nfs/dbraw/zinc/73/42/80/1065734280.db2.gz OEVHXOYPEYIEGY-PKTZIBPZSA-N 1 2 451.364 4.872 20 0 JJADLO CC(C)c1c(C(=O)NCCN(Cc2ccccc2)c2cccc[nH+]2)cnn1-c1ccc(F)cc1 ZINC001439110351 1065788190 /nfs/dbraw/zinc/78/81/90/1065788190.db2.gz PCMJHPBVRTUNMQ-UHFFFAOYSA-N 1 2 457.553 4.966 20 0 JJADLO O=C(Nc1cccc([C@@H]2CCCC(=O)N2)c1)[C@@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001439317233 1065814255 /nfs/dbraw/zinc/81/42/55/1065814255.db2.gz AYWBVUUPGMSNMH-RBBKRZOGSA-N 1 2 456.384 4.566 20 0 JJADLO C[C@H](Oc1ccccc1F)c1nnc(N(C)[C@@H](C)c2cccs2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001360762301 1065837579 /nfs/dbraw/zinc/83/75/79/1065837579.db2.gz CURLOMIVIBCJTF-QYZOEREBSA-N 1 2 473.618 4.537 20 0 JJADLO C[C@H](Oc1ccccc1F)c1nnc(N(C)[C@@H](C)c2cccs2)n1CC[N@H+]1CCOC[C@H]1C ZINC001360762301 1065837590 /nfs/dbraw/zinc/83/75/90/1065837590.db2.gz CURLOMIVIBCJTF-QYZOEREBSA-N 1 2 473.618 4.537 20 0 JJADLO C[C@H](Oc1ccccc1F)c1nnc(N(C)CCC(F)(F)F)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001360764962 1065846838 /nfs/dbraw/zinc/84/68/38/1065846838.db2.gz IIMUXTFLMZNXQM-KRWDZBQOSA-N 1 2 492.521 4.989 20 0 JJADLO C[C@@H](Oc1ccccc1F)c1nnc(N(C)CCC(F)(F)F)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001360764963 1065847036 /nfs/dbraw/zinc/84/70/36/1065847036.db2.gz IIMUXTFLMZNXQM-QGZVFWFLSA-N 1 2 492.521 4.989 20 0 JJADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)Cc1csc(Cc2cccc(Cl)c2)n1 ZINC001360800053 1065911327 /nfs/dbraw/zinc/91/13/27/1065911327.db2.gz UBCSWNZXIWLVLN-UHFFFAOYSA-N 1 2 456.011 4.709 20 0 JJADLO O=C(NCc1cccc(OCC(F)F)c1)[C@@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001360806992 1065919325 /nfs/dbraw/zinc/91/93/25/1065919325.db2.gz ULVFKJMZYNYKCP-HXUWFJFHSA-N 1 2 453.327 4.546 20 0 JJADLO COc1cccc(C(=O)CCCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC001440566361 1065950489 /nfs/dbraw/zinc/95/04/89/1065950489.db2.gz LVPCBNVYJHSITR-UHFFFAOYSA-N 1 2 456.586 4.982 20 0 JJADLO CCCCc1oc2ccccc2c1CN(C)C(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC001440658697 1065960159 /nfs/dbraw/zinc/96/01/59/1065960159.db2.gz BHIDJJHAFZJZEW-UHFFFAOYSA-N 1 2 450.579 4.809 20 0 JJADLO CCCCc1oc2ccccc2c1CN(C)C(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC001440658697 1065960174 /nfs/dbraw/zinc/96/01/74/1065960174.db2.gz BHIDJJHAFZJZEW-UHFFFAOYSA-N 1 2 450.579 4.809 20 0 JJADLO CC[C@](O)(CC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1)c1ccccc1 ZINC001440679209 1065964474 /nfs/dbraw/zinc/96/44/74/1065964474.db2.gz FEPHIUCNSOCHHA-SANMLTNESA-N 1 2 452.595 4.886 20 0 JJADLO O=C([C@H]1CCN(c2ccccc2Cl)C1)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001440708922 1065968550 /nfs/dbraw/zinc/96/85/50/1065968550.db2.gz IQHJLALADAVKAN-SFHVURJKSA-N 1 2 451.920 4.530 20 0 JJADLO CCOc1ccc(OC(C)(C)C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC001440709282 1065968614 /nfs/dbraw/zinc/96/86/14/1065968614.db2.gz IFMQCFUDFCAIBL-UHFFFAOYSA-N 1 2 450.501 4.606 20 0 JJADLO Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H]3CCC[C@@H](C)C3)n2CC[N@@H+]2CCOC[C@@H]2C)c1C ZINC001360866591 1065989238 /nfs/dbraw/zinc/98/92/38/1065989238.db2.gz WACIRGSPKYMSHQ-NZRJUOQRSA-N 1 2 469.674 4.771 20 0 JJADLO Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H]3CCC[C@@H](C)C3)n2CC[N@H+]2CCOC[C@@H]2C)c1C ZINC001360866591 1065989256 /nfs/dbraw/zinc/98/92/56/1065989256.db2.gz WACIRGSPKYMSHQ-NZRJUOQRSA-N 1 2 469.674 4.771 20 0 JJADLO Cc1cccc(O[C@H](C)c2nnc(N3CC[C@H](C(C)(C)C)C3)n2C[C@@H](C)[NH+]2CCOCC2)c1C ZINC001360868743 1065993819 /nfs/dbraw/zinc/99/38/19/1065993819.db2.gz BIIVTXCHFISMQE-MZYLBHOOSA-N 1 2 469.674 4.628 20 0 JJADLO Cc1ccc(-c2noc(CCC[NH+]3CCN(C(=O)c4ccc(C(C)(C)C)s4)CC3)n2)cc1 ZINC001441184600 1066012704 /nfs/dbraw/zinc/01/27/04/1066012704.db2.gz FZEMHMDAPJOUQE-UHFFFAOYSA-N 1 2 452.624 4.795 20 0 JJADLO Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@H](C(F)(F)F)C3)n2C[C@H](C)[NH+]2CCOCC2)c1C ZINC001360875575 1066018724 /nfs/dbraw/zinc/01/87/24/1066018724.db2.gz VSIZBKWLJGDYRG-TYPHKJRUSA-N 1 2 495.590 4.534 20 0 JJADLO Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2C[C@H](C)[NH+]2CCOCC2)c1C ZINC001360875572 1066018762 /nfs/dbraw/zinc/01/87/62/1066018762.db2.gz VSIZBKWLJGDYRG-CEWLAPEOSA-N 1 2 495.590 4.534 20 0 JJADLO C[C@@H](C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N(C(=O)OC(C)(C)C)C1CC1 ZINC001441313026 1066025573 /nfs/dbraw/zinc/02/55/73/1066025573.db2.gz CCNXNCWGFDKJQO-KXBFYZLASA-N 1 2 453.986 4.520 20 0 JJADLO O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1c(C(F)(F)F)nc2n1CCCC2 ZINC001441315764 1066026179 /nfs/dbraw/zinc/02/61/79/1066026179.db2.gz FESSXJZKMJNGRF-HNNXBMFYSA-N 1 2 458.887 4.598 20 0 JJADLO CSc1ccc([C@H](CNC(=O)c2cnn(CC(C)C)c2)[N@@H+]2CCc3sccc3C2)cc1 ZINC001441476146 1066044836 /nfs/dbraw/zinc/04/48/36/1066044836.db2.gz UEZPDPZOIWWTIQ-QFIPXVFZSA-N 1 2 454.665 4.852 20 0 JJADLO CSc1ccc([C@H](CNC(=O)c2cnn(CC(C)C)c2)[N@H+]2CCc3sccc3C2)cc1 ZINC001441476146 1066044848 /nfs/dbraw/zinc/04/48/48/1066044848.db2.gz UEZPDPZOIWWTIQ-QFIPXVFZSA-N 1 2 454.665 4.852 20 0 JJADLO Cc1ccc(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1NC(=O)NC(C)(C)C ZINC001441656746 1066058111 /nfs/dbraw/zinc/05/81/11/1066058111.db2.gz GBGXHECMHYBUJM-OALUTQOASA-N 1 2 452.599 4.777 20 0 JJADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(N(C)C(=O)OC(C)(C)C)s2)C[C@@H](C)O1 ZINC001441656374 1066058192 /nfs/dbraw/zinc/05/81/92/1066058192.db2.gz DMWLQBNWVSMJGH-IAGOWNOFSA-N 1 2 459.612 4.981 20 0 JJADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cc2c(cncc2Br)s1 ZINC001360906323 1066060202 /nfs/dbraw/zinc/06/02/02/1066060202.db2.gz QVHLBKDUCSCJHU-UHFFFAOYSA-N 1 2 459.413 4.833 20 0 JJADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@]12CCN(C(=O)OC(C)(C)C)[C@H]1CCCC2 ZINC001360906312 1066060504 /nfs/dbraw/zinc/06/05/04/1066060504.db2.gz QOEACYQXJBTSFP-WXVAWEFUSA-N 1 2 470.658 4.716 20 0 JJADLO Cc1ncsc1CN(C)c1nnc([C@H]2CCCCO2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001360940534 1066097589 /nfs/dbraw/zinc/09/75/89/1066097589.db2.gz NFNMXJZQDCLINI-RBUKOAKNSA-N 1 2 476.597 4.502 20 0 JJADLO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)c2cnc(-c3c(Cl)cccc3Cl)s2)C[C@@H](C)O1 ZINC001442329937 1066116899 /nfs/dbraw/zinc/11/68/99/1066116899.db2.gz TZZJTFRJKDBLPZ-RBSFLKMASA-N 1 2 454.423 4.831 20 0 JJADLO COc1ccc(-c2cc(C(=O)NCc3[nH+]cc(C)c(OC)c3C)c3ccccc3n2)cc1OC ZINC001442658685 1066148042 /nfs/dbraw/zinc/14/80/42/1066148042.db2.gz OPHBNLWIVQGHMI-UHFFFAOYSA-N 1 2 457.530 4.869 20 0 JJADLO CCCc1c(C(=O)N2CC[NH2+][C@@H](c3ccc(Cl)cc3)C2)nnn1-c1cccc(C(C)C)c1 ZINC001454264272 1066259760 /nfs/dbraw/zinc/25/97/60/1066259760.db2.gz KXXXLLACDRUPJZ-JOCHJYFZSA-N 1 2 452.002 4.783 20 0 JJADLO CC[N@H+](CC(=O)N(C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1)Cc1ccccc1Cl ZINC001443057513 1066260454 /nfs/dbraw/zinc/26/04/54/1066260454.db2.gz VCFCSHSRIGRJHX-UHFFFAOYSA-N 1 2 450.023 4.552 20 0 JJADLO CC[N@@H+](CC(=O)N(C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1)Cc1ccccc1Cl ZINC001443057513 1066260473 /nfs/dbraw/zinc/26/04/73/1066260473.db2.gz VCFCSHSRIGRJHX-UHFFFAOYSA-N 1 2 450.023 4.552 20 0 JJADLO CC[C@@H](Cn1c(C)nnc1N(CC)CC1CCN(c2cccc[nH+]2)CC1)Oc1cccc(F)c1 ZINC001545954916 1066275107 /nfs/dbraw/zinc/27/51/07/1066275107.db2.gz MGLBDIOIQCJPKC-QHCPKHFHSA-N 1 2 466.605 4.721 20 0 JJADLO Cc1cc(NC(=O)[C@@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)ccc1-n1cc[nH+]c1 ZINC001443310805 1066293747 /nfs/dbraw/zinc/29/37/47/1066293747.db2.gz ILFJERFFEFICDR-JPYJTQIMSA-N 1 2 454.933 4.910 20 0 JJADLO CC[C@]1(C)CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCc2cccc(C)[nH+]2)C1 ZINC001546062751 1066296717 /nfs/dbraw/zinc/29/67/17/1066296717.db2.gz WNHFAAJXHITARM-AREMUKBSSA-N 1 2 481.044 4.824 20 0 JJADLO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)C1 ZINC001443387920 1066304683 /nfs/dbraw/zinc/30/46/83/1066304683.db2.gz QGWMIGJEWDMSSY-QZTJIDSGSA-N 1 2 455.603 4.571 20 0 JJADLO Cc1cccc(C)c1OCCC(=O)N1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC001454600028 1066308102 /nfs/dbraw/zinc/30/81/02/1066308102.db2.gz KERHJRAXJNWDET-UHFFFAOYSA-N 1 2 458.602 4.996 20 0 JJADLO O=C(Cc1ccc(-n2cc[nH+]c2)cc1)N1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC001443457406 1066313969 /nfs/dbraw/zinc/31/39/69/1066313969.db2.gz IGFGBRUGPWMIAU-OAQYLSRUSA-N 1 2 457.361 4.741 20 0 JJADLO C[C@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC001454657006 1066316576 /nfs/dbraw/zinc/31/65/76/1066316576.db2.gz DHXZDYAAPNAALH-PXNSSMCTSA-N 1 2 453.384 4.776 20 0 JJADLO O=C(c1cccnc1Nc1ccc(Cl)c(Cl)c1)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001454724224 1066326841 /nfs/dbraw/zinc/32/68/41/1066326841.db2.gz WIWZUWWYEWBOKM-UHFFFAOYSA-N 1 2 457.361 4.796 20 0 JJADLO O=C(Cc1cccc(C(F)(F)F)n1)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC001443627935 1066339209 /nfs/dbraw/zinc/33/92/09/1066339209.db2.gz ATPSVIWJGSHQJQ-UHFFFAOYSA-N 1 2 454.855 4.751 20 0 JJADLO O=C(c1c[nH]c(=O)c(C(F)(F)F)c1)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC001443631672 1066340801 /nfs/dbraw/zinc/34/08/01/1066340801.db2.gz JJWXQMAAQINSQY-UHFFFAOYSA-N 1 2 456.827 4.528 20 0 JJADLO O=C(c1csc(Br)n1)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC001443633493 1066341535 /nfs/dbraw/zinc/34/15/35/1066341535.db2.gz OKHHNESCICDTGC-UHFFFAOYSA-N 1 2 457.756 4.627 20 0 JJADLO Cc1cc(N2CCN(c3nnc(C(C)C)n3C[C@H](C)Oc3cccc(F)c3)CC2)nc(C(C)C)[nH+]1 ZINC001361102698 1066352240 /nfs/dbraw/zinc/35/22/40/1066352240.db2.gz BWUQQHMRZHXOFH-FQEVSTJZSA-N 1 2 481.620 4.557 20 0 JJADLO Cc1cc(N2CCN(c3nnc(CC4CCCC4)n3CCCC(F)(F)F)CC2)nc(C(C)C)[nH+]1 ZINC001361105518 1066354310 /nfs/dbraw/zinc/35/43/10/1066354310.db2.gz NEDJWLHQGFAIBI-UHFFFAOYSA-N 1 2 479.595 4.902 20 0 JJADLO CN(CCCNC(=O)c1ccccc1OCc1cccc(Br)c1)c1cccc[nH+]1 ZINC001455154912 1066366328 /nfs/dbraw/zinc/36/63/28/1066366328.db2.gz UBLGHYXMWMFMLU-UHFFFAOYSA-N 1 2 454.368 4.679 20 0 JJADLO O=C(Cc1ccc(Br)c(F)c1)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC001443884681 1066380943 /nfs/dbraw/zinc/38/09/43/1066380943.db2.gz LHDNARJHEFZRCW-INIZCTEOSA-N 1 2 457.746 4.704 20 0 JJADLO O=C(Cc1ccc(Br)c(F)c1)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC001443884681 1066380956 /nfs/dbraw/zinc/38/09/56/1066380956.db2.gz LHDNARJHEFZRCW-INIZCTEOSA-N 1 2 457.746 4.704 20 0 JJADLO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC001443883234 1066381387 /nfs/dbraw/zinc/38/13/87/1066381387.db2.gz KLUDVWSQQCBZNH-NSISKUIASA-N 1 2 468.013 4.643 20 0 JJADLO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC001443883234 1066381397 /nfs/dbraw/zinc/38/13/97/1066381397.db2.gz KLUDVWSQQCBZNH-NSISKUIASA-N 1 2 468.013 4.643 20 0 JJADLO O=C(N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)c1cccc(NCc2ccccn2)c1 ZINC001443890353 1066382246 /nfs/dbraw/zinc/38/22/46/1066382246.db2.gz ORNMZGRWYACRHV-HSZRJFAPSA-N 1 2 452.961 4.881 20 0 JJADLO O=C(N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)c1cccc(NCc2ccccn2)c1 ZINC001443890353 1066382257 /nfs/dbraw/zinc/38/22/57/1066382257.db2.gz ORNMZGRWYACRHV-HSZRJFAPSA-N 1 2 452.961 4.881 20 0 JJADLO C/C=C\[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC001443896492 1066383125 /nfs/dbraw/zinc/38/31/25/1066383125.db2.gz TYBXGVLMAGCFFN-AOAYEWICSA-N 1 2 480.024 4.619 20 0 JJADLO C/C=C\[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC001443896492 1066383142 /nfs/dbraw/zinc/38/31/42/1066383142.db2.gz TYBXGVLMAGCFFN-AOAYEWICSA-N 1 2 480.024 4.619 20 0 JJADLO CC(C)(C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)c1cc(C(F)(F)F)ccn1 ZINC001443900550 1066383439 /nfs/dbraw/zinc/38/34/39/1066383439.db2.gz VZMAQCMDDGOIOH-QGZVFWFLSA-N 1 2 457.899 4.951 20 0 JJADLO CC(C)(C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)c1cc(C(F)(F)F)ccn1 ZINC001443900550 1066383457 /nfs/dbraw/zinc/38/34/57/1066383457.db2.gz VZMAQCMDDGOIOH-QGZVFWFLSA-N 1 2 457.899 4.951 20 0 JJADLO Cc1ccc(C(C)C)c(OCc2nnc(N(C)OC3CCCC3)n2CC(C)(C)[NH+]2CCOCC2)c1 ZINC001361126750 1066385946 /nfs/dbraw/zinc/38/59/46/1066385946.db2.gz ZPKKOIDWGAGDFN-UHFFFAOYSA-N 1 2 485.673 4.710 20 0 JJADLO Cc1ccc(C(C)C)c(OCc2nnc(N3CCCC[C@H](C)C3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)c1 ZINC001361127158 1066387186 /nfs/dbraw/zinc/38/71/86/1066387186.db2.gz GHQIRHLXRANWGK-DEOSSOPVSA-N 1 2 496.744 4.941 20 0 JJADLO Cc1ccc(C(C)C)c(OCc2nnc(N3CCCC[C@H](C)C3)n2CC[N@H+]2CCN(C)C(C)(C)C2)c1 ZINC001361127158 1066387204 /nfs/dbraw/zinc/38/72/04/1066387204.db2.gz GHQIRHLXRANWGK-DEOSSOPVSA-N 1 2 496.744 4.941 20 0 JJADLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2cccc(CSc3nccn3C)c2)CC1 ZINC001455455876 1066392379 /nfs/dbraw/zinc/39/23/79/1066392379.db2.gz MGWSLPJHPGQSST-QHCPKHFHSA-N 1 2 452.599 4.761 20 0 JJADLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2c(C)nn(C)c2Sc2ccccc2)CC1 ZINC001455458943 1066392837 /nfs/dbraw/zinc/39/28/37/1066392837.db2.gz UKCJJFVAXSYPQD-JOCHJYFZSA-N 1 2 452.599 4.928 20 0 JJADLO C[C@@H](NC(=O)c1ncc(-c2cc(Cl)cc(Cl)c2)s1)C1([NH+]2CCOCC2)CCCC1 ZINC001444006931 1066393898 /nfs/dbraw/zinc/39/38/98/1066393898.db2.gz ZZHXZGALOKEJDG-CQSZACIVSA-N 1 2 454.423 4.880 20 0 JJADLO C[C@H](NC(=O)c1ncc(-c2cc(Cl)cc(Cl)c2)s1)C1([NH+]2CCOCC2)CCCC1 ZINC001444006922 1066394108 /nfs/dbraw/zinc/39/41/08/1066394108.db2.gz ZZHXZGALOKEJDG-AWEZNQCLSA-N 1 2 454.423 4.880 20 0 JJADLO Cc1ccc([C@@H](Cn2c(C(C)C)nnc2N2CC=C(C(C)(C)C)CC2)[NH+]2CCOCC2)cc1 ZINC001361135162 1066408452 /nfs/dbraw/zinc/40/84/52/1066408452.db2.gz KIZPQAMSAFTHBF-XMMPIXPASA-N 1 2 451.659 4.966 20 0 JJADLO Cc1ccc([C@@H](Cn2c(Cc3ccsc3)nnc2N(C)CCC(F)(F)F)[NH+]2CCOCC2)cc1 ZINC001361141246 1066420098 /nfs/dbraw/zinc/42/00/98/1066420098.db2.gz LRTSZAGFJMNLRM-OAQYLSRUSA-N 1 2 493.599 4.701 20 0 JJADLO C[NH+](C)Cc1csc(CNC(=O)[C@@](C)(Cc2nc3ccccc3s2)c2ccccc2)n1 ZINC001455882237 1066445265 /nfs/dbraw/zinc/44/52/65/1066445265.db2.gz XNOWNJQGWCPEMD-DEOSSOPVSA-N 1 2 450.633 4.631 20 0 JJADLO CC(=O)CCc1ccc(OCc2cccc(C(=O)N3CCC(Nc4cccc[nH+]4)CC3)c2)cc1 ZINC001455896034 1066447464 /nfs/dbraw/zinc/44/74/64/1066447464.db2.gz XVGUIQDFDMXUGI-UHFFFAOYSA-N 1 2 457.574 4.899 20 0 JJADLO CCCc1ccc(-c2ccc(NC(=O)CCC(=O)N3CCN(c4cccc[nH+]4)CC3)cc2)cc1 ZINC001444532480 1066472773 /nfs/dbraw/zinc/47/27/73/1066472773.db2.gz MFFJSXIKWXVCSE-UHFFFAOYSA-N 1 2 456.590 4.769 20 0 JJADLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)COC(c1ccccc1)c1ccccc1 ZINC001361172566 1066490020 /nfs/dbraw/zinc/49/00/20/1066490020.db2.gz GIVXTKHNTPZCKN-XMMPIXPASA-N 1 2 458.602 4.542 20 0 JJADLO CN(C)c1ccc([NH+]2CCC(NC(=O)c3ccc(N(C)C(=O)OC(C)(C)C)s3)CC2)cc1 ZINC001444749776 1066501292 /nfs/dbraw/zinc/50/12/92/1066501292.db2.gz UTCIYBBXAJLLJZ-UHFFFAOYSA-N 1 2 458.628 4.584 20 0 JJADLO CCN(CC1CCN(C(=O)C[N@H+](CC)Cc2ccccc2Cl)CC1)C(=O)OC(C)(C)C ZINC001444767304 1066502862 /nfs/dbraw/zinc/50/28/62/1066502862.db2.gz HIRPZKHVKNAWEN-UHFFFAOYSA-N 1 2 452.039 4.658 20 0 JJADLO CCN(CC1CCN(C(=O)C[N@@H+](CC)Cc2ccccc2Cl)CC1)C(=O)OC(C)(C)C ZINC001444767304 1066502871 /nfs/dbraw/zinc/50/28/71/1066502871.db2.gz HIRPZKHVKNAWEN-UHFFFAOYSA-N 1 2 452.039 4.658 20 0 JJADLO Cc1ccc(-c2nnc(N(C)C[C@H]3CCCCO3)n2CCCNc2cccc[nH+]2)cc1Br ZINC001361183132 1066505226 /nfs/dbraw/zinc/50/52/26/1066505226.db2.gz FXTJQTAEFCYSCI-HXUWFJFHSA-N 1 2 499.457 4.919 20 0 JJADLO O=C(NCC1(c2cccc(Br)c2)CCCCC1)c1cc(-n2cc[nH+]c2)ccc1O ZINC001445060978 1066535925 /nfs/dbraw/zinc/53/59/25/1066535925.db2.gz FRQMNPVAXUUPLM-UHFFFAOYSA-N 1 2 454.368 4.972 20 0 JJADLO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccc(-c3nc4cccc(Cl)c4s3)cc2)C1 ZINC001445084881 1066538207 /nfs/dbraw/zinc/53/82/07/1066538207.db2.gz XSUTWXUXTXPORO-INIZCTEOSA-N 1 2 457.983 4.830 20 0 JJADLO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(-c3nc4cccc(Cl)c4s3)cc2)C1 ZINC001445084881 1066538216 /nfs/dbraw/zinc/53/82/16/1066538216.db2.gz XSUTWXUXTXPORO-INIZCTEOSA-N 1 2 457.983 4.830 20 0 JJADLO Cc1ccc(-c2nnc(N3CC[NH+](Cc4cccc(Cl)c4)CC3)n2CCCOC(F)(F)F)o1 ZINC001361224101 1066562340 /nfs/dbraw/zinc/56/23/40/1066562340.db2.gz JIUASTINPIDCHY-UHFFFAOYSA-N 1 2 483.922 4.749 20 0 JJADLO Cc1cccc(C(NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)c2cccc(C)c2)c1 ZINC001445387411 1066565648 /nfs/dbraw/zinc/56/56/48/1066565648.db2.gz AJLFFOYWCKNLNW-VWLOTQADSA-N 1 2 458.606 4.540 20 0 JJADLO Cc1cccc(C(NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)c2cccc(C)c2)c1 ZINC001445387411 1066565656 /nfs/dbraw/zinc/56/56/56/1066565656.db2.gz AJLFFOYWCKNLNW-VWLOTQADSA-N 1 2 458.606 4.540 20 0 JJADLO O=C(N[C@@H](c1ccccc1Cl)c1cc(F)ccc1F)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001456354868 1066568469 /nfs/dbraw/zinc/56/84/69/1066568469.db2.gz VXFBGQCSAYOUBY-RPWUZVMVSA-N 1 2 456.920 4.725 20 0 JJADLO O=C(N[C@@H](c1ccccc1Cl)c1cc(F)ccc1F)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001456354868 1066568477 /nfs/dbraw/zinc/56/84/77/1066568477.db2.gz VXFBGQCSAYOUBY-RPWUZVMVSA-N 1 2 456.920 4.725 20 0 JJADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)CCc2cc(C(F)(F)F)ccc2Br)C1 ZINC001445630478 1066595864 /nfs/dbraw/zinc/59/58/64/1066595864.db2.gz PYHWVDRTEUTWTI-AWEZNQCLSA-N 1 2 458.322 4.615 20 0 JJADLO Cc1ccc(OCc2nc(CC(=O)NCc3cc[nH+]c(N4CCCCCC4)c3)cs2)cc1 ZINC001446283719 1066685233 /nfs/dbraw/zinc/68/52/33/1066685233.db2.gz CWXDMCKPDQLNJA-UHFFFAOYSA-N 1 2 450.608 4.665 20 0 JJADLO Cc1cnc(C2CCN(c3nnc(CC(C)(C)C)n3Cc3ccc(N(C)C)[nH+]c3)CC2)s1 ZINC001492633638 1066714865 /nfs/dbraw/zinc/71/48/65/1066714865.db2.gz JJDYICPBZNRYIS-UHFFFAOYSA-N 1 2 453.660 4.525 20 0 JJADLO O=C(C[C@@H](O)c1cccc(F)c1)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC001446525030 1066715260 /nfs/dbraw/zinc/71/52/60/1066715260.db2.gz ACUALAZNIKNWPL-AOYPEHQESA-N 1 2 452.957 4.836 20 0 JJADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)Cn2c3ccccc3nc2SC(F)F)c(C)c1 ZINC001446586525 1066723876 /nfs/dbraw/zinc/72/38/76/1066723876.db2.gz SNZYWHVQFPZFRC-IBGZPJMESA-N 1 2 455.534 4.722 20 0 JJADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C ZINC001456926993 1066723983 /nfs/dbraw/zinc/72/39/83/1066723983.db2.gz HCJNHZAMDGTGFB-FCHUYYIVSA-N 1 2 458.647 4.620 20 0 JJADLO Cc1nc(SC(F)(F)F)sc1CC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC001446588806 1066724612 /nfs/dbraw/zinc/72/46/12/1066724612.db2.gz UULKMNRLXXCDPI-MRXNPFEDSA-N 1 2 454.543 4.977 20 0 JJADLO CC(C)(C)OC(=O)N1C[C@H](C(=O)NCc2ccccc2-n2cc[nH+]c2)[C@@H](c2ccc(Cl)cc2)C1 ZINC001446989219 1066762557 /nfs/dbraw/zinc/76/25/57/1066762557.db2.gz REXQOVDXYYLWCE-YADHBBJMSA-N 1 2 480.996 4.793 20 0 JJADLO CC(C)(C)OC(=O)N1CCC[C@@]2(CCCCN2C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC001457204419 1066789260 /nfs/dbraw/zinc/78/92/60/1066789260.db2.gz WKAXHVKBQSBJHK-RLWLMLJZSA-N 1 2 452.599 4.714 20 0 JJADLO Cc1nc(Cc2nnc(N(C)CCOC(C)(C)C)n2Cc2ccc(N3CCC(C)CC3)[nH+]c2)cs1 ZINC001492669025 1066797494 /nfs/dbraw/zinc/79/74/94/1066797494.db2.gz GTBWETKWCZNTKN-UHFFFAOYSA-N 1 2 497.713 4.565 20 0 JJADLO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC001457505218 1066845388 /nfs/dbraw/zinc/84/53/88/1066845388.db2.gz UFOSTABJQPZZDA-KRWDZBQOSA-N 1 2 456.395 4.606 20 0 JJADLO CC(C)(C)[N@H+]1CC[C@H]1C(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC001457505218 1066845401 /nfs/dbraw/zinc/84/54/01/1066845401.db2.gz UFOSTABJQPZZDA-KRWDZBQOSA-N 1 2 456.395 4.606 20 0 JJADLO Cc1ncc(C[NH+]2CCN(c3nnc(CC(C)(C)C)n3CCO[C@@H]3CCCC[C@H]3C)CC2)s1 ZINC001492701714 1066858559 /nfs/dbraw/zinc/85/85/59/1066858559.db2.gz CZGHEPWTKCUFDT-DENIHFKCSA-N 1 2 474.719 4.549 20 0 JJADLO Cc1ncc(C[NH+]2CCN(c3nnc(CC(C)(C)C)n3CCO[C@H]3CCCC[C@H]3C)CC2)s1 ZINC001492701715 1066858629 /nfs/dbraw/zinc/85/86/29/1066858629.db2.gz CZGHEPWTKCUFDT-KNQAVFIVSA-N 1 2 474.719 4.549 20 0 JJADLO Cc1ncc(C[NH+]2CCN(c3nnc(C(C)(C)C)n3C[C@@H](C)c3ccc(F)cc3)CC2)s1 ZINC001492702038 1066859921 /nfs/dbraw/zinc/85/99/21/1066859921.db2.gz PVUZKMPCCHTXCC-QGZVFWFLSA-N 1 2 456.635 4.606 20 0 JJADLO Cc1ncc(C[NH+]2CCN(c3nnc(-c4ccccc4Cl)n3CCSC(C)C)CC2)s1 ZINC001492702013 1066859989 /nfs/dbraw/zinc/85/99/89/1066859989.db2.gz OSJHIIFEGJEQPY-UHFFFAOYSA-N 1 2 477.103 4.827 20 0 JJADLO C[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c1c(F)cccc1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC001457711001 1066902164 /nfs/dbraw/zinc/90/21/64/1066902164.db2.gz OHUJCRFSNPRFEU-QVKFZJNVSA-N 1 2 456.493 4.594 20 0 JJADLO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3ccco3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)n1 ZINC001492732119 1066903692 /nfs/dbraw/zinc/90/36/92/1066903692.db2.gz JMEJGUBUEDFLHC-GHTZIAJQSA-N 1 2 483.567 4.511 20 0 JJADLO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3ccco3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)n1 ZINC001492732122 1066904146 /nfs/dbraw/zinc/90/41/46/1066904146.db2.gz JMEJGUBUEDFLHC-WIYYLYMNSA-N 1 2 483.567 4.511 20 0 JJADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 ZINC001457725772 1066905332 /nfs/dbraw/zinc/90/53/32/1066905332.db2.gz QQPILFSLUPKNNM-HSZRJFAPSA-N 1 2 455.917 4.778 20 0 JJADLO Cc1cc(C)n(Cc2nnc(N(CC(C)C)C(C)C)n2Cc2ccc(N3CCC(C)CC3)[nH+]c2)n1 ZINC001492739905 1066914575 /nfs/dbraw/zinc/91/45/75/1066914575.db2.gz AGYWUJWIRXHXFG-UHFFFAOYSA-N 1 2 478.689 4.690 20 0 JJADLO Cc1ccc(C(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)cc1NC(=O)NC(C)(C)C ZINC001448498433 1066933702 /nfs/dbraw/zinc/93/37/02/1066933702.db2.gz AOJVVAFDEPOEGM-LJQANCHMSA-N 1 2 451.615 4.973 20 0 JJADLO Cc1ccc(C(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)cc1NC(=O)NC(C)(C)C ZINC001448498433 1066933708 /nfs/dbraw/zinc/93/37/08/1066933708.db2.gz AOJVVAFDEPOEGM-LJQANCHMSA-N 1 2 451.615 4.973 20 0 JJADLO CC(C)(C)OC(=O)/C=C/c1cc(C(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)co1 ZINC001448618563 1066943419 /nfs/dbraw/zinc/94/34/19/1066943419.db2.gz DBZHCYHEMUBSCM-BQYQJAHWSA-N 1 2 455.942 4.827 20 0 JJADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(NCCc3ccc(F)cc3)c2c1C ZINC001458064429 1066965497 /nfs/dbraw/zinc/96/54/97/1066965497.db2.gz UDBQXCUZAOADIW-UHFFFAOYSA-N 1 2 456.587 4.956 20 0 JJADLO Cc1nc(-c2ccc(C)cc2Br)sc1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001458073220 1066967770 /nfs/dbraw/zinc/96/77/70/1066967770.db2.gz XTZZEASXKYAEAN-OAHLLOKOSA-N 1 2 457.397 4.593 20 0 JJADLO CC[C@H](c1nnc(N(CC(C)C)C2CCCC2)n1CC[N@@H+]1CCOC[C@@H]1C)c1ccccc1 ZINC001545728555 1066986054 /nfs/dbraw/zinc/98/60/54/1066986054.db2.gz NKWBYEOUHRHWJG-DHLKQENFSA-N 1 2 453.675 4.946 20 0 JJADLO CC[C@H](c1nnc(N(CC(C)C)C2CCCC2)n1CC[N@H+]1CCOC[C@@H]1C)c1ccccc1 ZINC001545728555 1066986062 /nfs/dbraw/zinc/98/60/62/1066986062.db2.gz NKWBYEOUHRHWJG-DHLKQENFSA-N 1 2 453.675 4.946 20 0 JJADLO CC[C@H](c1nnc(N(CC(C)C)C2CCCC2)n1CC[N@@H+]1CCOC[C@H]1C)c1ccccc1 ZINC001545728557 1066986081 /nfs/dbraw/zinc/98/60/81/1066986081.db2.gz NKWBYEOUHRHWJG-RDGATRHJSA-N 1 2 453.675 4.946 20 0 JJADLO CC[C@H](c1nnc(N(CC(C)C)C2CCCC2)n1CC[N@H+]1CCOC[C@H]1C)c1ccccc1 ZINC001545728557 1066986090 /nfs/dbraw/zinc/98/60/90/1066986090.db2.gz NKWBYEOUHRHWJG-RDGATRHJSA-N 1 2 453.675 4.946 20 0 JJADLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(-c2c(F)cccc2F)no1 ZINC001458154565 1066990067 /nfs/dbraw/zinc/99/00/67/1066990067.db2.gz OBFBFBCMAMOHJK-KSFYIVLOSA-N 1 2 454.521 4.696 20 0 JJADLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(-c2c(F)cccc2F)no1 ZINC001458154565 1066990083 /nfs/dbraw/zinc/99/00/83/1066990083.db2.gz OBFBFBCMAMOHJK-KSFYIVLOSA-N 1 2 454.521 4.696 20 0 JJADLO C[C@@H]1CCCC[C@H]1OCC(=O)N1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC001458173426 1066996332 /nfs/dbraw/zinc/99/63/32/1066996332.db2.gz OZZYGBANLRBXRX-ZEQKJWHPSA-N 1 2 450.623 4.532 20 0 JJADLO CC[C@@H](c1nnc(N2CC[C@H](C)[C@@H](OC)C2)n1Cc1ccc(N(CC)CC)[nH+]c1)c1ccccc1 ZINC001545736657 1067000435 /nfs/dbraw/zinc/00/04/35/1067000435.db2.gz UAFRMYMRIPMADY-GPUOULLFSA-N 1 2 476.669 4.971 20 0 JJADLO CC[C@@H](C)[C@@H](Cn1c([C@H](CC)c2ccccc2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1)OC ZINC001545743852 1067010821 /nfs/dbraw/zinc/01/08/21/1067010821.db2.gz RXRKPLUYHSGSEZ-QFZRFWILSA-N 1 2 476.669 4.905 20 0 JJADLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)C(F)(F)c2ccc(C(C)(C)C)cc2)c2ccc(Cl)cc2)C1 ZINC001458451560 1067065720 /nfs/dbraw/zinc/06/57/20/1067065720.db2.gz HOOAKNDMGGOFIZ-SFTDATJTSA-N 1 2 450.957 4.917 20 0 JJADLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)C(F)(F)c2ccc(C(C)(C)C)cc2)c2ccc(Cl)cc2)C1 ZINC001458451560 1067065733 /nfs/dbraw/zinc/06/57/33/1067065733.db2.gz HOOAKNDMGGOFIZ-SFTDATJTSA-N 1 2 450.957 4.917 20 0 JJADLO CCCCOc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)c(Cl)c1 ZINC001458452950 1067066788 /nfs/dbraw/zinc/06/67/88/1067066788.db2.gz KMWAQDOILDFIIZ-VXKWHMMOSA-N 1 2 451.394 4.974 20 0 JJADLO CCCCOc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)c(Cl)c1 ZINC001458452950 1067066801 /nfs/dbraw/zinc/06/68/01/1067066801.db2.gz KMWAQDOILDFIIZ-VXKWHMMOSA-N 1 2 451.394 4.974 20 0 JJADLO CC(C)(C)OC(=O)N1CC[NH+](Cc2ccc(CNc3cc(-c4ccccc4)ncn3)cc2)CC1 ZINC001458575211 1067090376 /nfs/dbraw/zinc/09/03/76/1067090376.db2.gz BOZRPHBHTWLTPV-UHFFFAOYSA-N 1 2 459.594 4.808 20 0 JJADLO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)c1 ZINC001458806340 1067150605 /nfs/dbraw/zinc/15/06/05/1067150605.db2.gz AYNVKGNJBPPHIA-KRWDZBQOSA-N 1 2 458.400 4.963 20 0 JJADLO CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccc(F)cc2)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001545826849 1067176289 /nfs/dbraw/zinc/17/62/89/1067176289.db2.gz VEWDMLNQGNBTOG-AZUAARDMSA-N 1 2 481.620 4.616 20 0 JJADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)CSc2nccn2-c2ccc(C)c(C)c2)c(C)c1 ZINC001546037366 1067217330 /nfs/dbraw/zinc/21/73/30/1067217330.db2.gz CCCDOBBWVPDWMK-XMMPIXPASA-N 1 2 459.619 4.952 20 0 JJADLO COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)C[N@H+](C)CCOc2cccc(C)c2)cc1 ZINC001459330430 1067296517 /nfs/dbraw/zinc/29/65/17/1067296517.db2.gz HDTLBLBUSDRVIN-HHHXNRCGSA-N 1 2 457.574 4.692 20 0 JJADLO COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)C[N@@H+](C)CCOc2cccc(C)c2)cc1 ZINC001459330430 1067296528 /nfs/dbraw/zinc/29/65/28/1067296528.db2.gz HDTLBLBUSDRVIN-HHHXNRCGSA-N 1 2 457.574 4.692 20 0 JJADLO C[Si](C)(C)c1ccc(C[NH+]2CCN(C(=O)c3ccc(OCc4ccccc4)cc3)CC2)cc1 ZINC001459374116 1067306784 /nfs/dbraw/zinc/30/67/84/1067306784.db2.gz BDRABLUOBONUOH-UHFFFAOYSA-N 1 2 458.678 4.769 20 0 JJADLO CCOC(=O)c1cc(C)sc1NC(=O)C[N@H+](Cc1cccc(Br)c1)C1CC1 ZINC001459390019 1067310937 /nfs/dbraw/zinc/31/09/37/1067310937.db2.gz YNDQGZWOSZABAG-UHFFFAOYSA-N 1 2 451.386 4.599 20 0 JJADLO CCOC(=O)c1cc(C)sc1NC(=O)C[N@@H+](Cc1cccc(Br)c1)C1CC1 ZINC001459390019 1067310950 /nfs/dbraw/zinc/31/09/50/1067310950.db2.gz YNDQGZWOSZABAG-UHFFFAOYSA-N 1 2 451.386 4.599 20 0 JJADLO COc1ccc2c(c1)CCC[N@@H+](CC(=O)N(C)[C@]1(c3ccccc3Cl)CCCCC1=O)C2 ZINC001459435033 1067324908 /nfs/dbraw/zinc/32/49/08/1067324908.db2.gz CLOHWRQRRNXYDN-SANMLTNESA-N 1 2 454.998 4.594 20 0 JJADLO COc1ccc2c(c1)CCC[N@H+](CC(=O)N(C)[C@]1(c3ccccc3Cl)CCCCC1=O)C2 ZINC001459435033 1067324919 /nfs/dbraw/zinc/32/49/19/1067324919.db2.gz CLOHWRQRRNXYDN-SANMLTNESA-N 1 2 454.998 4.594 20 0 JJADLO Cc1nc(C)c([C@H](C)[N@H+](C)CC(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)s1 ZINC001459472503 1067333640 /nfs/dbraw/zinc/33/36/40/1067333640.db2.gz BGWIEELNQWCINA-SFHVURJKSA-N 1 2 450.608 4.630 20 0 JJADLO Cc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)s1 ZINC001459472503 1067333653 /nfs/dbraw/zinc/33/36/53/1067333653.db2.gz BGWIEELNQWCINA-SFHVURJKSA-N 1 2 450.608 4.630 20 0 JJADLO Cc1sc(NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)nc1-c1ccc2c(c1)CCC(=O)N2 ZINC001459587567 1067357801 /nfs/dbraw/zinc/35/78/01/1067357801.db2.gz WOFLBUAGMOQZNS-NRFANRHFSA-N 1 2 454.983 4.898 20 0 JJADLO O=C(NC[C@H]1CCCC[N@H+]1Cc1ncc(-c2cccc(Br)c2)o1)c1ccccc1 ZINC001459607424 1067362350 /nfs/dbraw/zinc/36/23/50/1067362350.db2.gz IUUNKVXZMIQOBL-HXUWFJFHSA-N 1 2 454.368 4.889 20 0 JJADLO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ncc(-c2cccc(Br)c2)o1)c1ccccc1 ZINC001459607424 1067362359 /nfs/dbraw/zinc/36/23/59/1067362359.db2.gz IUUNKVXZMIQOBL-HXUWFJFHSA-N 1 2 454.368 4.889 20 0 JJADLO CO[C@@H](C[NH+]1CCN(C(=O)[C@@H](C)Oc2ccc(C)cc2Cl)CC1)c1ccc(Cl)cc1 ZINC001459621847 1067366411 /nfs/dbraw/zinc/36/64/11/1067366411.db2.gz JSRAOVBSKDHAKB-VGSWGCGISA-N 1 2 451.394 4.601 20 0 JJADLO CO[C@H](C[NH+]1CCN(C(=O)[C@@H](C)Oc2ccc(C)cc2Cl)CC1)c1ccc(Cl)cc1 ZINC001459621829 1067366461 /nfs/dbraw/zinc/36/64/61/1067366461.db2.gz JSRAOVBSKDHAKB-VGOFRKELSA-N 1 2 451.394 4.601 20 0 JJADLO Clc1ccccc1CN1CC[NH+](Cc2ccnc(-c3ccc(Br)cc3)n2)CC1 ZINC001459649883 1067371732 /nfs/dbraw/zinc/37/17/32/1067371732.db2.gz HWNVXPUQAOAVAG-UHFFFAOYSA-N 1 2 457.803 4.877 20 0 JJADLO COc1ccc(OC)c(-c2csc(NC(=O)C[N@H+](C)[C@@H]3CCCc4nc(C)sc43)n2)c1 ZINC001459707642 1067390373 /nfs/dbraw/zinc/39/03/73/1067390373.db2.gz LOCRSQKALGMCML-GOSISDBHSA-N 1 2 458.609 4.540 20 0 JJADLO COc1ccc(OC)c(-c2csc(NC(=O)C[N@@H+](C)[C@@H]3CCCc4nc(C)sc43)n2)c1 ZINC001459707642 1067390386 /nfs/dbraw/zinc/39/03/86/1067390386.db2.gz LOCRSQKALGMCML-GOSISDBHSA-N 1 2 458.609 4.540 20 0 JJADLO COc1ccc(OC)c(-c2csc(NC(=O)C[N@H+](C)[C@H]3CCCc4nc(C)sc43)n2)c1 ZINC001459707643 1067390449 /nfs/dbraw/zinc/39/04/49/1067390449.db2.gz LOCRSQKALGMCML-SFHVURJKSA-N 1 2 458.609 4.540 20 0 JJADLO COc1ccc(OC)c(-c2csc(NC(=O)C[N@@H+](C)[C@H]3CCCc4nc(C)sc43)n2)c1 ZINC001459707643 1067390460 /nfs/dbraw/zinc/39/04/60/1067390460.db2.gz LOCRSQKALGMCML-SFHVURJKSA-N 1 2 458.609 4.540 20 0 JJADLO COc1cc(NC(=O)C[N@@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)c(OC)cc1Cl ZINC001459759627 1067410830 /nfs/dbraw/zinc/41/08/30/1067410830.db2.gz HSYONYPJQOALPB-CYBMUJFWSA-N 1 2 459.757 4.756 20 0 JJADLO COc1cc(NC(=O)C[N@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)c(OC)cc1Cl ZINC001459759627 1067410836 /nfs/dbraw/zinc/41/08/36/1067410836.db2.gz HSYONYPJQOALPB-CYBMUJFWSA-N 1 2 459.757 4.756 20 0 JJADLO O=C(CC[N@H+]1CCc2c(F)cc(Br)cc2C1)Nc1ccccc1Br ZINC001459761409 1067411816 /nfs/dbraw/zinc/41/18/16/1067411816.db2.gz FKBMYQUMWHCKJG-UHFFFAOYSA-N 1 2 456.153 4.738 20 0 JJADLO O=C(CC[N@@H+]1CCc2c(F)cc(Br)cc2C1)Nc1ccccc1Br ZINC001459761409 1067411821 /nfs/dbraw/zinc/41/18/21/1067411821.db2.gz FKBMYQUMWHCKJG-UHFFFAOYSA-N 1 2 456.153 4.738 20 0 JJADLO COC(=O)C(C)(C)[C@@H]([NH2+]Cc1csc(CC(=O)Nc2ccccc2C)n1)c1ccccc1 ZINC001459824904 1067440885 /nfs/dbraw/zinc/44/08/85/1067440885.db2.gz HPOUGIPUKOEBQS-QHCPKHFHSA-N 1 2 451.592 4.663 20 0 JJADLO CCC1(CC)CCN(c2nnc(CNC(=O)c3cccs3)n2CCCc2cccc(C)[nH+]2)C1 ZINC001546112308 1067459904 /nfs/dbraw/zinc/45/99/04/1067459904.db2.gz MEXISJWFRALTTN-UHFFFAOYSA-N 1 2 466.655 4.622 20 0 JJADLO Cc1cc(I)ccc1NC(=O)C[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC001459899083 1067479357 /nfs/dbraw/zinc/47/93/57/1067479357.db2.gz BAOHBXZKPGOQEL-LBPRGKRZSA-N 1 2 457.381 4.643 20 0 JJADLO C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NCc1ccccc1)c1nc(C(C)(C)C)cs1 ZINC001459901070 1067480425 /nfs/dbraw/zinc/48/04/25/1067480425.db2.gz FMWZLHCVZIPBNA-QGZVFWFLSA-N 1 2 450.608 4.660 20 0 JJADLO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+]C1(c2noc(C3CCCCC3)n2)CCCCCC1 ZINC001459915382 1067488262 /nfs/dbraw/zinc/48/82/62/1067488262.db2.gz SLPMWCGKGPGPNP-LJQANCHMSA-N 1 2 450.624 4.532 20 0 JJADLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC001459972496 1067511123 /nfs/dbraw/zinc/51/11/23/1067511123.db2.gz WJWSIPBAQGNKNZ-VQIMIIECSA-N 1 2 456.414 4.646 20 0 JJADLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC001459972496 1067511132 /nfs/dbraw/zinc/51/11/32/1067511132.db2.gz WJWSIPBAQGNKNZ-VQIMIIECSA-N 1 2 456.414 4.646 20 0 JJADLO Cc1cc(C)c(CC(=O)N(CCn2cc[nH+]c2)C2CCSCC2)c(C)c1Br ZINC001459990108 1067517061 /nfs/dbraw/zinc/51/70/61/1067517061.db2.gz JCMPCACMUMLDGD-UHFFFAOYSA-N 1 2 450.446 4.538 20 0 JJADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC001460020629 1067530938 /nfs/dbraw/zinc/53/09/38/1067530938.db2.gz RVAPRKYWEHUOJB-SSDOTTSWSA-N 1 2 456.273 4.545 20 0 JJADLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC001460059108 1067541980 /nfs/dbraw/zinc/54/19/80/1067541980.db2.gz IVEHJJGEDQYSMY-AWEZNQCLSA-N 1 2 456.892 4.678 20 0 JJADLO Cn1c(C[NH+]2CCC(O)(c3ccccc3C(F)(F)F)CC2)nnc1-c1ccc(Cl)cc1 ZINC001460060877 1067542210 /nfs/dbraw/zinc/54/22/10/1067542210.db2.gz SKMKJTFYSUZQIF-UHFFFAOYSA-N 1 2 450.892 4.638 20 0 JJADLO COc1ccccc1O[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2I)C1 ZINC001460079351 1067548502 /nfs/dbraw/zinc/54/85/02/1067548502.db2.gz WMRUBLVYXNDBTF-INIZCTEOSA-N 1 2 457.739 4.997 20 0 JJADLO COc1ccccc1O[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2I)C1 ZINC001460079351 1067548505 /nfs/dbraw/zinc/54/85/05/1067548505.db2.gz WMRUBLVYXNDBTF-INIZCTEOSA-N 1 2 457.739 4.997 20 0 JJADLO Cc1cccc(Cl)c1NC(=O)C[NH+]1CCC([C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC001460106569 1067556316 /nfs/dbraw/zinc/55/63/16/1067556316.db2.gz QVUCJMVYLMABKY-NRFANRHFSA-N 1 2 450.023 4.944 20 0 JJADLO CC(C)n1cc(C2=CCC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3C(=O)c3ccccc3)CC2)nn1 ZINC001460148084 1067564893 /nfs/dbraw/zinc/56/48/93/1067564893.db2.gz MYRHBQUXOLPBFA-FQEVSTJZSA-N 1 2 457.578 4.596 20 0 JJADLO CC(C)n1cc(C2=CCC[N@H+]([C@@H](C)C(=O)Nc3ccccc3C(=O)c3ccccc3)CC2)nn1 ZINC001460148084 1067564904 /nfs/dbraw/zinc/56/49/04/1067564904.db2.gz MYRHBQUXOLPBFA-FQEVSTJZSA-N 1 2 457.578 4.596 20 0 JJADLO COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)C[N@H+](C)Cc2ccccc2N(C)C)cc1 ZINC001460201580 1067578262 /nfs/dbraw/zinc/57/82/62/1067578262.db2.gz FWDAAOPSAZXIKR-HHHXNRCGSA-N 1 2 456.590 4.571 20 0 JJADLO COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)C[N@@H+](C)Cc2ccccc2N(C)C)cc1 ZINC001460201580 1067578268 /nfs/dbraw/zinc/57/82/68/1067578268.db2.gz FWDAAOPSAZXIKR-HHHXNRCGSA-N 1 2 456.590 4.571 20 0 JJADLO Cc1ccc(-c2cc(NC(=O)C[N@@H+](C)Cc3ccccc3N(C)C)n(-c3ccccc3)n2)cc1 ZINC001460205661 1067578585 /nfs/dbraw/zinc/57/85/85/1067578585.db2.gz QNWVVQCOROACMX-UHFFFAOYSA-N 1 2 453.590 4.984 20 0 JJADLO Cc1ccc(-c2cc(NC(=O)C[N@H+](C)Cc3ccccc3N(C)C)n(-c3ccccc3)n2)cc1 ZINC001460205661 1067578590 /nfs/dbraw/zinc/57/85/90/1067578590.db2.gz QNWVVQCOROACMX-UHFFFAOYSA-N 1 2 453.590 4.984 20 0 JJADLO Cc1ccc(-c2csc(NC(=O)C[N@H+]3CC[C@H](C)[C@@H](CNC(=O)OC(C)(C)C)C3)n2)cc1 ZINC001460209022 1067579678 /nfs/dbraw/zinc/57/96/78/1067579678.db2.gz YDRDMTRNTCEAEV-HKUYNNGSSA-N 1 2 458.628 4.540 20 0 JJADLO Cc1ccc(-c2csc(NC(=O)C[N@@H+]3CC[C@H](C)[C@@H](CNC(=O)OC(C)(C)C)C3)n2)cc1 ZINC001460209022 1067579686 /nfs/dbraw/zinc/57/96/86/1067579686.db2.gz YDRDMTRNTCEAEV-HKUYNNGSSA-N 1 2 458.628 4.540 20 0 JJADLO CCC1(CC)CN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(N(C)C)[nH+]c2)CCS1 ZINC001546114704 1067581653 /nfs/dbraw/zinc/58/16/53/1067581653.db2.gz CLLJKIPAHSPTJK-UHFFFAOYSA-N 1 2 472.062 4.615 20 0 JJADLO C[N@@H+](CC(=O)Nc1cccc(Oc2ccccc2)c1)C[C@@H](O)c1cccc(Br)c1 ZINC001460237099 1067587392 /nfs/dbraw/zinc/58/73/92/1067587392.db2.gz IFLNWLDOMNREKP-JOCHJYFZSA-N 1 2 455.352 4.845 20 0 JJADLO C[N@H+](CC(=O)Nc1cccc(Oc2ccccc2)c1)C[C@@H](O)c1cccc(Br)c1 ZINC001460237099 1067587398 /nfs/dbraw/zinc/58/73/98/1067587398.db2.gz IFLNWLDOMNREKP-JOCHJYFZSA-N 1 2 455.352 4.845 20 0 JJADLO C[N@@H+](CC(=O)N(Cc1ccccc1)c1ccccc1)C[C@H](O)c1cccc(Br)c1 ZINC001460240072 1067588749 /nfs/dbraw/zinc/58/87/49/1067588749.db2.gz VCIGVIWSOQGDSA-QHCPKHFHSA-N 1 2 453.380 4.648 20 0 JJADLO C[N@H+](CC(=O)N(Cc1ccccc1)c1ccccc1)C[C@H](O)c1cccc(Br)c1 ZINC001460240072 1067588757 /nfs/dbraw/zinc/58/87/57/1067588757.db2.gz VCIGVIWSOQGDSA-QHCPKHFHSA-N 1 2 453.380 4.648 20 0 JJADLO CC(C)(C)OC(=O)N1CCC12CC[NH+](CC(=O)Nc1ccc(Oc3ccccc3)cc1)CC2 ZINC001460265256 1067593599 /nfs/dbraw/zinc/59/35/99/1067593599.db2.gz RPXYNBLGZDFGDX-UHFFFAOYSA-N 1 2 451.567 4.893 20 0 JJADLO Cn1cc([C@@H]2C[N@H+](Cc3nc4c(s3)C(C)(C)CC(C)(C)C4)C[C@H]2NC(=O)OC(C)(C)C)cn1 ZINC001460275386 1067595686 /nfs/dbraw/zinc/59/56/86/1067595686.db2.gz ANPVYDMEJDBHDF-PKOBYXMFSA-N 1 2 473.687 4.619 20 0 JJADLO Cn1cc([C@@H]2C[N@@H+](Cc3nc4c(s3)C(C)(C)CC(C)(C)C4)C[C@H]2NC(=O)OC(C)(C)C)cn1 ZINC001460275386 1067595690 /nfs/dbraw/zinc/59/56/90/1067595690.db2.gz ANPVYDMEJDBHDF-PKOBYXMFSA-N 1 2 473.687 4.619 20 0 JJADLO C[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC001460341894 1067612506 /nfs/dbraw/zinc/61/25/06/1067612506.db2.gz SPOFCIINWCVWIN-CMJOXMDJSA-N 1 2 459.974 4.913 20 0 JJADLO C[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC001460341894 1067612512 /nfs/dbraw/zinc/61/25/12/1067612512.db2.gz SPOFCIINWCVWIN-CMJOXMDJSA-N 1 2 459.974 4.913 20 0 JJADLO CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC1=O ZINC001460344637 1067612835 /nfs/dbraw/zinc/61/28/35/1067612835.db2.gz QUSZLNFTHCMXHP-MSOLQXFVSA-N 1 2 450.970 4.709 20 0 JJADLO COc1ccc(Cl)c2c1CCC[C@@H]2[N@H+](C)CC(=O)Nc1cc(C)nn1-c1ccc(F)cc1 ZINC001460346837 1067613384 /nfs/dbraw/zinc/61/33/84/1067613384.db2.gz UCJBPQVAHRCHTE-FQEVSTJZSA-N 1 2 456.949 4.930 20 0 JJADLO COc1ccc(Cl)c2c1CCC[C@@H]2[N@@H+](C)CC(=O)Nc1cc(C)nn1-c1ccc(F)cc1 ZINC001460346837 1067613388 /nfs/dbraw/zinc/61/33/88/1067613388.db2.gz UCJBPQVAHRCHTE-FQEVSTJZSA-N 1 2 456.949 4.930 20 0 JJADLO COc1ccc(Cl)c2c1CCC[C@H]2[N@H+](C)CC(=O)Nc1cc(C)nn1-c1ccc(F)cc1 ZINC001460346839 1067613393 /nfs/dbraw/zinc/61/33/93/1067613393.db2.gz UCJBPQVAHRCHTE-HXUWFJFHSA-N 1 2 456.949 4.930 20 0 JJADLO COc1ccc(Cl)c2c1CCC[C@H]2[N@@H+](C)CC(=O)Nc1cc(C)nn1-c1ccc(F)cc1 ZINC001460346839 1067613396 /nfs/dbraw/zinc/61/33/96/1067613396.db2.gz UCJBPQVAHRCHTE-HXUWFJFHSA-N 1 2 456.949 4.930 20 0 JJADLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH+]2CCC([C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)c1C ZINC001460404816 1067627639 /nfs/dbraw/zinc/62/76/39/1067627639.db2.gz DAZVZJRWSDMOKH-RXVVDRJESA-N 1 2 459.631 4.764 20 0 JJADLO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](Cc2nnc(-c3ccccc3)s2)CC[C@H]1C(F)(F)F ZINC001460449882 1067636678 /nfs/dbraw/zinc/63/66/78/1067636678.db2.gz JCFMPSGYZHMYEJ-HZPDHXFCSA-N 1 2 456.534 4.730 20 0 JJADLO CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](Cc2nnc(-c3ccccc3)s2)CC[C@H]1C(F)(F)F ZINC001460449882 1067636680 /nfs/dbraw/zinc/63/66/80/1067636680.db2.gz JCFMPSGYZHMYEJ-HZPDHXFCSA-N 1 2 456.534 4.730 20 0 JJADLO CC(C)C[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1ccc(Br)cn1 ZINC001460461018 1067638486 /nfs/dbraw/zinc/63/84/86/1067638486.db2.gz SFQABXAJIMREFX-IBGZPJMESA-N 1 2 450.808 4.870 20 0 JJADLO CC(C)C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1ccc(Br)cn1 ZINC001460461018 1067638490 /nfs/dbraw/zinc/63/84/90/1067638490.db2.gz SFQABXAJIMREFX-IBGZPJMESA-N 1 2 450.808 4.870 20 0 JJADLO CC(C)C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1ccc(Br)cn1 ZINC001460461025 1067638607 /nfs/dbraw/zinc/63/86/07/1067638607.db2.gz SFQABXAJIMREFX-LJQANCHMSA-N 1 2 450.808 4.870 20 0 JJADLO CC(C)C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1ccc(Br)cn1 ZINC001460461025 1067638612 /nfs/dbraw/zinc/63/86/12/1067638612.db2.gz SFQABXAJIMREFX-LJQANCHMSA-N 1 2 450.808 4.870 20 0 JJADLO C[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2Cc2ccccc2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001460463533 1067638649 /nfs/dbraw/zinc/63/86/49/1067638649.db2.gz VWVPEHZHQGUFOY-OFNKIYASSA-N 1 2 451.611 4.841 20 0 JJADLO C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2Cc2ccccc2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001460463533 1067638651 /nfs/dbraw/zinc/63/86/51/1067638651.db2.gz VWVPEHZHQGUFOY-OFNKIYASSA-N 1 2 451.611 4.841 20 0 JJADLO COc1ccc([C@@H]2CCCCCN2C(=O)C[NH2+][C@@H](CO)c2cccc(Cl)c2Cl)cc1 ZINC001460472987 1067640589 /nfs/dbraw/zinc/64/05/89/1067640589.db2.gz RBTYJWZSIKGANP-SFTDATJTSA-N 1 2 451.394 4.769 20 0 JJADLO COC[C@H](C)[N@H+](Cc1nc(Cc2cccc(Br)c2)no1)[C@H]1CCc2ccccc21 ZINC001460571030 1067658253 /nfs/dbraw/zinc/65/82/53/1067658253.db2.gz AKBCQYVOHDUMHF-KKSFZXQISA-N 1 2 456.384 4.947 20 0 JJADLO COC[C@H](C)[N@@H+](Cc1nc(Cc2cccc(Br)c2)no1)[C@H]1CCc2ccccc21 ZINC001460571030 1067658255 /nfs/dbraw/zinc/65/82/55/1067658255.db2.gz AKBCQYVOHDUMHF-KKSFZXQISA-N 1 2 456.384 4.947 20 0 JJADLO Cc1cc(Br)ccc1[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1C(=O)NC(C)C ZINC001460601022 1067666936 /nfs/dbraw/zinc/66/69/36/1067666936.db2.gz AEJZGYJKBROPSB-OAQYLSRUSA-N 1 2 458.400 4.671 20 0 JJADLO Cc1cc(Br)ccc1[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1C(=O)NC(C)C ZINC001460601022 1067666943 /nfs/dbraw/zinc/66/69/43/1067666943.db2.gz AEJZGYJKBROPSB-OAQYLSRUSA-N 1 2 458.400 4.671 20 0 JJADLO CCc1ccc([C@H](NC(=O)C[N@@H+]2C[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)c2cccs2)cc1 ZINC001460612235 1067671861 /nfs/dbraw/zinc/67/18/61/1067671861.db2.gz PVHONBCXWGBVSV-WGGBDISSSA-N 1 2 457.640 4.504 20 0 JJADLO CCc1ccc([C@H](NC(=O)C[N@H+]2C[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)c2cccs2)cc1 ZINC001460612235 1067671870 /nfs/dbraw/zinc/67/18/70/1067671870.db2.gz PVHONBCXWGBVSV-WGGBDISSSA-N 1 2 457.640 4.504 20 0 JJADLO CCc1ccc([C@H](NC(=O)C[N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)c2cccs2)cc1 ZINC001460612233 1067671962 /nfs/dbraw/zinc/67/19/62/1067671962.db2.gz PVHONBCXWGBVSV-MONBJTKQSA-N 1 2 457.640 4.504 20 0 JJADLO CCc1ccc([C@H](NC(=O)C[N@H+]2C[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)c2cccs2)cc1 ZINC001460612233 1067671965 /nfs/dbraw/zinc/67/19/65/1067671965.db2.gz PVHONBCXWGBVSV-MONBJTKQSA-N 1 2 457.640 4.504 20 0 JJADLO Cc1cc(Br)ccc1[C@H]1CCC[N@@H+]1CCCOc1ccc(S(C)(=O)=O)cc1 ZINC001460612671 1067672481 /nfs/dbraw/zinc/67/24/81/1067672481.db2.gz WOAFLPXNXIECTP-OAQYLSRUSA-N 1 2 452.414 4.767 20 0 JJADLO Cc1cc(Br)ccc1[C@H]1CCC[N@H+]1CCCOc1ccc(S(C)(=O)=O)cc1 ZINC001460612671 1067672493 /nfs/dbraw/zinc/67/24/93/1067672493.db2.gz WOAFLPXNXIECTP-OAQYLSRUSA-N 1 2 452.414 4.767 20 0 JJADLO COc1ccc([C@@H]2C[N@H+](Cc3ccn(CCc4ccccc4)n3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001460651877 1067687868 /nfs/dbraw/zinc/68/78/68/1067687868.db2.gz PPFODBMQSIWOFX-IZZNHLLZSA-N 1 2 476.621 4.627 20 0 JJADLO COc1ccc([C@@H]2C[N@@H+](Cc3ccn(CCc4ccccc4)n3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001460651877 1067687874 /nfs/dbraw/zinc/68/78/74/1067687874.db2.gz PPFODBMQSIWOFX-IZZNHLLZSA-N 1 2 476.621 4.627 20 0 JJADLO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)C[NH2+][C@@H](CF)c1ccc(F)cc1 ZINC001460659600 1067691524 /nfs/dbraw/zinc/69/15/24/1067691524.db2.gz RHMXANWITVLRIN-KOSHJBKYSA-N 1 2 451.517 4.898 20 0 JJADLO Cc1ccc(Oc2cc(Br)ccc2C[N@H+](C)CC(=O)NCc2cccnc2)cc1 ZINC001460715631 1067707841 /nfs/dbraw/zinc/70/78/41/1067707841.db2.gz HESAPOILESLWFW-UHFFFAOYSA-N 1 2 454.368 4.693 20 0 JJADLO Cc1ccc(Oc2cc(Br)ccc2C[N@@H+](C)CC(=O)NCc2cccnc2)cc1 ZINC001460715631 1067707847 /nfs/dbraw/zinc/70/78/47/1067707847.db2.gz HESAPOILESLWFW-UHFFFAOYSA-N 1 2 454.368 4.693 20 0 JJADLO C[N@@H+](Cc1ccccc1Oc1ccc(Cl)cc1Br)C[C@@H]1CCCS1(=O)=O ZINC001460718632 1067708396 /nfs/dbraw/zinc/70/83/96/1067708396.db2.gz ZWLDJIMNROOPTR-INIZCTEOSA-N 1 2 458.805 4.904 20 0 JJADLO C[N@H+](Cc1ccccc1Oc1ccc(Cl)cc1Br)C[C@@H]1CCCS1(=O)=O ZINC001460718632 1067708406 /nfs/dbraw/zinc/70/84/06/1067708406.db2.gz ZWLDJIMNROOPTR-INIZCTEOSA-N 1 2 458.805 4.904 20 0 JJADLO COCc1cccc(OCC2(C[N@H+](C)Cc3nnc4n3CCC[C@@H]4C(F)(F)F)CCC2)c1 ZINC001460781313 1067722649 /nfs/dbraw/zinc/72/26/49/1067722649.db2.gz PSAOYFZKBHAWBY-IBGZPJMESA-N 1 2 452.521 4.545 20 0 JJADLO COCc1cccc(OCC2(C[N@@H+](C)Cc3nnc4n3CCC[C@@H]4C(F)(F)F)CCC2)c1 ZINC001460781313 1067722657 /nfs/dbraw/zinc/72/26/57/1067722657.db2.gz PSAOYFZKBHAWBY-IBGZPJMESA-N 1 2 452.521 4.545 20 0 JJADLO O=C(C[NH+]1CCC(c2nc(C(F)(F)F)c[nH]2)CC1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC001460849290 1067734675 /nfs/dbraw/zinc/73/46/75/1067734675.db2.gz NANYLRVTLCEAMG-UHFFFAOYSA-N 1 2 453.465 4.509 20 0 JJADLO CC(C)(C)OC(=O)NC[C@@H]1CCCC12CC[NH+](Cc1ncc(Br)cc1F)CC2 ZINC001460978986 1067755994 /nfs/dbraw/zinc/75/59/94/1067755994.db2.gz LFQBTVHZXMDFCM-HNNXBMFYSA-N 1 2 456.400 4.890 20 0 JJADLO COc1ccc([C@@H]([NH2+]Cc2cccc3c2OC(C)(C)C3)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001461254203 1067810921 /nfs/dbraw/zinc/81/09/21/1067810921.db2.gz HKPLTIBDGSCFBY-XMMPIXPASA-N 1 2 451.588 4.691 20 0 JJADLO CC(C)(C)OC(=O)c1cccc(C[NH2+]Cc2c(Br)cncc2Br)c1 ZINC001461388607 1067844602 /nfs/dbraw/zinc/84/46/02/1067844602.db2.gz NQNHUCUYCXHWJC-UHFFFAOYSA-N 1 2 456.178 4.852 20 0 JJADLO C[C@@H]1CN(c2ccc(NCc3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)c[nH+]2)C[C@H](C)O1 ZINC001461458864 1067861749 /nfs/dbraw/zinc/86/17/49/1067861749.db2.gz FUHXIPJRULJHEF-KDURUIRLSA-N 1 2 452.599 4.601 20 0 JJADLO CC(C)(C)OC(=O)N1CC[NH+](CCOc2ccccc2NC/C=C/c2ccc(F)cc2)CC1 ZINC001461559500 1067888069 /nfs/dbraw/zinc/88/80/69/1067888069.db2.gz MPHYRVHJULGHJS-VOTSOKGWSA-N 1 2 455.574 4.883 20 0 JJADLO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]CC(F)(F)c1ccc(Br)cc1 ZINC001461650056 1067909503 /nfs/dbraw/zinc/90/95/03/1067909503.db2.gz YVHLVVOBGKJABC-UHFFFAOYSA-N 1 2 454.267 4.872 20 0 JJADLO CC(C)(C)OC(=O)N1CCc2nc(C[NH2+]Cc3ccc(Br)cc3F)sc2C1 ZINC001461809558 1067940380 /nfs/dbraw/zinc/94/03/80/1067940380.db2.gz GPMGSLOKDVPARL-UHFFFAOYSA-N 1 2 456.381 4.628 20 0 JJADLO COc1cc(C[NH2+]Cc2ncccc2Br)cc(Br)c1OC(F)F ZINC001461817552 1067941759 /nfs/dbraw/zinc/94/17/59/1067941759.db2.gz BIFATKVFVCJLFN-UHFFFAOYSA-N 1 2 452.093 4.506 20 0 JJADLO COc1cc(C[NH+]2CCN(C(=O)[C@H](C)Oc3ccc(C)cc3Cl)CC2)cc2ccccc21 ZINC001461922500 1067961924 /nfs/dbraw/zinc/96/19/24/1067961924.db2.gz UFFHWMNTWZWIBX-IBGZPJMESA-N 1 2 452.982 4.922 20 0 JJADLO O=C(CN1CC[NH+](C/C=C\c2ccc(OCc3ccccc3)cc2)CC1)Nc1ccccc1F ZINC001461929024 1067962943 /nfs/dbraw/zinc/96/29/43/1067962943.db2.gz VTTSUCXOEYMNIB-TWGQIWQCSA-N 1 2 459.565 4.674 20 0 JJADLO CC(C)(C)OC(=O)N(CC[NH+]1CCN(Cc2csc(-c3ccccc3)n2)CC1)C(C)(C)C ZINC001461949474 1067967617 /nfs/dbraw/zinc/96/76/17/1067967617.db2.gz MLDPADFIIITOCR-UHFFFAOYSA-N 1 2 458.672 4.963 20 0 JJADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1nc2c(s1)c(Br)ccc2F ZINC001461969544 1067971440 /nfs/dbraw/zinc/97/14/40/1067971440.db2.gz XGSUDTKUULEWKJ-UHFFFAOYSA-N 1 2 455.259 4.773 20 0 JJADLO C[C@@H]1C[NH+](Cc2c[nH]nc2-c2ccc(Br)s2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001461985642 1067975498 /nfs/dbraw/zinc/97/54/98/1067975498.db2.gz FHRJRKOJVFBXQY-CHWSQXEVSA-N 1 2 455.422 4.730 20 0 JJADLO CCOc1cc(C[NH+]2CCN(Cc3cccc(C(F)(F)F)c3)CC2)ccc1OC(=O)CC ZINC001462029678 1067984532 /nfs/dbraw/zinc/98/45/32/1067984532.db2.gz CLQDMQOQWOPTDD-UHFFFAOYSA-N 1 2 450.501 4.737 20 0 JJADLO Cc1ccc(-c2ccccc2C[NH+]2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)c(C)c1 ZINC001462040542 1067987319 /nfs/dbraw/zinc/98/73/19/1067987319.db2.gz OAFDAWLYCHGBGP-UHFFFAOYSA-N 1 2 456.558 4.755 20 0 JJADLO Cn1ncc(NC(=O)OC(C)(C)C)c1C[NH2+]Cc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC001462052958 1067991382 /nfs/dbraw/zinc/99/13/82/1067991382.db2.gz XCPNHWOLZYWQKA-QGZVFWFLSA-N 1 2 453.612 4.786 20 0 JJADLO C[C@H](C[N@H+](C)Cc1ncc(I)s1)Oc1ccc(Cl)c(Cl)c1 ZINC001462094108 1068001255 /nfs/dbraw/zinc/00/12/55/1068001255.db2.gz HQMURNYJSYGNSD-SECBINFHSA-N 1 2 457.164 4.954 20 0 JJADLO C[C@H](C[N@@H+](C)Cc1ncc(I)s1)Oc1ccc(Cl)c(Cl)c1 ZINC001462094108 1068001269 /nfs/dbraw/zinc/00/12/69/1068001269.db2.gz HQMURNYJSYGNSD-SECBINFHSA-N 1 2 457.164 4.954 20 0 JJADLO Cc1nn(-c2ccccc2F)cc1CN(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC001462202123 1068028637 /nfs/dbraw/zinc/02/86/37/1068028637.db2.gz WXXFZZMNXDGMCS-UHFFFAOYSA-N 1 2 458.335 4.574 20 0 JJADLO C[C@H]1CCCN(C(=O)OC[C@@H]2CCCC[N@@H+]2Cc2cccc(I)c2)C1 ZINC001462224429 1068032446 /nfs/dbraw/zinc/03/24/46/1068032446.db2.gz GUHKPMRCMXNULV-LPHOPBHVSA-N 1 2 456.368 4.514 20 0 JJADLO C[C@H]1CCCN(C(=O)OC[C@@H]2CCCC[N@H+]2Cc2cccc(I)c2)C1 ZINC001462224429 1068032462 /nfs/dbraw/zinc/03/24/62/1068032462.db2.gz GUHKPMRCMXNULV-LPHOPBHVSA-N 1 2 456.368 4.514 20 0 JJADLO CCc1ccccc1O[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1)c1ccccc1 ZINC001462239814 1068035933 /nfs/dbraw/zinc/03/59/33/1068035933.db2.gz XSBIXUQCYXCCCX-IXCJQBJRSA-N 1 2 458.602 4.695 20 0 JJADLO CCc1ccccc1O[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1)c1ccccc1 ZINC001462239814 1068035947 /nfs/dbraw/zinc/03/59/47/1068035947.db2.gz XSBIXUQCYXCCCX-IXCJQBJRSA-N 1 2 458.602 4.695 20 0 JJADLO CCc1c(Br)cc(C(=O)NC[C@H]2c3ccccc3C[N@H+]2C)cc1Br ZINC001462256947 1068039725 /nfs/dbraw/zinc/03/97/25/1068039725.db2.gz RZTLLPLQGJJMFW-SFHVURJKSA-N 1 2 452.190 4.691 20 0 JJADLO CCc1c(Br)cc(C(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)cc1Br ZINC001462256947 1068039732 /nfs/dbraw/zinc/03/97/32/1068039732.db2.gz RZTLLPLQGJJMFW-SFHVURJKSA-N 1 2 452.190 4.691 20 0 JJADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC001462271758 1068041510 /nfs/dbraw/zinc/04/15/10/1068041510.db2.gz ZAARTFLNKXAFGN-INIZCTEOSA-N 1 2 456.833 4.961 20 0 JJADLO CCS(=O)(=O)c1c(Cl)cccc1C[N@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC001462271758 1068041521 /nfs/dbraw/zinc/04/15/21/1068041521.db2.gz ZAARTFLNKXAFGN-INIZCTEOSA-N 1 2 456.833 4.961 20 0 JJADLO COC(=O)N1CCN(c2ccc(N[C@@H](C)Cc3ccc(Cl)c(C(F)(F)F)c3)c[nH+]2)CC1 ZINC001462276168 1068042485 /nfs/dbraw/zinc/04/24/85/1068042485.db2.gz NYOFAGTUVNFIAZ-AWEZNQCLSA-N 1 2 456.896 4.685 20 0 JJADLO Cc1ccc(-n2c(Cl)c(C[N@@H+]3CCC[C@@](CO)(Cc4ccccc4)C3)nc2N(C)C)cc1 ZINC001462280466 1068042946 /nfs/dbraw/zinc/04/29/46/1068042946.db2.gz BXWVTLVNVFVOEW-AREMUKBSSA-N 1 2 453.030 4.717 20 0 JJADLO Cc1ccc(-n2c(Cl)c(C[N@H+]3CCC[C@@](CO)(Cc4ccccc4)C3)nc2N(C)C)cc1 ZINC001462280466 1068042962 /nfs/dbraw/zinc/04/29/62/1068042962.db2.gz BXWVTLVNVFVOEW-AREMUKBSSA-N 1 2 453.030 4.717 20 0 JJADLO CCOc1cccc(C[N@H+](CCO)Cc2cc(Br)c(C)cc2Br)c1 ZINC001462351057 1068057557 /nfs/dbraw/zinc/05/75/57/1068057557.db2.gz ZRCXDPSMGNZNTB-UHFFFAOYSA-N 1 2 457.206 4.913 20 0 JJADLO CCOc1cccc(C[N@@H+](CCO)Cc2cc(Br)c(C)cc2Br)c1 ZINC001462351057 1068057568 /nfs/dbraw/zinc/05/75/68/1068057568.db2.gz ZRCXDPSMGNZNTB-UHFFFAOYSA-N 1 2 457.206 4.913 20 0 JJADLO Cc1cc(Br)cn2c(CN3[C@H](C)CN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]3C)c[nH+]c12 ZINC001462370684 1068061830 /nfs/dbraw/zinc/06/18/30/1068061830.db2.gz ACCDXIOTKXNMNJ-PMPSAXMXSA-N 1 2 451.409 4.623 20 0 JJADLO COC(=O)C(C)(C)[C@H]([NH2+]Cc1ncc(Br)cc1Br)c1ccccc1 ZINC001462566908 1068099561 /nfs/dbraw/zinc/09/95/61/1068099561.db2.gz QHJBFYXBHGTQFM-MRXNPFEDSA-N 1 2 456.178 4.637 20 0 JJADLO COC(=O)C(C)(C)[C@@H]([NH2+]Cc1ncc(Br)cc1Br)c1ccccc1 ZINC001462566902 1068099710 /nfs/dbraw/zinc/09/97/10/1068099710.db2.gz QHJBFYXBHGTQFM-INIZCTEOSA-N 1 2 456.178 4.637 20 0 JJADLO Clc1ccc(-n2cc(C[NH2+][C@@H]3CCOc4ccc(Br)cc43)nn2)c(Cl)c1 ZINC001462577703 1068102302 /nfs/dbraw/zinc/10/23/02/1068102302.db2.gz IUACCCINUXRGAV-MRXNPFEDSA-N 1 2 454.155 4.950 20 0 JJADLO Cc1c(C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H](c2cccc(Cl)c2)C(F)F)cnn1C ZINC001462584333 1068104450 /nfs/dbraw/zinc/10/44/50/1068104450.db2.gz JUIQBJZTYSQFKV-BEFAXECRSA-N 1 2 456.965 4.661 20 0 JJADLO O=S(=O)(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)c1cc2cc(Cl)ccc2s1 ZINC001462865290 1068195665 /nfs/dbraw/zinc/19/56/65/1068195665.db2.gz LFBKLCVEEFSSMG-UHFFFAOYSA-N 1 2 456.967 4.776 20 0 JJADLO CN([C@H](c1ccc(F)cc1)c1ccc(Cl)cc1)S(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC001463263101 1068338352 /nfs/dbraw/zinc/33/83/52/1068338352.db2.gz UDNJDDUSMMGNSE-DEOSSOPVSA-N 1 2 458.986 4.877 20 0 JJADLO CN([C@H](c1ccc(F)cc1)c1ccc(Cl)cc1)S(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC001463263101 1068338370 /nfs/dbraw/zinc/33/83/70/1068338370.db2.gz UDNJDDUSMMGNSE-DEOSSOPVSA-N 1 2 458.986 4.877 20 0 JJADLO CC(C)(F)c1cc(NC(=O)c2cccnc2N2CC[NH+](Cc3cccc(Cl)c3)CC2)no1 ZINC001463518809 1068426553 /nfs/dbraw/zinc/42/65/53/1068426553.db2.gz DDHSYJGBKXJCBJ-UHFFFAOYSA-N 1 2 457.937 4.502 20 0 JJADLO CC(C)(C)c1ccc([C@H](O)CCC(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)cc1 ZINC001463604083 1068462595 /nfs/dbraw/zinc/46/25/95/1068462595.db2.gz MRXSARBQOQGLTO-XMMPIXPASA-N 1 2 459.030 4.674 20 0 JJADLO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC001463663285 1068487221 /nfs/dbraw/zinc/48/72/21/1068487221.db2.gz YXMZLMVEDCHHEI-UHFFFAOYSA-N 1 2 453.530 4.594 20 0 JJADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)/C=C(\c2ccc(Cl)cc2)C(F)(F)F)CC1 ZINC001463736751 1068508191 /nfs/dbraw/zinc/50/81/91/1068508191.db2.gz MZWYZSVWRDGMDI-XSFVSMFZSA-N 1 2 452.904 4.947 20 0 JJADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)c2ccccc2Nc2ccc(C(C)=O)cc2)CC1 ZINC001463748374 1068511783 /nfs/dbraw/zinc/51/17/83/1068511783.db2.gz RBWTYYDPPQIHKB-UHFFFAOYSA-N 1 2 457.574 4.908 20 0 JJADLO CCCc1sc(C(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc1Br ZINC001463772354 1068520055 /nfs/dbraw/zinc/52/00/55/1068520055.db2.gz QCPLLSGTPBIKAA-UHFFFAOYSA-N 1 2 451.434 4.647 20 0 JJADLO C[C@H](c1ccccc1F)[C@@H](O)C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC001463802692 1068530646 /nfs/dbraw/zinc/53/06/46/1068530646.db2.gz ZJFRRRADYNMMKH-MZNJEOGPSA-N 1 2 456.558 4.502 20 0 JJADLO C[C@@H](C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1)c1ccc(Br)cc1 ZINC001463805212 1068531334 /nfs/dbraw/zinc/53/13/34/1068531334.db2.gz DLUXBAUPTNIZCB-OAHLLOKOSA-N 1 2 455.318 4.916 20 0 JJADLO CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC001464130350 1068627243 /nfs/dbraw/zinc/62/72/43/1068627243.db2.gz LISFYCKGAJWOIC-VQIMIIECSA-N 1 2 453.986 4.522 20 0 JJADLO C[C@H](NC(=O)c1ccccc1C[NH+]1CCOCC1)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC001464162236 1068638418 /nfs/dbraw/zinc/63/84/18/1068638418.db2.gz WJOYINCDIRUKDJ-FQEVSTJZSA-N 1 2 458.562 4.654 20 0 JJADLO CC(C)(C)OC(=O)NCC[N@H+](CC(=O)NCc1csc2ccccc12)Cc1ccccc1 ZINC001464197690 1068652731 /nfs/dbraw/zinc/65/27/31/1068652731.db2.gz NQAKYIUYWVUCJY-UHFFFAOYSA-N 1 2 453.608 4.544 20 0 JJADLO CC(C)(C)OC(=O)NCC[N@@H+](CC(=O)NCc1csc2ccccc12)Cc1ccccc1 ZINC001464197690 1068652735 /nfs/dbraw/zinc/65/27/35/1068652735.db2.gz NQAKYIUYWVUCJY-UHFFFAOYSA-N 1 2 453.608 4.544 20 0 JJADLO CSc1ccc([C@@H](CNC(=O)[C@@H](C)c2c(C)n[nH]c2C)[N@@H+]2CCc3sccc3C2)cc1 ZINC001464199021 1068653651 /nfs/dbraw/zinc/65/36/51/1068653651.db2.gz FDBKVQAYJMYIFR-YCRPNKLZSA-N 1 2 454.665 4.829 20 0 JJADLO CSc1ccc([C@@H](CNC(=O)[C@@H](C)c2c(C)n[nH]c2C)[N@H+]2CCc3sccc3C2)cc1 ZINC001464199021 1068653657 /nfs/dbraw/zinc/65/36/57/1068653657.db2.gz FDBKVQAYJMYIFR-YCRPNKLZSA-N 1 2 454.665 4.829 20 0 JJADLO COc1cccc(Oc2ccc(CNC(=O)[C@H]3CCC[N@@H+]3Cc3ccc(Cl)cc3)cn2)c1 ZINC001464269714 1068682759 /nfs/dbraw/zinc/68/27/59/1068682759.db2.gz LFADQTUVMFVUFF-HSZRJFAPSA-N 1 2 451.954 4.817 20 0 JJADLO COc1cccc(Oc2ccc(CNC(=O)[C@H]3CCC[N@H+]3Cc3ccc(Cl)cc3)cn2)c1 ZINC001464269714 1068682769 /nfs/dbraw/zinc/68/27/69/1068682769.db2.gz LFADQTUVMFVUFF-HSZRJFAPSA-N 1 2 451.954 4.817 20 0 JJADLO O=C(N[C@H](CCc1ccccc1)c1ccccc1)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC001464292385 1068694372 /nfs/dbraw/zinc/69/43/72/1068694372.db2.gz FVSYTEDBXHKVPL-FTJBHMTQSA-N 1 2 458.606 4.508 20 0 JJADLO O=C(N[C@H](CCc1ccccc1)c1ccccc1)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC001464292385 1068694375 /nfs/dbraw/zinc/69/43/75/1068694375.db2.gz FVSYTEDBXHKVPL-FTJBHMTQSA-N 1 2 458.606 4.508 20 0 JJADLO CC(C)CC[C@@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1)c1ccc(Cl)cc1 ZINC001464299096 1068697002 /nfs/dbraw/zinc/69/70/02/1068697002.db2.gz NZBHRHQXWNHGCG-PKTZIBPZSA-N 1 2 459.034 4.964 20 0 JJADLO CC(C)CC[C@@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1)c1ccc(Cl)cc1 ZINC001464299096 1068697006 /nfs/dbraw/zinc/69/70/06/1068697006.db2.gz NZBHRHQXWNHGCG-PKTZIBPZSA-N 1 2 459.034 4.964 20 0 JJADLO CCC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)cc1Cl ZINC001464318081 1068703763 /nfs/dbraw/zinc/70/37/63/1068703763.db2.gz CXUOQHSSBAVQPV-UHFFFAOYSA-N 1 2 453.974 4.819 20 0 JJADLO CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001464442434 1068747255 /nfs/dbraw/zinc/74/72/55/1068747255.db2.gz HCVIFZBEXCMPIT-NRFANRHFSA-N 1 2 450.501 4.957 20 0 JJADLO CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001464442434 1068747258 /nfs/dbraw/zinc/74/72/58/1068747258.db2.gz HCVIFZBEXCMPIT-NRFANRHFSA-N 1 2 450.501 4.957 20 0 JJADLO CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001464442437 1068747304 /nfs/dbraw/zinc/74/73/04/1068747304.db2.gz HCVIFZBEXCMPIT-OAQYLSRUSA-N 1 2 450.501 4.957 20 0 JJADLO CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001464442437 1068747309 /nfs/dbraw/zinc/74/73/09/1068747309.db2.gz HCVIFZBEXCMPIT-OAQYLSRUSA-N 1 2 450.501 4.957 20 0 JJADLO CCc1c(Br)cc(C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1Br ZINC001464455321 1068752701 /nfs/dbraw/zinc/75/27/01/1068752701.db2.gz ZOGPQJGTXIUPRK-INIZCTEOSA-N 1 2 457.210 4.815 20 0 JJADLO Cc1[nH]c(-c2cccc(NC(=O)c3cc(Br)ncc3Br)c2)[nH+]c1C ZINC001464457049 1068753230 /nfs/dbraw/zinc/75/32/30/1068753230.db2.gz HYHWLOQVNYFSHY-UHFFFAOYSA-N 1 2 450.134 4.866 20 0 JJADLO Cc1ccc2[nH+]c(CSCC(=O)Nc3ccc(C(=O)N4CCC[C@@H](C)C4)cc3C)cn2c1 ZINC001464549743 1068779015 /nfs/dbraw/zinc/77/90/15/1068779015.db2.gz XRYZHNLOVJKWSI-QGZVFWFLSA-N 1 2 450.608 4.695 20 0 JJADLO C[C@H]1c2ccc(C(=O)Nc3ccc(-n4cc[nH+]c4)c(Cl)c3)n2CCN1C(=O)OC(C)(C)C ZINC001464577576 1068789374 /nfs/dbraw/zinc/78/93/74/1068789374.db2.gz ZXPUDWFPLFAUOC-HNNXBMFYSA-N 1 2 455.946 4.891 20 0 JJADLO O=C(NCC[NH+]1Cc2ccccc2C1)c1ccc(COc2ccccc2Br)cc1 ZINC001464639522 1068807562 /nfs/dbraw/zinc/80/75/62/1068807562.db2.gz ZNIGMICIDSLXSD-UHFFFAOYSA-N 1 2 451.364 4.774 20 0 JJADLO O=C(C[C@H](O)c1cccc(F)c1)N1CC[NH+]([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC001464711262 1068834698 /nfs/dbraw/zinc/83/46/98/1068834698.db2.gz AGAYHMMMEAZWKA-AZGAKELHSA-N 1 2 452.957 4.836 20 0 JJADLO Cc1cc(Cl)nc(C(F)(F)N2CCO[C@H](c3[nH+]cn4c3cccc4Br)C2)c1 ZINC001164417315 718890517 /nfs/dbraw/zinc/89/05/17/718890517.db2.gz JLQBNWROFPBZFV-ZDUSSCGKSA-N 1 2 457.706 4.576 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc3cc(OC)ccc3n1)CC2 ZINC001164663077 719348310 /nfs/dbraw/zinc/34/83/10/719348310.db2.gz CJIRLWYXXXEYFQ-UHFFFAOYSA-N 1 2 453.590 4.938 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc3cc(OC)ccc3n1)CC2 ZINC001164663077 719348313 /nfs/dbraw/zinc/34/83/13/719348313.db2.gz CJIRLWYXXXEYFQ-UHFFFAOYSA-N 1 2 453.590 4.938 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc3ccc(Cl)nc3cn1)CC2 ZINC001164660675 719351356 /nfs/dbraw/zinc/35/13/56/719351356.db2.gz WUXFGKCEGIBTJJ-UHFFFAOYSA-N 1 2 458.997 4.978 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc3ccc(Cl)nc3cn1)CC2 ZINC001164660675 719351358 /nfs/dbraw/zinc/35/13/58/719351358.db2.gz WUXFGKCEGIBTJJ-UHFFFAOYSA-N 1 2 458.997 4.978 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc3ccc(OC)cc3n1)CC2 ZINC001164658111 719351514 /nfs/dbraw/zinc/35/15/14/719351514.db2.gz DNKXZUXWZVBSIQ-UHFFFAOYSA-N 1 2 453.590 4.938 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc3ccc(OC)cc3n1)CC2 ZINC001164658111 719351516 /nfs/dbraw/zinc/35/15/16/719351516.db2.gz DNKXZUXWZVBSIQ-UHFFFAOYSA-N 1 2 453.590 4.938 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc3c(Cl)ccnc3n1)CC2 ZINC001164658005 719351549 /nfs/dbraw/zinc/35/15/49/719351549.db2.gz AYRRDGVIQVTBBR-UHFFFAOYSA-N 1 2 458.997 4.978 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc3c(Cl)ccnc3n1)CC2 ZINC001164658005 719351552 /nfs/dbraw/zinc/35/15/52/719351552.db2.gz AYRRDGVIQVTBBR-UHFFFAOYSA-N 1 2 458.997 4.978 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(-c3cccs3)nn1)CC2 ZINC001164658600 719351697 /nfs/dbraw/zinc/35/16/97/719351697.db2.gz KJBGIIHXDZCZDJ-UHFFFAOYSA-N 1 2 456.619 4.900 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(-c3cccs3)nn1)CC2 ZINC001164658600 719351698 /nfs/dbraw/zinc/35/16/98/719351698.db2.gz KJBGIIHXDZCZDJ-UHFFFAOYSA-N 1 2 456.619 4.900 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc3ccccc3cc1C(=O)OC)CC2 ZINC001164659858 719351944 /nfs/dbraw/zinc/35/19/44/719351944.db2.gz SGNIBTNJRFVFJT-UHFFFAOYSA-N 1 2 481.600 4.716 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc3ccccc3cc1C(=O)OC)CC2 ZINC001164659858 719351945 /nfs/dbraw/zinc/35/19/45/719351945.db2.gz SGNIBTNJRFVFJT-UHFFFAOYSA-N 1 2 481.600 4.716 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3c1ncn3C(C)C)CC2 ZINC001164660698 719352252 /nfs/dbraw/zinc/35/22/52/719352252.db2.gz XOABPHCPXJVSPG-UHFFFAOYSA-N 1 2 491.043 4.755 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3c1ncn3C(C)C)CC2 ZINC001164660698 719352257 /nfs/dbraw/zinc/35/22/57/719352257.db2.gz XOABPHCPXJVSPG-UHFFFAOYSA-N 1 2 491.043 4.755 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cncc(Oc3cccc(OC)c3)n1)CC2 ZINC001164660691 719352441 /nfs/dbraw/zinc/35/24/41/719352441.db2.gz XJPDZTRYPPWLAL-UHFFFAOYSA-N 1 2 496.615 4.972 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cncc(Oc3cccc(OC)c3)n1)CC2 ZINC001164660691 719352444 /nfs/dbraw/zinc/35/24/44/719352444.db2.gz XJPDZTRYPPWLAL-UHFFFAOYSA-N 1 2 496.615 4.972 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)cnc1SC)CC2 ZINC001164659621 719353082 /nfs/dbraw/zinc/35/30/82/719353082.db2.gz RISQEGLNMPAFEE-UHFFFAOYSA-N 1 2 455.031 4.547 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)cnc1SC)CC2 ZINC001164659621 719353085 /nfs/dbraw/zinc/35/30/85/719353085.db2.gz RISQEGLNMPAFEE-UHFFFAOYSA-N 1 2 455.031 4.547 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(-c3ccsc3)nn1)CC2 ZINC001164660493 719355446 /nfs/dbraw/zinc/35/54/46/719355446.db2.gz UJKRRBXXORXDCZ-UHFFFAOYSA-N 1 2 456.619 4.900 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(-c3ccsc3)nn1)CC2 ZINC001164660493 719355448 /nfs/dbraw/zinc/35/54/48/719355448.db2.gz UJKRRBXXORXDCZ-UHFFFAOYSA-N 1 2 456.619 4.900 20 0 JJADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nc(Cl)cc4c(Cl)ccnc42)CC3)cc1 ZINC001164674535 719505829 /nfs/dbraw/zinc/50/58/29/719505829.db2.gz ZEZKKBHOBYCFLH-UHFFFAOYSA-N 1 2 461.368 4.947 20 0 JJADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nc(Cl)cc4c(Cl)ccnc42)CC3)cc1 ZINC001164674535 719505840 /nfs/dbraw/zinc/50/58/40/719505840.db2.gz ZEZKKBHOBYCFLH-UHFFFAOYSA-N 1 2 461.368 4.947 20 0 JJADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2cc(-c4ccc(Cl)nn4)ccc2F)CC3)cc1 ZINC001164677059 719525741 /nfs/dbraw/zinc/52/57/41/719525741.db2.gz BGZOKHOGEWLZIO-UHFFFAOYSA-N 1 2 470.951 4.947 20 0 JJADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2cc(-c4ccc(Cl)nn4)ccc2F)CC3)cc1 ZINC001164677059 719525753 /nfs/dbraw/zinc/52/57/53/719525753.db2.gz BGZOKHOGEWLZIO-UHFFFAOYSA-N 1 2 470.951 4.947 20 0 JJADLO Cn1cc(-c2nc(Cl)ncc2C(F)(F)N2CCc3onc(Cn4cc[nH+]c4)c3C2)c2ccccc21 ZINC001164678378 719564622 /nfs/dbraw/zinc/56/46/22/719564622.db2.gz YDSOUWDKAOMKDV-UHFFFAOYSA-N 1 2 495.921 4.629 20 0 JJADLO FC(F)(Oc1ccccc1-c1cccc(Cl)n1)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001164676381 719566318 /nfs/dbraw/zinc/56/63/18/719566318.db2.gz DAUKWXWWXFWXTO-UHFFFAOYSA-N 1 2 457.868 4.622 20 0 JJADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc(Cl)c(Cl)nc1Cl ZINC001164721021 720316647 /nfs/dbraw/zinc/31/66/47/720316647.db2.gz CTFIIZCMWSJPCX-CQSZACIVSA-N 1 2 466.747 4.604 20 0 JJADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(-c5ccccc5)c5ccccc5n4)CC3)C2=O)cs1 ZINC001164820639 720378813 /nfs/dbraw/zinc/37/88/13/720378813.db2.gz QIXKQVZERSEGBR-UHFFFAOYSA-N 1 2 497.668 4.980 20 0 JJADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(-c5ccccc5)c5ccccc5n4)CC3)C2=O)cs1 ZINC001164820639 720378823 /nfs/dbraw/zinc/37/88/23/720378823.db2.gz QIXKQVZERSEGBR-UHFFFAOYSA-N 1 2 497.668 4.980 20 0 JJADLO FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164873547 721219693 /nfs/dbraw/zinc/21/96/93/721219693.db2.gz RZWIFEUWVKCMEQ-UHFFFAOYSA-N 1 2 477.968 4.674 20 0 JJADLO FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164765828 721273088 /nfs/dbraw/zinc/27/30/88/721273088.db2.gz LEYGEASAMDNWCP-CQSZACIVSA-N 1 2 491.329 4.788 20 0 JJADLO FC(F)(c1ccc2c(ccnc2Cl)c1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164769076 721276070 /nfs/dbraw/zinc/27/60/70/721276070.db2.gz OCYLZJLPVYWHQS-MRXNPFEDSA-N 1 2 455.896 4.740 20 0 JJADLO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)Sc3ccc(Cl)nc3)C2)C1 ZINC001164787027 721375683 /nfs/dbraw/zinc/37/56/83/721375683.db2.gz WZGDDDIPISTQCN-HXUWFJFHSA-N 1 2 472.989 4.597 20 0 JJADLO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)Sc3ccc(Cl)nc3)C2)C1 ZINC001164787027 721375685 /nfs/dbraw/zinc/37/56/85/721375685.db2.gz WZGDDDIPISTQCN-HXUWFJFHSA-N 1 2 472.989 4.597 20 0 JJADLO FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164782161 721398990 /nfs/dbraw/zinc/39/89/90/721398990.db2.gz DTRBYNWHKUGVAS-TXEJJXNPSA-N 1 2 456.349 4.506 20 0 JJADLO FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164782161 721398991 /nfs/dbraw/zinc/39/89/91/721398991.db2.gz DTRBYNWHKUGVAS-TXEJJXNPSA-N 1 2 456.349 4.506 20 0 JJADLO Cc1ccc(-c2cc(C(F)(F)N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)c(Cl)nn2)cc1 ZINC001164781857 721439201 /nfs/dbraw/zinc/43/92/01/721439201.db2.gz GYCZFNUUMXSGKX-IRXDYDNUSA-N 1 2 461.969 4.675 20 0 JJADLO Cc1cncc(COC[C@]23CCC[C@H]2CN(c2ncnc4c2C[N@H+](Cc2ccccc2)CC4)C3)c1 ZINC001164798402 721600674 /nfs/dbraw/zinc/60/06/74/721600674.db2.gz FJZUKFIIWQILLH-ABYGYWHVSA-N 1 2 469.633 4.562 20 0 JJADLO Cc1cncc(COC[C@]23CCC[C@H]2CN(c2ncnc4c2C[N@@H+](Cc2ccccc2)CC4)C3)c1 ZINC001164798402 721600676 /nfs/dbraw/zinc/60/06/76/721600676.db2.gz FJZUKFIIWQILLH-ABYGYWHVSA-N 1 2 469.633 4.562 20 0 JJADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(-c3cccs3)nc3sc4c(c31)CCC4)C2 ZINC001165009025 721713839 /nfs/dbraw/zinc/71/38/39/721713839.db2.gz NGGNPEVJCRTDOT-UHFFFAOYSA-N 1 2 479.679 4.751 20 0 JJADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(-c3cccs3)nc3sc4c(c31)CCC4)C2 ZINC001165009025 721713848 /nfs/dbraw/zinc/71/38/48/721713848.db2.gz NGGNPEVJCRTDOT-UHFFFAOYSA-N 1 2 479.679 4.751 20 0 JJADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(-c3ccccc3)cc(-c3ccccc3)n2)CC1 ZINC001164916844 721814232 /nfs/dbraw/zinc/81/42/32/721814232.db2.gz IKHZDUJHWAIRBG-UHFFFAOYSA-N 1 2 450.590 4.757 20 0 JJADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(-c3ccc(Cl)cc3)nc3ccccc32)CC1 ZINC001164916620 721815314 /nfs/dbraw/zinc/81/53/14/721815314.db2.gz FNCXWYNHWYFSSB-UHFFFAOYSA-N 1 2 458.997 4.896 20 0 JJADLO CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1N1CCC2(CC1)c1ncc(C)n1CC[N@H+]2C ZINC001164917048 721817703 /nfs/dbraw/zinc/81/77/03/721817703.db2.gz AWAFIXKMWBKDGK-UHFFFAOYSA-N 1 2 498.002 4.664 20 0 JJADLO CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1N1CCC2(CC1)c1ncc(C)n1CC[N@@H+]2C ZINC001164917048 721817705 /nfs/dbraw/zinc/81/77/05/721817705.db2.gz AWAFIXKMWBKDGK-UHFFFAOYSA-N 1 2 498.002 4.664 20 0 JJADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(-c3cccc(Cl)c3)nc3c2CCCC3)CC1 ZINC001164919977 721820214 /nfs/dbraw/zinc/82/02/14/721820214.db2.gz ZZXAHVQGZROUNO-UHFFFAOYSA-N 1 2 463.029 4.622 20 0 JJADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2cnc(Cl)nc2Oc2ccc(Cl)cc2)CC1 ZINC001164919041 721821188 /nfs/dbraw/zinc/82/11/88/721821188.db2.gz LBPACEARWFKVQI-UHFFFAOYSA-N 1 2 459.381 4.522 20 0 JJADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2cc(-c3cccc(C)c3)nnc2Cl)CC1 ZINC001164919478 721822292 /nfs/dbraw/zinc/82/22/92/721822292.db2.gz RQCVSIHCCRIOKK-UHFFFAOYSA-N 1 2 472.971 4.596 20 0 JJADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2cc(-c3cccc(C)c3)nnc2Cl)CC1 ZINC001164919478 721822293 /nfs/dbraw/zinc/82/22/93/721822293.db2.gz RQCVSIHCCRIOKK-UHFFFAOYSA-N 1 2 472.971 4.596 20 0 JJADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cnc(Cl)nc1Oc1cccc(Cl)c1)CC2 ZINC001164950412 721981629 /nfs/dbraw/zinc/98/16/29/721981629.db2.gz SZPXQDLJRULONN-UHFFFAOYSA-N 1 2 498.414 4.547 20 0 JJADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cnc(Cl)nc1Oc1cccc(Cl)c1)CC2 ZINC001164950412 721981630 /nfs/dbraw/zinc/98/16/30/721981630.db2.gz SZPXQDLJRULONN-UHFFFAOYSA-N 1 2 498.414 4.547 20 0 JJADLO COc1cccc(-c2cc(C(F)(F)N3CC[NH+](CCc4ccccn4)CC3)cnc2Cl)c1 ZINC001165056335 722020909 /nfs/dbraw/zinc/02/09/09/722020909.db2.gz PNXYTEBEXONDSL-UHFFFAOYSA-N 1 2 458.940 4.715 20 0 JJADLO O=C(Nc1cnn(-c2ccccc2Br)c1)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001545869380 1064280767 /nfs/dbraw/zinc/28/07/67/1064280767.db2.gz MNSGLXLEJXLSBA-NRFANRHFSA-N 1 2 457.347 4.767 20 0 JJADLO O=C(Nc1cnn(-c2ccccc2Br)c1)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001545869380 1064280782 /nfs/dbraw/zinc/28/07/82/1064280782.db2.gz MNSGLXLEJXLSBA-NRFANRHFSA-N 1 2 457.347 4.767 20 0 JJADLO CC(C)[C@@H]1CCCN(c2nnc([C@H]3CCCCO3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001359731081 1064283670 /nfs/dbraw/zinc/28/36/70/1064283670.db2.gz HFIXXYMPSPINAO-STZQEDGTSA-N 1 2 461.601 4.973 20 0 JJADLO CC(C)[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001359731079 1064283879 /nfs/dbraw/zinc/28/38/79/1064283879.db2.gz HFIXXYMPSPINAO-COPCDDAFSA-N 1 2 461.601 4.973 20 0 JJADLO CC(C)[C@@H]1CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCNc1cccc[nH+]1 ZINC001359738312 1064301800 /nfs/dbraw/zinc/30/18/00/1064301800.db2.gz RHHKUIYYIWKIDS-SFTDATJTSA-N 1 2 483.661 4.872 20 0 JJADLO CC(C)[C@H]1CCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCNc1cccc[nH+]1 ZINC001359738311 1064301927 /nfs/dbraw/zinc/30/19/27/1064301927.db2.gz RHHKUIYYIWKIDS-RTWAWAEBSA-N 1 2 483.661 4.872 20 0 JJADLO CC(C)[C@@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2CCCNc2cccc[nH+]2)CCO1 ZINC001359756521 1064354061 /nfs/dbraw/zinc/35/40/61/1064354061.db2.gz TUYDHQLEKMEZFD-NRFANRHFSA-N 1 2 487.073 4.982 20 0 JJADLO CC(C)[C@@H]1OCC[C@H]1Cn1c(N2CC[NH+](Cc3cccc(Cl)c3)CC2)nnc1C(C)(C)C ZINC001359759644 1064364343 /nfs/dbraw/zinc/36/43/43/1064364343.db2.gz KKMMYVRHSNYRAR-UNMCSNQZSA-N 1 2 460.066 4.612 20 0 JJADLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 ZINC001435015215 1064432625 /nfs/dbraw/zinc/43/26/25/1064432625.db2.gz TVKXCSLPXWREPG-RPWUZVMVSA-N 1 2 458.602 4.870 20 0 JJADLO CC(C)Cc1nnc(N2CCC(CC(F)(F)F)CC2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001359805176 1064474500 /nfs/dbraw/zinc/47/45/00/1064474500.db2.gz KETIVSMPZJKIIO-JOCHJYFZSA-N 1 2 479.591 4.546 20 0 JJADLO CC(C)Cc1nnc(N2CCC(CC(F)(F)F)CC2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001359805176 1064474507 /nfs/dbraw/zinc/47/45/07/1064474507.db2.gz KETIVSMPZJKIIO-JOCHJYFZSA-N 1 2 479.591 4.546 20 0 JJADLO CC(C)Cc1nnc(N2CCC[C@H](C(F)(F)F)C2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001359827118 1064509574 /nfs/dbraw/zinc/50/95/74/1064509574.db2.gz VCKAYUZOUYZIKL-IBGZPJMESA-N 1 2 450.553 4.689 20 0 JJADLO CC(C)Cc1nnc(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001359866394 1064557536 /nfs/dbraw/zinc/55/75/36/1064557536.db2.gz QLBSNPWKRXYIGY-OAQYLSRUSA-N 1 2 489.451 4.871 20 0 JJADLO CC(C)C[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001359878181 1064568979 /nfs/dbraw/zinc/56/89/79/1064568979.db2.gz HDXBXIFHDOPJOW-HKBOAZHASA-N 1 2 476.065 4.665 20 0 JJADLO CC(C)C[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001359878181 1064568989 /nfs/dbraw/zinc/56/89/89/1064568989.db2.gz HDXBXIFHDOPJOW-HKBOAZHASA-N 1 2 476.065 4.665 20 0 JJADLO CC(C)CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001359911670 1064628415 /nfs/dbraw/zinc/62/84/15/1064628415.db2.gz VUSYPHPIUFKORG-LJQANCHMSA-N 1 2 464.054 4.665 20 0 JJADLO CN(C)c1ccc([NH+]2CCC(NC(=O)c3ncoc3-c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC001435285708 1064663140 /nfs/dbraw/zinc/66/31/40/1064663140.db2.gz BNGRZRAUUIWHOF-UHFFFAOYSA-N 1 2 458.484 4.825 20 0 JJADLO CC(C)CCOC1CCN(c2nnc(C(C)(C)C)n2Cc2ccccc2-n2cc[nH+]c2)CC1 ZINC001359954364 1064719621 /nfs/dbraw/zinc/71/96/21/1064719621.db2.gz IJYLGFVNUZLFQZ-UHFFFAOYSA-N 1 2 450.631 4.841 20 0 JJADLO C[C@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001435391940 1064736011 /nfs/dbraw/zinc/73/60/11/1064736011.db2.gz GZPHIFKRJHFNCU-IIBYNOLFSA-N 1 2 459.377 4.639 20 0 JJADLO C[C@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001435391940 1064736027 /nfs/dbraw/zinc/73/60/27/1064736027.db2.gz GZPHIFKRJHFNCU-IIBYNOLFSA-N 1 2 459.377 4.639 20 0 JJADLO O=C(Nc1nc2ccccc2n1CCCn1cc[nH+]c1)c1cccc(Br)c1Cl ZINC001359969620 1064745509 /nfs/dbraw/zinc/74/55/09/1064745509.db2.gz NPLGHPJTGJELQN-UHFFFAOYSA-N 1 2 458.747 4.991 20 0 JJADLO CC(C)CN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001359973052 1064749831 /nfs/dbraw/zinc/74/98/31/1064749831.db2.gz IBRAQCWSWJLSFQ-UHFFFAOYSA-N 1 2 454.022 4.765 20 0 JJADLO CC(C)CN(c1nnc(-c2ccc(Br)s2)n1CC1([NH+]2CCOCC2)CC1)C(C)C ZINC001359985456 1064764454 /nfs/dbraw/zinc/76/44/54/1064764454.db2.gz LYKIIZLVJUCIMM-UHFFFAOYSA-N 1 2 482.492 4.505 20 0 JJADLO CC(C)CN(c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc(N(C)C)[nH+]c1)C(C)C ZINC001359988948 1064769594 /nfs/dbraw/zinc/76/95/94/1064769594.db2.gz AAZUIYBJHSUGOG-JOCHJYFZSA-N 1 2 499.704 4.773 20 0 JJADLO CC(C)CN(c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ccc(N(C)C)[nH+]c1)C(C)C ZINC001359988949 1064769744 /nfs/dbraw/zinc/76/97/44/1064769744.db2.gz AAZUIYBJHSUGOG-QFIPXVFZSA-N 1 2 499.704 4.773 20 0 JJADLO Cc1ccc(I)cc1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC001435585096 1064850455 /nfs/dbraw/zinc/85/04/55/1064850455.db2.gz COAQCXCGYHORPG-UHFFFAOYSA-N 1 2 455.299 4.767 20 0 JJADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)c1ccc(F)cc1I ZINC001435589133 1064854475 /nfs/dbraw/zinc/85/44/75/1064854475.db2.gz QZDQAWJQLAZOOY-UHFFFAOYSA-N 1 2 459.262 4.598 20 0 JJADLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cccc(Cn2nc(C)cc2C)c1 ZINC001435625793 1064886213 /nfs/dbraw/zinc/88/62/13/1064886213.db2.gz SJQZCFNDLMUQBV-CCLHPLFOSA-N 1 2 459.638 4.624 20 0 JJADLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cccc(Cn2nc(C)cc2C)c1 ZINC001435625793 1064886225 /nfs/dbraw/zinc/88/62/25/1064886225.db2.gz SJQZCFNDLMUQBV-CCLHPLFOSA-N 1 2 459.638 4.624 20 0 JJADLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccnc(OC2CCCCC2)c1 ZINC001435626943 1064889037 /nfs/dbraw/zinc/88/90/37/1064889037.db2.gz VXOPMPAJZJAQEW-NBGIEHNGSA-N 1 2 450.627 4.869 20 0 JJADLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccnc(OC2CCCCC2)c1 ZINC001435626943 1064889045 /nfs/dbraw/zinc/88/90/45/1064889045.db2.gz VXOPMPAJZJAQEW-NBGIEHNGSA-N 1 2 450.627 4.869 20 0 JJADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)c(C)c1 ZINC001435635702 1064897411 /nfs/dbraw/zinc/89/74/11/1064897411.db2.gz AUOLLESACSNSHN-JOCHJYFZSA-N 1 2 450.489 4.923 20 0 JJADLO Cc1ccc(OC2CCN(C(=O)[C@H](c3cccc(Br)c3)[NH+]3CCCC3)CC2)cc1 ZINC001360078892 1064932837 /nfs/dbraw/zinc/93/28/37/1064932837.db2.gz KAWAWXMUVZGPFY-QHCPKHFHSA-N 1 2 457.412 4.964 20 0 JJADLO CC(C)N(C)C(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CCCNc2cccc[nH+]2)CC1 ZINC001360089749 1064956446 /nfs/dbraw/zinc/95/64/46/1064956446.db2.gz YPBNAVWGUDOCOS-UHFFFAOYSA-N 1 2 496.059 4.579 20 0 JJADLO Cc1nc(-c2ccccc2C)sc1C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC001435744566 1064969166 /nfs/dbraw/zinc/96/91/66/1064969166.db2.gz BDDHFJMIFJECAQ-NHCUHLMSSA-N 1 2 456.011 4.882 20 0 JJADLO Cc1nc(-c2ccccc2C)sc1C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC001435744566 1064969179 /nfs/dbraw/zinc/96/91/79/1064969179.db2.gz BDDHFJMIFJECAQ-NHCUHLMSSA-N 1 2 456.011 4.882 20 0 JJADLO C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC001435745643 1064969815 /nfs/dbraw/zinc/96/98/15/1064969815.db2.gz FGICDSKFAJXYSE-IPHXSNPTSA-N 1 2 454.920 4.726 20 0 JJADLO C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC001435745643 1064969828 /nfs/dbraw/zinc/96/98/28/1064969828.db2.gz FGICDSKFAJXYSE-IPHXSNPTSA-N 1 2 454.920 4.726 20 0 JJADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)c2ccc(Cl)cc2)C1 ZINC001435749607 1064973714 /nfs/dbraw/zinc/97/37/14/1064973714.db2.gz OWJRDXMKSQNYDB-JSXRDJHFSA-N 1 2 453.797 4.938 20 0 JJADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)c2ccc(Cl)cc2)C1 ZINC001435749607 1064973729 /nfs/dbraw/zinc/97/37/29/1064973729.db2.gz OWJRDXMKSQNYDB-JSXRDJHFSA-N 1 2 453.797 4.938 20 0 JJADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)c2ccc(Cl)cc2)C1 ZINC001435749610 1064973840 /nfs/dbraw/zinc/97/38/40/1064973840.db2.gz OWJRDXMKSQNYDB-MXEMCNAFSA-N 1 2 453.797 4.938 20 0 JJADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)c2ccc(Cl)cc2)C1 ZINC001435749610 1064973845 /nfs/dbraw/zinc/97/38/45/1064973845.db2.gz OWJRDXMKSQNYDB-MXEMCNAFSA-N 1 2 453.797 4.938 20 0 JJADLO CC(C)N(Cc1cccc(F)c1)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001360116684 1065001980 /nfs/dbraw/zinc/00/19/80/1065001980.db2.gz MPIOITISOTYMNY-QFIPXVFZSA-N 1 2 452.578 4.583 20 0 JJADLO Cc1cc(Br)cn2cc(CCNC(=O)[C@H](C)Sc3ccccc3Cl)[nH+]c12 ZINC001435848000 1065021218 /nfs/dbraw/zinc/02/12/18/1065021218.db2.gz MBYCQJZYFJBMLO-ZDUSSCGKSA-N 1 2 452.805 4.898 20 0 JJADLO CC(C)=CCOc1cccc(CC(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)c1 ZINC001435847745 1065021466 /nfs/dbraw/zinc/02/14/66/1065021466.db2.gz JUKWJOXBCUTNPA-UHFFFAOYSA-N 1 2 456.384 4.652 20 0 JJADLO C[C@@H](CC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1)c1ccc(F)cc1F ZINC001435915250 1065061463 /nfs/dbraw/zinc/06/14/63/1065061463.db2.gz FOBIOCXVKLCDDH-AWEZNQCLSA-N 1 2 452.343 4.611 20 0 JJADLO C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(OC(F)F)cc3)cc2Br)CC1 ZINC001435916827 1065061798 /nfs/dbraw/zinc/06/17/98/1065061798.db2.gz ZPGMYCSVTOLXEZ-ZWKOTPCHSA-N 1 2 480.353 4.545 20 0 JJADLO C[NH+]1CCN(c2ccc(NC(=O)c3csc(-c4ccccc4)n3)cc2Br)CC1 ZINC001435916513 1065061972 /nfs/dbraw/zinc/06/19/72/1065061972.db2.gz SZIYAHDTSMVAJI-UHFFFAOYSA-N 1 2 457.397 4.577 20 0 JJADLO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC001360179204 1065067769 /nfs/dbraw/zinc/06/77/69/1065067769.db2.gz ADXYHXAYAUTVPR-GOSISDBHSA-N 1 2 452.986 4.847 20 0 JJADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)C2(c3ccccc3Br)CC2)[C@H](C)C1 ZINC001436020820 1065118116 /nfs/dbraw/zinc/11/81/16/1065118116.db2.gz SXASSWPJRRLXLF-GOSISDBHSA-N 1 2 457.412 4.612 20 0 JJADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)C2(c3ccccc3Br)CC2)[C@H](C)C1 ZINC001436020820 1065118132 /nfs/dbraw/zinc/11/81/32/1065118132.db2.gz SXASSWPJRRLXLF-GOSISDBHSA-N 1 2 457.412 4.612 20 0 JJADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC001436020322 1065118188 /nfs/dbraw/zinc/11/81/88/1065118188.db2.gz SJFDFQKPYHJWFB-SJORKVTESA-N 1 2 451.394 4.892 20 0 JJADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC001436020322 1065118193 /nfs/dbraw/zinc/11/81/93/1065118193.db2.gz SJFDFQKPYHJWFB-SJORKVTESA-N 1 2 451.394 4.892 20 0 JJADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cc(Cl)cc(Br)c2)[C@@H](C)C1 ZINC001436021369 1065118885 /nfs/dbraw/zinc/11/88/85/1065118885.db2.gz XGZFMRZATBWOAX-HNNXBMFYSA-N 1 2 451.792 4.848 20 0 JJADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cc(Cl)cc(Br)c2)[C@@H](C)C1 ZINC001436021369 1065118890 /nfs/dbraw/zinc/11/88/90/1065118890.db2.gz XGZFMRZATBWOAX-HNNXBMFYSA-N 1 2 451.792 4.848 20 0 JJADLO C[C@@H]1CCCC[C@@H]1CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(I)cc1 ZINC001436049258 1065143139 /nfs/dbraw/zinc/14/31/39/1065143139.db2.gz YBDHBAWMQWGFTB-POAQFYNOSA-N 1 2 454.396 4.588 20 0 JJADLO C[C@@H]1CCCC[C@@H]1CC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(I)cc1 ZINC001436049258 1065143144 /nfs/dbraw/zinc/14/31/44/1065143144.db2.gz YBDHBAWMQWGFTB-POAQFYNOSA-N 1 2 454.396 4.588 20 0 JJADLO CC(C)OC1CCN(c2nnc(CC3CCCC3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001360367369 1065226063 /nfs/dbraw/zinc/22/60/63/1065226063.db2.gz SVDMVTHSGUQHIR-QHCPKHFHSA-N 1 2 475.628 4.986 20 0 JJADLO Cc1nn(C)c2nc(C)cc(C(=O)N3CC[N@@H+](Cc4ccc(Cl)cc4)C[C@H]3CC(C)C)c12 ZINC001436510175 1065338395 /nfs/dbraw/zinc/33/83/95/1065338395.db2.gz GGYOWXBKXXOIMV-OAQYLSRUSA-N 1 2 454.018 4.611 20 0 JJADLO Cc1nn(C)c2nc(C)cc(C(=O)N3CC[N@H+](Cc4ccc(Cl)cc4)C[C@H]3CC(C)C)c12 ZINC001436510175 1065338400 /nfs/dbraw/zinc/33/84/00/1065338400.db2.gz GGYOWXBKXXOIMV-OAQYLSRUSA-N 1 2 454.018 4.611 20 0 JJADLO CC(C)(C)OC(=O)N1CC[NH+](CCOc2ccccc2NC(=O)c2ccccc2Cl)CC1 ZINC001436607497 1065396550 /nfs/dbraw/zinc/39/65/50/1065396550.db2.gz AKFOPWFPIGORIP-UHFFFAOYSA-N 1 2 459.974 4.524 20 0 JJADLO Cc1cc(C)c(CNC(=O)Cc2ccc(NC(=O)c3ccc(Br)cc3)cc2)c[nH+]1 ZINC001436737707 1065432994 /nfs/dbraw/zinc/43/29/94/1065432994.db2.gz YYQJYGGZYRJXSG-UHFFFAOYSA-N 1 2 452.352 4.572 20 0 JJADLO O=C(c1ccc(C(F)F)c(F)c1)N(CCCn1cc[nH+]c1)c1ccc(Br)cn1 ZINC001436987127 1065488566 /nfs/dbraw/zinc/48/85/66/1065488566.db2.gz GOWFSVAOHZPFMM-UHFFFAOYSA-N 1 2 453.262 4.854 20 0 JJADLO O=C(NCc1ccc(COc2cccc(F)c2)cc1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC001437081273 1065507863 /nfs/dbraw/zinc/50/78/63/1065507863.db2.gz GJOJCWYBFYHEPE-RUZDIDTESA-N 1 2 450.579 4.811 20 0 JJADLO O=C(NCc1ccc(COc2cccc(F)c2)cc1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC001437081274 1065507945 /nfs/dbraw/zinc/50/79/45/1065507945.db2.gz GJOJCWYBFYHEPE-VWLOTQADSA-N 1 2 450.579 4.811 20 0 JJADLO Cc1ccc(C(=O)N[C@H](CC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)c2ccccc2)cc1 ZINC001438864463 1065759888 /nfs/dbraw/zinc/75/98/88/1065759888.db2.gz XHXXJMUCFUTXQI-FTJBHMTQSA-N 1 2 452.558 4.610 20 0 JJADLO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001360745567 1065784729 /nfs/dbraw/zinc/78/47/29/1065784729.db2.gz MUNXVNFYABVNEO-WMZHIEFXSA-N 1 2 496.631 4.850 20 0 JJADLO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1cc(-c2cccc(Cl)c2F)no1 ZINC001439274248 1065809455 /nfs/dbraw/zinc/80/94/55/1065809455.db2.gz QOVOWGVYCGMLBV-CRAIPNDOSA-N 1 2 467.850 4.927 20 0 JJADLO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1cc(-c2cccc(Cl)c2F)no1 ZINC001439274248 1065809469 /nfs/dbraw/zinc/80/94/69/1065809469.db2.gz QOVOWGVYCGMLBV-CRAIPNDOSA-N 1 2 467.850 4.927 20 0 JJADLO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@H](C)[C@H]2C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001360755683 1065810367 /nfs/dbraw/zinc/81/03/67/1065810367.db2.gz HWBKNSWMYWRNSB-KURKYZTESA-N 1 2 455.006 4.816 20 0 JJADLO C[C@H](c1cccs1)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CC[N@@H+]1CCOC[C@H]1C ZINC001360762300 1065837839 /nfs/dbraw/zinc/83/78/39/1065837839.db2.gz CURLOMIVIBCJTF-QRVBRYPASA-N 1 2 473.618 4.537 20 0 JJADLO C[C@H](c1cccs1)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CC[N@H+]1CCOC[C@H]1C ZINC001360762300 1065837863 /nfs/dbraw/zinc/83/78/63/1065837863.db2.gz CURLOMIVIBCJTF-QRVBRYPASA-N 1 2 473.618 4.537 20 0 JJADLO CC(C)[C@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCNc2cccc[nH+]2)C1 ZINC001360769081 1065859835 /nfs/dbraw/zinc/85/98/35/1065859835.db2.gz CZMBANOVDCSMDC-UXHICEINSA-N 1 2 452.578 4.937 20 0 JJADLO CC(C)Cc1cc(C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)cc(=O)[nH]1 ZINC001440679739 1065964326 /nfs/dbraw/zinc/96/43/26/1065964326.db2.gz ICRVDXMVVUVVNZ-UHFFFAOYSA-N 1 2 453.583 4.811 20 0 JJADLO O=C(c1ccc(Oc2cccc(F)c2)cn1)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001440708913 1065968696 /nfs/dbraw/zinc/96/86/96/1065968696.db2.gz IMYTXIAKWYARRE-UHFFFAOYSA-N 1 2 459.443 4.990 20 0 JJADLO O=C(c1cc(Cl)nc(C(F)(F)F)c1)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001440713566 1065970207 /nfs/dbraw/zinc/97/02/07/1065970207.db2.gz XYRBWUMLLOJJKJ-UHFFFAOYSA-N 1 2 451.798 4.731 20 0 JJADLO Cc1cccc(CCCn2c([C@H]3CCCCO3)nnc2N2CCC(C)=C(Br)C2)[nH+]1 ZINC001360854017 1065971641 /nfs/dbraw/zinc/97/16/41/1065971641.db2.gz QDCJSXWGNBGGHA-HXUWFJFHSA-N 1 2 460.420 4.735 20 0 JJADLO CCOc1ccc(C[NH+]2CCN(C(=O)C(C)(C)c3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC001440735809 1065972834 /nfs/dbraw/zinc/97/28/34/1065972834.db2.gz IEBKHARTRPTAGV-UHFFFAOYSA-N 1 2 450.501 4.606 20 0 JJADLO Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H]3CCC[C@H](C)C3)n2CC[N@@H+]2CCOC[C@@H]2C)c1C ZINC001360866590 1065989334 /nfs/dbraw/zinc/98/93/34/1065989334.db2.gz WACIRGSPKYMSHQ-NAMDQGSHSA-N 1 2 469.674 4.771 20 0 JJADLO Cc1cccc(O[C@H](C)c2nnc(N(C)[C@@H]3CCC[C@H](C)C3)n2CC[N@H+]2CCOC[C@@H]2C)c1C ZINC001360866590 1065989350 /nfs/dbraw/zinc/98/93/50/1065989350.db2.gz WACIRGSPKYMSHQ-NAMDQGSHSA-N 1 2 469.674 4.771 20 0 JJADLO Cc1cccc(O[C@H](C)c2nnc(N3CC[C@H](C(C)(C)C)C3)n2C[C@H](C)[NH+]2CCOCC2)c1C ZINC001360868744 1065993998 /nfs/dbraw/zinc/99/39/98/1065993998.db2.gz BIIVTXCHFISMQE-WWNPGLIZSA-N 1 2 469.674 4.628 20 0 JJADLO O=C(Cc1nc(C2CCCC2)cs1)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001441103757 1066007857 /nfs/dbraw/zinc/00/78/57/1066007857.db2.gz UNVWNSWSBVUJBG-UHFFFAOYSA-N 1 2 453.530 4.586 20 0 JJADLO Cc1cccc(O[C@@H](C)c2nnc(N3CCC(OC(C)(C)C)CC3)n2CC[N@@H+]2CCOC[C@@H]2C)c1C ZINC001360874512 1066013942 /nfs/dbraw/zinc/01/39/42/1066013942.db2.gz QEMKCNBLIYIHKX-GMAHTHKFSA-N 1 2 499.700 4.540 20 0 JJADLO Cc1cccc(O[C@@H](C)c2nnc(N3CCC(OC(C)(C)C)CC3)n2CC[N@H+]2CCOC[C@@H]2C)c1C ZINC001360874512 1066013953 /nfs/dbraw/zinc/01/39/53/1066013953.db2.gz QEMKCNBLIYIHKX-GMAHTHKFSA-N 1 2 499.700 4.540 20 0 JJADLO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1c(F)cccc1Sc1ccccc1 ZINC001441206417 1066015274 /nfs/dbraw/zinc/01/52/74/1066015274.db2.gz WAPSMGIKBQUNBI-UHFFFAOYSA-N 1 2 453.558 4.668 20 0 JJADLO C[C@@H](c1ccccc1F)[C@@H](O)C(=O)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC001441246022 1066019613 /nfs/dbraw/zinc/01/96/13/1066019613.db2.gz HTMGHNVRMUFXOK-BXKMTCNYSA-N 1 2 456.558 4.502 20 0 JJADLO C[C@H](c1ccccc1F)[C@H](O)C(=O)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC001441246060 1066020297 /nfs/dbraw/zinc/02/02/97/1066020297.db2.gz HTMGHNVRMUFXOK-OSPHWJPCSA-N 1 2 456.558 4.502 20 0 JJADLO Cc1cccc(O[C@H](C)c2nnc(N3CCOC(C)(C)[C@@H]3C)n2CCCNc2cccc[nH+]2)c1C ZINC001360879172 1066029532 /nfs/dbraw/zinc/02/95/32/1066029532.db2.gz HNARWKAEFAVOIP-YADHBBJMSA-N 1 2 478.641 4.936 20 0 JJADLO CN(C)c1ccc([NH+]2CCC(NC(=O)c3cccc(N(C)C(=O)OC(C)(C)C)c3)CC2)cc1 ZINC001360881359 1066034692 /nfs/dbraw/zinc/03/46/92/1066034692.db2.gz RQIKPENGXFMMOQ-UHFFFAOYSA-N 1 2 452.599 4.523 20 0 JJADLO CCN(C(=O)c1ccc(NC(C)=O)c(Cl)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001360906898 1066061293 /nfs/dbraw/zinc/06/12/93/1066061293.db2.gz NCIIMPZQYLOTLN-UHFFFAOYSA-N 1 2 458.006 4.651 20 0 JJADLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1cc(Br)cc(Br)c1 ZINC001442006624 1066085205 /nfs/dbraw/zinc/08/52/05/1066085205.db2.gz CPWKHZATIDBHHQ-UHFFFAOYSA-N 1 2 459.207 4.906 20 0 JJADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(Sc2ccccc2Cl)cc1 ZINC001442336346 1066117562 /nfs/dbraw/zinc/11/75/62/1066117562.db2.gz JSSOBPAPCPJLOY-HXUWFJFHSA-N 1 2 456.999 4.926 20 0 JJADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(Sc2ccccc2Cl)cc1 ZINC001442336346 1066117571 /nfs/dbraw/zinc/11/75/71/1066117571.db2.gz JSSOBPAPCPJLOY-HXUWFJFHSA-N 1 2 456.999 4.926 20 0 JJADLO CC[C@H](Cn1c(C(C)C)nnc1N(CC)CC1CCN(c2cccc[nH+]2)CC1)NC(=O)OC(C)(C)C ZINC001545949950 1066138526 /nfs/dbraw/zinc/13/85/26/1066138526.db2.gz IGDIRQZLSSJSHX-JOCHJYFZSA-N 1 2 499.704 4.843 20 0 JJADLO Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC001442609886 1066144971 /nfs/dbraw/zinc/14/49/71/1066144971.db2.gz OOXZWDCTOBDLDA-IBGZPJMESA-N 1 2 457.578 4.972 20 0 JJADLO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)CCC(C)C)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001360990844 1066169260 /nfs/dbraw/zinc/16/92/60/1066169260.db2.gz ZYTCPVZYWVRJAZ-NHCUHLMSSA-N 1 2 478.081 4.891 20 0 JJADLO Cc1cc(C)cc(OCc2nnc(N(Cc3cccs3)C(C)C)n2CC[N@@H+]2CCOC[C@H]2C)c1 ZINC001361023604 1066220048 /nfs/dbraw/zinc/22/00/48/1066220048.db2.gz BPYHWOWWWUROTC-JOCHJYFZSA-N 1 2 483.682 4.671 20 0 JJADLO Cc1cc(C)cc(OCc2nnc(N(Cc3cccs3)C(C)C)n2CC[N@H+]2CCOC[C@H]2C)c1 ZINC001361023604 1066220057 /nfs/dbraw/zinc/22/00/57/1066220057.db2.gz BPYHWOWWWUROTC-JOCHJYFZSA-N 1 2 483.682 4.671 20 0 JJADLO CC(C)[C@@H](NC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1)c1cccc(C(F)(F)F)c1 ZINC001442935566 1066243939 /nfs/dbraw/zinc/24/39/39/1066243939.db2.gz VKBKFPBXVPOTLW-HTAPYJJXSA-N 1 2 451.508 4.869 20 0 JJADLO CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)Nc2cccc(CCCc3ccccc3)c2)CC1 ZINC001442992088 1066251333 /nfs/dbraw/zinc/25/13/33/1066251333.db2.gz WAWVNHKWEXLZLL-UHFFFAOYSA-N 1 2 451.611 4.790 20 0 JJADLO CCCc1c(C(=O)N2CC[NH2+][C@H](c3ccc(Cl)cc3)C2)nnn1-c1cccc(C(C)C)c1 ZINC001454264273 1066259827 /nfs/dbraw/zinc/25/98/27/1066259827.db2.gz KXXXLLACDRUPJZ-QFIPXVFZSA-N 1 2 452.002 4.783 20 0 JJADLO COc1cccc(C[NH+]2CCN(C(=O)c3ccccc3SCc3c(C)noc3C)CC2)c1 ZINC001454402823 1066278137 /nfs/dbraw/zinc/27/81/37/1066278137.db2.gz UEPXSAGGTVRBGR-UHFFFAOYSA-N 1 2 451.592 4.550 20 0 JJADLO CCOc1ccc(-c2nc(CC)c(C(=O)N3CC[NH2+][C@@H](c4cccc(OC)c4)C3)s2)cc1 ZINC001454480097 1066290438 /nfs/dbraw/zinc/29/04/38/1066290438.db2.gz YCVDJECBDSDXIW-JOCHJYFZSA-N 1 2 451.592 4.567 20 0 JJADLO COc1cccc([C@H]2CN(C(=O)[C@H](Oc3ccc(F)cc3Cl)c3ccccc3)CC[NH2+]2)c1 ZINC001454479564 1066290581 /nfs/dbraw/zinc/29/05/81/1066290581.db2.gz WKWNKNRJFBXIDL-ISKFKSNPSA-N 1 2 454.929 4.781 20 0 JJADLO CC(C)(C(=O)NCC[N@@H+]1CCOCC1(C)C)c1csc(-c2c(Cl)cccc2Cl)n1 ZINC001443307742 1066293015 /nfs/dbraw/zinc/29/30/15/1066293015.db2.gz CHTXYQBMLBXXLO-UHFFFAOYSA-N 1 2 456.439 4.622 20 0 JJADLO CC(C)(C(=O)NCC[N@H+]1CCOCC1(C)C)c1csc(-c2c(Cl)cccc2Cl)n1 ZINC001443307742 1066293026 /nfs/dbraw/zinc/29/30/26/1066293026.db2.gz CHTXYQBMLBXXLO-UHFFFAOYSA-N 1 2 456.439 4.622 20 0 JJADLO Cc1cc(NC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)ccc1-n1cc[nH+]c1 ZINC001443313744 1066294454 /nfs/dbraw/zinc/29/44/54/1066294454.db2.gz PXJHWSZXEQYMCD-UHFFFAOYSA-N 1 2 456.468 4.690 20 0 JJADLO O=Cc1ccc(-c2ccc(C(=O)NC[C@@H]3CCCC[N@@H+]3Cc3cccc(Cl)c3)c(O)c2)o1 ZINC001443356974 1066299920 /nfs/dbraw/zinc/29/99/20/1066299920.db2.gz LEVHFHGXBDTBCP-FQEVSTJZSA-N 1 2 452.938 4.903 20 0 JJADLO O=Cc1ccc(-c2ccc(C(=O)NC[C@@H]3CCCC[N@H+]3Cc3cccc(Cl)c3)c(O)c2)o1 ZINC001443356974 1066299931 /nfs/dbraw/zinc/29/99/31/1066299931.db2.gz LEVHFHGXBDTBCP-FQEVSTJZSA-N 1 2 452.938 4.903 20 0 JJADLO CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001443384131 1066303943 /nfs/dbraw/zinc/30/39/43/1066303943.db2.gz FBQNQEIHDKLBFG-IBGZPJMESA-N 1 2 455.603 4.667 20 0 JJADLO CCc1c(NC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)n[nH]c1-c1ccc(Br)cc1 ZINC001443493740 1066318253 /nfs/dbraw/zinc/31/82/53/1066318253.db2.gz BCISZUCBIFNJFZ-HNNXBMFYSA-N 1 2 453.384 4.787 20 0 JJADLO CCc1c(NC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)n[nH]c1-c1ccc(Br)cc1 ZINC001443493740 1066318269 /nfs/dbraw/zinc/31/82/69/1066318269.db2.gz BCISZUCBIFNJFZ-HNNXBMFYSA-N 1 2 453.384 4.787 20 0 JJADLO Cc1cc(Cl)ccc1OCCCc1nnc(N(C)CC(C)(C)C)n1CC1([NH+]2CCOCC2)CC1 ZINC001361087398 1066327019 /nfs/dbraw/zinc/32/70/19/1066327019.db2.gz JJMPZJUIZVUUIW-UHFFFAOYSA-N 1 2 490.092 4.599 20 0 JJADLO Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@@H](C)[C@@H]2C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001361088293 1066330153 /nfs/dbraw/zinc/33/01/53/1066330153.db2.gz HOUVJHCLJRVJPV-QUCCMNQESA-N 1 2 483.060 4.996 20 0 JJADLO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC001443605321 1066336698 /nfs/dbraw/zinc/33/66/98/1066336698.db2.gz QEDOGTAWRKUXNW-ZHRRBRCNSA-N 1 2 453.583 4.633 20 0 JJADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)c2cc(NC(C)=O)ccc2Cl)cc1 ZINC001443670717 1066347124 /nfs/dbraw/zinc/34/71/24/1066347124.db2.gz GDQQHWRNPUUQFK-UHFFFAOYSA-N 1 2 454.958 4.626 20 0 JJADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)c2cc(N(C)C)c3ccccc3n2)cc1 ZINC001443674597 1066347579 /nfs/dbraw/zinc/34/75/79/1066347579.db2.gz LREJVRWCQXNIGZ-UHFFFAOYSA-N 1 2 457.578 4.629 20 0 JJADLO Cc1cc(N2CCN(c3nnc(C(C)C)n3Cc3cccc(C(F)F)c3)CC2)nc(C(C)C)[nH+]1 ZINC001361102802 1066352022 /nfs/dbraw/zinc/35/20/22/1066352022.db2.gz GOSOEHIZCDGYDN-UHFFFAOYSA-N 1 2 469.584 4.936 20 0 JJADLO Cc1cc(N2CCN(c3nnc(CC(C)(C)C)n3Cc3ccc(F)cc3F)CC2)nc(C(C)C)[nH+]1 ZINC001361105430 1066354514 /nfs/dbraw/zinc/35/45/14/1066354514.db2.gz KAUXDROYNVJNDX-UHFFFAOYSA-N 1 2 483.611 4.742 20 0 JJADLO Cc1cc(N2CCN(c3nnc(CC(C)C)n3C[C@@H]3CCCC3(C)C)CC2)nc(C(C)C)[nH+]1 ZINC001361105705 1066355176 /nfs/dbraw/zinc/35/51/76/1066355176.db2.gz TYDXHARSDNXJGP-NRFANRHFSA-N 1 2 453.679 4.851 20 0 JJADLO Cc1ccc([C@@H](Cn2c(C(C)C)nnc2N2CCC(C(F)(F)F)CC2)[NH+]2CCOCC2)cc1 ZINC001361134964 1066407681 /nfs/dbraw/zinc/40/76/81/1066407681.db2.gz IRIGRHURTLNHDN-OAQYLSRUSA-N 1 2 465.564 4.562 20 0 JJADLO CC1=C(C)C[C@@](C)(C(=O)NCc2ccc(C[NH+]3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1 ZINC001455644017 1066417943 /nfs/dbraw/zinc/41/79/43/1066417943.db2.gz FCKRZMMVFWAMIV-MHZLTWQESA-N 1 2 455.643 4.882 20 0 JJADLO O=C(NCCc1[nH]cc[nH+]1)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 ZINC001444202353 1066428376 /nfs/dbraw/zinc/42/83/76/1066428376.db2.gz RMTUNTPCIQWROS-UHFFFAOYSA-N 1 2 453.618 4.651 20 0 JJADLO Cc1ccc(C)c(OCc2nnc(N(C)CC[NH+]3CCOCC3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC001361148943 1066438262 /nfs/dbraw/zinc/43/82/62/1066438262.db2.gz CHWLUNUKVGDQSD-LEWJYISDSA-N 1 2 495.590 4.536 20 0 JJADLO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[C@@H](Nc3cccc[nH+]3)CC1)C2 ZINC001455827928 1066439644 /nfs/dbraw/zinc/43/96/44/1066439644.db2.gz QHYKCFWOQRTDLX-YZIHRLCOSA-N 1 2 456.631 4.692 20 0 JJADLO Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](C)C(C)(C)C3)n2Cc2ccc(N(C)C)[nH+]c2)c1 ZINC001361153009 1066448020 /nfs/dbraw/zinc/44/80/20/1066448020.db2.gz UGDACDUAJSNZFW-OAQYLSRUSA-N 1 2 462.642 4.856 20 0 JJADLO CC(=O)Nc1ccc(N(Cc2ccc(Br)cc2)C(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC001456008206 1066471095 /nfs/dbraw/zinc/47/10/95/1066471095.db2.gz MREDUYZFJBUPOV-INIZCTEOSA-N 1 2 455.356 4.789 20 0 JJADLO Cc1ccc(C)c(OCc2nnc(N3CCS[C@@H](C(C)C)C3)n2CCCNc2cccc[nH+]2)c1 ZINC001361164168 1066475822 /nfs/dbraw/zinc/47/58/22/1066475822.db2.gz XNMMBDSUVUUOOA-HSZRJFAPSA-N 1 2 480.682 4.949 20 0 JJADLO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC001361173085 1066490762 /nfs/dbraw/zinc/49/07/62/1066490762.db2.gz NCZPSBSCBAFIOA-ROUUACIJSA-N 1 2 451.394 4.510 20 0 JJADLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N[C@H](c2ccccc2Cl)c2ccccc2OC)cc1 ZINC001444669341 1066490850 /nfs/dbraw/zinc/49/08/50/1066490850.db2.gz PWPRSZLUXGJLKS-ILBGXUMGSA-N 1 2 450.966 4.837 20 0 JJADLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N[C@H](c2ccccc2Cl)c2ccccc2OC)cc1 ZINC001444669341 1066490852 /nfs/dbraw/zinc/49/08/52/1066490852.db2.gz PWPRSZLUXGJLKS-ILBGXUMGSA-N 1 2 450.966 4.837 20 0 JJADLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N[C@@H](c2ccccc2Cl)c2ccccc2OC)cc1 ZINC001444669347 1066490869 /nfs/dbraw/zinc/49/08/69/1066490869.db2.gz PWPRSZLUXGJLKS-NOZRDPDXSA-N 1 2 450.966 4.837 20 0 JJADLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N[C@@H](c2ccccc2Cl)c2ccccc2OC)cc1 ZINC001444669347 1066490873 /nfs/dbraw/zinc/49/08/73/1066490873.db2.gz PWPRSZLUXGJLKS-NOZRDPDXSA-N 1 2 450.966 4.837 20 0 JJADLO CC[C@@]1(C)CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001546079002 1066500541 /nfs/dbraw/zinc/50/05/41/1066500541.db2.gz DESDTUGCJIEAKB-DEOSSOPVSA-N 1 2 478.106 4.961 20 0 JJADLO CC[C@@]1(C)CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001546079002 1066500552 /nfs/dbraw/zinc/50/05/52/1066500552.db2.gz DESDTUGCJIEAKB-DEOSSOPVSA-N 1 2 478.106 4.961 20 0 JJADLO Cc1cccn2cc(CCNC(=O)[C@@H](C)SCc3ncc(-c4ccc(Cl)cc4)o3)[nH+]c12 ZINC001361191822 1066519451 /nfs/dbraw/zinc/51/94/51/1066519451.db2.gz AHJRVNBGQUBUSF-MRXNPFEDSA-N 1 2 454.983 4.932 20 0 JJADLO CC[C@@]1(C)CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001546079970 1066520862 /nfs/dbraw/zinc/52/08/62/1066520862.db2.gz XULRPKJODCMSOJ-IDISGSTGSA-N 1 2 469.674 4.502 20 0 JJADLO CC[C@@]1(C)CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001546079970 1066520868 /nfs/dbraw/zinc/52/08/68/1066520868.db2.gz XULRPKJODCMSOJ-IDISGSTGSA-N 1 2 469.674 4.502 20 0 JJADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc([C@@H](C)Sc2ccccc2)cc1 ZINC001445363888 1066562540 /nfs/dbraw/zinc/56/25/40/1066562540.db2.gz HJWQLISCYSWOMX-JPYJTQIMSA-N 1 2 450.608 4.975 20 0 JJADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc([C@@H](C)Sc2ccccc2)cc1 ZINC001445363888 1066562552 /nfs/dbraw/zinc/56/25/52/1066562552.db2.gz HJWQLISCYSWOMX-JPYJTQIMSA-N 1 2 450.608 4.975 20 0 JJADLO Cc1ccc(CN(C)c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@H](C)[NH+]2CCOCC2)s1 ZINC001361247804 1066590341 /nfs/dbraw/zinc/59/03/41/1066590341.db2.gz BGAXWZLFUKQKOV-PKOBYXMFSA-N 1 2 490.073 4.799 20 0 JJADLO CC(C)(C)OC(=O)NCC[N@H+](CC(=O)N(CC1CCC1)c1ccccc1)Cc1ccccc1 ZINC001361266056 1066618679 /nfs/dbraw/zinc/61/86/79/1066618679.db2.gz MQDWGZLQAMOSGM-UHFFFAOYSA-N 1 2 451.611 4.847 20 0 JJADLO CC(C)(C)OC(=O)NCC[N@@H+](CC(=O)N(CC1CCC1)c1ccccc1)Cc1ccccc1 ZINC001361266056 1066618686 /nfs/dbraw/zinc/61/86/86/1066618686.db2.gz MQDWGZLQAMOSGM-UHFFFAOYSA-N 1 2 451.611 4.847 20 0 JJADLO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC001456582824 1066632232 /nfs/dbraw/zinc/63/22/32/1066632232.db2.gz ZSTGJYUGSFZKIO-UHFFFAOYSA-N 1 2 452.986 4.595 20 0 JJADLO Cc1ccccc1OCCN(C)c1nnc(CC(C)C)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001492602690 1066659007 /nfs/dbraw/zinc/65/90/07/1066659007.db2.gz WFKOOHMTVXLQPL-UHFFFAOYSA-N 1 2 476.669 4.980 20 0 JJADLO CCN(C(=O)c1ccsc1Br)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001456684799 1066665802 /nfs/dbraw/zinc/66/58/02/1066665802.db2.gz GWVMYPKNMPWSQY-UHFFFAOYSA-N 1 2 451.434 4.864 20 0 JJADLO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC=C(C)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001492609620 1066671233 /nfs/dbraw/zinc/67/12/33/1066671233.db2.gz SOXWHGVAEVIALL-OAQYLSRUSA-N 1 2 488.076 4.956 20 0 JJADLO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CCC=C(C)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001492609620 1066671239 /nfs/dbraw/zinc/67/12/39/1066671239.db2.gz SOXWHGVAEVIALL-OAQYLSRUSA-N 1 2 488.076 4.956 20 0 JJADLO CCCOc1ccc(C(=O)c2ccccc2C(=O)N2CC[N@H+](CC)[C@@H](C)C2)cc1OCCC ZINC001446195341 1066674215 /nfs/dbraw/zinc/67/42/15/1066674215.db2.gz NMCXYSYXBKMPCK-FQEVSTJZSA-N 1 2 452.595 4.661 20 0 JJADLO CCCOc1ccc(C(=O)c2ccccc2C(=O)N2CC[N@@H+](CC)[C@@H](C)C2)cc1OCCC ZINC001446195341 1066674221 /nfs/dbraw/zinc/67/42/21/1066674221.db2.gz NMCXYSYXBKMPCK-FQEVSTJZSA-N 1 2 452.595 4.661 20 0 JJADLO Cc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)cc1 ZINC001446294669 1066686877 /nfs/dbraw/zinc/68/68/77/1066686877.db2.gz UZDTWYQQJAHLIA-QHCPKHFHSA-N 1 2 452.599 4.653 20 0 JJADLO Cc1c(Br)c2ccccc2n1CC(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC001446295232 1066686924 /nfs/dbraw/zinc/68/69/24/1066686924.db2.gz VPMXILYHGQMZLC-UHFFFAOYSA-N 1 2 455.400 4.804 20 0 JJADLO Cc1cn2c([nH+]1)[C@H](Cn1c(CC(C)(C)C)nnc1N(C)CCOc1ccc(F)cc1)CCC2 ZINC001492628554 1066700105 /nfs/dbraw/zinc/70/01/05/1066700105.db2.gz HHTFTLPTVZZMHP-IBGZPJMESA-N 1 2 454.594 4.604 20 0 JJADLO Cc1cn2c([nH+]1)[C@@H](Cn1c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc1N(C)CCC(F)F)CCC2 ZINC001492628812 1066700243 /nfs/dbraw/zinc/70/02/43/1066700243.db2.gz NNGOELOACGCBND-MSOLQXFVSA-N 1 2 493.603 4.524 20 0 JJADLO Cc1cn2c([nH+]1)[C@@H](Cn1c(-c3cccc(Br)c3)nnc1N(C)CC(C)C)CCC2 ZINC001492629332 1066700977 /nfs/dbraw/zinc/70/09/77/1066700977.db2.gz ZNMLOWIKCOCMIO-GOSISDBHSA-N 1 2 457.420 4.882 20 0 JJADLO Cc1csc(CN(C)c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@H](C)[NH+]2CCOCC2)c1 ZINC001492644900 1066744401 /nfs/dbraw/zinc/74/44/01/1066744401.db2.gz DTZJKSGRARGNAC-RTBURBONSA-N 1 2 490.073 4.799 20 0 JJADLO Cc1csc(CN(C)c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H](C)[NH+]2CCOCC2)c1 ZINC001492644897 1066744489 /nfs/dbraw/zinc/74/44/89/1066744489.db2.gz DTZJKSGRARGNAC-MOPGFXCFSA-N 1 2 490.073 4.799 20 0 JJADLO Cc1cccn2cc(CCNC(=O)c3ccc(Oc4ccc(Br)cc4)nc3)[nH+]c12 ZINC001457207681 1066789777 /nfs/dbraw/zinc/78/97/77/1066789777.db2.gz KGZFAHNPDUOLAG-UHFFFAOYSA-N 1 2 451.324 4.565 20 0 JJADLO Cc1nc(Cc2nnc(N(CC(C)C)C(C)C)n2C[C@H](c2ccccc2)[NH+]2CCOCC2)cs1 ZINC001492669913 1066799270 /nfs/dbraw/zinc/79/92/70/1066799270.db2.gz LBJFUVUVJCPIDG-XMMPIXPASA-N 1 2 482.698 4.578 20 0 JJADLO Cc1nc(Cc2nnc(N3CCC[C@H](C)CC3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)cs1 ZINC001492679200 1066821345 /nfs/dbraw/zinc/82/13/45/1066821345.db2.gz WTQCSSYZHWBJIR-HRAATJIYSA-N 1 2 474.625 4.841 20 0 JJADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(Br)c(C)cc1Br ZINC001447650479 1066835400 /nfs/dbraw/zinc/83/54/00/1066835400.db2.gz FHGZQIBWISMSKK-UHFFFAOYSA-N 1 2 457.210 4.831 20 0 JJADLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1csc(-c2ccc(Br)s2)n1 ZINC001447650971 1066836020 /nfs/dbraw/zinc/83/60/20/1066836020.db2.gz HZOMCLFUKPWKTD-UHFFFAOYSA-N 1 2 453.431 4.945 20 0 JJADLO CC1CC[NH+](Cc2csc(NC(=O)c3cnnn3-c3c(Cl)cccc3Cl)n2)CC1 ZINC001457504260 1066844925 /nfs/dbraw/zinc/84/49/25/1066844925.db2.gz KUGKXAGHDRCKMN-UHFFFAOYSA-N 1 2 451.383 4.515 20 0 JJADLO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC001457505219 1066845625 /nfs/dbraw/zinc/84/56/25/1066845625.db2.gz UFOSTABJQPZZDA-QGZVFWFLSA-N 1 2 456.395 4.606 20 0 JJADLO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC001457505219 1066845631 /nfs/dbraw/zinc/84/56/31/1066845631.db2.gz UFOSTABJQPZZDA-QGZVFWFLSA-N 1 2 456.395 4.606 20 0 JJADLO CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC001457506228 1066845987 /nfs/dbraw/zinc/84/59/87/1066845987.db2.gz WWUKCUYCRUPZCV-OAQYLSRUSA-N 1 2 458.628 4.655 20 0 JJADLO CC[NH+](CC)[C@H](CNC(=O)c1cc(Cl)cc(Br)c1O)c1cccc(OC)c1 ZINC001457512720 1066847186 /nfs/dbraw/zinc/84/71/86/1066847186.db2.gz FULBWHWFIMEMLB-GOSISDBHSA-N 1 2 455.780 4.630 20 0 JJADLO Cc1ncc(C[NH+]2CCN(c3nnc(CC(C)(C)C)n3CCCc3cccc(F)c3)CC2)s1 ZINC001492701746 1066859202 /nfs/dbraw/zinc/85/92/02/1066859202.db2.gz FHVHWERVKCRMCK-UHFFFAOYSA-N 1 2 470.662 4.726 20 0 JJADLO C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1c(F)cccc1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC001457710997 1066902072 /nfs/dbraw/zinc/90/20/72/1066902072.db2.gz OHUJCRFSNPRFEU-BTYIYWSLSA-N 1 2 456.493 4.594 20 0 JJADLO C[C@@H](NC(=O)c1scc(Br)c1Br)c1ccc(-n2cc[nH+]c2)cc1 ZINC001457711054 1066902208 /nfs/dbraw/zinc/90/22/08/1066902208.db2.gz OUOKNTFAHZXHPM-SNVBAGLBSA-N 1 2 455.175 4.950 20 0 JJADLO O=C(NCCC1CC[NH+](Cc2ccccc2)CC1)c1cc(Cl)cc(Br)c1O ZINC001457962624 1066949213 /nfs/dbraw/zinc/94/92/13/1066949213.db2.gz VUUFFRYOADPUIN-UHFFFAOYSA-N 1 2 451.792 4.840 20 0 JJADLO COc1ccc(-c2ncc(C(=O)N3C[C@H](C)[N@H+](Cc4ccccc4)C[C@H]3C)s2)cc1OC ZINC001457997875 1066954592 /nfs/dbraw/zinc/95/45/92/1066954592.db2.gz IKECOIVDRKCNLK-ZWKOTPCHSA-N 1 2 451.592 4.562 20 0 JJADLO COc1ccc(-c2ncc(C(=O)N3C[C@H](C)[N@@H+](Cc4ccccc4)C[C@H]3C)s2)cc1OC ZINC001457997875 1066954607 /nfs/dbraw/zinc/95/46/07/1066954607.db2.gz IKECOIVDRKCNLK-ZWKOTPCHSA-N 1 2 451.592 4.562 20 0 JJADLO CC(C)Cc1ncnc(NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1I ZINC001458052973 1066961643 /nfs/dbraw/zinc/96/16/43/1066961643.db2.gz FSPXVGUVESCWTA-INIZCTEOSA-N 1 2 454.356 4.512 20 0 JJADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@@H](Oc2cccc(Cl)c2Cl)c2ccccc2)C[C@H](C)O1 ZINC001448927629 1066970999 /nfs/dbraw/zinc/97/09/99/1066970999.db2.gz DJAZDOITDNEKJI-JKSBSHDWSA-N 1 2 451.394 4.681 20 0 JJADLO C[C@@H]1C[N@H+](CCN(C)C(=O)[C@@H](Oc2cccc(Cl)c2Cl)c2ccccc2)C[C@H](C)O1 ZINC001448927629 1066971009 /nfs/dbraw/zinc/97/10/09/1066971009.db2.gz DJAZDOITDNEKJI-JKSBSHDWSA-N 1 2 451.394 4.681 20 0 JJADLO CC[C@@H](c1nnc(N(C)Cc2cnc(C(C)C)nc2)n1Cc1ccc(N(C)C)[nH+]c1)c1ccccc1 ZINC001545721564 1066976149 /nfs/dbraw/zinc/97/61/49/1066976149.db2.gz BZCDTVNTKIBOBH-XMMPIXPASA-N 1 2 484.652 4.879 20 0 JJADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N(C)[C@H](C)c3ccccn3)c2c1C ZINC001458141137 1066986443 /nfs/dbraw/zinc/98/64/43/1066986443.db2.gz KPSZGNXGDYDGCI-QGZVFWFLSA-N 1 2 453.612 4.755 20 0 JJADLO Cc1cccc(C)c1OCC(=O)N1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC001458169314 1066994760 /nfs/dbraw/zinc/99/47/60/1066994760.db2.gz BEDAJUINBSWIQQ-UHFFFAOYSA-N 1 2 458.602 4.633 20 0 JJADLO Cc1ccc(C(=O)N2CC[NH+](CCOC(c3ccccc3)c3ccccc3)CC2)c(F)c1F ZINC001458175727 1066997155 /nfs/dbraw/zinc/99/71/55/1066997155.db2.gz YIGVNVMJXXIXKP-UHFFFAOYSA-N 1 2 450.529 4.837 20 0 JJADLO CC[C@@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1)OC ZINC001546013026 1066997475 /nfs/dbraw/zinc/99/74/75/1066997475.db2.gz SPQQNKYDHZEKQQ-QFIPXVFZSA-N 1 2 492.668 4.603 20 0 JJADLO O=C(c1cccc(-c2cscn2)c1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC001449307465 1066997504 /nfs/dbraw/zinc/99/75/04/1066997504.db2.gz DNAGQHXOKSTANH-UHFFFAOYSA-N 1 2 457.353 4.705 20 0 JJADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2cc(OC(F)F)cc(OC(F)F)c2)c(C)c1 ZINC001458185094 1066999741 /nfs/dbraw/zinc/99/97/41/1066999741.db2.gz RDOMXJIDJWPYOL-LJQANCHMSA-N 1 2 451.420 4.874 20 0 JJADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2cc(OC(F)F)cc(OC(F)F)c2)c(C)c1 ZINC001458185091 1066999834 /nfs/dbraw/zinc/99/98/34/1066999834.db2.gz RDOMXJIDJWPYOL-IBGZPJMESA-N 1 2 451.420 4.874 20 0 JJADLO C[C@@H](CCOc1ccccc1)C(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC001449365355 1067004599 /nfs/dbraw/zinc/00/45/99/1067004599.db2.gz KLDYBOSDNWPKTN-IBGZPJMESA-N 1 2 456.384 4.780 20 0 JJADLO CC[C@@H](c1nnc(N2CCC=C(Br)C2)n1Cc1ccc(N(C)C)[nH+]c1)c1ccccc1 ZINC001545746064 1067013505 /nfs/dbraw/zinc/01/35/05/1067013505.db2.gz JVTTUMYZWHYGLA-OAQYLSRUSA-N 1 2 481.442 4.818 20 0 JJADLO CC[C@@H](c1nnc(N2CCC[C@@H](CNC(C)=O)C2)n1CCCc1cccc(C)[nH+]1)c1ccccc1 ZINC001545746360 1067014189 /nfs/dbraw/zinc/01/41/89/1067014189.db2.gz NQBRRQPDWWTZQC-JYFHCDHNSA-N 1 2 474.653 4.509 20 0 JJADLO CCC(CC)(Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1)OC ZINC001545774592 1067067714 /nfs/dbraw/zinc/06/77/14/1067067714.db2.gz UWLBBBCDDUXDQC-UHFFFAOYSA-N 1 2 499.059 4.836 20 0 JJADLO CC(C)C[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1cccc(NC(=O)N(C)C)c1 ZINC001450299678 1067070448 /nfs/dbraw/zinc/07/04/48/1067070448.db2.gz SNAJUHKFRMJRPN-QHCPKHFHSA-N 1 2 457.018 4.806 20 0 JJADLO CC(C)C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1cccc(NC(=O)N(C)C)c1 ZINC001450299678 1067070462 /nfs/dbraw/zinc/07/04/62/1067070462.db2.gz SNAJUHKFRMJRPN-QHCPKHFHSA-N 1 2 457.018 4.806 20 0 JJADLO CC(C)[C@H](O)[C@@H](Nc1[nH+]cnc2c1cnn2-c1cccc(Br)c1)c1ccccc1 ZINC001458505379 1067077325 /nfs/dbraw/zinc/07/73/25/1067077325.db2.gz RZAJUEBNHWPJFC-PMACEKPBSA-N 1 2 452.356 4.748 20 0 JJADLO CC(C)[C@@H](O)[C@H](Nc1[nH+]cnc2c1cnn2-c1cccc(Br)c1)c1ccccc1 ZINC001458505386 1067077575 /nfs/dbraw/zinc/07/75/75/1067077575.db2.gz RZAJUEBNHWPJFC-WOJBJXKFSA-N 1 2 452.356 4.748 20 0 JJADLO CCC(CC)(Cn1c(Cc2ccsc2)nnc1N1CCN(c2cccc[nH+]2)CC1)SC ZINC001545790948 1067087561 /nfs/dbraw/zinc/08/75/61/1067087561.db2.gz CDHDJYHLZXVGOZ-UHFFFAOYSA-N 1 2 456.685 4.574 20 0 JJADLO CC(C)(C)OC(=O)N1CC[NH+](Cc2ccc(CNc3nc(C(F)(F)F)cs3)cc2)CC1 ZINC001458580914 1067090852 /nfs/dbraw/zinc/09/08/52/1067090852.db2.gz XSYAMBAJPHMBJN-UHFFFAOYSA-N 1 2 456.534 4.827 20 0 JJADLO CC[N@H+](CC(=O)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1)Cc1ccccc1Cl ZINC001450748468 1067115724 /nfs/dbraw/zinc/11/57/24/1067115724.db2.gz ULUQUOHJWGDEDA-HXUWFJFHSA-N 1 2 456.892 4.661 20 0 JJADLO CC[N@@H+](CC(=O)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1)Cc1ccccc1Cl ZINC001450748468 1067115727 /nfs/dbraw/zinc/11/57/27/1067115727.db2.gz ULUQUOHJWGDEDA-HXUWFJFHSA-N 1 2 456.892 4.661 20 0 JJADLO C[C@H](Nc1[nH+]cnc2c1cnn2-c1cccc(Br)c1)c1cc(F)ccc1N(C)C ZINC001458736201 1067126076 /nfs/dbraw/zinc/12/60/76/1067126076.db2.gz WOFFECMSQVHEAP-ZDUSSCGKSA-N 1 2 455.335 4.956 20 0 JJADLO COC(=O)c1cccc(Cl)c1CSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC001458755063 1067132171 /nfs/dbraw/zinc/13/21/71/1067132171.db2.gz VPVSPRQBVFSRCD-UHFFFAOYSA-N 1 2 456.999 4.655 20 0 JJADLO Cc1cc(Br)cn2cc(CCNC(=O)c3ccccc3CCC(F)(F)F)[nH+]c12 ZINC001458817941 1067154441 /nfs/dbraw/zinc/15/44/41/1067154441.db2.gz WKKAOOPGFHGGBG-UHFFFAOYSA-N 1 2 454.290 4.873 20 0 JJADLO Cc1cc(Br)cn2cc(CCNC(=O)CCCOc3ccc(Cl)cc3)[nH+]c12 ZINC001458819323 1067154856 /nfs/dbraw/zinc/15/48/56/1067154856.db2.gz ZILFVWFPTLYOSZ-UHFFFAOYSA-N 1 2 450.764 4.577 20 0 JJADLO CCC(CC)NC(=O)c1nnc(N(C)c2cccc(C)c2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001545828028 1067178363 /nfs/dbraw/zinc/17/83/63/1067178363.db2.gz INIGZPZZAXAEAS-UHFFFAOYSA-N 1 2 475.641 4.706 20 0 JJADLO C[C@@H](Sc1nc2cc(C(F)(F)F)ccc2s1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001458874728 1067181704 /nfs/dbraw/zinc/18/17/04/1067181704.db2.gz IWKZFIJDPDSXPV-CYBMUJFWSA-N 1 2 452.527 4.540 20 0 JJADLO CC(C)(C)OC(=O)N1CCc2c(cccc2C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC001546105559 1067230575 /nfs/dbraw/zinc/23/05/75/1067230575.db2.gz NNMPEVKPWSVCFK-UHFFFAOYSA-N 1 2 452.599 4.509 20 0 JJADLO CC[NH+](CC)Cc1csc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3NC(=O)OC(C)(C)C)n1 ZINC001452545276 1067233118 /nfs/dbraw/zinc/23/31/18/1067233118.db2.gz ZTSISXHUIDTRFV-GIOYIUAESA-N 1 2 450.649 4.643 20 0 JJADLO Cc1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)c2nccc(C)c2c1 ZINC001459045419 1067238226 /nfs/dbraw/zinc/23/82/26/1067238226.db2.gz QEAMGUXGXWTVSQ-UHFFFAOYSA-N 1 2 453.384 4.618 20 0 JJADLO Cc1cc(N2CCN(C(=O)CSc3nc(C4CCCCC4)cs3)CC2)nc(C(C)C)[nH+]1 ZINC001459238866 1067276054 /nfs/dbraw/zinc/27/60/54/1067276054.db2.gz NEQGZSMPASNWCD-UHFFFAOYSA-N 1 2 459.685 4.854 20 0 JJADLO CCCc1c(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)nnn1-c1cccc(C(C)C)c1 ZINC001459300577 1067286924 /nfs/dbraw/zinc/28/69/24/1067286924.db2.gz MRJNNCQQROEWDF-LJQANCHMSA-N 1 2 451.640 4.924 20 0 JJADLO COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)C[N@H+](C)CCOc2cccc(C)c2)cc1 ZINC001459330435 1067296367 /nfs/dbraw/zinc/29/63/67/1067296367.db2.gz HDTLBLBUSDRVIN-MHZLTWQESA-N 1 2 457.574 4.692 20 0 JJADLO COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)C[N@@H+](C)CCOc2cccc(C)c2)cc1 ZINC001459330435 1067296381 /nfs/dbraw/zinc/29/63/81/1067296381.db2.gz HDTLBLBUSDRVIN-MHZLTWQESA-N 1 2 457.574 4.692 20 0 JJADLO COc1cc(C[N@H+](C)CC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)cc(OC)c1 ZINC001459347064 1067299647 /nfs/dbraw/zinc/29/96/47/1067299647.db2.gz CEMMPHREOGLOIH-UHFFFAOYSA-N 1 2 456.546 4.627 20 0 JJADLO COc1cc(C[N@@H+](C)CC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)cc(OC)c1 ZINC001459347064 1067299655 /nfs/dbraw/zinc/29/96/55/1067299655.db2.gz CEMMPHREOGLOIH-UHFFFAOYSA-N 1 2 456.546 4.627 20 0 JJADLO C[N@H+](CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC001459346743 1067299747 /nfs/dbraw/zinc/29/97/47/1067299747.db2.gz HHJHEBQGGKDEMY-IFMALSPDSA-N 1 2 453.385 4.850 20 0 JJADLO C[N@@H+](CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC001459346743 1067299753 /nfs/dbraw/zinc/29/97/53/1067299753.db2.gz HHJHEBQGGKDEMY-IFMALSPDSA-N 1 2 453.385 4.850 20 0 JJADLO CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@@H](c1ccccc1)[N@H+](C)CCOC ZINC001459362847 1067303503 /nfs/dbraw/zinc/30/35/03/1067303503.db2.gz OAOJTKSPKFGLCW-JOCHJYFZSA-N 1 2 452.576 4.850 20 0 JJADLO CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CCOC ZINC001459362847 1067303506 /nfs/dbraw/zinc/30/35/06/1067303506.db2.gz OAOJTKSPKFGLCW-JOCHJYFZSA-N 1 2 452.576 4.850 20 0 JJADLO CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@H](c1ccccc1)[N@H+](C)CCOC ZINC001459362854 1067303577 /nfs/dbraw/zinc/30/35/77/1067303577.db2.gz OAOJTKSPKFGLCW-QFIPXVFZSA-N 1 2 452.576 4.850 20 0 JJADLO CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@H](c1ccccc1)[N@@H+](C)CCOC ZINC001459362854 1067303584 /nfs/dbraw/zinc/30/35/84/1067303584.db2.gz OAOJTKSPKFGLCW-QFIPXVFZSA-N 1 2 452.576 4.850 20 0 JJADLO CC(C)[N@H+](CC(=O)NCc1ccc(OC(F)F)cc1)Cc1cc(Br)ccc1F ZINC001459374353 1067306715 /nfs/dbraw/zinc/30/67/15/1067306715.db2.gz KHLTXFTUHGDARL-UHFFFAOYSA-N 1 2 459.306 4.716 20 0 JJADLO CC(C)[N@@H+](CC(=O)NCc1ccc(OC(F)F)cc1)Cc1cc(Br)ccc1F ZINC001459374353 1067306728 /nfs/dbraw/zinc/30/67/28/1067306728.db2.gz KHLTXFTUHGDARL-UHFFFAOYSA-N 1 2 459.306 4.716 20 0 JJADLO COCC[N@H+](CC(=O)N(C)[C@@]1(c2ccccc2Cl)CCCCC1=O)[C@@H](C)c1ccccc1 ZINC001459381132 1067308697 /nfs/dbraw/zinc/30/86/97/1067308697.db2.gz UIKCYGWLJTZJAH-RXFWQSSRSA-N 1 2 457.014 4.846 20 0 JJADLO COCC[N@@H+](CC(=O)N(C)[C@@]1(c2ccccc2Cl)CCCCC1=O)[C@@H](C)c1ccccc1 ZINC001459381132 1067308706 /nfs/dbraw/zinc/30/87/06/1067308706.db2.gz UIKCYGWLJTZJAH-RXFWQSSRSA-N 1 2 457.014 4.846 20 0 JJADLO COCC[N@H+](CC(=O)N(C)[C@]1(c2ccccc2Cl)CCCCC1=O)[C@H](C)c1ccccc1 ZINC001459381131 1067308727 /nfs/dbraw/zinc/30/87/27/1067308727.db2.gz UIKCYGWLJTZJAH-IBVKSMDESA-N 1 2 457.014 4.846 20 0 JJADLO COCC[N@@H+](CC(=O)N(C)[C@]1(c2ccccc2Cl)CCCCC1=O)[C@H](C)c1ccccc1 ZINC001459381131 1067308736 /nfs/dbraw/zinc/30/87/36/1067308736.db2.gz UIKCYGWLJTZJAH-IBVKSMDESA-N 1 2 457.014 4.846 20 0 JJADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)CCc2ccc(C)cc2Br)[C@@H](C)C1 ZINC001459409923 1067315738 /nfs/dbraw/zinc/31/57/38/1067315738.db2.gz GUBNOXDLSSVNIH-IBGZPJMESA-N 1 2 459.428 4.822 20 0 JJADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)CCc2ccc(C)cc2Br)[C@@H](C)C1 ZINC001459409923 1067315752 /nfs/dbraw/zinc/31/57/52/1067315752.db2.gz GUBNOXDLSSVNIH-IBGZPJMESA-N 1 2 459.428 4.822 20 0 JJADLO COC(=O)c1ccc(Br)c(C[N@@H+]2CCCC[C@H]2[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC001459412937 1067317032 /nfs/dbraw/zinc/31/70/32/1067317032.db2.gz CLXZBGFFHVXNJX-KDOFPFPSSA-N 1 2 455.393 4.503 20 0 JJADLO COC(=O)c1ccc(Br)c(C[N@H+]2CCCC[C@H]2[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC001459412937 1067317046 /nfs/dbraw/zinc/31/70/46/1067317046.db2.gz CLXZBGFFHVXNJX-KDOFPFPSSA-N 1 2 455.393 4.503 20 0 JJADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cc3cc(C(F)(F)F)ccc3n2C)[C@@H](C)C1 ZINC001459415119 1067318475 /nfs/dbraw/zinc/31/84/75/1067318475.db2.gz SENUENYMTNWASC-KRWDZBQOSA-N 1 2 459.512 4.942 20 0 JJADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cc3cc(C(F)(F)F)ccc3n2C)[C@@H](C)C1 ZINC001459415119 1067318480 /nfs/dbraw/zinc/31/84/80/1067318480.db2.gz SENUENYMTNWASC-KRWDZBQOSA-N 1 2 459.512 4.942 20 0 JJADLO CC[C@@]1(C)CC[C@@H](Cn2c(CC(C)C)nnc2N2CC[NH+](CCOc3ccccc3Cl)CC2)O1 ZINC001546055213 1067330996 /nfs/dbraw/zinc/33/09/96/1067330996.db2.gz YCUTVFDWXCGYNP-LVXARBLLSA-N 1 2 490.092 4.679 20 0 JJADLO Cc1ccc(NC(=O)Cc2nc(C[NH+]3CCC([C@H](O)c4ccc(F)cc4)CC3)cs2)cc1 ZINC001459468564 1067332322 /nfs/dbraw/zinc/33/23/22/1067332322.db2.gz RHIHASUSQFULSS-RUZDIDTESA-N 1 2 453.583 4.717 20 0 JJADLO O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@H+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC001459662273 1067375003 /nfs/dbraw/zinc/37/50/03/1067375003.db2.gz DLKNKQGAPOGGOO-HNNXBMFYSA-N 1 2 450.301 4.579 20 0 JJADLO O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC001459662273 1067375014 /nfs/dbraw/zinc/37/50/14/1067375014.db2.gz DLKNKQGAPOGGOO-HNNXBMFYSA-N 1 2 450.301 4.579 20 0 JJADLO O=C(NC[C@H]1CCCC[N@H+]1CC[S@](=O)c1cc(Cl)ccc1Cl)Nc1ccccc1 ZINC001459689828 1067384393 /nfs/dbraw/zinc/38/43/93/1067384393.db2.gz CZOVHJGJOIADIT-LBEKAKSKSA-N 1 2 454.423 4.777 20 0 JJADLO O=C(NC[C@H]1CCCC[N@@H+]1CC[S@](=O)c1cc(Cl)ccc1Cl)Nc1ccccc1 ZINC001459689828 1067384405 /nfs/dbraw/zinc/38/44/05/1067384405.db2.gz CZOVHJGJOIADIT-LBEKAKSKSA-N 1 2 454.423 4.777 20 0 JJADLO CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)[N@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC001459716251 1067393898 /nfs/dbraw/zinc/39/38/98/1067393898.db2.gz IHCSMPJLUMMBHE-OAHLLOKOSA-N 1 2 455.555 4.970 20 0 JJADLO CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC001459716251 1067393911 /nfs/dbraw/zinc/39/39/11/1067393911.db2.gz IHCSMPJLUMMBHE-OAHLLOKOSA-N 1 2 455.555 4.970 20 0 JJADLO O=C(C[NH+]1CCC(C(=O)Nc2cccc(F)c2)CC1)Nc1ccc(Cl)cc1C(F)(F)F ZINC001459717125 1067394267 /nfs/dbraw/zinc/39/42/67/1067394267.db2.gz VUINFODXDGSYLP-UHFFFAOYSA-N 1 2 457.855 4.787 20 0 JJADLO CC1CCC(NC(=O)CN2CC[NH+](Cc3cccc(Oc4ccc(Cl)cc4)c3)CC2)CC1 ZINC001459721052 1067395545 /nfs/dbraw/zinc/39/55/45/1067395545.db2.gz DWGSXTKQDOISFG-UHFFFAOYSA-N 1 2 456.030 4.945 20 0 JJADLO O=C(C[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1)Nc1ccc(N2CCCCC2)cc1 ZINC001459787874 1067422127 /nfs/dbraw/zinc/42/21/27/1067422127.db2.gz MVDWSXOHKQFZMB-INIZCTEOSA-N 1 2 452.546 4.970 20 0 JJADLO O=C(C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1)Nc1ccc(N2CCCCC2)cc1 ZINC001459787874 1067422129 /nfs/dbraw/zinc/42/21/29/1067422129.db2.gz MVDWSXOHKQFZMB-INIZCTEOSA-N 1 2 452.546 4.970 20 0 JJADLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1CC(=O)N(CC)[C@H](C)c1ccc(F)cc1 ZINC001459792851 1067425673 /nfs/dbraw/zinc/42/56/73/1067425673.db2.gz WDKWFECZMOBFBV-UNIVCBNLSA-N 1 2 454.634 4.671 20 0 JJADLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1CC(=O)N(CC)[C@H](C)c1ccc(F)cc1 ZINC001459792851 1067425674 /nfs/dbraw/zinc/42/56/74/1067425674.db2.gz WDKWFECZMOBFBV-UNIVCBNLSA-N 1 2 454.634 4.671 20 0 JJADLO C[C@H](NC(=O)[C@H](C)[NH+]1CCN(c2ccc(C(F)(F)F)cc2)CC1)c1ccc2c(c1)CCCC2 ZINC001459798029 1067428140 /nfs/dbraw/zinc/42/81/40/1067428140.db2.gz RWHOGYUKCUOBAZ-OALUTQOASA-N 1 2 459.556 4.972 20 0 JJADLO CCOc1ccc([C@H](C)NC(=O)C[NH2+][C@@H](c2cccc(Cl)c2)c2ccccn2)cc1OC ZINC001459798443 1067428643 /nfs/dbraw/zinc/42/86/43/1067428643.db2.gz RPOSUWCSXKTAGW-GKVSMKOHSA-N 1 2 453.970 4.699 20 0 JJADLO O=C(C[C@H]1CCC[N@@H+]1Cc1nc(Cc2cccc(Br)c2)no1)c1ccc(F)cc1 ZINC001459834922 1067445944 /nfs/dbraw/zinc/44/59/44/1067445944.db2.gz KFFAKZMTPDRYEI-LJQANCHMSA-N 1 2 458.331 4.799 20 0 JJADLO O=C(C[C@H]1CCC[N@H+]1Cc1nc(Cc2cccc(Br)c2)no1)c1ccc(F)cc1 ZINC001459834922 1067445947 /nfs/dbraw/zinc/44/59/47/1067445947.db2.gz KFFAKZMTPDRYEI-LJQANCHMSA-N 1 2 458.331 4.799 20 0 JJADLO Cc1ccc([C@@H](CN2CCOCC2)[NH2+]Cc2csc(COc3ccc(Cl)cc3)n2)cc1 ZINC001459861745 1067461892 /nfs/dbraw/zinc/46/18/92/1067461892.db2.gz JUORLYSDJJYCRA-HSZRJFAPSA-N 1 2 458.027 4.847 20 0 JJADLO COC(=O)C1([NH2+]C[C@@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CCCC1 ZINC001459890468 1067475338 /nfs/dbraw/zinc/47/53/38/1067475338.db2.gz CQCNPNSCPKONPA-HXUWFJFHSA-N 1 2 452.378 4.536 20 0 JJADLO C[C@H]([NH2+][C@@H](C)c1ncc(-c2ccccc2)o1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC001459900926 1067479638 /nfs/dbraw/zinc/47/96/38/1067479638.db2.gz ZDQZDMMQBMNMEJ-ROUUACIJSA-N 1 2 458.518 4.542 20 0 JJADLO O[C@@H](COc1cc(Cl)cc(Cl)c1)C[N@@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001459928381 1067495382 /nfs/dbraw/zinc/49/53/82/1067495382.db2.gz BPRSPMHNQLPMPN-MJGOQNOKSA-N 1 2 450.284 4.825 20 0 JJADLO O[C@@H](COc1cc(Cl)cc(Cl)c1)C[N@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001459928381 1067495387 /nfs/dbraw/zinc/49/53/87/1067495387.db2.gz BPRSPMHNQLPMPN-MJGOQNOKSA-N 1 2 450.284 4.825 20 0 JJADLO CC(C)Oc1ccc(CCNC(=O)C[NH+]2CCC(c3ccccc3Br)CC2)cc1 ZINC001459963453 1067509274 /nfs/dbraw/zinc/50/92/74/1067509274.db2.gz PABVKAJGCVBICK-UHFFFAOYSA-N 1 2 459.428 4.775 20 0 JJADLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](C)Cc1ccc(I)c(Cl)c1 ZINC001459983383 1067515133 /nfs/dbraw/zinc/51/51/33/1067515133.db2.gz CYXUHEJDWOHRPI-GOSISDBHSA-N 1 2 457.739 4.551 20 0 JJADLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(I)c(Cl)c1 ZINC001459983383 1067515141 /nfs/dbraw/zinc/51/51/41/1067515141.db2.gz CYXUHEJDWOHRPI-GOSISDBHSA-N 1 2 457.739 4.551 20 0 JJADLO Clc1cc(I)ccc1C[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC001460017008 1067529130 /nfs/dbraw/zinc/52/91/30/1067529130.db2.gz BAWPSLYNPLHAMV-UHFFFAOYSA-N 1 2 452.767 4.972 20 0 JJADLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)N[C@H](C)Cc2c(F)cccc2F)ccc1Br ZINC001460021862 1067531612 /nfs/dbraw/zinc/53/16/12/1067531612.db2.gz GLFSFZOHHLVXCZ-QVKFZJNVSA-N 1 2 451.355 4.920 20 0 JJADLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)N[C@H](C)Cc2c(F)cccc2F)ccc1Br ZINC001460021862 1067531620 /nfs/dbraw/zinc/53/16/20/1067531620.db2.gz GLFSFZOHHLVXCZ-QVKFZJNVSA-N 1 2 451.355 4.920 20 0 JJADLO O=C1c2ccccc2C(=O)N1CCC1=CC[N@H+](Cc2ccc(Cl)c(Br)c2)CC1 ZINC001460045821 1067537962 /nfs/dbraw/zinc/53/79/62/1067537962.db2.gz AOQXMSZQRAUSFE-UHFFFAOYSA-N 1 2 459.771 4.921 20 0 JJADLO O=C1c2ccccc2C(=O)N1CCC1=CC[N@@H+](Cc2ccc(Cl)c(Br)c2)CC1 ZINC001460045821 1067537967 /nfs/dbraw/zinc/53/79/67/1067537967.db2.gz AOQXMSZQRAUSFE-UHFFFAOYSA-N 1 2 459.771 4.921 20 0 JJADLO O=C1[C@H]([NH+]2CCC(O)(c3ccccc3C(F)(F)F)CC2)CCCN1c1ccccc1Cl ZINC001460059815 1067541965 /nfs/dbraw/zinc/54/19/65/1067541965.db2.gz NFRKDBDCMPIHCC-HXUWFJFHSA-N 1 2 452.904 4.838 20 0 JJADLO CCOC(=O)c1sc2[nH]c([C@@H](C)[N@@H+]3CCC[C@@H](c4ccc(CC)cc4)C3)nc(=O)c2c1C ZINC001460064500 1067543646 /nfs/dbraw/zinc/54/36/46/1067543646.db2.gz KCZKDLHTTGZQHN-VQIMIIECSA-N 1 2 453.608 4.973 20 0 JJADLO CCOC(=O)c1sc2[nH]c([C@@H](C)[N@H+]3CCC[C@@H](c4ccc(CC)cc4)C3)nc(=O)c2c1C ZINC001460064500 1067543651 /nfs/dbraw/zinc/54/36/51/1067543651.db2.gz KCZKDLHTTGZQHN-VQIMIIECSA-N 1 2 453.608 4.973 20 0 JJADLO CCN(CC)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ncc(-c2cccc(Br)c2)o1 ZINC001460068254 1067545335 /nfs/dbraw/zinc/54/53/35/1067545335.db2.gz KTDQSXGEJCGDCB-SFHVURJKSA-N 1 2 450.377 4.937 20 0 JJADLO CCN(CC)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1ncc(-c2cccc(Br)c2)o1 ZINC001460068254 1067545343 /nfs/dbraw/zinc/54/53/43/1067545343.db2.gz KTDQSXGEJCGDCB-SFHVURJKSA-N 1 2 450.377 4.937 20 0 JJADLO COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3COC(=O)NC3CCCCC3)cs2)c(OC)c1 ZINC001460072583 1067546388 /nfs/dbraw/zinc/54/63/88/1067546388.db2.gz SBTKHUCHXPJTRK-LJQANCHMSA-N 1 2 459.612 4.851 20 0 JJADLO COc1ccc(-c2nc(C[N@H+]3CCC[C@@H]3COC(=O)NC3CCCCC3)cs2)c(OC)c1 ZINC001460072583 1067546393 /nfs/dbraw/zinc/54/63/93/1067546393.db2.gz SBTKHUCHXPJTRK-LJQANCHMSA-N 1 2 459.612 4.851 20 0 JJADLO O=C(C[N@@H+]1CCCC[C@H]1COC(=O)N1CCCCC1)Nc1ccc(Oc2ccccc2)cc1 ZINC001460073237 1067546418 /nfs/dbraw/zinc/54/64/18/1067546418.db2.gz XFPBZNTVVCJRLO-QFIPXVFZSA-N 1 2 451.567 4.894 20 0 JJADLO O=C(C[N@H+]1CCCC[C@H]1COC(=O)N1CCCCC1)Nc1ccc(Oc2ccccc2)cc1 ZINC001460073237 1067546423 /nfs/dbraw/zinc/54/64/23/1067546423.db2.gz XFPBZNTVVCJRLO-QFIPXVFZSA-N 1 2 451.567 4.894 20 0 JJADLO FC(F)Oc1ccc(-n2nnnc2C[N@@H+](Cc2ccccc2C(F)(F)F)CC2CC2)cc1 ZINC001460097537 1067554447 /nfs/dbraw/zinc/55/44/47/1067554447.db2.gz FVIQKFZSBKYQQX-UHFFFAOYSA-N 1 2 453.415 4.695 20 0 JJADLO FC(F)Oc1ccc(-n2nnnc2C[N@H+](Cc2ccccc2C(F)(F)F)CC2CC2)cc1 ZINC001460097537 1067554455 /nfs/dbraw/zinc/55/44/55/1067554455.db2.gz FVIQKFZSBKYQQX-UHFFFAOYSA-N 1 2 453.415 4.695 20 0 JJADLO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C1CC[NH+](Cc2cc(Br)cc(F)c2F)CC1 ZINC001460114903 1067558422 /nfs/dbraw/zinc/55/84/22/1067558422.db2.gz RTSTYIYMGQUIOS-MJGOQNOKSA-N 1 2 475.374 4.622 20 0 JJADLO CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c3ccccn3)C1)C[C@@H](C)CC2 ZINC001460142272 1067563537 /nfs/dbraw/zinc/56/35/37/1067563537.db2.gz BCXBKZKMMOQOLG-BZSNNMDCSA-N 1 2 455.624 4.651 20 0 JJADLO CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](c3ccccn3)C1)C[C@@H](C)CC2 ZINC001460142272 1067563541 /nfs/dbraw/zinc/56/35/41/1067563541.db2.gz BCXBKZKMMOQOLG-BZSNNMDCSA-N 1 2 455.624 4.651 20 0 JJADLO CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c3ccccn3)C1)C[C@@H](C)CC2 ZINC001460142277 1067563580 /nfs/dbraw/zinc/56/35/80/1067563580.db2.gz BCXBKZKMMOQOLG-OKZBNKHCSA-N 1 2 455.624 4.651 20 0 JJADLO CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c3ccccn3)C1)C[C@@H](C)CC2 ZINC001460142277 1067563584 /nfs/dbraw/zinc/56/35/84/1067563584.db2.gz BCXBKZKMMOQOLG-OKZBNKHCSA-N 1 2 455.624 4.651 20 0 JJADLO CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)[N@@H+]1Cc3ccccc3OC(C)(C)C1)CCCC2 ZINC001460174847 1067570937 /nfs/dbraw/zinc/57/09/37/1067570937.db2.gz KGFJWJGOZDWYTC-INIZCTEOSA-N 1 2 456.608 4.804 20 0 JJADLO CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)[N@H+]1Cc3ccccc3OC(C)(C)C1)CCCC2 ZINC001460174847 1067570944 /nfs/dbraw/zinc/57/09/44/1067570944.db2.gz KGFJWJGOZDWYTC-INIZCTEOSA-N 1 2 456.608 4.804 20 0 JJADLO COc1ccc([C@H](C)[NH2+]Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)c(C)c1OC ZINC001460177637 1067571449 /nfs/dbraw/zinc/57/14/49/1067571449.db2.gz RRLCRVBIDIBNQM-LBPRGKRZSA-N 1 2 455.868 4.511 20 0 JJADLO CC(C)(C)OC(=O)N1CC[C@H](C2CC[NH+](CC(=O)Nc3ccc(Cl)cc3Cl)CC2)C1 ZINC001460200782 1067577837 /nfs/dbraw/zinc/57/78/37/1067577837.db2.gz WFQAAUGTYQKGOH-INIZCTEOSA-N 1 2 456.414 4.901 20 0 JJADLO Cc1ccc(-c2csc(NC(=O)C[N@H+]3CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C3)n2)cc1 ZINC001460209035 1067579745 /nfs/dbraw/zinc/57/97/45/1067579745.db2.gz YDRDMTRNTCEAEV-MJGOQNOKSA-N 1 2 458.628 4.540 20 0 JJADLO Cc1ccc(-c2csc(NC(=O)C[N@@H+]3CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C3)n2)cc1 ZINC001460209035 1067579751 /nfs/dbraw/zinc/57/97/51/1067579751.db2.gz YDRDMTRNTCEAEV-MJGOQNOKSA-N 1 2 458.628 4.540 20 0 JJADLO C[N@@H+](CC(=O)Nc1cccc(Oc2ccccc2)c1)C[C@@H](O)c1ccccc1Br ZINC001460244154 1067589863 /nfs/dbraw/zinc/58/98/63/1067589863.db2.gz FYEJLWKBTFEZES-JOCHJYFZSA-N 1 2 455.352 4.845 20 0 JJADLO C[N@H+](CC(=O)Nc1cccc(Oc2ccccc2)c1)C[C@@H](O)c1ccccc1Br ZINC001460244154 1067589866 /nfs/dbraw/zinc/58/98/66/1067589866.db2.gz FYEJLWKBTFEZES-JOCHJYFZSA-N 1 2 455.352 4.845 20 0 JJADLO Cn1c(C[N@H+]2C[C@@H](c3ccccc3F)[C@H](NC(=O)OC(C)(C)C)C2)nc2cc(Cl)ccc21 ZINC001460243791 1067590018 /nfs/dbraw/zinc/59/00/18/1067590018.db2.gz WJWCKNRTZRAVTA-FXAWDEMLSA-N 1 2 458.965 4.859 20 0 JJADLO Cn1c(C[N@@H+]2C[C@@H](c3ccccc3F)[C@H](NC(=O)OC(C)(C)C)C2)nc2cc(Cl)ccc21 ZINC001460243791 1067590028 /nfs/dbraw/zinc/59/00/28/1067590028.db2.gz WJWCKNRTZRAVTA-FXAWDEMLSA-N 1 2 458.965 4.859 20 0 JJADLO COC(=O)[C@@H]1C[N@H+](CC(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)C[C@H]1c1ccc(F)cc1F ZINC001460274303 1067595504 /nfs/dbraw/zinc/59/55/04/1067595504.db2.gz FMIFAVZVGFONNK-XJUOHMSHSA-N 1 2 476.539 4.586 20 0 JJADLO COC(=O)[C@@H]1C[N@@H+](CC(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)C[C@H]1c1ccc(F)cc1F ZINC001460274303 1067595505 /nfs/dbraw/zinc/59/55/05/1067595505.db2.gz FMIFAVZVGFONNK-XJUOHMSHSA-N 1 2 476.539 4.586 20 0 JJADLO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)C[C@H]1c1ccc(Cl)cc1 ZINC001460315401 1067605846 /nfs/dbraw/zinc/60/58/46/1067605846.db2.gz XUWMSOPDBKSWJC-VBNZEHGJSA-N 1 2 455.769 4.862 20 0 JJADLO COC(=O)[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)C[C@H]1c1ccc(Cl)cc1 ZINC001460315401 1067605848 /nfs/dbraw/zinc/60/58/48/1067605848.db2.gz XUWMSOPDBKSWJC-VBNZEHGJSA-N 1 2 455.769 4.862 20 0 JJADLO CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC001460332817 1067609906 /nfs/dbraw/zinc/60/99/06/1067609906.db2.gz KZBXLCMRXHJCNX-FQEVSTJZSA-N 1 2 454.926 4.915 20 0 JJADLO CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC001460332817 1067609909 /nfs/dbraw/zinc/60/99/09/1067609909.db2.gz KZBXLCMRXHJCNX-FQEVSTJZSA-N 1 2 454.926 4.915 20 0 JJADLO Cc1c(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001460343507 1067612754 /nfs/dbraw/zinc/61/27/54/1067612754.db2.gz LRZFQTXBSPOJHN-UHFFFAOYSA-N 1 2 459.859 4.969 20 0 JJADLO O=C(N[C@H]1C[N@@H+](CCOc2cccc3ccccc32)CC[C@H]1c1cccc(F)c1)C(F)(F)F ZINC001460364201 1067619069 /nfs/dbraw/zinc/61/90/69/1067619069.db2.gz MEKIYBWDRUHURZ-UNMCSNQZSA-N 1 2 460.471 4.894 20 0 JJADLO O=C(N[C@H]1C[N@H+](CCOc2cccc3ccccc32)CC[C@H]1c1cccc(F)c1)C(F)(F)F ZINC001460364201 1067619071 /nfs/dbraw/zinc/61/90/71/1067619071.db2.gz MEKIYBWDRUHURZ-UNMCSNQZSA-N 1 2 460.471 4.894 20 0 JJADLO CC(C)(C)OC(=O)N1CCC[C@H](C2CC[NH+](CC(=O)Nc3ccc(F)cc3Cl)CC2)C1 ZINC001460410441 1067629704 /nfs/dbraw/zinc/62/97/04/1067629704.db2.gz XAWAREHSFWCFLZ-KRWDZBQOSA-N 1 2 453.986 4.777 20 0 JJADLO COc1cccc2c1OCC(C(=O)N1CC[N@H+](Cc3ccc(Cl)cc3)C[C@@H]1CC(C)C)=C2 ZINC001460435565 1067634441 /nfs/dbraw/zinc/63/44/41/1067634441.db2.gz HJAQJZBBISUWLI-QHCPKHFHSA-N 1 2 454.998 4.884 20 0 JJADLO COc1cccc2c1OCC(C(=O)N1CC[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]1CC(C)C)=C2 ZINC001460435565 1067634443 /nfs/dbraw/zinc/63/44/43/1067634443.db2.gz HJAQJZBBISUWLI-QHCPKHFHSA-N 1 2 454.998 4.884 20 0 JJADLO COc1cccc2c1OCC(C(=O)N1CC[N@H+](Cc3ccc(Cl)cc3)C[C@H]1CC(C)C)=C2 ZINC001460435562 1067634455 /nfs/dbraw/zinc/63/44/55/1067634455.db2.gz HJAQJZBBISUWLI-HSZRJFAPSA-N 1 2 454.998 4.884 20 0 JJADLO COc1cccc2c1OCC(C(=O)N1CC[N@@H+](Cc3ccc(Cl)cc3)C[C@H]1CC(C)C)=C2 ZINC001460435562 1067634458 /nfs/dbraw/zinc/63/44/58/1067634458.db2.gz HJAQJZBBISUWLI-HSZRJFAPSA-N 1 2 454.998 4.884 20 0 JJADLO CC(C)C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)CCCNC(=O)c1ccccc1 ZINC001460437475 1067634775 /nfs/dbraw/zinc/63/47/75/1067634775.db2.gz PSYVPDDMONOOSI-XMMPIXPASA-N 1 2 456.030 4.609 20 0 JJADLO CC(C)C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)CCCNC(=O)c1ccccc1 ZINC001460437475 1067634778 /nfs/dbraw/zinc/63/47/78/1067634778.db2.gz PSYVPDDMONOOSI-XMMPIXPASA-N 1 2 456.030 4.609 20 0 JJADLO CCCNC(=O)c1cccc(C(=O)N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@H]2CC(C)C)c1 ZINC001460443345 1067635771 /nfs/dbraw/zinc/63/57/71/1067635771.db2.gz CMEZTKDATSZWTB-XMMPIXPASA-N 1 2 456.030 4.853 20 0 JJADLO CCCNC(=O)c1cccc(C(=O)N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@H]2CC(C)C)c1 ZINC001460443345 1067635775 /nfs/dbraw/zinc/63/57/75/1067635775.db2.gz CMEZTKDATSZWTB-XMMPIXPASA-N 1 2 456.030 4.853 20 0 JJADLO CC(C)C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1ccc(Br)nc1 ZINC001460457591 1067637517 /nfs/dbraw/zinc/63/75/17/1067637517.db2.gz PELGCXOUYOPXPQ-LJQANCHMSA-N 1 2 450.808 4.870 20 0 JJADLO CC(C)C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1ccc(Br)nc1 ZINC001460457591 1067637519 /nfs/dbraw/zinc/63/75/19/1067637519.db2.gz PELGCXOUYOPXPQ-LJQANCHMSA-N 1 2 450.808 4.870 20 0 JJADLO CN(CCCN1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1)C(=O)OC(C)(C)C ZINC001460606926 1067669728 /nfs/dbraw/zinc/66/97/28/1067669728.db2.gz VRXCYNVRMULUPW-UHFFFAOYSA-N 1 2 453.627 4.640 20 0 JJADLO OC[C@H]([NH2+]Cc1cc(Cl)ccc1I)c1cccc(C(F)(F)F)c1 ZINC001460625568 1067676780 /nfs/dbraw/zinc/67/67/80/1067676780.db2.gz CTSBVLYDWNMWNZ-HNNXBMFYSA-N 1 2 455.645 4.787 20 0 JJADLO CC(C)Cc1nnc(NC(=O)C[N@@H+]2CCC[C@]2(C)Cc2ccc(F)c(C(F)(F)F)c2)s1 ZINC001460643030 1067683058 /nfs/dbraw/zinc/68/30/58/1067683058.db2.gz FOELASIDHOIYJG-HXUWFJFHSA-N 1 2 458.525 4.930 20 0 JJADLO CC(C)Cc1nnc(NC(=O)C[N@H+]2CCC[C@]2(C)Cc2ccc(F)c(C(F)(F)F)c2)s1 ZINC001460643030 1067683061 /nfs/dbraw/zinc/68/30/61/1067683061.db2.gz FOELASIDHOIYJG-HXUWFJFHSA-N 1 2 458.525 4.930 20 0 JJADLO Cc1c(O)ccc2c(C[N@@H+]3CCOc4cc(NC(=O)OC(C)(C)C)ccc4C3)cc(=O)oc12 ZINC001460675600 1067697004 /nfs/dbraw/zinc/69/70/04/1067697004.db2.gz ODDQFMZGOFDAFI-UHFFFAOYSA-N 1 2 452.507 4.549 20 0 JJADLO Cc1c(O)ccc2c(C[N@H+]3CCOc4cc(NC(=O)OC(C)(C)C)ccc4C3)cc(=O)oc12 ZINC001460675600 1067697009 /nfs/dbraw/zinc/69/70/09/1067697009.db2.gz ODDQFMZGOFDAFI-UHFFFAOYSA-N 1 2 452.507 4.549 20 0 JJADLO CC(C)CCc1nc(C[N@H+](Cc2ccccc2)CC2(O)CN(C(=O)OC(C)(C)C)C2)cs1 ZINC001460713456 1067706825 /nfs/dbraw/zinc/70/68/25/1067706825.db2.gz OUNIMMPWYPVODE-UHFFFAOYSA-N 1 2 459.656 4.716 20 0 JJADLO CC(C)CCc1nc(C[N@@H+](Cc2ccccc2)CC2(O)CN(C(=O)OC(C)(C)C)C2)cs1 ZINC001460713456 1067706831 /nfs/dbraw/zinc/70/68/31/1067706831.db2.gz OUNIMMPWYPVODE-UHFFFAOYSA-N 1 2 459.656 4.716 20 0 JJADLO Cn1c[nH+]c(CCNC(=O)CCc2c3cc(Br)ccc3[nH]c2-c2ccccc2)c1 ZINC001460735112 1067712191 /nfs/dbraw/zinc/71/21/91/1067712191.db2.gz LMJLINYVFICCTF-UHFFFAOYSA-N 1 2 451.368 4.622 20 0 JJADLO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(Cc3nc(-c4ccc(F)cn4)no3)CC2)c(Cl)c1 ZINC001460749802 1067715611 /nfs/dbraw/zinc/71/56/11/1067715611.db2.gz OJEWQMJZINTXHC-OAHLLOKOSA-N 1 2 457.937 4.514 20 0 JJADLO O=C(C[N@@H+]1CC[C@H](c2c(F)cccc2F)C1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC001460754020 1067716976 /nfs/dbraw/zinc/71/69/76/1067716976.db2.gz CLCWONJAYDMNNE-INIZCTEOSA-N 1 2 453.464 4.784 20 0 JJADLO O=C(C[N@H+]1CC[C@H](c2c(F)cccc2F)C1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC001460754020 1067716981 /nfs/dbraw/zinc/71/69/81/1067716981.db2.gz CLCWONJAYDMNNE-INIZCTEOSA-N 1 2 453.464 4.784 20 0 JJADLO COC(=O)c1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3CN(C)C(=O)OC(C)(C)C)cs2)cc1 ZINC001460795269 1067725051 /nfs/dbraw/zinc/72/50/51/1067725051.db2.gz LCSXPWUDFMQIEW-FQEVSTJZSA-N 1 2 459.612 4.818 20 0 JJADLO COC(=O)c1ccc(-c2nc(C[N@H+]3CCCC[C@H]3CN(C)C(=O)OC(C)(C)C)cs2)cc1 ZINC001460795269 1067725059 /nfs/dbraw/zinc/72/50/59/1067725059.db2.gz LCSXPWUDFMQIEW-FQEVSTJZSA-N 1 2 459.612 4.818 20 0 JJADLO COc1ccc(C[N@@H+]2CCCC[C@H]2CN(C)C(=O)OC(C)(C)C)c(Br)c1OC ZINC001460796968 1067725436 /nfs/dbraw/zinc/72/54/36/1067725436.db2.gz QLQXMBKYSNRYNI-INIZCTEOSA-N 1 2 457.409 4.688 20 0 JJADLO COc1ccc(C[N@H+]2CCCC[C@H]2CN(C)C(=O)OC(C)(C)C)c(Br)c1OC ZINC001460796968 1067725441 /nfs/dbraw/zinc/72/54/41/1067725441.db2.gz QLQXMBKYSNRYNI-INIZCTEOSA-N 1 2 457.409 4.688 20 0 JJADLO CC(C)(C)OC(=O)Nc1cccc2c1CC[N@@H+]([C@@H]1CCN(c3ccc(F)c(Cl)c3)C1=O)C2 ZINC001460889611 1067743991 /nfs/dbraw/zinc/74/39/91/1067743991.db2.gz JYERAYVBWIRYAN-OAQYLSRUSA-N 1 2 459.949 4.990 20 0 JJADLO CC(C)(C)OC(=O)Nc1cccc2c1CC[N@H+]([C@@H]1CCN(c3ccc(F)c(Cl)c3)C1=O)C2 ZINC001460889611 1067743999 /nfs/dbraw/zinc/74/39/99/1067743999.db2.gz JYERAYVBWIRYAN-OAQYLSRUSA-N 1 2 459.949 4.990 20 0 JJADLO Cc1cc(CNC(=O)c2ccc(C)c(NC(=O)c3ccc(Br)cc3)c2)cc(C)[nH+]1 ZINC001461007674 1067761589 /nfs/dbraw/zinc/76/15/89/1067761589.db2.gz JWJGYTWLVYMIST-UHFFFAOYSA-N 1 2 452.352 4.952 20 0 JJADLO Brc1cccc(-c2nc(CNC[C@H]3C[N@H+](Cc4ccccc4)CCO3)cs2)c1 ZINC001461010562 1067762037 /nfs/dbraw/zinc/76/20/37/1067762037.db2.gz YWICUHDAYJOEPL-NRFANRHFSA-N 1 2 458.425 4.563 20 0 JJADLO Brc1cccc(-c2nc(CNC[C@H]3C[N@@H+](Cc4ccccc4)CCO3)cs2)c1 ZINC001461010562 1067762044 /nfs/dbraw/zinc/76/20/44/1067762044.db2.gz YWICUHDAYJOEPL-NRFANRHFSA-N 1 2 458.425 4.563 20 0 JJADLO CCCCOc1ccc(-c2csc(NC(=O)C3CC[NH+](Cc4nccn4C)CC3)n2)cc1 ZINC001461098009 1067781623 /nfs/dbraw/zinc/78/16/23/1067781623.db2.gz XUEFWKZBZLCCGM-UHFFFAOYSA-N 1 2 453.612 4.573 20 0 JJADLO COc1cccc(Oc2ncccc2C[NH2+]Cc2c(Br)cc(OC)cc2OC)c1 ZINC001461237212 1067806272 /nfs/dbraw/zinc/80/62/72/1067806272.db2.gz WXKYNJMFBLIFJY-UHFFFAOYSA-N 1 2 459.340 4.952 20 0 JJADLO COc1cccc(-c2csc(C[NH2+]Cc3ccc(S(C)(=O)=O)c(C(F)(F)F)c3)n2)c1 ZINC001461462240 1067862722 /nfs/dbraw/zinc/86/27/22/1067862722.db2.gz NRSSNAFAWNIDPT-UHFFFAOYSA-N 1 2 456.511 4.531 20 0 JJADLO CC(C)(C)OC(=O)N1CC[NH+](CCOc2ccccc2NC/C=C\c2ccc(F)cc2)CC1 ZINC001461559499 1067888032 /nfs/dbraw/zinc/88/80/32/1067888032.db2.gz MPHYRVHJULGHJS-SREVYHEPSA-N 1 2 455.574 4.883 20 0 JJADLO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2nc(-c3cccc(C(F)(F)F)c3)oc2C)cc1 ZINC001461676526 1067915995 /nfs/dbraw/zinc/91/59/95/1067915995.db2.gz FVLDLSQSTDJYKH-LJQANCHMSA-N 1 2 459.468 4.682 20 0 JJADLO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2nc(-c3cccc(C(F)(F)F)c3)oc2C)cc1 ZINC001461676526 1067916006 /nfs/dbraw/zinc/91/60/06/1067916006.db2.gz FVLDLSQSTDJYKH-LJQANCHMSA-N 1 2 459.468 4.682 20 0 JJADLO O=c1[nH]c(C[NH2+]Cc2cc(F)ccc2Oc2ccc(Cl)c(Cl)c2)nc2c1COCC2 ZINC001461704500 1067922342 /nfs/dbraw/zinc/92/23/42/1067922342.db2.gz NDZOJTFVBNMEMS-UHFFFAOYSA-N 1 2 450.297 4.783 20 0 JJADLO CC[N@H+](Cc1cn(-c2ccc(Br)cc2)nc1C)[C@@H]1CCN(c2ccccc2)C1=O ZINC001461851148 1067947164 /nfs/dbraw/zinc/94/71/64/1067947164.db2.gz FSKRAQHPKNNEHE-JOCHJYFZSA-N 1 2 453.384 4.571 20 0 JJADLO CC[N@@H+](Cc1cn(-c2ccc(Br)cc2)nc1C)[C@@H]1CCN(c2ccccc2)C1=O ZINC001461851148 1067947167 /nfs/dbraw/zinc/94/71/67/1067947167.db2.gz FSKRAQHPKNNEHE-JOCHJYFZSA-N 1 2 453.384 4.571 20 0 JJADLO COC(=O)[C@@H](c1cccc(Cl)c1)N1CC[NH+](Cc2cnc(-c3ccccc3F)s2)CC1 ZINC001461865117 1067950502 /nfs/dbraw/zinc/95/05/02/1067950502.db2.gz KGCPOGKNKITIAD-OAQYLSRUSA-N 1 2 459.974 4.635 20 0 JJADLO COc1ccc(-c2ccncc2)cc1C[NH+]1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC001461925964 1067962369 /nfs/dbraw/zinc/96/23/69/1067962369.db2.gz FSHPEISBILTORJ-UHFFFAOYSA-N 1 2 455.480 4.734 20 0 JJADLO COc1cccc(COc2ccc(C[NH+]3CCN(C(=O)c4cccc(Cl)c4)CC3)cc2)c1 ZINC001461953434 1067967818 /nfs/dbraw/zinc/96/78/18/1067967818.db2.gz FIFSFLJOLCXUKC-UHFFFAOYSA-N 1 2 450.966 4.886 20 0 JJADLO C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(Br)s2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001461985637 1067975438 /nfs/dbraw/zinc/97/54/38/1067975438.db2.gz FHRJRKOJVFBXQY-BETUJISGSA-N 1 2 455.422 4.730 20 0 JJADLO C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(Br)s2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001461985637 1067975446 /nfs/dbraw/zinc/97/54/46/1067975446.db2.gz FHRJRKOJVFBXQY-BETUJISGSA-N 1 2 455.422 4.730 20 0 JJADLO COC(=O)c1ccc(C[N@@H+]2CCC[C@H]2c2nc(Cc3ccc(Br)cc3)no2)cc1 ZINC001461987692 1067975971 /nfs/dbraw/zinc/97/59/71/1067975971.db2.gz QWYMSFJUMQMHLM-IBGZPJMESA-N 1 2 456.340 4.547 20 0 JJADLO COC(=O)c1ccc(C[N@H+]2CCC[C@H]2c2nc(Cc3ccc(Br)cc3)no2)cc1 ZINC001461987692 1067975979 /nfs/dbraw/zinc/97/59/79/1067975979.db2.gz QWYMSFJUMQMHLM-IBGZPJMESA-N 1 2 456.340 4.547 20 0 JJADLO Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CC[NH+](Cc2cccc3ncccc23)CC1 ZINC001462016993 1067981963 /nfs/dbraw/zinc/98/19/63/1067981963.db2.gz DZGWXAZOMFWNPL-UHFFFAOYSA-N 1 2 451.636 4.656 20 0 JJADLO COC(=O)c1ccc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1Br ZINC001462018173 1067982286 /nfs/dbraw/zinc/98/22/86/1067982286.db2.gz XRBDDAPHWDFDLO-UHFFFAOYSA-N 1 2 457.290 4.577 20 0 JJADLO C/C(=C/c1ccccc1OC(F)F)C[NH+]1CCN(Cc2nc(-c3ccc(C)cc3)no2)CC1 ZINC001462032972 1067985018 /nfs/dbraw/zinc/98/50/18/1067985018.db2.gz XAEVHMNGJMSCQT-CYVLTUHYSA-N 1 2 454.521 4.868 20 0 JJADLO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+]1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC001462053169 1067991328 /nfs/dbraw/zinc/99/13/28/1067991328.db2.gz UHJHWWVZKFWDNP-HXUWFJFHSA-N 1 2 452.368 4.690 20 0 JJADLO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+]1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC001462053169 1067991334 /nfs/dbraw/zinc/99/13/34/1067991334.db2.gz UHJHWWVZKFWDNP-HXUWFJFHSA-N 1 2 452.368 4.690 20 0 JJADLO COc1ccc2c(c1)nc(C[NH2+]Cc1cc(Br)c(C)cc1Br)n2C ZINC001462123707 1068010759 /nfs/dbraw/zinc/01/07/59/1068010759.db2.gz DGSICWSBPFXTPO-UHFFFAOYSA-N 1 2 453.178 4.705 20 0 JJADLO COC(=O)c1ccc(COc2ccccc2C[NH+]2CCN([C@@H](C)c3ccsc3)CC2)cc1 ZINC001462129817 1068012203 /nfs/dbraw/zinc/01/22/03/1068012203.db2.gz OVKIKRCTSRXCPA-FQEVSTJZSA-N 1 2 450.604 4.993 20 0 JJADLO CC(=O)N(c1nc(C[N@@H+]2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)cs1)c1ccccc1 ZINC001462151707 1068016409 /nfs/dbraw/zinc/01/64/09/1068016409.db2.gz RFKDLNMNEWFZHO-IBGZPJMESA-N 1 2 458.628 4.955 20 0 JJADLO CC(=O)N(c1nc(C[N@H+]2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)cs1)c1ccccc1 ZINC001462151707 1068016421 /nfs/dbraw/zinc/01/64/21/1068016421.db2.gz RFKDLNMNEWFZHO-IBGZPJMESA-N 1 2 458.628 4.955 20 0 JJADLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)c3cc4ccc(Br)cc4s3)C2)c1 ZINC001462234349 1068034683 /nfs/dbraw/zinc/03/46/83/1068034683.db2.gz NJALBFLGXSBLGJ-LJQANCHMSA-N 1 2 459.409 4.603 20 0 JJADLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)c3cc4ccc(Br)cc4s3)C2)c1 ZINC001462234349 1068034696 /nfs/dbraw/zinc/03/46/96/1068034696.db2.gz NJALBFLGXSBLGJ-LJQANCHMSA-N 1 2 459.409 4.603 20 0 JJADLO CC(C)(C)OC(=O)N1CC[C@@H](C2CC[NH+](Cc3nc(Cl)ccc3Br)CC2)C1 ZINC001462310197 1068048708 /nfs/dbraw/zinc/04/87/08/1068048708.db2.gz ANGWHSPXXYQWEN-OAHLLOKOSA-N 1 2 458.828 4.967 20 0 JJADLO Cc1cc(Br)cn2c(CN3[C@H](C)CN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]3C)c[nH+]c12 ZINC001462370678 1068061458 /nfs/dbraw/zinc/06/14/58/1068061458.db2.gz ACCDXIOTKXNMNJ-OWCLPIDISA-N 1 2 451.409 4.623 20 0 JJADLO Cc1cc(Br)cn2c(CN3CCc4ccc(F)c(Br)c4C3)c[nH+]c12 ZINC001462451070 1068077489 /nfs/dbraw/zinc/07/74/89/1068077489.db2.gz GOFBAPDDBRASKN-UHFFFAOYSA-N 1 2 453.153 4.865 20 0 JJADLO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC001462456042 1068078234 /nfs/dbraw/zinc/07/82/34/1068078234.db2.gz GGLLDPMOASGYQZ-GOSISDBHSA-N 1 2 454.317 4.944 20 0 JJADLO CCc1ccc(C[NH+]2CCN(C(=O)c3cc(C(F)(F)F)ccc3Br)CC2)cc1 ZINC001462467887 1068080548 /nfs/dbraw/zinc/08/05/48/1068080548.db2.gz HHHDAWJSQGRAMC-UHFFFAOYSA-N 1 2 455.318 4.988 20 0 JJADLO Cc1c(C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H](c2cccc(Cl)c2)C(F)F)cnn1C ZINC001462584335 1068104378 /nfs/dbraw/zinc/10/43/78/1068104378.db2.gz JUIQBJZTYSQFKV-HNAYVOBHSA-N 1 2 456.965 4.661 20 0 JJADLO Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001462590356 1068106522 /nfs/dbraw/zinc/10/65/22/1068106522.db2.gz LRSZOMRUMVVQKQ-VQTJNVASSA-N 1 2 452.521 4.767 20 0 JJADLO Cc1nn(-c2ccc(C)cc2)cc1C[N@H+]1CC[C@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001462590356 1068106529 /nfs/dbraw/zinc/10/65/29/1068106529.db2.gz LRSZOMRUMVVQKQ-VQTJNVASSA-N 1 2 452.521 4.767 20 0 JJADLO Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001462590334 1068106644 /nfs/dbraw/zinc/10/66/44/1068106644.db2.gz LRSZOMRUMVVQKQ-PMACEKPBSA-N 1 2 452.521 4.767 20 0 JJADLO Cc1nn(-c2ccc(C)cc2)cc1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001462590334 1068106654 /nfs/dbraw/zinc/10/66/54/1068106654.db2.gz LRSZOMRUMVVQKQ-PMACEKPBSA-N 1 2 452.521 4.767 20 0 JJADLO CC(=O)N(c1nc(C[N@@H+]2C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C2)cs1)c1ccc(F)cc1F ZINC001462623476 1068114938 /nfs/dbraw/zinc/11/49/38/1068114938.db2.gz MDCOTVDUACQVOR-GDBMZVCRSA-N 1 2 480.581 4.699 20 0 JJADLO CC(=O)N(c1nc(C[N@H+]2C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C2)cs1)c1ccc(F)cc1F ZINC001462623476 1068114946 /nfs/dbraw/zinc/11/49/46/1068114946.db2.gz MDCOTVDUACQVOR-GDBMZVCRSA-N 1 2 480.581 4.699 20 0 JJADLO CCOC(=O)C1(CC(F)F)CC[NH+](Cc2cc(OC(F)F)ccc2Br)CC1 ZINC001462655746 1068125672 /nfs/dbraw/zinc/12/56/72/1068125672.db2.gz SGRNCIQHQDKNNZ-UHFFFAOYSA-N 1 2 456.274 4.851 20 0 JJADLO CCOC(=O)c1ccc(-c2ccc(C[N@@H+]3CCO[C@H](c4ccc(OC)c(OC)c4)C3)o2)cc1 ZINC001462681904 1068130605 /nfs/dbraw/zinc/13/06/05/1068130605.db2.gz ZPSGZDFSKRQTHK-VWLOTQADSA-N 1 2 451.519 4.714 20 0 JJADLO CCOC(=O)c1ccc(-c2ccc(C[N@H+]3CCO[C@H](c4ccc(OC)c(OC)c4)C3)o2)cc1 ZINC001462681904 1068130612 /nfs/dbraw/zinc/13/06/12/1068130612.db2.gz ZPSGZDFSKRQTHK-VWLOTQADSA-N 1 2 451.519 4.714 20 0 JJADLO CCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cc(N(C)C)cc[nH+]3)c2)cc1 ZINC001546133168 1068131415 /nfs/dbraw/zinc/13/14/15/1068131415.db2.gz HJVOGFWSQBGSTB-UHFFFAOYSA-N 1 2 452.580 4.543 20 0 JJADLO CCc1cccc(CC)c1S(=O)(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC001462840507 1068186350 /nfs/dbraw/zinc/18/63/50/1068186350.db2.gz JKJVRWSEXYEDBK-QHCPKHFHSA-N 1 2 454.661 4.951 20 0 JJADLO CCc1cccc(CC)c1S(=O)(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC001462840507 1068186357 /nfs/dbraw/zinc/18/63/57/1068186357.db2.gz JKJVRWSEXYEDBK-QHCPKHFHSA-N 1 2 454.661 4.951 20 0 JJADLO O=S(=O)(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1cscc1C(F)F ZINC001463067250 1068274700 /nfs/dbraw/zinc/27/47/00/1068274700.db2.gz LZQGUYDQYYUKDG-UHFFFAOYSA-N 1 2 455.379 4.935 20 0 JJADLO CC[C@H](C(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1)[NH+](CC)CC ZINC001463562285 1068444389 /nfs/dbraw/zinc/44/43/89/1068444389.db2.gz RCBWGPLRGUYFFR-GOSISDBHSA-N 1 2 458.411 4.853 20 0 JJADLO Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001463607571 1068464027 /nfs/dbraw/zinc/46/40/27/1068464027.db2.gz BJJCHESHUHEWQF-UHFFFAOYSA-N 1 2 459.468 4.506 20 0 JJADLO Cc1ccccc1Oc1ccc(C(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)nc1 ZINC001463609771 1068465426 /nfs/dbraw/zinc/46/54/26/1068465426.db2.gz WJMLGGJZFXXGEE-UHFFFAOYSA-N 1 2 451.954 4.673 20 0 JJADLO COc1cc2ccc(C(=O)N3CC[NH+](Cc4ccc(C(F)(F)F)cc4)CC3)cc2cc1OC ZINC001463807002 1068531924 /nfs/dbraw/zinc/53/19/24/1068531924.db2.gz OWQPNYLFZBJDCL-UHFFFAOYSA-N 1 2 458.480 4.834 20 0 JJADLO Cc1sc(NC(=O)[C@@]2([NH+](C)C)COc3ccccc3C2)nc1-c1ccc(OC(F)F)cc1 ZINC001463947940 1068572354 /nfs/dbraw/zinc/57/23/54/1068572354.db2.gz QLVUMPHHQGNVGG-QHCPKHFHSA-N 1 2 459.518 4.594 20 0 JJADLO CCOc1ccccc1[C@H](CC(=O)Nc1ccccc1-n1cc[nH+]c1)NC(=O)OC(C)(C)C ZINC001464073800 1068605731 /nfs/dbraw/zinc/60/57/31/1068605731.db2.gz NGNHGCCKAHIIIC-FQEVSTJZSA-N 1 2 450.539 4.866 20 0 JJADLO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C2 ZINC001464127095 1068625450 /nfs/dbraw/zinc/62/54/50/1068625450.db2.gz BYPFQPJVRLZWBU-GIYDNNGJSA-N 1 2 465.997 4.520 20 0 JJADLO COc1cc(Br)cc(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1 ZINC001464129319 1068626524 /nfs/dbraw/zinc/62/65/24/1068626524.db2.gz IMCKDTDREAYYME-GOSISDBHSA-N 1 2 455.755 4.817 20 0 JJADLO CC(C)CC(=O)N[C@H](C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1ccccc1 ZINC001464130848 1068627269 /nfs/dbraw/zinc/62/72/69/1068627269.db2.gz YPDCCAQJYPPIOW-QPPBQGQZSA-N 1 2 459.993 4.636 20 0 JJADLO O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1nc(C(F)(F)F)n2ccccc12 ZINC001464134030 1068628648 /nfs/dbraw/zinc/62/86/48/1068628648.db2.gz YUTVGVXMSRFZIF-MRXNPFEDSA-N 1 2 454.855 4.713 20 0 JJADLO C[C@@H](NC(=O)c1ccccc1C[NH+]1CCOCC1)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC001464162237 1068638316 /nfs/dbraw/zinc/63/83/16/1068638316.db2.gz WJOYINCDIRUKDJ-HXUWFJFHSA-N 1 2 458.562 4.654 20 0 JJADLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N[C@H](C)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1 ZINC001464163813 1068639751 /nfs/dbraw/zinc/63/97/51/1068639751.db2.gz CPAKFVYHFLPDDX-CLOONOSVSA-N 1 2 458.562 4.791 20 0 JJADLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)N[C@H](C)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1 ZINC001464163813 1068639754 /nfs/dbraw/zinc/63/97/54/1068639754.db2.gz CPAKFVYHFLPDDX-CLOONOSVSA-N 1 2 458.562 4.791 20 0 JJADLO Cc1csc(Sc2ccc(NC(=O)[C@H](C)[NH+]3CCN(c4ccc(F)cc4)CC3)cc2)n1 ZINC001464319853 1068704259 /nfs/dbraw/zinc/70/42/59/1068704259.db2.gz JPHYTGXKOWLWCO-KRWDZBQOSA-N 1 2 456.612 4.891 20 0 JJADLO COc1ccc(C(=O)CC(C)(C)CC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)cc1 ZINC001464327825 1068707276 /nfs/dbraw/zinc/70/72/76/1068707276.db2.gz LWWANHWVHPQTJI-UHFFFAOYSA-N 1 2 458.549 4.743 20 0 JJADLO O=S(=O)(N[C@H](Cn1cc[nH+]c1)c1ccccc1)c1ccc2ccccc2c1Br ZINC001464355809 1068717707 /nfs/dbraw/zinc/71/77/07/1068717707.db2.gz BDJYWTKIWWDSOS-LJQANCHMSA-N 1 2 456.365 4.519 20 0 JJADLO Cc1cc(I)cc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1C ZINC001464372978 1068721605 /nfs/dbraw/zinc/72/16/05/1068721605.db2.gz APDKJFVAFWGPDH-UHFFFAOYSA-N 1 2 455.365 4.603 20 0 JJADLO Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001464498948 1068766810 /nfs/dbraw/zinc/76/68/10/1068766810.db2.gz VESHTAWRMYQDBN-UHFFFAOYSA-N 1 2 456.468 4.980 20 0 JJADLO O=C(C[C@H](O)c1cccc(F)c1)N1CC[NH+]([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC001464711251 1068834888 /nfs/dbraw/zinc/83/48/88/1068834888.db2.gz AGAYHMMMEAZWKA-AHWVRZQESA-N 1 2 452.957 4.836 20 0 JJADLO FC(F)(c1cc(Cl)nc(Cl)c1)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164419854 718889661 /nfs/dbraw/zinc/88/96/61/718889661.db2.gz RTSHVDPMYGJUHR-GFCCVEGCSA-N 1 2 478.124 4.921 20 0 JJADLO FC(F)(c1cnc(Cl)cc1Cl)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164419167 718889884 /nfs/dbraw/zinc/88/98/84/718889884.db2.gz QFYRIGOMCFAAGC-CYBMUJFWSA-N 1 2 478.124 4.921 20 0 JJADLO FC(F)(c1cnc(Cl)cc1Cl)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164419169 718890000 /nfs/dbraw/zinc/89/00/00/718890000.db2.gz QFYRIGOMCFAAGC-ZDUSSCGKSA-N 1 2 478.124 4.921 20 0 JJADLO FC(F)(c1ccc2nc(Cl)cnc2c1)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164419850 718890048 /nfs/dbraw/zinc/89/00/48/718890048.db2.gz RTIVCOVZHGCLCI-INIZCTEOSA-N 1 2 494.727 4.816 20 0 JJADLO FC(F)(c1ccc2cnc(Cl)nc2c1)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164417482 718890470 /nfs/dbraw/zinc/89/04/70/718890470.db2.gz KTQTZAZMPMXPED-INIZCTEOSA-N 1 2 494.727 4.816 20 0 JJADLO CCOC(=O)c1cnc(Cl)cc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@H+]2CC ZINC001164663854 719345498 /nfs/dbraw/zinc/34/54/98/719345498.db2.gz NUJVIDGOAFVJEJ-UHFFFAOYSA-N 1 2 480.012 4.606 20 0 JJADLO CCOC(=O)c1cnc(Cl)cc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@@H+]2CC ZINC001164663854 719345500 /nfs/dbraw/zinc/34/55/00/719345500.db2.gz NUJVIDGOAFVJEJ-UHFFFAOYSA-N 1 2 480.012 4.606 20 0 JJADLO CCOC(=O)c1c(Cl)cc(C)nc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@H+]2CC ZINC001164663924 719346368 /nfs/dbraw/zinc/34/63/68/719346368.db2.gz PEXXYICSISOPMP-UHFFFAOYSA-N 1 2 494.039 4.915 20 0 JJADLO CCOC(=O)c1c(Cl)cc(C)nc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@@H+]2CC ZINC001164663924 719346369 /nfs/dbraw/zinc/34/63/69/719346369.db2.gz PEXXYICSISOPMP-UHFFFAOYSA-N 1 2 494.039 4.915 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3ccc(Cl)cc31)CC2 ZINC001164664098 719347827 /nfs/dbraw/zinc/34/78/27/719347827.db2.gz RAGOAWGFMQASIV-UHFFFAOYSA-N 1 2 458.997 4.978 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3ccc(Cl)cc31)CC2 ZINC001164664098 719347829 /nfs/dbraw/zinc/34/78/29/719347829.db2.gz RAGOAWGFMQASIV-UHFFFAOYSA-N 1 2 458.997 4.978 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3c(OC)cccc31)CC2 ZINC001164663749 719349488 /nfs/dbraw/zinc/34/94/88/719349488.db2.gz KZMDBNLQVDZWOW-UHFFFAOYSA-N 1 2 489.023 4.987 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3c(OC)cccc31)CC2 ZINC001164663749 719349492 /nfs/dbraw/zinc/34/94/92/719349492.db2.gz KZMDBNLQVDZWOW-UHFFFAOYSA-N 1 2 489.023 4.987 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc(-c3ccc(F)cc3)n1)CC2 ZINC001164663926 719349661 /nfs/dbraw/zinc/34/96/61/719349661.db2.gz PGNQYYOOOGYAQX-UHFFFAOYSA-N 1 2 468.580 4.977 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc(-c3ccc(F)cc3)n1)CC2 ZINC001164663926 719349665 /nfs/dbraw/zinc/34/96/65/719349665.db2.gz PGNQYYOOOGYAQX-UHFFFAOYSA-N 1 2 468.580 4.977 20 0 JJADLO CCOc1ccc(Cl)nc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@H+]2CC ZINC001164657922 719350966 /nfs/dbraw/zinc/35/09/66/719350966.db2.gz ACXYSJUJGYCEJA-UHFFFAOYSA-N 1 2 452.002 4.828 20 0 JJADLO CCOc1ccc(Cl)nc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@@H+]2CC ZINC001164657922 719350969 /nfs/dbraw/zinc/35/09/69/719350969.db2.gz ACXYSJUJGYCEJA-UHFFFAOYSA-N 1 2 452.002 4.828 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(C(=O)N3CCC(C)CC3)cn1)CC2 ZINC001164658023 719353859 /nfs/dbraw/zinc/35/38/59/719353859.db2.gz BCVJRVNRJVLVHX-UHFFFAOYSA-N 1 2 498.675 4.648 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(C(=O)N3CCC(C)CC3)cn1)CC2 ZINC001164658023 719353860 /nfs/dbraw/zinc/35/38/60/719353860.db2.gz BCVJRVNRJVLVHX-UHFFFAOYSA-N 1 2 498.675 4.648 20 0 JJADLO CCc1nc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@H+]3CC)c(Cl)nc1C ZINC001164664882 719356234 /nfs/dbraw/zinc/35/62/34/719356234.db2.gz RLKOUYNBWHJSRS-UHFFFAOYSA-N 1 2 451.018 4.696 20 0 JJADLO CCc1nc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@@H+]3CC)c(Cl)nc1C ZINC001164664882 719356237 /nfs/dbraw/zinc/35/62/37/719356237.db2.gz RLKOUYNBWHJSRS-UHFFFAOYSA-N 1 2 451.018 4.696 20 0 JJADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2cc4nc(Cl)cnc4cc2Cl)CC3)cc1 ZINC001164671199 719503788 /nfs/dbraw/zinc/50/37/88/719503788.db2.gz CTJRIHFHVRHEAD-UHFFFAOYSA-N 1 2 461.368 4.947 20 0 JJADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2cc4nc(Cl)cnc4cc2Cl)CC3)cc1 ZINC001164671199 719503797 /nfs/dbraw/zinc/50/37/97/719503797.db2.gz CTJRIHFHVRHEAD-UHFFFAOYSA-N 1 2 461.368 4.947 20 0 JJADLO COc1ccccc1Oc1nc(Cl)ncc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164679367 719532493 /nfs/dbraw/zinc/53/24/93/719532493.db2.gz YSWAZPBSKASIDW-UHFFFAOYSA-N 1 2 498.986 4.941 20 0 JJADLO COc1ccccc1Oc1nc(Cl)ncc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164679367 719532504 /nfs/dbraw/zinc/53/25/04/719532504.db2.gz YSWAZPBSKASIDW-UHFFFAOYSA-N 1 2 498.986 4.941 20 0 JJADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN(C(F)(F)c3ccnc(Cl)c3Cl)CC2)cc1 ZINC001164698765 719829896 /nfs/dbraw/zinc/82/98/96/719829896.db2.gz UKLNHNIXPXBOJK-UHFFFAOYSA-N 1 2 492.357 4.838 20 0 JJADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN(C(F)(F)c3cc(Cl)nc(Cl)c3)CC2)cc1 ZINC001164695932 719830206 /nfs/dbraw/zinc/83/02/06/719830206.db2.gz GSQDVBXVHSJSBF-UHFFFAOYSA-N 1 2 492.357 4.838 20 0 JJADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)Oc1ccc(-c2ccnc(Cl)c2)cc1 ZINC001164724579 720315362 /nfs/dbraw/zinc/31/53/62/720315362.db2.gz REUDJRMHHQJIRC-OAQYLSRUSA-N 1 2 489.954 4.844 20 0 JJADLO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2Cc3cncn3C[C@H](COCC3CC3)C2)n1 ZINC001164758518 720983310 /nfs/dbraw/zinc/98/33/10/720983310.db2.gz VSEOSLLWTZGNNS-HXUWFJFHSA-N 1 2 488.661 4.679 20 0 JJADLO Fc1ccc(-c2cc(C(F)(F)N3Cc4c[nH+]cn4C[C@@H](COCC4CC4)C3)c(Cl)nn2)cc1 ZINC001164757825 720985686 /nfs/dbraw/zinc/98/56/86/720985686.db2.gz QZZQXEXENKETPH-MRXNPFEDSA-N 1 2 477.918 4.741 20 0 JJADLO Fc1cccc(-c2cc(C(F)(F)N3Cc4c[nH+]cn4C[C@@H](COCC4CC4)C3)c(Cl)nn2)c1 ZINC001164756478 720985912 /nfs/dbraw/zinc/98/59/12/720985912.db2.gz JCXHYMIQHQBBPP-MRXNPFEDSA-N 1 2 477.918 4.741 20 0 JJADLO O=C(c1cccnc1N1CCC[C@]2(C[C@@H](c3ccccc3)CO2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164774196 721059851 /nfs/dbraw/zinc/05/98/51/721059851.db2.gz VIROEAHYJNKLBY-JOMNFKBKSA-N 1 2 496.655 4.583 20 0 JJADLO FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164876041 721219983 /nfs/dbraw/zinc/21/99/83/721219983.db2.gz ZRFBCTLVESSZFQ-UHFFFAOYSA-N 1 2 471.939 4.613 20 0 JJADLO Cc1cccc(-c2cc(C(F)(F)N3CCC4(CC3)CN(c3cccc[nH+]3)CCO4)c(Cl)nn2)c1 ZINC001164872031 721222815 /nfs/dbraw/zinc/22/28/15/721222815.db2.gz MNZRSDUCXJRWDE-UHFFFAOYSA-N 1 2 485.966 4.921 20 0 JJADLO FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164766332 721275118 /nfs/dbraw/zinc/27/51/18/721275118.db2.gz DLPVIRONPYUVOB-QGZVFWFLSA-N 1 2 482.922 4.649 20 0 JJADLO FC(F)(c1cccc2c(Cl)nccc21)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164770042 721275263 /nfs/dbraw/zinc/27/52/63/721275263.db2.gz SVTUYJXJYODGHJ-MRXNPFEDSA-N 1 2 455.896 4.740 20 0 JJADLO FC(F)(c1cc2ccccc2nc1Cl)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164767182 721275609 /nfs/dbraw/zinc/27/56/09/721275609.db2.gz HMQBPWMTIMPLGE-MRXNPFEDSA-N 1 2 455.896 4.740 20 0 JJADLO Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)c(Cl)nn2)c1 ZINC001164783180 721438856 /nfs/dbraw/zinc/43/88/56/721438856.db2.gz NETQJXFTKKEJNY-CALCHBBNSA-N 1 2 461.969 4.675 20 0 JJADLO Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)c(Cl)nn2)c1 ZINC001164783180 721438859 /nfs/dbraw/zinc/43/88/59/721438859.db2.gz NETQJXFTKKEJNY-CALCHBBNSA-N 1 2 461.969 4.675 20 0 JJADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cnc(Cl)c(-c3ccccc3F)c1)C2 ZINC001165010053 721717876 /nfs/dbraw/zinc/71/78/76/721717876.db2.gz FFTNGZHHJRKDQB-UHFFFAOYSA-N 1 2 478.950 4.928 20 0 JJADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cnc(Cl)c(-c3ccccc3F)c1)C2 ZINC001165010053 721717881 /nfs/dbraw/zinc/71/78/81/721717881.db2.gz FFTNGZHHJRKDQB-UHFFFAOYSA-N 1 2 478.950 4.928 20 0 JJADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)Oc2ccccc2-c2cccc(Cl)n2)CC1 ZINC001164919911 721821058 /nfs/dbraw/zinc/82/10/58/721821058.db2.gz XVUAIJRCDUTVCK-UHFFFAOYSA-N 1 2 473.955 4.773 20 0 JJADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)Oc2ccccc2-c2cccc(Cl)n2)CC1 ZINC001164919911 721821062 /nfs/dbraw/zinc/82/10/62/721821062.db2.gz XVUAIJRCDUTVCK-UHFFFAOYSA-N 1 2 473.955 4.773 20 0 JJADLO FC(F)(F)c1cccc(-c2cc(C(F)(F)N3CC[NH+](C[C@H]4CCCO4)CC3)c(Cl)nn2)c1 ZINC001165042642 721926253 /nfs/dbraw/zinc/92/62/53/721926253.db2.gz FLEASVQHTHFJAU-MRXNPFEDSA-N 1 2 476.877 4.662 20 0 JJADLO FC(F)(F)c1ccccc1-c1cc(C(F)(F)N2CC[NH+](C[C@H]3CCCO3)CC2)c(Cl)nn1 ZINC001165043652 721926365 /nfs/dbraw/zinc/92/63/65/721926365.db2.gz ORMNSLUVFCVCIN-CQSZACIVSA-N 1 2 476.877 4.662 20 0 JJADLO CC(C)[C@@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCNc2cccc[nH+]2)C1 ZINC001359732910 1064288379 /nfs/dbraw/zinc/28/83/79/1064288379.db2.gz NNVDWXWSTIFHSO-MQSCRBSSSA-N 1 2 454.663 4.966 20 0 JJADLO CC(C)[C@H]1CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001359737807 1064300284 /nfs/dbraw/zinc/30/02/84/1064300284.db2.gz GVKRVIVRMGZNHY-RUZDIDTESA-N 1 2 496.744 4.805 20 0 JJADLO CC(C)[C@H]1CCCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001359737807 1064300303 /nfs/dbraw/zinc/30/03/03/1064300303.db2.gz GVKRVIVRMGZNHY-RUZDIDTESA-N 1 2 496.744 4.805 20 0 JJADLO O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)[C@@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001434887309 1064319077 /nfs/dbraw/zinc/31/90/77/1064319077.db2.gz SWQVHMDUICTEPJ-WWNPGLIZSA-N 1 2 457.412 4.870 20 0 JJADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1cc(Br)ncc1Br ZINC001434919303 1064346643 /nfs/dbraw/zinc/34/66/43/1064346643.db2.gz KFYLDIIJDSFVMF-UHFFFAOYSA-N 1 2 456.525 4.698 20 0 JJADLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1cc(Br)nc(Br)c1 ZINC001434920008 1064347217 /nfs/dbraw/zinc/34/72/17/1064347217.db2.gz MOOMKSOFPHSWDF-UHFFFAOYSA-N 1 2 456.525 4.698 20 0 JJADLO C[C@@H](C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1ccc(I)cc1 ZINC001434920872 1064348796 /nfs/dbraw/zinc/34/87/96/1064348796.db2.gz PMBZOLUWXMPGGZ-GFCCVEGCSA-N 1 2 451.695 4.873 20 0 JJADLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)CCOc1cc(Cl)ccc1Cl ZINC001435012343 1064428138 /nfs/dbraw/zinc/42/81/38/1064428138.db2.gz KZNOVYAWJSBRJM-SFHVURJKSA-N 1 2 451.394 4.512 20 0 JJADLO CC(C)Cc1nnc(N2CCC(C(F)(F)F)CC2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001359798170 1064461370 /nfs/dbraw/zinc/46/13/70/1064461370.db2.gz FXNUIOZHUCMJJN-UHFFFAOYSA-N 1 2 450.553 4.689 20 0 JJADLO C/C(=C/c1ccc(Br)o1)C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC001435051560 1064469950 /nfs/dbraw/zinc/46/99/50/1064469950.db2.gz HAHVFCVSSFFSBW-SQFISAMPSA-N 1 2 454.328 4.721 20 0 JJADLO C[C@@H](C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1)c1ccc(Br)s1 ZINC001435051582 1064470020 /nfs/dbraw/zinc/47/00/20/1064470020.db2.gz HBGOOODLMOLEOS-CQSZACIVSA-N 1 2 458.385 4.889 20 0 JJADLO COC(=O)c1ccc(CCC(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC001435073363 1064495611 /nfs/dbraw/zinc/49/56/11/1064495611.db2.gz DSZIFGBVVLSRME-UHFFFAOYSA-N 1 2 453.542 4.634 20 0 JJADLO CC(C)Cc1nnc(N2CC[NH+](CCOc3ccccc3Cl)CC2)n1C[C@H]1CC[C@H](C)C1 ZINC001359859787 1064548701 /nfs/dbraw/zinc/54/87/01/1064548701.db2.gz IMVYJNUCXMDXCD-SFTDATJTSA-N 1 2 460.066 4.767 20 0 JJADLO CC(C)Cc1nnc(N2CC[NH+](CCOc3ccccc3Cl)CC2)n1C[C@H]1CC[C@@H](C)C1 ZINC001359859785 1064548985 /nfs/dbraw/zinc/54/89/85/1064548985.db2.gz IMVYJNUCXMDXCD-RTWAWAEBSA-N 1 2 460.066 4.767 20 0 JJADLO CC(C)Cc1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1CCC[C@@H]1CCCCO1 ZINC001359861588 1064552688 /nfs/dbraw/zinc/55/26/88/1064552688.db2.gz ZVXWLVDSSBVXHN-QHCPKHFHSA-N 1 2 460.066 4.802 20 0 JJADLO CC(C)C[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001359878179 1064568739 /nfs/dbraw/zinc/56/87/39/1064568739.db2.gz HDXBXIFHDOPJOW-ACRUOGEOSA-N 1 2 476.065 4.665 20 0 JJADLO CC(C)C[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001359878179 1064568752 /nfs/dbraw/zinc/56/87/52/1064568752.db2.gz HDXBXIFHDOPJOW-ACRUOGEOSA-N 1 2 476.065 4.665 20 0 JJADLO CC(C)(C)OC(=O)NCC[N@H+](CC(=O)N1CCCCC[C@@H]1c1ccco1)Cc1ccccc1 ZINC001435202949 1064589795 /nfs/dbraw/zinc/58/97/95/1064589795.db2.gz UOLHAVRYASONAX-JOCHJYFZSA-N 1 2 455.599 4.750 20 0 JJADLO CC(C)(C)OC(=O)NCC[N@@H+](CC(=O)N1CCCCC[C@@H]1c1ccco1)Cc1ccccc1 ZINC001435202949 1064589807 /nfs/dbraw/zinc/58/98/07/1064589807.db2.gz UOLHAVRYASONAX-JOCHJYFZSA-N 1 2 455.599 4.750 20 0 JJADLO CCN(C(=O)C[C@H]1CCC[C@@H](C(F)(F)F)O1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001435239198 1064618920 /nfs/dbraw/zinc/61/89/20/1064618920.db2.gz HBEZEDXALDPAMD-MOPGFXCFSA-N 1 2 456.553 4.616 20 0 JJADLO CCN(C(=O)c1ccc(OC2CC2)cc1OC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001435241229 1064620429 /nfs/dbraw/zinc/62/04/29/1064620429.db2.gz XKXLOBMEQUEFHX-UHFFFAOYSA-N 1 2 452.599 4.589 20 0 JJADLO CO[C@H](CNC(=O)[C@@H](c1cccc(Br)c1)[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC001435287343 1064664071 /nfs/dbraw/zinc/66/40/71/1064664071.db2.gz KEZPDEFRTQGEIW-WOJBJXKFSA-N 1 2 451.792 4.743 20 0 JJADLO Cc1cccc(C(=O)Nc2ccccc2C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)c1 ZINC001435291822 1064668259 /nfs/dbraw/zinc/66/82/59/1064668259.db2.gz SIBWXKVZTYLSQL-UHFFFAOYSA-N 1 2 456.590 4.712 20 0 JJADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cc(-c2cc(OC)ccc2Cl)no1 ZINC001435296030 1064672853 /nfs/dbraw/zinc/67/28/53/1064672853.db2.gz FFXILSYEUQBCIX-UHFFFAOYSA-N 1 2 454.958 4.777 20 0 JJADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1nc(COC)sc1-c1ccccc1 ZINC001435298355 1064674366 /nfs/dbraw/zinc/67/43/66/1064674366.db2.gz VFUKZIZYNMCHDI-UHFFFAOYSA-N 1 2 450.608 4.730 20 0 JJADLO CC(C)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001359943725 1064689168 /nfs/dbraw/zinc/68/91/68/1064689168.db2.gz GPKWKSACKKCZTK-UHFFFAOYSA-N 1 2 455.006 4.580 20 0 JJADLO CC(C)CCOc1ccc(-c2nnc(N(C)CC(F)(F)F)n2Cc2ccc(N(C)C)[nH+]c2)cc1 ZINC001359950636 1064705945 /nfs/dbraw/zinc/70/59/45/1064705945.db2.gz LTNSCSNOCUYRHY-UHFFFAOYSA-N 1 2 476.547 4.878 20 0 JJADLO CC(C)CN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1ccc(N(C)C)[nH+]c1)C(C)C ZINC001359983605 1064760969 /nfs/dbraw/zinc/76/09/69/1064760969.db2.gz UCJPCFIKLRWTKJ-IBGZPJMESA-N 1 2 454.594 4.937 20 0 JJADLO CC(C)CN(c1nnc(COc2ccccc2F)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1)C(C)C ZINC001359993381 1064777246 /nfs/dbraw/zinc/77/72/46/1064777246.db2.gz UCERBSMUSZFUCB-NRFANRHFSA-N 1 2 496.631 4.535 20 0 JJADLO C[C@H](c1cccc(NC(=O)[C@H]2CCCCCC[C@@H]2NC(=O)OC(C)(C)C)c1)[NH+]1CCOCC1 ZINC001359996805 1064782083 /nfs/dbraw/zinc/78/20/83/1064782083.db2.gz CYGGCVQIQNQOAG-OIBXWCBGSA-N 1 2 459.631 4.882 20 0 JJADLO C[C@H](c1cccc(NC(=O)[C@H]2CCCCCC[C@H]2NC(=O)OC(C)(C)C)c1)[NH+]1CCOCC1 ZINC001359996808 1064782428 /nfs/dbraw/zinc/78/24/28/1064782428.db2.gz CYGGCVQIQNQOAG-WTIAFYNJSA-N 1 2 459.631 4.882 20 0 JJADLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C)c(Br)s1 ZINC001435626929 1064888724 /nfs/dbraw/zinc/88/87/24/1064888724.db2.gz VWMNQSIPJLPTNP-RDTXWAMCSA-N 1 2 450.446 4.895 20 0 JJADLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C)c(Br)s1 ZINC001435626929 1064888735 /nfs/dbraw/zinc/88/87/35/1064888735.db2.gz VWMNQSIPJLPTNP-RDTXWAMCSA-N 1 2 450.446 4.895 20 0 JJADLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C)c(Br)s1 ZINC001435626924 1064888909 /nfs/dbraw/zinc/88/89/09/1064888909.db2.gz VWMNQSIPJLPTNP-KDOFPFPSSA-N 1 2 450.446 4.895 20 0 JJADLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C)c(Br)s1 ZINC001435626924 1064888926 /nfs/dbraw/zinc/88/89/26/1064888926.db2.gz VWMNQSIPJLPTNP-KDOFPFPSSA-N 1 2 450.446 4.895 20 0 JJADLO COCC1(C(=O)N2CC[NH+](CCOC(c3ccccc3)c3ccccc3)CC2)CCCCC1 ZINC001435632586 1064893419 /nfs/dbraw/zinc/89/34/19/1064893419.db2.gz POAAQSVDPLNOLE-UHFFFAOYSA-N 1 2 450.623 4.534 20 0 JJADLO Cc1noc(C)c1COc1ccc(CC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1 ZINC001435636909 1064898023 /nfs/dbraw/zinc/89/80/23/1064898023.db2.gz WURUKBMMJXSOSJ-SANMLTNESA-N 1 2 458.562 4.784 20 0 JJADLO Cc1noc(C)c1COc1ccc(CC(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1 ZINC001435636908 1064898285 /nfs/dbraw/zinc/89/82/85/1064898285.db2.gz WURUKBMMJXSOSJ-AREMUKBSSA-N 1 2 458.562 4.784 20 0 JJADLO CC(C)CO[C@@H]1CCN(c2nnc(CC(C)C)n2Cc2ccc(N3CCCCCC3)[nH+]c2)C1 ZINC001360063577 1064904196 /nfs/dbraw/zinc/90/41/96/1064904196.db2.gz QTIQAWWDHOTBMH-HSZRJFAPSA-N 1 2 454.663 4.552 20 0 JJADLO CS(C)(=O)=Nc1ccc(C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC001360071640 1064917586 /nfs/dbraw/zinc/91/75/86/1064917586.db2.gz CXCJHZBSNJRQOX-UHFFFAOYSA-N 1 2 458.587 4.888 20 0 JJADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)[C@@H]2CC[C@H]2c2ccc(Cl)cc2F)c2ccc(Cl)cc2)C1 ZINC001435744751 1064969020 /nfs/dbraw/zinc/96/90/20/1064969020.db2.gz CLSWTVWNGOQOJR-OZROYSPXSA-N 1 2 451.369 4.814 20 0 JJADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)[C@@H]2CC[C@H]2c2ccc(Cl)cc2F)c2ccc(Cl)cc2)C1 ZINC001435744751 1064969036 /nfs/dbraw/zinc/96/90/36/1064969036.db2.gz CLSWTVWNGOQOJR-OZROYSPXSA-N 1 2 451.369 4.814 20 0 JJADLO C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC001435745644 1064969692 /nfs/dbraw/zinc/96/96/92/1064969692.db2.gz FGICDSKFAJXYSE-LPTQZCDUSA-N 1 2 454.920 4.726 20 0 JJADLO C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC001435745644 1064969702 /nfs/dbraw/zinc/96/97/02/1064969702.db2.gz FGICDSKFAJXYSE-LPTQZCDUSA-N 1 2 454.920 4.726 20 0 JJADLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)c2cc(Br)ccc2Cl)c2ccc(Cl)cc2)C1 ZINC001435745649 1064970684 /nfs/dbraw/zinc/97/06/84/1064970684.db2.gz FLDSVYJREREPRC-ROUUACIJSA-N 1 2 458.183 4.558 20 0 JJADLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)c2cc(Br)ccc2Cl)c2ccc(Cl)cc2)C1 ZINC001435745649 1064970700 /nfs/dbraw/zinc/97/07/00/1064970700.db2.gz FLDSVYJREREPRC-ROUUACIJSA-N 1 2 458.183 4.558 20 0 JJADLO Cc1sc(Br)c(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)c1C ZINC001435748799 1064972349 /nfs/dbraw/zinc/97/23/49/1064972349.db2.gz NCDANKVQACLTPS-DOTOQJQBSA-N 1 2 457.821 4.583 20 0 JJADLO Cc1sc(Br)c(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)c1C ZINC001435748799 1064972365 /nfs/dbraw/zinc/97/23/65/1064972365.db2.gz NCDANKVQACLTPS-DOTOQJQBSA-N 1 2 457.821 4.583 20 0 JJADLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)CCCCc2nc3ccccc3s2)c2ccc(Cl)cc2)C1 ZINC001435749589 1064973175 /nfs/dbraw/zinc/97/31/75/1064973175.db2.gz OTXRLUYYPUMPCQ-RDPSFJRHSA-N 1 2 458.027 4.851 20 0 JJADLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)CCCCc2nc3ccccc3s2)c2ccc(Cl)cc2)C1 ZINC001435749589 1064973190 /nfs/dbraw/zinc/97/31/90/1064973190.db2.gz OTXRLUYYPUMPCQ-RDPSFJRHSA-N 1 2 458.027 4.851 20 0 JJADLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)CCCCc2nc3ccccc3s2)c2ccc(Cl)cc2)C1 ZINC001435749587 1064973290 /nfs/dbraw/zinc/97/32/90/1064973290.db2.gz OTXRLUYYPUMPCQ-HYBUGGRVSA-N 1 2 458.027 4.851 20 0 JJADLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)CCCCc2nc3ccccc3s2)c2ccc(Cl)cc2)C1 ZINC001435749587 1064973302 /nfs/dbraw/zinc/97/33/02/1064973302.db2.gz OTXRLUYYPUMPCQ-HYBUGGRVSA-N 1 2 458.027 4.851 20 0 JJADLO Cc1cc(Br)cn2cc(CCNC(=O)[C@H](C)Oc3cccc4ccccc43)[nH+]c12 ZINC001435847170 1065021194 /nfs/dbraw/zinc/02/11/94/1065021194.db2.gz BNULHYRGYQINJB-INIZCTEOSA-N 1 2 452.352 4.685 20 0 JJADLO Cc1cc(Br)cn2cc(CCNC(=O)[C@@H](C)Oc3cccc4ccccc43)[nH+]c12 ZINC001435847171 1065021390 /nfs/dbraw/zinc/02/13/90/1065021390.db2.gz BNULHYRGYQINJB-MRXNPFEDSA-N 1 2 452.352 4.685 20 0 JJADLO C[NH+]1CCN(c2ccc(NC(=O)c3cc(Cl)cc4cccnc43)cc2Br)CC1 ZINC001435916191 1065061937 /nfs/dbraw/zinc/06/19/37/1065061937.db2.gz OXBIPTWRXUCSNH-UHFFFAOYSA-N 1 2 459.775 4.655 20 0 JJADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cc(NC(=O)C(C)C)ccc2Cl)[C@@H](C)C1 ZINC001436020838 1065118087 /nfs/dbraw/zinc/11/80/87/1065118087.db2.gz TUWXXMDKDJOOTD-SFHVURJKSA-N 1 2 458.002 4.680 20 0 JJADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cc(NC(=O)C(C)C)ccc2Cl)[C@@H](C)C1 ZINC001436020838 1065118096 /nfs/dbraw/zinc/11/80/96/1065118096.db2.gz TUWXXMDKDJOOTD-SFHVURJKSA-N 1 2 458.002 4.680 20 0 JJADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cc(NC(=O)C(C)C)ccc2Cl)[C@H](C)C1 ZINC001436020837 1065118258 /nfs/dbraw/zinc/11/82/58/1065118258.db2.gz TUWXXMDKDJOOTD-GOSISDBHSA-N 1 2 458.002 4.680 20 0 JJADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cc(NC(=O)C(C)C)ccc2Cl)[C@H](C)C1 ZINC001436020837 1065118266 /nfs/dbraw/zinc/11/82/66/1065118266.db2.gz TUWXXMDKDJOOTD-GOSISDBHSA-N 1 2 458.002 4.680 20 0 JJADLO CN(C)C(=O)Sc1cc(NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)ccc1Cl ZINC001436183478 1065235788 /nfs/dbraw/zinc/23/57/88/1065235788.db2.gz ZWJRQLANCRQUSZ-IBGZPJMESA-N 1 2 450.029 4.842 20 0 JJADLO C[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2nnc(-c3cnccn3)n2CCCC(C)(C)C)CC1 ZINC001360437057 1065317387 /nfs/dbraw/zinc/31/73/87/1065317387.db2.gz BNZRLJABWYMYOP-SFHVURJKSA-N 1 2 469.584 4.723 20 0 JJADLO C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(CC(C)(C)C)n1CCCNc1cccc[nH+]1 ZINC001360442535 1065328162 /nfs/dbraw/zinc/32/81/62/1065328162.db2.gz OXUXNQNWNGMGKT-DUTUXMCTSA-N 1 2 468.671 4.699 20 0 JJADLO CC(C)C[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1ccnc(N2CC[C@@H](C)C2)c1 ZINC001436519069 1065340047 /nfs/dbraw/zinc/34/00/47/1065340047.db2.gz AFHMUOXVFLZVKD-YKSBVNFPSA-N 1 2 455.046 4.954 20 0 JJADLO CC(C)C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1ccnc(N2CC[C@@H](C)C2)c1 ZINC001436519069 1065340063 /nfs/dbraw/zinc/34/00/63/1065340063.db2.gz AFHMUOXVFLZVKD-YKSBVNFPSA-N 1 2 455.046 4.954 20 0 JJADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1cc(COc2ccc(Cl)cc2Cl)on1 ZINC001436594846 1065389425 /nfs/dbraw/zinc/38/94/25/1065389425.db2.gz ATOCNZTUOSFEEF-UHFFFAOYSA-N 1 2 457.317 4.735 20 0 JJADLO C=Cc1ccc(C(=O)Nc2ccccc2OCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001436607840 1065396756 /nfs/dbraw/zinc/39/67/56/1065396756.db2.gz FHIWZDCQOCAVIJ-UHFFFAOYSA-N 1 2 451.567 4.513 20 0 JJADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)CN(Cc1ccco1)c1cccc(Cl)c1 ZINC001360516719 1065477555 /nfs/dbraw/zinc/47/75/55/1065477555.db2.gz TXSMGXBWONYHHE-UHFFFAOYSA-N 1 2 453.970 4.719 20 0 JJADLO CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001437176777 1065516739 /nfs/dbraw/zinc/51/67/39/1065516739.db2.gz AWVZNPKSUQXXRY-SOUVJXGZSA-N 1 2 454.398 4.999 20 0 JJADLO CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001437176777 1065516751 /nfs/dbraw/zinc/51/67/51/1065516751.db2.gz AWVZNPKSUQXXRY-SOUVJXGZSA-N 1 2 454.398 4.999 20 0 JJADLO CC(C)(C)c1coc(NC(=O)c2cccnc2N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1 ZINC001437260439 1065526721 /nfs/dbraw/zinc/52/67/21/1065526721.db2.gz AIEZCPOTXUWEPO-UHFFFAOYSA-N 1 2 453.974 4.595 20 0 JJADLO C[C@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCCC(C)(C)C1)[NH+]1CCOCC1 ZINC001360584372 1065584332 /nfs/dbraw/zinc/58/43/32/1065584332.db2.gz WIENNAYEQUACSG-OAQYLSRUSA-N 1 2 469.674 4.502 20 0 JJADLO C[C@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCCC(C)(C)C1)[NH+]1CCOCC1 ZINC001360584742 1065585030 /nfs/dbraw/zinc/58/50/30/1065585030.db2.gz ZJXREOQPZPMXOR-QGZVFWFLSA-N 1 2 482.456 4.511 20 0 JJADLO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(-c3ccccc3)n2CCCNc2cccc[nH+]2)C1 ZINC001360638957 1065705793 /nfs/dbraw/zinc/70/57/93/1065705793.db2.gz LPGAKNFTSAZLBL-RBBKRZOGSA-N 1 2 491.640 4.582 20 0 JJADLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1cccc(Sc2cccc(Br)c2)n1 ZINC001438576453 1065733417 /nfs/dbraw/zinc/73/34/17/1065733417.db2.gz RJAKILFGZNXDJK-FQEVSTJZSA-N 1 2 454.393 4.912 20 0 JJADLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1cccc(Sc2cccc(Br)c2)n1 ZINC001438576453 1065733428 /nfs/dbraw/zinc/73/34/28/1065733428.db2.gz RJAKILFGZNXDJK-FQEVSTJZSA-N 1 2 454.393 4.912 20 0 JJADLO C[C@H](NC(=O)[C@@H](c1cccc(Br)c1)[NH+]1CCCC1)c1ccc(C(F)(F)F)nc1 ZINC001439036466 1065779458 /nfs/dbraw/zinc/77/94/58/1065779458.db2.gz COQSJOOUMXSPGI-SCLBCKFNSA-N 1 2 456.306 4.877 20 0 JJADLO O=C(CSc1ccccc1Br)NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC001439112032 1065788552 /nfs/dbraw/zinc/78/85/52/1065788552.db2.gz UBQDPRVYFCYEHL-UHFFFAOYSA-N 1 2 456.409 4.759 20 0 JJADLO C[C@@H](Oc1ccccc1F)c1nnc(N(C)CC2CCCCC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001360764879 1065846167 /nfs/dbraw/zinc/84/61/67/1065846167.db2.gz GXRLMTIHOSOIML-HXUWFJFHSA-N 1 2 473.637 4.685 20 0 JJADLO C[C@@H](Oc1ccccc1F)c1nnc(N(C)CC2CCCCC2)n1CC[N@H+]1CCOCC1(C)C ZINC001360764879 1065846186 /nfs/dbraw/zinc/84/61/86/1065846186.db2.gz GXRLMTIHOSOIML-HXUWFJFHSA-N 1 2 473.637 4.685 20 0 JJADLO C[C@@H](Oc1ccccc1F)c1nnc(N(C)CCOC(C)(C)C)n1CCc1cn2ccccc2[nH+]1 ZINC001360767836 1065857317 /nfs/dbraw/zinc/85/73/17/1065857317.db2.gz UOLVLNDTPASLMU-LJQANCHMSA-N 1 2 480.588 4.699 20 0 JJADLO C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(OC(C)(C)C)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001360775020 1065876026 /nfs/dbraw/zinc/87/60/26/1065876026.db2.gz QLTGFJYOSYBVSJ-LJQANCHMSA-N 1 2 496.631 4.850 20 0 JJADLO CCCOc1ccc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)c(OC2CCCC2)c1 ZINC001440483023 1065942874 /nfs/dbraw/zinc/94/28/74/1065942874.db2.gz PRJNFDUISIIPMS-UHFFFAOYSA-N 1 2 452.595 4.634 20 0 JJADLO C[C@]1(Br)C[C@@H]1C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC001440648618 1065958396 /nfs/dbraw/zinc/95/83/96/1065958396.db2.gz CTOCCIHYXFILBO-UZLBHIALSA-N 1 2 453.833 4.886 20 0 JJADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)c2ccc3cc(Br)ccc3c2)CC1 ZINC001440649662 1065958460 /nfs/dbraw/zinc/95/84/60/1065958460.db2.gz FSAOBVFRZCKDNX-UHFFFAOYSA-N 1 2 453.380 4.877 20 0 JJADLO COC(=O)c1cc(C)c(C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4Cl)s3)CC2)o1 ZINC001440650544 1065958555 /nfs/dbraw/zinc/95/85/55/1065958555.db2.gz IVWHSLJFGDIKNY-UHFFFAOYSA-N 1 2 458.967 4.715 20 0 JJADLO Cc1cc(N2CCN(C(=O)/C=C/c3ccccc3OCc3ccccc3)CC2)nc(C(C)C)[nH+]1 ZINC001440687113 1065966860 /nfs/dbraw/zinc/96/68/60/1065966860.db2.gz NMXPGOONZFGZAK-BUHFOSPRSA-N 1 2 456.590 4.849 20 0 JJADLO C[C@@H](C(=O)N1CC[NH+](Cc2ccc(-c3cccc(Br)c3)s2)CC1)n1cccc1 ZINC001441034945 1066002764 /nfs/dbraw/zinc/00/27/64/1066002764.db2.gz CTHXYTPXLXWLSP-KRWDZBQOSA-N 1 2 458.425 4.885 20 0 JJADLO Cc1cccc(O[C@H](C)c2nnc(N3C[C@H](C)C[C@@H](C)C3)n2CC(C)(C)[NH+]2CCOCC2)c1C ZINC001360870984 1066004283 /nfs/dbraw/zinc/00/42/83/1066004283.db2.gz RWUOZYGUYAQQHM-TXTKFYIRSA-N 1 2 469.674 4.628 20 0 JJADLO C[C@@H](OCc1ccncc1)C(=O)N1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC001441114658 1066008267 /nfs/dbraw/zinc/00/82/67/1066008267.db2.gz CTCHDYHSPRQRRC-GOSISDBHSA-N 1 2 456.011 4.713 20 0 JJADLO Cc1cccc(O[C@H](C)c2nnc(N3CCC(OC(C)(C)C)CC3)n2CC[N@@H+]2CCOC[C@H]2C)c1C ZINC001360874510 1066013905 /nfs/dbraw/zinc/01/39/05/1066013905.db2.gz QEMKCNBLIYIHKX-FYYLOGMGSA-N 1 2 499.700 4.540 20 0 JJADLO Cc1cccc(O[C@H](C)c2nnc(N3CCC(OC(C)(C)C)CC3)n2CC[N@H+]2CCOC[C@H]2C)c1C ZINC001360874510 1066013916 /nfs/dbraw/zinc/01/39/16/1066013916.db2.gz QEMKCNBLIYIHKX-FYYLOGMGSA-N 1 2 499.700 4.540 20 0 JJADLO Cc1cccc(O[C@H](C)c2nnc(N3CCC(OC(C)(C)C)CC3)n2CC[N@@H+]2CCOC[C@@H]2C)c1C ZINC001360874513 1066014063 /nfs/dbraw/zinc/01/40/63/1066014063.db2.gz QEMKCNBLIYIHKX-JTHBVZDNSA-N 1 2 499.700 4.540 20 0 JJADLO Cc1cccc(O[C@H](C)c2nnc(N3CCC(OC(C)(C)C)CC3)n2CC[N@H+]2CCOC[C@@H]2C)c1C ZINC001360874513 1066014076 /nfs/dbraw/zinc/01/40/76/1066014076.db2.gz QEMKCNBLIYIHKX-JTHBVZDNSA-N 1 2 499.700 4.540 20 0 JJADLO CCN(Cc1cccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccncc2)c1)C(=O)OC(C)(C)C ZINC001441192212 1066014108 /nfs/dbraw/zinc/01/41/08/1066014108.db2.gz XKWXGZKEUHKVQF-HSZRJFAPSA-N 1 2 452.599 4.832 20 0 JJADLO CCN(Cc1cccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccncc2)c1)C(=O)OC(C)(C)C ZINC001441192212 1066014118 /nfs/dbraw/zinc/01/41/18/1066014118.db2.gz XKWXGZKEUHKVQF-HSZRJFAPSA-N 1 2 452.599 4.832 20 0 JJADLO Cc1cccc(O[C@@H](C)c2nnc(N3CCCCCCC3)n2CC(C)(C)[NH+]2CCOCC2)c1C ZINC001360875837 1066020134 /nfs/dbraw/zinc/02/01/34/1066020134.db2.gz ZOCAAKYJNWBXSJ-QHCPKHFHSA-N 1 2 469.674 4.916 20 0 JJADLO C[C@@H](c1ccccc1F)[C@H](O)C(=O)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC001441246082 1066020350 /nfs/dbraw/zinc/02/03/50/1066020350.db2.gz HTMGHNVRMUFXOK-XDHUDOTRSA-N 1 2 456.558 4.502 20 0 JJADLO Cc1c2cc(Br)ccc2oc1C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC001360880961 1066033467 /nfs/dbraw/zinc/03/34/67/1066033467.db2.gz LTCBWJUARQKQNW-UHFFFAOYSA-N 1 2 456.384 4.969 20 0 JJADLO CC1=C(C)CN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001360882837 1066036170 /nfs/dbraw/zinc/03/61/70/1066036170.db2.gz ARBKQWGZJKYHLF-IBGZPJMESA-N 1 2 450.562 4.613 20 0 JJADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cccc(N(C)C(=O)OC(C)(C)C)c1 ZINC001360905757 1066060335 /nfs/dbraw/zinc/06/03/35/1066060335.db2.gz AQJYJVXUWDHPKY-UHFFFAOYSA-N 1 2 452.599 4.832 20 0 JJADLO Cc1c(CN(C)c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCNc2cccc[nH+]2)cnn1C ZINC001360934964 1066094060 /nfs/dbraw/zinc/09/40/60/1066094060.db2.gz RXWMFHJNFPAQGR-UHFFFAOYSA-N 1 2 472.641 4.818 20 0 JJADLO Cc1[nH]c(-c2cccc(NC(=O)c3cc(I)c(F)cc3F)c2)[nH+]c1C ZINC001442237446 1066106578 /nfs/dbraw/zinc/10/65/78/1066106578.db2.gz WUCPCQXKPKCKDA-UHFFFAOYSA-N 1 2 453.230 4.829 20 0 JJADLO CCCCCCN(CC[NH+]1CCOCC1)C(=O)Cc1c(C)cc(C)c(Br)c1C ZINC001442410714 1066125814 /nfs/dbraw/zinc/12/58/14/1066125814.db2.gz JUZYXQKRHVFPSO-UHFFFAOYSA-N 1 2 453.465 4.658 20 0 JJADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(Sc2ccccc2)c(Cl)c1 ZINC001442718688 1066155343 /nfs/dbraw/zinc/15/53/43/1066155343.db2.gz PBENSJRVEPNOEQ-HXUWFJFHSA-N 1 2 456.999 4.926 20 0 JJADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(Sc2ccccc2)c(Cl)c1 ZINC001442718688 1066155344 /nfs/dbraw/zinc/15/53/44/1066155344.db2.gz PBENSJRVEPNOEQ-HXUWFJFHSA-N 1 2 456.999 4.926 20 0 JJADLO Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N(C)CCC(C)C)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001360990845 1066169297 /nfs/dbraw/zinc/16/92/97/1066169297.db2.gz ZYTCPVZYWVRJAZ-RTWAWAEBSA-N 1 2 478.081 4.891 20 0 JJADLO Cc1cc(C)cc(OCc2nnc(N(C)CCC(F)(F)F)n2CCc2cn3ccccc3[nH+]2)c1 ZINC001361022714 1066219113 /nfs/dbraw/zinc/21/91/13/1066219113.db2.gz ZWHUXWRAYHSCCJ-UHFFFAOYSA-N 1 2 472.515 4.753 20 0 JJADLO CC(C)[C@H](NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1)c1cccc(C(F)(F)F)c1 ZINC001442937065 1066243673 /nfs/dbraw/zinc/24/36/73/1066243673.db2.gz VKBKFPBXVPOTLW-VGSWGCGISA-N 1 2 451.508 4.869 20 0 JJADLO Cc1cc(C)cc(OCc2nnc(N3CCS[C@@H](C)C3)n2CCCc2cccc(C)[nH+]2)c1 ZINC001361039150 1066259780 /nfs/dbraw/zinc/25/97/80/1066259780.db2.gz YPLJUMXTFDHHMD-NRFANRHFSA-N 1 2 451.640 4.752 20 0 JJADLO Cc1nc(NCc2cccc(C(=O)Nc3ccc4c(c3)CCN4C(=O)OC(C)(C)C)c2)cc[nH+]1 ZINC001443054341 1066259929 /nfs/dbraw/zinc/25/99/29/1066259929.db2.gz XLJSKLHMDLRWEC-UHFFFAOYSA-N 1 2 459.550 4.947 20 0 JJADLO COc1cc(C(=O)NCCn2c[nH+]cc2-c2ccccc2)cc(OC)c1OCc1ccccc1 ZINC001454313618 1066268642 /nfs/dbraw/zinc/26/86/42/1066268642.db2.gz PDHSTJBTJHEMCE-UHFFFAOYSA-N 1 2 457.530 4.576 20 0 JJADLO CCC[NH+]1CCN(C(=O)c2cc3c(C)nn(Cc4c(Cl)cccc4Cl)c3s2)CC1 ZINC001443216589 1066281644 /nfs/dbraw/zinc/28/16/44/1066281644.db2.gz NHBJQLVTYQICJT-UHFFFAOYSA-N 1 2 451.423 4.929 20 0 JJADLO O=C(CCSc1ccccc1Br)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC001454470218 1066287995 /nfs/dbraw/zinc/28/79/95/1066287995.db2.gz VSLWNPCHVJLBIO-UHFFFAOYSA-N 1 2 458.425 4.757 20 0 JJADLO C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)Sc1ccc(Br)cc1 ZINC001443531700 1066323993 /nfs/dbraw/zinc/32/39/93/1066323993.db2.gz NTARGJPXZNBORG-YWZLYKJASA-N 1 2 451.405 4.850 20 0 JJADLO C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)Sc1ccc(Br)cc1 ZINC001443531700 1066324008 /nfs/dbraw/zinc/32/40/08/1066324008.db2.gz NTARGJPXZNBORG-YWZLYKJASA-N 1 2 451.405 4.850 20 0 JJADLO CCOc1ccc(Br)cc1CN(C(=O)Cc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC001443621700 1066338726 /nfs/dbraw/zinc/33/87/26/1066338726.db2.gz VFBNGTKWGHYTFR-UHFFFAOYSA-N 1 2 454.368 4.767 20 0 JJADLO O=C(c1noc(-c2ccc(F)cc2)n1)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC001443630474 1066340067 /nfs/dbraw/zinc/34/00/67/1066340067.db2.gz HWTPZJAHBMXPIQ-UHFFFAOYSA-N 1 2 457.868 4.597 20 0 JJADLO O=C(c1cccc(N2CCCC2=O)c1)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC001443633400 1066341264 /nfs/dbraw/zinc/34/12/64/1066341264.db2.gz NRSQDLVMXUUUMT-UHFFFAOYSA-N 1 2 454.933 4.535 20 0 JJADLO Cc1ccccc1C1=NO[C@H](C(=O)N(CCCn2cc[nH+]c2)Cc2c(F)cccc2Cl)C1 ZINC001443637866 1066342244 /nfs/dbraw/zinc/34/22/44/1066342244.db2.gz ZQAQOUOAOBPUMV-QHCPKHFHSA-N 1 2 454.933 4.596 20 0 JJADLO Cc1cc(N2CCN(c3nnc(Cc4ccccn4)n3CCCC(C)(C)C)CC2)nc(C(C)C)[nH+]1 ZINC001361105343 1066354188 /nfs/dbraw/zinc/35/41/88/1066354188.db2.gz GRFODWRKRJQIIJ-UHFFFAOYSA-N 1 2 476.673 4.639 20 0 JJADLO Cc1cc(N2CCN(c3nnc(CC(C)C)n3C[C@H]3CCCC3(C)C)CC2)nc(C(C)C)[nH+]1 ZINC001361105706 1066354938 /nfs/dbraw/zinc/35/49/38/1066354938.db2.gz TYDXHARSDNXJGP-OAQYLSRUSA-N 1 2 453.679 4.851 20 0 JJADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3c(C)cc(Br)cc3Cl)CC2)c1 ZINC001443738511 1066361335 /nfs/dbraw/zinc/36/13/35/1066361335.db2.gz XQTCTLCCLPFNHC-HNNXBMFYSA-N 1 2 451.792 4.939 20 0 JJADLO O=C(Cc1ccc(OCCOc2ccccc2)cc1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC001443757609 1066362482 /nfs/dbraw/zinc/36/24/82/1066362482.db2.gz HVPDHFVJGLUXFF-YFHOEESVSA-N 1 2 456.586 4.545 20 0 JJADLO Cc1ccc(C(C)C)c(OCc2nnc(N(C)CC3CCOCC3)n2Cc2ccc(N(C)C)[nH+]c2)c1 ZINC001361123679 1066374410 /nfs/dbraw/zinc/37/44/10/1066374410.db2.gz JKHCVNRAVSLFGZ-UHFFFAOYSA-N 1 2 492.668 4.661 20 0 JJADLO Cc1[nH]c(-c2ccc(NC(=O)c3ccc(Cn4cc(Br)cn4)cc3)cc2)[nH+]c1C ZINC001455249321 1066374547 /nfs/dbraw/zinc/37/45/47/1066374547.db2.gz VDFHOLMNCSIRFK-UHFFFAOYSA-N 1 2 450.340 4.953 20 0 JJADLO Cc1[nH]c(-c2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3OC(F)F)cc2)[nH+]c1C ZINC001455248245 1066374902 /nfs/dbraw/zinc/37/49/02/1066374902.db2.gz OUCHZDYXGSFFPX-IBGZPJMESA-N 1 2 454.477 4.538 20 0 JJADLO Cc1occc1CN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H](C)[NH+]1CCOCC1 ZINC001361124192 1066377740 /nfs/dbraw/zinc/37/77/40/1066377740.db2.gz ZNXXWEXPZNEWJG-NRFANRHFSA-N 1 2 481.641 4.547 20 0 JJADLO O=C(N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)c1ccc(OCc2ccncc2)cc1 ZINC001443879080 1066380261 /nfs/dbraw/zinc/38/02/61/1066380261.db2.gz HZPZSTMFKJYJBB-JOCHJYFZSA-N 1 2 453.945 4.848 20 0 JJADLO O=C(N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)c1ccc(OCc2ccncc2)cc1 ZINC001443879080 1066380273 /nfs/dbraw/zinc/38/02/73/1066380273.db2.gz HZPZSTMFKJYJBB-JOCHJYFZSA-N 1 2 453.945 4.848 20 0 JJADLO Cc1ccc(C(C)C)c(OCc2nnc(N3CCCC(C)(C)C3)n2C[C@@H](C)[NH+]2CCOCC2)c1 ZINC001361127736 1066389463 /nfs/dbraw/zinc/38/94/63/1066389463.db2.gz OJOTYWJJDSXZBS-JOCHJYFZSA-N 1 2 469.674 4.636 20 0 JJADLO O=C(CCc1cc(C(F)(F)F)ccc1Br)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC001455445454 1066391393 /nfs/dbraw/zinc/39/13/93/1066391393.db2.gz YSJJWYRRVAMIFJ-SFHVURJKSA-N 1 2 459.281 4.713 20 0 JJADLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2cccc3[nH]c(=O)n(CC(C)(C)C)c32)CC1 ZINC001455451363 1066391918 /nfs/dbraw/zinc/39/19/18/1066391918.db2.gz ALPIJXSIYNVYBQ-JOCHJYFZSA-N 1 2 452.574 4.836 20 0 JJADLO CN(C)c1ccc([NH+]2CCC(NC(=O)c3ccc(Oc4ccncc4)c(Cl)c3)CC2)cc1 ZINC001361129402 1066393436 /nfs/dbraw/zinc/39/34/36/1066393436.db2.gz WXJLGSFIXFWCAM-UHFFFAOYSA-N 1 2 450.970 4.992 20 0 JJADLO CC(C)(C)OC(=O)N[C@H](CC(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1)C(C)(C)C ZINC001455508013 1066400339 /nfs/dbraw/zinc/40/03/39/1066400339.db2.gz HXVSIELGMYEDJD-OAQYLSRUSA-N 1 2 454.615 4.534 20 0 JJADLO Cc1ccc([C@H](Cn2c(N(C)Cc3cc(Cl)ccn3)nnc2C(C)(C)C)[NH+]2CCOCC2)cc1 ZINC001361140569 1066417899 /nfs/dbraw/zinc/41/78/99/1066417899.db2.gz DAEVHBARIWNLRP-QHCPKHFHSA-N 1 2 483.060 4.642 20 0 JJADLO Cc1ccc(C)c(OCc2nnc(N(C)C[C@@H]3CCCOC3)n2CCCc2cccc(C)[nH+]2)c1 ZINC001361148658 1066435931 /nfs/dbraw/zinc/43/59/31/1066435931.db2.gz RIZHVHNZSNINNH-QHCPKHFHSA-N 1 2 463.626 4.673 20 0 JJADLO O=C(CCc1ncc(-c2ccccc2Br)o1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC001455887764 1066446144 /nfs/dbraw/zinc/44/61/44/1066446144.db2.gz WLXLCTKEDUFZHY-UHFFFAOYSA-N 1 2 455.356 4.535 20 0 JJADLO CC(C)c1nc(C(=O)N2CCC(Nc3cccc[nH+]3)CC2)nn1-c1c(Cl)cccc1Cl ZINC001455895171 1066447415 /nfs/dbraw/zinc/44/74/15/1066447415.db2.gz PBGFSZDSGGDBQG-UHFFFAOYSA-N 1 2 459.381 4.809 20 0 JJADLO O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)NC2(c3cccc(C(F)(F)F)c3)CCC2)c1 ZINC001361157488 1066460507 /nfs/dbraw/zinc/46/05/07/1066460507.db2.gz FIYMSAXAOYSPNC-UHFFFAOYSA-N 1 2 456.468 4.740 20 0 JJADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1c(C)nn(-c2ccc(F)cc2)c1Cl ZINC001361161810 1066467890 /nfs/dbraw/zinc/46/78/90/1066467890.db2.gz YYCOGJRQDBBFOH-UHFFFAOYSA-N 1 2 455.965 4.747 20 0 JJADLO CC(C)Oc1ccc(F)cc1NC(=O)C[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001361164307 1066475838 /nfs/dbraw/zinc/47/58/38/1066475838.db2.gz CLJHGYBCRBOGDR-UHFFFAOYSA-N 1 2 459.562 4.578 20 0 JJADLO CC(C)Oc1ccc(F)cc1NC(=O)C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001361164307 1066475847 /nfs/dbraw/zinc/47/58/47/1066475847.db2.gz CLJHGYBCRBOGDR-UHFFFAOYSA-N 1 2 459.562 4.578 20 0 JJADLO O=C(NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)C(=O)c1ccc(Br)s1 ZINC001456031826 1066483645 /nfs/dbraw/zinc/48/36/45/1066483645.db2.gz SEQHIIQZVURMQP-OAHLLOKOSA-N 1 2 455.805 4.518 20 0 JJADLO O=C(NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)C(=O)c1ccc(Br)s1 ZINC001456031826 1066483652 /nfs/dbraw/zinc/48/36/52/1066483652.db2.gz SEQHIIQZVURMQP-OAHLLOKOSA-N 1 2 455.805 4.518 20 0 JJADLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N[C@@H](c2ccccc2Cl)c2ccccc2OC)cc1 ZINC001444669361 1066490933 /nfs/dbraw/zinc/49/09/33/1066490933.db2.gz PWPRSZLUXGJLKS-ZCYQVOJMSA-N 1 2 450.966 4.837 20 0 JJADLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)N[C@@H](c2ccccc2Cl)c2ccccc2OC)cc1 ZINC001444669361 1066490940 /nfs/dbraw/zinc/49/09/40/1066490940.db2.gz PWPRSZLUXGJLKS-ZCYQVOJMSA-N 1 2 450.966 4.837 20 0 JJADLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)NCc2c(Cl)cc(Br)cc2Cl)cc1 ZINC001456196963 1066534811 /nfs/dbraw/zinc/53/48/11/1066534811.db2.gz OSYRHGPNMVXDGU-SFHVURJKSA-N 1 2 458.183 4.655 20 0 JJADLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)NCc2c(Cl)cc(Br)cc2Cl)cc1 ZINC001456196963 1066534819 /nfs/dbraw/zinc/53/48/19/1066534819.db2.gz OSYRHGPNMVXDGU-SFHVURJKSA-N 1 2 458.183 4.655 20 0 JJADLO Cc1ccc(CN(C)c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H](C)[NH+]2CCOCC2)s1 ZINC001361247803 1066590554 /nfs/dbraw/zinc/59/05/54/1066590554.db2.gz BGAXWZLFUKQKOV-MJGOQNOKSA-N 1 2 490.073 4.799 20 0 JJADLO CC(C)(C)OC(=O)NCC(C)(C)C1CCN(C(=O)[C@H]2CC[C@@H](Nc3cccc[nH+]3)CC2)CC1 ZINC001456499538 1066601613 /nfs/dbraw/zinc/60/16/13/1066601613.db2.gz ZCCCTMXFTGCJJR-TYKWCNGQSA-N 1 2 458.647 4.842 20 0 JJADLO Cc1ccc(CN(C)c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCO[C@H](C)C3)[nH+]c2)s1 ZINC001361255123 1066603072 /nfs/dbraw/zinc/60/30/72/1066603072.db2.gz HMGRYTWIOMKEKP-GOSISDBHSA-N 1 2 468.671 4.541 20 0 JJADLO Cc1ccc(CN(C)c2nnc(Cc3ccncc3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)s1 ZINC001361259223 1066609869 /nfs/dbraw/zinc/60/98/69/1066609869.db2.gz VLNUVJLSEZJNGV-QFIPXVFZSA-N 1 2 482.604 4.851 20 0 JJADLO Cc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)cc1 ZINC001446294661 1066686969 /nfs/dbraw/zinc/68/69/69/1066686969.db2.gz UZDTWYQQJAHLIA-HSZRJFAPSA-N 1 2 452.599 4.653 20 0 JJADLO Cc1cn2c([nH+]1)[C@@H](Cn1c(CC(C)(C)C)nnc1N(C)CCOc1ccc(F)cc1)CCC2 ZINC001492628555 1066700050 /nfs/dbraw/zinc/70/00/50/1066700050.db2.gz HHTFTLPTVZZMHP-LJQANCHMSA-N 1 2 454.594 4.604 20 0 JJADLO Cc1cn2c([nH+]1)[C@@H](Cn1c(COc3ccc(C)c(C)c3)nnc1N(C)CCC(F)F)CCC2 ZINC001492628803 1066700260 /nfs/dbraw/zinc/70/02/60/1066700260.db2.gz NGLSGMLPGDJIKI-LJQANCHMSA-N 1 2 458.557 4.648 20 0 JJADLO Cc1cn2c([nH+]1)[C@H](Cn1c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc1N(C)CCC(F)F)CCC2 ZINC001492628813 1066700274 /nfs/dbraw/zinc/70/02/74/1066700274.db2.gz NNGOELOACGCBND-ROUUACIJSA-N 1 2 493.603 4.524 20 0 JJADLO CC(C)(C)C(=O)NCCCC(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC001446527640 1066716010 /nfs/dbraw/zinc/71/60/10/1066716010.db2.gz LFHGCTFGEWHNEO-XMMPIXPASA-N 1 2 456.030 4.516 20 0 JJADLO CC(C)(C)OC(=O)N1CCc2ccc(C(=O)N3CCC(CCCn4cc[nH+]c4)CC3)cc2C1 ZINC001446712538 1066733540 /nfs/dbraw/zinc/73/35/40/1066733540.db2.gz GWPHJOGUMKBPIE-UHFFFAOYSA-N 1 2 452.599 4.509 20 0 JJADLO Cc1csc(CN(C)c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[N@@H+]2CCOCC2(C)C)c1 ZINC001492645375 1066745955 /nfs/dbraw/zinc/74/59/55/1066745955.db2.gz TYTNAHSVWPDIFQ-IBGZPJMESA-N 1 2 487.645 4.674 20 0 JJADLO Cc1csc(CN(C)c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[N@H+]2CCOCC2(C)C)c1 ZINC001492645375 1066745963 /nfs/dbraw/zinc/74/59/63/1066745963.db2.gz TYTNAHSVWPDIFQ-IBGZPJMESA-N 1 2 487.645 4.674 20 0 JJADLO C[C@H](C(=O)Nc1ccccc1Nc1c(F)cccc1F)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001446860182 1066749359 /nfs/dbraw/zinc/74/93/59/1066749359.db2.gz DKHPNEYMIWQLNJ-QGZVFWFLSA-N 1 2 454.496 4.997 20 0 JJADLO Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)N3CC[N@@H+](C)[C@@H](C)[C@@H]3C)cc12 ZINC001446963411 1066759337 /nfs/dbraw/zinc/75/93/37/1066759337.db2.gz FDEUFMZJPWXRBY-KBPBESRZSA-N 1 2 451.423 4.926 20 0 JJADLO Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)N3CC[N@H+](C)[C@@H](C)[C@@H]3C)cc12 ZINC001446963411 1066759346 /nfs/dbraw/zinc/75/93/46/1066759346.db2.gz FDEUFMZJPWXRBY-KBPBESRZSA-N 1 2 451.423 4.926 20 0 JJADLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1 ZINC001446988082 1066762410 /nfs/dbraw/zinc/76/24/10/1066762410.db2.gz MUDXKTFEWKSZFZ-UHFFFAOYSA-N 1 2 459.859 4.719 20 0 JJADLO O=C(COc1ccccc1Cc1ccccc1)NCCc1cn(Cc2ccc(Cl)cc2)c[nH+]1 ZINC001457370044 1066817180 /nfs/dbraw/zinc/81/71/80/1066817180.db2.gz PALFRTNNJQQKSK-UHFFFAOYSA-N 1 2 459.977 4.913 20 0 JJADLO COc1ccc(C2(C(=O)NCCc3cn4cc(Br)cc(C)c4[nH+]3)CCCC2)cc1 ZINC001447512899 1066817394 /nfs/dbraw/zinc/81/73/94/1066817394.db2.gz MFTFDNTWKUSNFM-UHFFFAOYSA-N 1 2 456.384 4.585 20 0 JJADLO Cc1nc(Cc2nnc(N3CCC[C@H](C)CC3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)cs1 ZINC001492679203 1066821267 /nfs/dbraw/zinc/82/12/67/1066821267.db2.gz WTQCSSYZHWBJIR-KKSFZXQISA-N 1 2 474.625 4.841 20 0 JJADLO CCN(CC)c1ccc2cc(C(=O)Nc3nc(C[NH+]4CCC(C)CC4)cs3)c(=O)oc2c1 ZINC001457506886 1066846070 /nfs/dbraw/zinc/84/60/70/1066846070.db2.gz ZPTATEIHDLBIID-UHFFFAOYSA-N 1 2 454.596 4.580 20 0 JJADLO Cc1ncc(C[NH+]2CCN(c3nnc(-c4cccc(Cl)c4)n3CCCCOC(C)C)CC2)s1 ZINC001492701658 1066858497 /nfs/dbraw/zinc/85/84/97/1066858497.db2.gz BRFHYGCTTMFFTO-UHFFFAOYSA-N 1 2 489.089 4.891 20 0 JJADLO Cc1ncc(C[NH+]2CCN(c3nnc(-c4ccc(Cl)cc4F)n3CCOC(C)(C)C)CC2)s1 ZINC001492701765 1066859317 /nfs/dbraw/zinc/85/93/17/1066859317.db2.gz FWYCFIZUMWUCLA-UHFFFAOYSA-N 1 2 493.052 4.640 20 0 JJADLO Cc1ncc(C[NH+]2CCN(c3nnc(CC(C)(C)C)n3C[C@H](C)c3ccccc3)CC2)s1 ZINC001492701905 1066859403 /nfs/dbraw/zinc/85/94/03/1066859403.db2.gz KQWRRLQBQVICJG-IBGZPJMESA-N 1 2 452.672 4.758 20 0 JJADLO Cc1ncc(C[NH+]2CCN(c3nnc(-c4ccc(C)c(Br)c4)n3CC(C)C)CC2)s1 ZINC001492702063 1066859942 /nfs/dbraw/zinc/85/99/42/1066859942.db2.gz QNBGUBIVKYHBMB-UHFFFAOYSA-N 1 2 489.487 4.759 20 0 JJADLO COc1ccc2cc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)c(Br)c3)ccc2c1 ZINC001447801299 1066861379 /nfs/dbraw/zinc/86/13/79/1066861379.db2.gz HQRGMODFXDSUNH-UHFFFAOYSA-N 1 2 454.368 4.615 20 0 JJADLO Cc1nc(N2CCN(c3nnc([C@@H](C)Oc4ccccc4F)n3CCCC(C)(C)C)CC2)cc[nH+]1 ZINC001492703400 1066861773 /nfs/dbraw/zinc/86/17/73/1066861773.db2.gz OUCBAEUQASCVFE-LJQANCHMSA-N 1 2 481.620 4.809 20 0 JJADLO O=C(NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)c1ccc(Br)c(O)c1 ZINC001457564256 1066862578 /nfs/dbraw/zinc/86/25/78/1066862578.db2.gz ZEXWFPFNZQJYLY-IBGZPJMESA-N 1 2 457.393 4.746 20 0 JJADLO O=C(NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)c1ccc(Br)c(O)c1 ZINC001457564256 1066862585 /nfs/dbraw/zinc/86/25/85/1066862585.db2.gz ZEXWFPFNZQJYLY-IBGZPJMESA-N 1 2 457.393 4.746 20 0 JJADLO CC(C)C1(C)CCN(C(=O)c2cccnc2N2CC[NH+](Cc3cccc(Cl)c3)CC2)CC1 ZINC001448023170 1066891729 /nfs/dbraw/zinc/89/17/29/1066891729.db2.gz OZPHBXYRKBAYCB-UHFFFAOYSA-N 1 2 455.046 4.956 20 0 JJADLO C[C@H](NC(=O)c1scc(Br)c1Br)c1ccc(-n2cc[nH+]c2)cc1 ZINC001457711053 1066902173 /nfs/dbraw/zinc/90/21/73/1066902173.db2.gz OUOKNTFAHZXHPM-JTQLQIEISA-N 1 2 455.175 4.950 20 0 JJADLO CC(C)(C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC001448530847 1066936011 /nfs/dbraw/zinc/93/60/11/1066936011.db2.gz HLFUWMBNYKHTEF-FQEVSTJZSA-N 1 2 450.410 4.992 20 0 JJADLO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2 ZINC001457916831 1066941591 /nfs/dbraw/zinc/94/15/91/1066941591.db2.gz XKGGEAYCUKQCBC-MRXNPFEDSA-N 1 2 453.389 4.612 20 0 JJADLO O=C(N[C@@H]1CCC[N@H+](CCF)C1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2 ZINC001457916831 1066941597 /nfs/dbraw/zinc/94/15/97/1066941597.db2.gz XKGGEAYCUKQCBC-MRXNPFEDSA-N 1 2 453.389 4.612 20 0 JJADLO CC[C@@H](c1nnc(N(C)CC(C)(C)C)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1)c1ccccc1 ZINC001545720451 1066974909 /nfs/dbraw/zinc/97/49/09/1066974909.db2.gz XEIIQFNZWVCQEX-FGZHOGPDSA-N 1 2 476.673 4.803 20 0 JJADLO CC[C@@H](c1nnc(N(C)CC(C)(C)C)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1)c1ccccc1 ZINC001545720451 1066974923 /nfs/dbraw/zinc/97/49/23/1066974923.db2.gz XEIIQFNZWVCQEX-FGZHOGPDSA-N 1 2 476.673 4.803 20 0 JJADLO Cc1cc(I)cc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC001449099869 1066982491 /nfs/dbraw/zinc/98/24/91/1066982491.db2.gz PBRGGPSTONICNW-IBGZPJMESA-N 1 2 452.311 4.732 20 0 JJADLO Cc1cc(I)cc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC001449099869 1066982501 /nfs/dbraw/zinc/98/25/01/1066982501.db2.gz PBRGGPSTONICNW-IBGZPJMESA-N 1 2 452.311 4.732 20 0 JJADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N(C)[C@@H](C)c3ccccn3)c2c1C ZINC001458141108 1066986254 /nfs/dbraw/zinc/98/62/54/1066986254.db2.gz KPSZGNXGDYDGCI-KRWDZBQOSA-N 1 2 453.612 4.755 20 0 JJADLO CCNc1ccc(C)cc1C(=O)N1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC001546011880 1066987515 /nfs/dbraw/zinc/98/75/15/1066987515.db2.gz WJOMCAYIJDMMFF-UHFFFAOYSA-N 1 2 457.618 4.991 20 0 JJADLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(OC(F)(F)Cl)cc1 ZINC001458151380 1066989192 /nfs/dbraw/zinc/98/91/92/1066989192.db2.gz DQNYYODBRDRMFM-IIBYNOLFSA-N 1 2 451.945 4.931 20 0 JJADLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(OC(F)(F)Cl)cc1 ZINC001458151380 1066989204 /nfs/dbraw/zinc/98/92/04/1066989204.db2.gz DQNYYODBRDRMFM-IIBYNOLFSA-N 1 2 451.945 4.931 20 0 JJADLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C(=O)OC(C)(C)C)cc1 ZINC001458154606 1066990747 /nfs/dbraw/zinc/99/07/47/1066990747.db2.gz OMEMKPQZPKMLRW-YADARESESA-N 1 2 451.611 4.718 20 0 JJADLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C(=O)OC(C)(C)C)cc1 ZINC001458154606 1066990757 /nfs/dbraw/zinc/99/07/57/1066990757.db2.gz OMEMKPQZPKMLRW-YADARESESA-N 1 2 451.611 4.718 20 0 JJADLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)C2(c3cccc(C(F)(F)F)c3)CCCCC2)cn1 ZINC001449258696 1066993170 /nfs/dbraw/zinc/99/31/70/1066993170.db2.gz GESNOBZZYUODND-UHFFFAOYSA-N 1 2 459.516 4.566 20 0 JJADLO Cc1c(C(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)sc2nccc(C)c12 ZINC001449309280 1066997982 /nfs/dbraw/zinc/99/79/82/1066997982.db2.gz IUMBSLYFAXSFFW-UHFFFAOYSA-N 1 2 459.369 4.808 20 0 JJADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(C)c1 ZINC001458185449 1066999819 /nfs/dbraw/zinc/99/98/19/1066999819.db2.gz XHTLYTMDIUJLHH-GMAHTHKFSA-N 1 2 454.615 4.785 20 0 JJADLO CCCOc1ccc(C(=O)c2ccccc2C(=O)N2CC[N@H+](CC)C[C@@H]2C)cc1OCCC ZINC001449340771 1067001743 /nfs/dbraw/zinc/00/17/43/1067001743.db2.gz WPQZOLGDQGBFRI-FQEVSTJZSA-N 1 2 452.595 4.661 20 0 JJADLO CCCOc1ccc(C(=O)c2ccccc2C(=O)N2CC[N@@H+](CC)C[C@@H]2C)cc1OCCC ZINC001449340771 1067001753 /nfs/dbraw/zinc/00/17/53/1067001753.db2.gz WPQZOLGDQGBFRI-FQEVSTJZSA-N 1 2 452.595 4.661 20 0 JJADLO O=C(Cc1coc2cc(F)ccc12)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC001449366293 1067004616 /nfs/dbraw/zinc/00/46/16/1067004616.db2.gz CPDFVMGHLCDQIT-UHFFFAOYSA-N 1 2 456.315 4.802 20 0 JJADLO Brc1cccnc1N1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC001458267099 1067016645 /nfs/dbraw/zinc/01/66/45/1067016645.db2.gz JVBHBGDNIGEPST-UHFFFAOYSA-N 1 2 452.396 4.772 20 0 JJADLO CC[C@@H](c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CC[C@H](OC)C(F)(F)F)c1ccccc1 ZINC001545756521 1067034065 /nfs/dbraw/zinc/03/40/65/1067034065.db2.gz JKLJRHQFXUGUKR-RTWAWAEBSA-N 1 2 488.558 4.509 20 0 JJADLO CC[C@@H](c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CC[C@@H](OC)C(F)(F)F)c1ccccc1 ZINC001545756520 1067034225 /nfs/dbraw/zinc/03/42/25/1067034225.db2.gz JKLJRHQFXUGUKR-NHCUHLMSSA-N 1 2 488.558 4.509 20 0 JJADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(NCCc3ncccc3C)c2c1C ZINC001458401544 1067052963 /nfs/dbraw/zinc/05/29/63/1067052963.db2.gz REKXXABOEXTXTI-UHFFFAOYSA-N 1 2 453.612 4.520 20 0 JJADLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)CCOc2ccc(Cl)c(Cl)c2)c2ccc(Cl)cc2)C1 ZINC001458454982 1067067268 /nfs/dbraw/zinc/06/72/68/1067067268.db2.gz PAFWYWKWITZGKP-FPOVZHCZSA-N 1 2 457.785 4.604 20 0 JJADLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)CCOc2ccc(Cl)c(Cl)c2)c2ccc(Cl)cc2)C1 ZINC001458454982 1067067282 /nfs/dbraw/zinc/06/72/82/1067067282.db2.gz PAFWYWKWITZGKP-FPOVZHCZSA-N 1 2 457.785 4.604 20 0 JJADLO COc1ccc(C[C@H](C)CN(C)C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)cc1 ZINC001458457750 1067067790 /nfs/dbraw/zinc/06/77/90/1067067790.db2.gz QEGVMHUYTIJSBP-FDDCHVKYSA-N 1 2 459.428 4.932 20 0 JJADLO CC(C)(C)c1nc(CCNC(=O)[C@H](c2cccc(Br)c2)[NH+]2CCCC2)cs1 ZINC001458467970 1067069632 /nfs/dbraw/zinc/06/96/32/1067069632.db2.gz RYRAIABYZFEOTQ-SFHVURJKSA-N 1 2 450.446 4.699 20 0 JJADLO CC(C)C[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)CCCNC(=O)OC(C)(C)C ZINC001450289102 1067069696 /nfs/dbraw/zinc/06/96/96/1067069696.db2.gz CFVPCBLAPAVSRY-NRFANRHFSA-N 1 2 452.039 4.704 20 0 JJADLO CC(C)C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)CCCNC(=O)OC(C)(C)C ZINC001450289102 1067069708 /nfs/dbraw/zinc/06/97/08/1067069708.db2.gz CFVPCBLAPAVSRY-NRFANRHFSA-N 1 2 452.039 4.704 20 0 JJADLO Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC001450525489 1067086430 /nfs/dbraw/zinc/08/64/30/1067086430.db2.gz RGFRNGQRAUTEND-UHFFFAOYSA-N 1 2 451.014 4.975 20 0 JJADLO CC(C)Oc1ccc2ccccc2c1CNC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC001458680605 1067107658 /nfs/dbraw/zinc/10/76/58/1067107658.db2.gz FBPGTADUMSEFMC-UHFFFAOYSA-N 1 2 456.546 4.782 20 0 JJADLO COC(=O)C[C@@H](NC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1)c1cccc2ccccc21 ZINC001450807715 1067124810 /nfs/dbraw/zinc/12/48/10/1067124810.db2.gz WZTKPEXVSCOTEJ-XMMPIXPASA-N 1 2 454.530 4.585 20 0 JJADLO COC(=O)C1(c2ccc(CSc3nnc([C@@H](C)[NH+](C)C)n3-c3ccc(F)cc3)cc2)CC1 ZINC001458736639 1067126170 /nfs/dbraw/zinc/12/61/70/1067126170.db2.gz PPFPZBGMRYQSRS-MRXNPFEDSA-N 1 2 454.571 4.526 20 0 JJADLO C[C@@H](Sc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1)c1ncc(Br)cn1 ZINC001458752340 1067131578 /nfs/dbraw/zinc/13/15/78/1067131578.db2.gz OYRRAZFFUXXDGC-OAHLLOKOSA-N 1 2 459.417 4.659 20 0 JJADLO CCC1(CC)CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001546103729 1067147311 /nfs/dbraw/zinc/14/73/11/1067147311.db2.gz UXSKKTVKZPBDSR-HXUWFJFHSA-N 1 2 473.637 4.685 20 0 JJADLO CCC1(CC)CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001546103813 1067148056 /nfs/dbraw/zinc/14/80/56/1067148056.db2.gz XQAQHWFLYZUUBG-WOJBJXKFSA-N 1 2 476.065 4.809 20 0 JJADLO CCC1(CC)CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001546103813 1067148063 /nfs/dbraw/zinc/14/80/63/1067148063.db2.gz XQAQHWFLYZUUBG-WOJBJXKFSA-N 1 2 476.065 4.809 20 0 JJADLO CCOc1ccc2ccccc2c1C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC001458814006 1067153173 /nfs/dbraw/zinc/15/31/73/1067153173.db2.gz NIEFTQKLEWWCMV-UHFFFAOYSA-N 1 2 452.352 4.930 20 0 JJADLO CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2cc(F)ccc2F)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001545826672 1067175756 /nfs/dbraw/zinc/17/57/56/1067175756.db2.gz ROCRNHDGAUIIIU-ZWKOTPCHSA-N 1 2 499.610 4.755 20 0 JJADLO CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccccc2C)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001545826829 1067176318 /nfs/dbraw/zinc/17/63/18/1067176318.db2.gz UOGOFTLGAGEJKV-NHCUHLMSSA-N 1 2 477.657 4.785 20 0 JJADLO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@H]3CCCC[C@H]32)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001545849827 1067204093 /nfs/dbraw/zinc/20/40/93/1067204093.db2.gz VMKCWOPIULBSIQ-WWPVKYPJSA-N 1 2 481.689 4.501 20 0 JJADLO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@H]3CCCC[C@@H]32)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001545849825 1067204232 /nfs/dbraw/zinc/20/42/32/1067204232.db2.gz VMKCWOPIULBSIQ-PMOQBDJRSA-N 1 2 481.689 4.501 20 0 JJADLO C[C@H](Cc1ccccc1Cl)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC001459046321 1067238422 /nfs/dbraw/zinc/23/84/22/1067238422.db2.gz UWLIOKDPZYTJIK-OAHLLOKOSA-N 1 2 450.808 4.672 20 0 JJADLO C[NH+]1CCN(c2ccc(NC(=O)CCCc3ccccc3Cl)cc2Br)CC1 ZINC001459047210 1067238898 /nfs/dbraw/zinc/23/88/98/1067238898.db2.gz XGGDZSXGQFIQAI-UHFFFAOYSA-N 1 2 450.808 4.816 20 0 JJADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C3(c4cccc(Cl)c4)CCCCC3)c2)CC1 ZINC001459067625 1067242766 /nfs/dbraw/zinc/24/27/66/1067242766.db2.gz GJQRPZUPVHOSGF-UHFFFAOYSA-N 1 2 454.014 4.845 20 0 JJADLO Cc1cc(N2CCN(C(=O)CSCc3ccc(C(F)(F)F)cc3)CC2)nc(C(C)C)[nH+]1 ZINC001459068475 1067243338 /nfs/dbraw/zinc/24/33/38/1067243338.db2.gz JGGNUMUPHNFEEH-UHFFFAOYSA-N 1 2 452.546 4.509 20 0 JJADLO C[C@@H](SCC(=O)NCc1ccccc1C[NH+]1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC001459192754 1067269481 /nfs/dbraw/zinc/26/94/81/1067269481.db2.gz IHNPQMDDARNWNX-QGZVFWFLSA-N 1 2 452.542 4.648 20 0 JJADLO CCC1(CC)CCN(c2nnc(CC(C)C)n2C[C@H](c2ccc(C)cc2)[NH+]2CCOCC2)C1 ZINC001546108416 1067302836 /nfs/dbraw/zinc/30/28/36/1067302836.db2.gz BCHXJBHFXWGZTA-XMMPIXPASA-N 1 2 453.675 4.875 20 0 JJADLO CC[N@H+](CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1)Cc1cccc(Br)c1 ZINC001459377318 1067307637 /nfs/dbraw/zinc/30/76/37/1067307637.db2.gz YVZZDTZTDGIQJZ-UHFFFAOYSA-N 1 2 455.278 4.805 20 0 JJADLO CC[N@@H+](CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1)Cc1cccc(Br)c1 ZINC001459377318 1067307651 /nfs/dbraw/zinc/30/76/51/1067307651.db2.gz YVZZDTZTDGIQJZ-UHFFFAOYSA-N 1 2 455.278 4.805 20 0 JJADLO CC[C@]1(C)CC[C@@H](Cn2c(CC(C)(C)C)nnc2N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)O1 ZINC001546053424 1067318571 /nfs/dbraw/zinc/31/85/71/1067318571.db2.gz AKWNTUURMLWKLE-LZCXECNNSA-N 1 2 489.730 4.786 20 0 JJADLO CC[C@]1(C)CC[C@@H](Cn2c(CC(C)(C)C)nnc2N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)O1 ZINC001546053423 1067318696 /nfs/dbraw/zinc/31/86/96/1067318696.db2.gz AKWNTUURMLWKLE-ISJBWFOZSA-N 1 2 489.730 4.786 20 0 JJADLO C[N@H+](Cc1cc(Br)ccc1F)[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC001459417824 1067319736 /nfs/dbraw/zinc/31/97/36/1067319736.db2.gz YMMWOVLQSWWKED-GOSISDBHSA-N 1 2 457.290 4.817 20 0 JJADLO C[N@@H+](Cc1cc(Br)ccc1F)[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC001459417824 1067319746 /nfs/dbraw/zinc/31/97/46/1067319746.db2.gz YMMWOVLQSWWKED-GOSISDBHSA-N 1 2 457.290 4.817 20 0 JJADLO Cc1ccc(NC(=O)C[N@H+](CCO)Cc2cccc(OCc3ccccc3Cl)c2)cc1C ZINC001459436190 1067324857 /nfs/dbraw/zinc/32/48/57/1067324857.db2.gz BMIBWZXKAWVATG-UHFFFAOYSA-N 1 2 452.982 4.969 20 0 JJADLO Cc1ccc(NC(=O)C[N@@H+](CCO)Cc2cccc(OCc3ccccc3Cl)c2)cc1C ZINC001459436190 1067324870 /nfs/dbraw/zinc/32/48/70/1067324870.db2.gz BMIBWZXKAWVATG-UHFFFAOYSA-N 1 2 452.982 4.969 20 0 JJADLO CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C[NH+]1CCC(COC)CC1 ZINC001459461871 1067330081 /nfs/dbraw/zinc/33/00/81/1067330081.db2.gz DPYUTZGPELLQAF-UHFFFAOYSA-N 1 2 450.988 4.542 20 0 JJADLO CC[C@@]1(C)CC[C@@H](Cn2c(CC(C)C)nnc2N2CC[NH+](Cc3cccc(Cl)c3)CC2)O1 ZINC001546055344 1067331750 /nfs/dbraw/zinc/33/17/50/1067331750.db2.gz ZTCDYSYSHISDGS-DHLKQENFSA-N 1 2 460.066 4.800 20 0 JJADLO CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(Cc2ncsc2Br)CC1 ZINC001459471797 1067333985 /nfs/dbraw/zinc/33/39/85/1067333985.db2.gz XHENTPOIPNRPLX-MRXNPFEDSA-N 1 2 459.251 4.937 20 0 JJADLO CCc1oc(C(=O)OC)cc1C[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC001459503501 1067339469 /nfs/dbraw/zinc/33/94/69/1067339469.db2.gz PUTUZGBSHJPUOF-UHFFFAOYSA-N 1 2 451.498 4.970 20 0 JJADLO CCc1oc(C(=O)OC)cc1C[N@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC001459503501 1067339479 /nfs/dbraw/zinc/33/94/79/1067339479.db2.gz PUTUZGBSHJPUOF-UHFFFAOYSA-N 1 2 451.498 4.970 20 0 JJADLO CCOC(=O)C1=C(C[N@@H+]2CC[C@H](C)C[C@@H]2c2ccco2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001459563726 1067352393 /nfs/dbraw/zinc/35/23/93/1067352393.db2.gz NCEHQRXYVHYQGU-LYLBAIIYSA-N 1 2 457.958 4.577 20 0 JJADLO CCOC(=O)C1=C(C[N@H+]2CC[C@H](C)C[C@@H]2c2ccco2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001459563726 1067352405 /nfs/dbraw/zinc/35/24/05/1067352405.db2.gz NCEHQRXYVHYQGU-LYLBAIIYSA-N 1 2 457.958 4.577 20 0 JJADLO CO[C@@H](C)c1nc(CN2CCC[N@H+](Cc3csc(CCc4ccccc4)n3)CC2)cs1 ZINC001459604896 1067361089 /nfs/dbraw/zinc/36/10/89/1067361089.db2.gz CGVBMXFTDKEFBQ-IBGZPJMESA-N 1 2 456.681 4.800 20 0 JJADLO CO[C@@H](C)c1nc(CN2CCC[N@@H+](Cc3csc(CCc4ccccc4)n3)CC2)cs1 ZINC001459604896 1067361100 /nfs/dbraw/zinc/36/11/00/1067361100.db2.gz CGVBMXFTDKEFBQ-IBGZPJMESA-N 1 2 456.681 4.800 20 0 JJADLO CCN(C[C@H]1CC[N@H+](Cc2csc(N(C(C)=O)c3ccc(C)cc3)n2)C1)CC(F)(F)F ZINC001459626879 1067367950 /nfs/dbraw/zinc/36/79/50/1067367950.db2.gz CDKZWHFZWHTZJN-GOSISDBHSA-N 1 2 454.562 4.842 20 0 JJADLO CCN(C[C@H]1CC[N@@H+](Cc2csc(N(C(C)=O)c3ccc(C)cc3)n2)C1)CC(F)(F)F ZINC001459626879 1067367961 /nfs/dbraw/zinc/36/79/61/1067367961.db2.gz CDKZWHFZWHTZJN-GOSISDBHSA-N 1 2 454.562 4.842 20 0 JJADLO O=C(C[NH+]1CCC(Cc2ccccc2F)CC1)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC001459657890 1067373446 /nfs/dbraw/zinc/37/34/46/1067373446.db2.gz RTSDMWSFRJPRND-RUZDIDTESA-N 1 2 458.021 4.687 20 0 JJADLO O=C(CN1CCC(Cc2ccccc2F)CC1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001459657890 1067373456 /nfs/dbraw/zinc/37/34/56/1067373456.db2.gz RTSDMWSFRJPRND-RUZDIDTESA-N 1 2 458.021 4.687 20 0 JJADLO O=C(NC[C@@H]1CCCC[N@H+]1CC[S@@](=O)c1cc(Cl)ccc1Cl)Nc1ccccc1 ZINC001459689832 1067384506 /nfs/dbraw/zinc/38/45/06/1067384506.db2.gz CZOVHJGJOIADIT-RBSBEOHCSA-N 1 2 454.423 4.777 20 0 JJADLO O=C(NC[C@@H]1CCCC[N@@H+]1CC[S@@](=O)c1cc(Cl)ccc1Cl)Nc1ccccc1 ZINC001459689832 1067384515 /nfs/dbraw/zinc/38/45/15/1067384515.db2.gz CZOVHJGJOIADIT-RBSBEOHCSA-N 1 2 454.423 4.777 20 0 JJADLO C[C@@]([NH2+]CC(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1)(C(N)=O)c1cccc(Cl)c1 ZINC001459705690 1067389421 /nfs/dbraw/zinc/38/94/21/1067389421.db2.gz HIKYRISZZBZEJF-QHCPKHFHSA-N 1 2 458.345 4.715 20 0 JJADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)Cc1nc2sc(C)c(C)c2c(N)n1 ZINC001459707383 1067389708 /nfs/dbraw/zinc/38/97/08/1067389708.db2.gz PSVZMEYLXZEMPK-UHFFFAOYSA-N 1 2 450.612 4.578 20 0 JJADLO COC(=O)[C@@H](c1ccccc1)[N@H+](C)C[C@H](O)c1ccc(-c2ccc(Br)cc2)cc1 ZINC001459710219 1067391109 /nfs/dbraw/zinc/39/11/09/1067391109.db2.gz OJNNQGHLGRVPBG-XZOQPEGZSA-N 1 2 454.364 4.996 20 0 JJADLO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)C[C@H](O)c1ccc(-c2ccc(Br)cc2)cc1 ZINC001459710219 1067391119 /nfs/dbraw/zinc/39/11/19/1067391119.db2.gz OJNNQGHLGRVPBG-XZOQPEGZSA-N 1 2 454.364 4.996 20 0 JJADLO CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)[N@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC001459716249 1067393805 /nfs/dbraw/zinc/39/38/05/1067393805.db2.gz IHCSMPJLUMMBHE-HNNXBMFYSA-N 1 2 455.555 4.970 20 0 JJADLO CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC001459716249 1067393814 /nfs/dbraw/zinc/39/38/14/1067393814.db2.gz IHCSMPJLUMMBHE-HNNXBMFYSA-N 1 2 455.555 4.970 20 0 JJADLO O=C(NC[C@@H]1CCCN(c2ccccc2)C1)[C@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001459753969 1067407418 /nfs/dbraw/zinc/40/74/18/1067407418.db2.gz HMBNYZCVCRGHND-CVDCTZTESA-N 1 2 456.428 4.619 20 0 JJADLO C[N@H+](CCOCc1ccccc1)CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC001459769960 1067415075 /nfs/dbraw/zinc/41/50/75/1067415075.db2.gz PXLHIHMBSUIQDA-HSZRJFAPSA-N 1 2 451.954 4.759 20 0 JJADLO C[N@@H+](CCOCc1ccccc1)CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC001459769960 1067415077 /nfs/dbraw/zinc/41/50/77/1067415077.db2.gz PXLHIHMBSUIQDA-HSZRJFAPSA-N 1 2 451.954 4.759 20 0 JJADLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1CC(=O)N(CC)[C@H](C)c1ccc(F)cc1 ZINC001459792850 1067425659 /nfs/dbraw/zinc/42/56/59/1067425659.db2.gz WDKWFECZMOBFBV-HXAGEGRHSA-N 1 2 454.634 4.671 20 0 JJADLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1CC(=O)N(CC)[C@H](C)c1ccc(F)cc1 ZINC001459792850 1067425661 /nfs/dbraw/zinc/42/56/61/1067425661.db2.gz WDKWFECZMOBFBV-HXAGEGRHSA-N 1 2 454.634 4.671 20 0 JJADLO CCOC(=O)C1C(C[NH2+][C@@H](c2ccccc2C)C2CC2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001459833198 1067444817 /nfs/dbraw/zinc/44/48/17/1067444817.db2.gz JFGCIULODKPBAY-PKTZIBPZSA-N 1 2 453.970 4.560 20 0 JJADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC001459871919 1067467770 /nfs/dbraw/zinc/46/77/70/1067467770.db2.gz CKWCHESEUFGJNQ-GOSISDBHSA-N 1 2 457.640 4.925 20 0 JJADLO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC001459871919 1067467778 /nfs/dbraw/zinc/46/77/78/1067467778.db2.gz CKWCHESEUFGJNQ-GOSISDBHSA-N 1 2 457.640 4.925 20 0 JJADLO CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]C1(c2noc(C3CCCCC3)n2)CCCCCC1 ZINC001459915378 1067488268 /nfs/dbraw/zinc/48/82/68/1067488268.db2.gz SLPMWCGKGPGPNP-IBGZPJMESA-N 1 2 450.624 4.532 20 0 JJADLO Cc1noc(C2(C)CC[NH+](CC(=O)Nc3nc(-c4ccc(C(C)(C)C)cc4)cs3)CC2)n1 ZINC001459920258 1067491259 /nfs/dbraw/zinc/49/12/59/1067491259.db2.gz CPBSYKYZIPDFQL-UHFFFAOYSA-N 1 2 453.612 4.791 20 0 JJADLO Nc1nc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccccc2C(F)(F)F)nc2ccccc12 ZINC001459926024 1067494888 /nfs/dbraw/zinc/49/48/88/1067494888.db2.gz BSJKEHUSBFXOAH-QFIPXVFZSA-N 1 2 452.480 4.967 20 0 JJADLO Nc1nc(C[N@H+](Cc2ccccc2)C[C@H](O)c2ccccc2C(F)(F)F)nc2ccccc12 ZINC001459926024 1067494892 /nfs/dbraw/zinc/49/48/92/1067494892.db2.gz BSJKEHUSBFXOAH-QFIPXVFZSA-N 1 2 452.480 4.967 20 0 JJADLO CCCOc1ccc(-c2nc(C(=O)N(CCn3cc[nH+]c3)C3CCSCC3)cs2)cc1 ZINC001459992895 1067518388 /nfs/dbraw/zinc/51/83/88/1067518388.db2.gz NKGMMOZVKPPTAW-UHFFFAOYSA-N 1 2 456.637 4.833 20 0 JJADLO O=C(c1cc(-c2ccc(Cl)cc2Cl)on1)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC001459992901 1067518408 /nfs/dbraw/zinc/51/84/08/1067518408.db2.gz NQFCMZZMJAFOQF-UHFFFAOYSA-N 1 2 451.379 4.883 20 0 JJADLO COCCOc1cccc(CNC(=O)C[N@@H+]2CCCC[C@@H]2c2cccc(C(F)(F)F)c2)c1 ZINC001459996772 1067520010 /nfs/dbraw/zinc/52/00/10/1067520010.db2.gz MEMTYRIQPHOVSW-JOCHJYFZSA-N 1 2 450.501 4.574 20 0 JJADLO COCCOc1cccc(CNC(=O)C[N@H+]2CCCC[C@@H]2c2cccc(C(F)(F)F)c2)c1 ZINC001459996772 1067520014 /nfs/dbraw/zinc/52/00/14/1067520014.db2.gz MEMTYRIQPHOVSW-JOCHJYFZSA-N 1 2 450.501 4.574 20 0 JJADLO CCOC(=O)c1sc2[nH]c([C@H](C)[N@@H+]3CCC[C@@H](c4ccc(CC)cc4)C3)nc(=O)c2c1C ZINC001460064495 1067543731 /nfs/dbraw/zinc/54/37/31/1067543731.db2.gz KCZKDLHTTGZQHN-QFBILLFUSA-N 1 2 453.608 4.973 20 0 JJADLO CCOC(=O)c1sc2[nH]c([C@H](C)[N@H+]3CCC[C@@H](c4ccc(CC)cc4)C3)nc(=O)c2c1C ZINC001460064495 1067543735 /nfs/dbraw/zinc/54/37/35/1067543735.db2.gz KCZKDLHTTGZQHN-QFBILLFUSA-N 1 2 453.608 4.973 20 0 JJADLO CC1CCN(C(=O)OC[C@@H]2CCCC[N@@H+]2Cc2ccc(I)cc2)CC1 ZINC001460081428 1067548464 /nfs/dbraw/zinc/54/84/64/1067548464.db2.gz ZBFDTRQJIYHSHA-IBGZPJMESA-N 1 2 456.368 4.514 20 0 JJADLO CC1CCN(C(=O)OC[C@@H]2CCCC[N@H+]2Cc2ccc(I)cc2)CC1 ZINC001460081428 1067548466 /nfs/dbraw/zinc/54/84/66/1067548466.db2.gz ZBFDTRQJIYHSHA-IBGZPJMESA-N 1 2 456.368 4.514 20 0 JJADLO CC1CCN(C(=O)OC[C@H]2CCCC[N@@H+]2Cc2ccc(I)cc2)CC1 ZINC001460081430 1067549086 /nfs/dbraw/zinc/54/90/86/1067549086.db2.gz ZBFDTRQJIYHSHA-LJQANCHMSA-N 1 2 456.368 4.514 20 0 JJADLO CC1CCN(C(=O)OC[C@H]2CCCC[N@H+]2Cc2ccc(I)cc2)CC1 ZINC001460081430 1067549092 /nfs/dbraw/zinc/54/90/92/1067549092.db2.gz ZBFDTRQJIYHSHA-LJQANCHMSA-N 1 2 456.368 4.514 20 0 JJADLO CCCCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1coc(-c2ccc(Br)cc2)n1 ZINC001460089946 1067551718 /nfs/dbraw/zinc/55/17/18/1067551718.db2.gz KCDLBWRRMPVCBN-LJQANCHMSA-N 1 2 450.377 4.985 20 0 JJADLO CCCCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1coc(-c2ccc(Br)cc2)n1 ZINC001460089946 1067551728 /nfs/dbraw/zinc/55/17/28/1067551728.db2.gz KCDLBWRRMPVCBN-LJQANCHMSA-N 1 2 450.377 4.985 20 0 JJADLO CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2nc(Cc3cccc(F)c3)no2)CC1 ZINC001460105931 1067556326 /nfs/dbraw/zinc/55/63/26/1067556326.db2.gz NFQFHBYEUUHSIU-QFIPXVFZSA-N 1 2 458.578 4.657 20 0 JJADLO CCc1ccc(NC(=O)c2nnc(C[NH2+][C@@H]3C[C@@H](OCc4ccccc4)C3(C)C)s2)cc1 ZINC001460128747 1067560934 /nfs/dbraw/zinc/56/09/34/1067560934.db2.gz YIAIUCGPUCNFIR-NHCUHLMSSA-N 1 2 450.608 4.826 20 0 JJADLO CCOC(=O)C1(C(=O)c2ccccc2)CC[NH+](C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC001460128761 1067560996 /nfs/dbraw/zinc/56/09/96/1067560996.db2.gz ACCUDRCSZPOVCB-HXUWFJFHSA-N 1 2 450.362 4.555 20 0 JJADLO COc1ccc(NC(=O)CC[N@@H+]2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)cc1Cl ZINC001460197371 1067576845 /nfs/dbraw/zinc/57/68/45/1067576845.db2.gz PUFNKCOUZDPGFR-IBGZPJMESA-N 1 2 458.864 4.649 20 0 JJADLO COc1ccc(NC(=O)CC[N@H+]2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)cc1Cl ZINC001460197371 1067576851 /nfs/dbraw/zinc/57/68/51/1067576851.db2.gz PUFNKCOUZDPGFR-IBGZPJMESA-N 1 2 458.864 4.649 20 0 JJADLO Cc1ccc(-c2csc(NC(=O)C[N@H+]3CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C3)n2)cc1 ZINC001460209028 1067579774 /nfs/dbraw/zinc/57/97/74/1067579774.db2.gz YDRDMTRNTCEAEV-IEBWSBKVSA-N 1 2 458.628 4.540 20 0 JJADLO Cc1ccc(-c2csc(NC(=O)C[N@@H+]3CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C3)n2)cc1 ZINC001460209028 1067579783 /nfs/dbraw/zinc/57/97/83/1067579783.db2.gz YDRDMTRNTCEAEV-IEBWSBKVSA-N 1 2 458.628 4.540 20 0 JJADLO C[C@@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@H+]1C[C@@H](c2ccccc2F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001460245119 1067589784 /nfs/dbraw/zinc/58/97/84/1067589784.db2.gz ZLOCTPHFPQNVGA-GXBNZEJLSA-N 1 2 481.612 4.875 20 0 JJADLO C[C@@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@@H+]1C[C@@H](c2ccccc2F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001460245119 1067589791 /nfs/dbraw/zinc/58/97/91/1067589791.db2.gz ZLOCTPHFPQNVGA-GXBNZEJLSA-N 1 2 481.612 4.875 20 0 JJADLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)c1cc(Br)cc(N2CCCC2)c1 ZINC001460342638 1067612571 /nfs/dbraw/zinc/61/25/71/1067612571.db2.gz GWAMGOOADDXELK-UHFFFAOYSA-N 1 2 459.775 4.818 20 0 JJADLO O=C(C[NH+]1CCN(c2ccc(Br)cc2)CC1)N[C@H](c1ccccc1)C1CCCC1 ZINC001460355612 1067615808 /nfs/dbraw/zinc/61/58/08/1067615808.db2.gz IYVZPVRZUGEOHM-XMMPIXPASA-N 1 2 456.428 4.619 20 0 JJADLO O=C(C[NH+]1CCN(c2ccc(Br)cc2)CC1)N[C@@H](c1ccccc1)C1CCCC1 ZINC001460355609 1067615825 /nfs/dbraw/zinc/61/58/25/1067615825.db2.gz IYVZPVRZUGEOHM-DEOSSOPVSA-N 1 2 456.428 4.619 20 0 JJADLO CCCc1ccc(C[N@@H+]2CC[C@@H](c3ccc(OC)c(F)c3)[C@@H](NC(=O)C(F)(F)F)C2)cc1 ZINC001460369496 1067619989 /nfs/dbraw/zinc/61/99/89/1067619989.db2.gz ZPHVIJYSRBLDQX-FPOVZHCZSA-N 1 2 452.492 4.823 20 0 JJADLO CCCc1ccc(C[N@H+]2CC[C@@H](c3ccc(OC)c(F)c3)[C@@H](NC(=O)C(F)(F)F)C2)cc1 ZINC001460369496 1067619993 /nfs/dbraw/zinc/61/99/93/1067619993.db2.gz ZPHVIJYSRBLDQX-FPOVZHCZSA-N 1 2 452.492 4.823 20 0 JJADLO CCCNC(=O)c1cccc(C(=O)N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@@H]2CC(C)C)c1 ZINC001460443339 1067635745 /nfs/dbraw/zinc/63/57/45/1067635745.db2.gz CMEZTKDATSZWTB-DEOSSOPVSA-N 1 2 456.030 4.853 20 0 JJADLO CCCNC(=O)c1cccc(C(=O)N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]2CC(C)C)c1 ZINC001460443339 1067635751 /nfs/dbraw/zinc/63/57/51/1067635751.db2.gz CMEZTKDATSZWTB-DEOSSOPVSA-N 1 2 456.030 4.853 20 0 JJADLO CC(C)(C)OC(=O)N1CCC(CC[N@@H+]2CCOC[C@H]2c2cccc(Br)c2)CC1 ZINC001460460282 1067638154 /nfs/dbraw/zinc/63/81/54/1067638154.db2.gz ZOEVOEJSIIFYDE-FQEVSTJZSA-N 1 2 453.421 4.860 20 0 JJADLO CC(C)(C)OC(=O)N1CCC(CC[N@H+]2CCOC[C@H]2c2cccc(Br)c2)CC1 ZINC001460460282 1067638158 /nfs/dbraw/zinc/63/81/58/1067638158.db2.gz ZOEVOEJSIIFYDE-FQEVSTJZSA-N 1 2 453.421 4.860 20 0 JJADLO O=C(N[C@@H]1C[N@H+](Cc2ccccc2Oc2cccnc2)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001460464033 1067638515 /nfs/dbraw/zinc/63/85/15/1067638515.db2.gz SNWFAUOKBHSGPI-FGZHOGPDSA-N 1 2 455.480 4.911 20 0 JJADLO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2Oc2cccnc2)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001460464033 1067638517 /nfs/dbraw/zinc/63/85/17/1067638517.db2.gz SNWFAUOKBHSGPI-FGZHOGPDSA-N 1 2 455.480 4.911 20 0 JJADLO COc1ccc([C@H]2CCCCCN2C(=O)C[NH2+][C@@H](CO)c2cccc(Cl)c2Cl)cc1 ZINC001460472928 1067640403 /nfs/dbraw/zinc/64/04/03/1067640403.db2.gz RBTYJWZSIKGANP-LEWJYISDSA-N 1 2 451.394 4.769 20 0 JJADLO COCCC1CC[NH+](CC(=O)Nc2scc(-c3ccccc3Cl)c2C(=O)OC)CC1 ZINC001460489425 1067644752 /nfs/dbraw/zinc/64/47/52/1067644752.db2.gz GRMUSYLSIQGUEO-UHFFFAOYSA-N 1 2 450.988 4.542 20 0 JJADLO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CC[C@H]1c1ccc(Br)cc1 ZINC001460512315 1067647186 /nfs/dbraw/zinc/64/71/86/1067647186.db2.gz MZFMLHPRYLFTHF-WMZOPIPTSA-N 1 2 459.153 4.537 20 0 JJADLO O[C@H](COc1cc(F)cc(Br)c1)C[N@H+]1CC[C@H]1c1ccc(Br)cc1 ZINC001460512315 1067647191 /nfs/dbraw/zinc/64/71/91/1067647191.db2.gz MZFMLHPRYLFTHF-WMZOPIPTSA-N 1 2 459.153 4.537 20 0 JJADLO COC(=O)c1cnc([C@@H]2CCC[N@H+](Cc3nnc(-c4ccc(Cl)cc4Cl)o3)C2)s1 ZINC001460522351 1067648530 /nfs/dbraw/zinc/64/85/30/1067648530.db2.gz BYEBZFRAKUOXDL-LLVKDONJSA-N 1 2 453.351 4.666 20 0 JJADLO COC(=O)c1cnc([C@@H]2CCC[N@@H+](Cc3nnc(-c4ccc(Cl)cc4Cl)o3)C2)s1 ZINC001460522351 1067648537 /nfs/dbraw/zinc/64/85/37/1067648537.db2.gz BYEBZFRAKUOXDL-LLVKDONJSA-N 1 2 453.351 4.666 20 0 JJADLO Cc1cc(Br)ccc1[C@@H]1CCC[N@@H+]1CCCOc1ccc(S(C)(=O)=O)cc1 ZINC001460612669 1067672403 /nfs/dbraw/zinc/67/24/03/1067672403.db2.gz WOAFLPXNXIECTP-NRFANRHFSA-N 1 2 452.414 4.767 20 0 JJADLO Cc1cc(Br)ccc1[C@@H]1CCC[N@H+]1CCCOc1ccc(S(C)(=O)=O)cc1 ZINC001460612669 1067672414 /nfs/dbraw/zinc/67/24/14/1067672414.db2.gz WOAFLPXNXIECTP-NRFANRHFSA-N 1 2 452.414 4.767 20 0 JJADLO COC(=O)[C@@H]([NH2+]C[C@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(C)(C)C ZINC001460622850 1067675699 /nfs/dbraw/zinc/67/56/99/1067675699.db2.gz XQLPEMJMJYLVIJ-PZJWPPBQSA-N 1 2 454.394 4.638 20 0 JJADLO COC(=O)[C@@H]([NH2+]C[C@@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(C)(C)C ZINC001460622851 1067675754 /nfs/dbraw/zinc/67/57/54/1067675754.db2.gz XQLPEMJMJYLVIJ-TZIWHRDSSA-N 1 2 454.394 4.638 20 0 JJADLO CCc1ccc(NC(=O)c2nnc(C[NH2+][C@@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)s2)cc1 ZINC001460628069 1067677881 /nfs/dbraw/zinc/67/78/81/1067677881.db2.gz YACGLIKDOVMXKD-QUCCMNQESA-N 1 2 460.962 4.765 20 0 JJADLO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)C[NH2+][C@H](CF)c1ccc(F)cc1 ZINC001460659601 1067691431 /nfs/dbraw/zinc/69/14/31/1067691431.db2.gz RHMXANWITVLRIN-MHECFPHRSA-N 1 2 451.517 4.898 20 0 JJADLO FC(F)(F)COc1cccc(C[N@H+]2Cc3cccnc3N3CCC[C@H]3C2)c1Br ZINC001460660277 1067691792 /nfs/dbraw/zinc/69/17/92/1067691792.db2.gz HZMXRHNJVIRCBI-INIZCTEOSA-N 1 2 456.306 4.770 20 0 JJADLO FC(F)(F)COc1cccc(C[N@@H+]2Cc3cccnc3N3CCC[C@H]3C2)c1Br ZINC001460660277 1067691799 /nfs/dbraw/zinc/69/17/99/1067691799.db2.gz HZMXRHNJVIRCBI-INIZCTEOSA-N 1 2 456.306 4.770 20 0 JJADLO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC001460662479 1067692593 /nfs/dbraw/zinc/69/25/93/1067692593.db2.gz UPMULTSJICVOHR-GPXNEJASSA-N 1 2 459.606 4.647 20 0 JJADLO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC001460662479 1067692596 /nfs/dbraw/zinc/69/25/96/1067692596.db2.gz UPMULTSJICVOHR-GPXNEJASSA-N 1 2 459.606 4.647 20 0 JJADLO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@@H+]1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC001460667290 1067694122 /nfs/dbraw/zinc/69/41/22/1067694122.db2.gz RBFLHROULWONNI-KRWDZBQOSA-N 1 2 451.436 4.780 20 0 JJADLO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@H+]1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC001460667290 1067694126 /nfs/dbraw/zinc/69/41/26/1067694126.db2.gz RBFLHROULWONNI-KRWDZBQOSA-N 1 2 451.436 4.780 20 0 JJADLO CC(C)(C(=O)NCc1ccccc1Cn1cc[nH+]c1)c1csc(-c2cc(F)ccc2F)n1 ZINC001460679403 1067698684 /nfs/dbraw/zinc/69/86/84/1067698684.db2.gz DYSONSSIXGYMLR-UHFFFAOYSA-N 1 2 452.530 4.927 20 0 JJADLO CC(=O)N(c1nc(C[N@H+]2C[C@@H](C(=O)OC(C)(C)C)[C@H](C3CC3)C2)cs1)c1ccc(C)cc1 ZINC001460744398 1067713998 /nfs/dbraw/zinc/71/39/98/1067713998.db2.gz CETSJHJUXHXTMP-FCHUYYIVSA-N 1 2 455.624 4.936 20 0 JJADLO CC(=O)N(c1nc(C[N@@H+]2C[C@@H](C(=O)OC(C)(C)C)[C@H](C3CC3)C2)cs1)c1ccc(C)cc1 ZINC001460744398 1067714007 /nfs/dbraw/zinc/71/40/07/1067714007.db2.gz CETSJHJUXHXTMP-FCHUYYIVSA-N 1 2 455.624 4.936 20 0 JJADLO C[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001460870787 1067739195 /nfs/dbraw/zinc/73/91/95/1067739195.db2.gz KMAVIZQUMLMNKG-SFHVURJKSA-N 1 2 451.583 4.677 20 0 JJADLO C[C@@H](C(=O)N1CCSc2ccccc21)[N@@H+]1CCc2c(cccc2NC(=O)OC(C)(C)C)C1 ZINC001460885688 1067742706 /nfs/dbraw/zinc/74/27/06/1067742706.db2.gz HCHQRSCMBYFUNB-KRWDZBQOSA-N 1 2 453.608 4.919 20 0 JJADLO C[C@@H](C(=O)N1CCSc2ccccc21)[N@H+]1CCc2c(cccc2NC(=O)OC(C)(C)C)C1 ZINC001460885688 1067742712 /nfs/dbraw/zinc/74/27/12/1067742712.db2.gz HCHQRSCMBYFUNB-KRWDZBQOSA-N 1 2 453.608 4.919 20 0 JJADLO COC(=O)[C@H](c1ccccc1Cl)[NH+]1CCC2(CCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC001460975288 1067755282 /nfs/dbraw/zinc/75/52/82/1067755282.db2.gz FYPAKMYCBAVVIM-XLIONFOSSA-N 1 2 451.007 4.961 20 0 JJADLO CCOC(=O)c1c(NC(=O)[C@H](C)[N@@H+]2CCc3cc(CC)ccc3C2)sc2c1CC[C@H](C)C2 ZINC001460979837 1067755973 /nfs/dbraw/zinc/75/59/73/1067755973.db2.gz VDSZDGAMLXFQPK-IRXDYDNUSA-N 1 2 454.636 4.997 20 0 JJADLO CCOC(=O)c1c(NC(=O)[C@H](C)[N@H+]2CCc3cc(CC)ccc3C2)sc2c1CC[C@H](C)C2 ZINC001460979837 1067755977 /nfs/dbraw/zinc/75/59/77/1067755977.db2.gz VDSZDGAMLXFQPK-IRXDYDNUSA-N 1 2 454.636 4.997 20 0 JJADLO Cc1cc(CNC(=O)CSCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)cc(C)[nH+]1 ZINC001461002786 1067760681 /nfs/dbraw/zinc/76/06/81/1067760681.db2.gz DETUSZBXIYOTKM-UHFFFAOYSA-N 1 2 450.589 4.625 20 0 JJADLO CC[C@H](Oc1ccccc1C)C(=O)N(CCCn1cc[nH+]c1)c1ccc(Br)cn1 ZINC001461086875 1067779121 /nfs/dbraw/zinc/77/91/21/1067779121.db2.gz NXXAKTTWPFAZFS-IBGZPJMESA-N 1 2 457.372 4.630 20 0 JJADLO Cc1ccc([C@H]([NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)c2ccc(F)cc2Cl)cc1 ZINC001461179981 1067793995 /nfs/dbraw/zinc/79/39/95/1067793995.db2.gz IWKJZXRHIQZNJG-NRFANRHFSA-N 1 2 453.366 4.968 20 0 JJADLO COc1ccc([C@H]([NH2+]Cc2cccc(OC3CC3)c2F)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001461259250 1067812375 /nfs/dbraw/zinc/81/23/75/1067812375.db2.gz ZRVOFEOWDBMIQQ-VWLOTQADSA-N 1 2 455.551 4.658 20 0 JJADLO C[NH+]1CCN(c2ccc(NCc3c(F)cccc3Br)cc2Br)CC1 ZINC001461433252 1067855536 /nfs/dbraw/zinc/85/55/36/1067855536.db2.gz ISTCAYHDVZHTSZ-UHFFFAOYSA-N 1 2 457.185 4.715 20 0 JJADLO CN(C(=O)OC(C)(C)C)c1ccc(NCc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)cn1 ZINC001461528588 1067882029 /nfs/dbraw/zinc/88/20/29/1067882029.db2.gz FSEIMIQSXSFFPM-UHFFFAOYSA-N 1 2 457.962 4.994 20 0 JJADLO COc1cc(OC)cc(C(=O)N2CC[NH+](Cc3cccc(Oc4ccc(F)cc4)c3)CC2)c1 ZINC001461842784 1067945390 /nfs/dbraw/zinc/94/53/90/1067945390.db2.gz KNBINRWWOQSBFE-UHFFFAOYSA-N 1 2 450.510 4.593 20 0 JJADLO COc1cc(C)ccc1Oc1ccccc1C[N@H+](C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC001461847808 1067946197 /nfs/dbraw/zinc/94/61/97/1067946197.db2.gz CZCFFQBFDSZYOI-UHFFFAOYSA-N 1 2 454.592 4.515 20 0 JJADLO COc1cc(C)ccc1Oc1ccccc1C[N@@H+](C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC001461847808 1067946204 /nfs/dbraw/zinc/94/62/04/1067946204.db2.gz CZCFFQBFDSZYOI-UHFFFAOYSA-N 1 2 454.592 4.515 20 0 JJADLO CC[C@H]1C[N@H+](Cc2cn(-c3cccc(Cl)c3Cl)nn2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001461860502 1067949137 /nfs/dbraw/zinc/94/91/37/1067949137.db2.gz COHKCXISJKSHMR-YOEHRIQHSA-N 1 2 454.402 4.699 20 0 JJADLO CC[C@H]1C[N@@H+](Cc2cn(-c3cccc(Cl)c3Cl)nn2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001461860502 1067949149 /nfs/dbraw/zinc/94/91/49/1067949149.db2.gz COHKCXISJKSHMR-YOEHRIQHSA-N 1 2 454.402 4.699 20 0 JJADLO COC(=O)c1cc(Br)oc1C[N@@H+]1CCC[C@H](Cc2cc(Cl)ccc2OC)C1 ZINC001461866586 1067950569 /nfs/dbraw/zinc/95/05/69/1067950569.db2.gz NDXZADGWHFTTQX-CYBMUJFWSA-N 1 2 456.764 4.945 20 0 JJADLO COC(=O)c1cc(Br)oc1C[N@H+]1CCC[C@H](Cc2cc(Cl)ccc2OC)C1 ZINC001461866586 1067950572 /nfs/dbraw/zinc/95/05/72/1067950572.db2.gz NDXZADGWHFTTQX-CYBMUJFWSA-N 1 2 456.764 4.945 20 0 JJADLO Cc1nn(C)c(C[N@@H+]2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)c1Br ZINC001461928316 1067962288 /nfs/dbraw/zinc/96/22/88/1067962288.db2.gz RIDDMLGXUAANRT-INIZCTEOSA-N 1 2 450.425 4.767 20 0 JJADLO Cc1nn(C)c(C[N@H+]2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)c1Br ZINC001461928316 1067962293 /nfs/dbraw/zinc/96/22/93/1067962293.db2.gz RIDDMLGXUAANRT-INIZCTEOSA-N 1 2 450.425 4.767 20 0 JJADLO O=C(CN1CC[NH+](C/C=C/c2ccc(OCc3ccccc3)cc2)CC1)Nc1ccccc1F ZINC001461929021 1067962854 /nfs/dbraw/zinc/96/28/54/1067962854.db2.gz VTTSUCXOEYMNIB-RMKNXTFCSA-N 1 2 459.565 4.674 20 0 JJADLO CCOc1ccc(Br)cc1C[N@H+](Cc1ncc(Br)cc1O)C1CC1 ZINC001461949932 1067967488 /nfs/dbraw/zinc/96/74/88/1067967488.db2.gz QHFMPICZBOWAEE-UHFFFAOYSA-N 1 2 456.178 4.876 20 0 JJADLO CCOc1ccc(Br)cc1C[N@@H+](Cc1ncc(Br)cc1O)C1CC1 ZINC001461949932 1067967494 /nfs/dbraw/zinc/96/74/94/1067967494.db2.gz QHFMPICZBOWAEE-UHFFFAOYSA-N 1 2 456.178 4.876 20 0 JJADLO CCOC(=O)N1CCC[N@H+](Cc2c(C)nn(-c3ccccc3)c2Oc2cccc(F)c2)CC1 ZINC001461956623 1067968902 /nfs/dbraw/zinc/96/89/02/1067968902.db2.gz GLDOIJLUUFDEJK-UHFFFAOYSA-N 1 2 452.530 4.776 20 0 JJADLO CCOC(=O)N1CCC[N@@H+](Cc2c(C)nn(-c3ccccc3)c2Oc2cccc(F)c2)CC1 ZINC001461956623 1067968906 /nfs/dbraw/zinc/96/89/06/1067968906.db2.gz GLDOIJLUUFDEJK-UHFFFAOYSA-N 1 2 452.530 4.776 20 0 JJADLO COC(=O)c1ccccc1-c1ccc(C[NH+]2CCN(Cc3csc(C(C)(C)C)n3)CC2)o1 ZINC001461975891 1067972944 /nfs/dbraw/zinc/97/29/44/1067972944.db2.gz DMCXRUXTHGRDLI-UHFFFAOYSA-N 1 2 453.608 4.805 20 0 JJADLO CCc1[nH]c(C[N@@H+]2CCc3c(cccc3NC(=O)Nc3ccc(F)cc3)C2)cc1C(=O)OC ZINC001461985016 1067974837 /nfs/dbraw/zinc/97/48/37/1067974837.db2.gz BRYCTDQLTOGLNO-UHFFFAOYSA-N 1 2 450.514 4.705 20 0 JJADLO CCc1[nH]c(C[N@H+]2CCc3c(cccc3NC(=O)Nc3ccc(F)cc3)C2)cc1C(=O)OC ZINC001461985016 1067974846 /nfs/dbraw/zinc/97/48/46/1067974846.db2.gz BRYCTDQLTOGLNO-UHFFFAOYSA-N 1 2 450.514 4.705 20 0 JJADLO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2c2nc(Cc3ccc(Br)cc3)no2)cc1 ZINC001461987701 1067976155 /nfs/dbraw/zinc/97/61/55/1067976155.db2.gz QWYMSFJUMQMHLM-LJQANCHMSA-N 1 2 456.340 4.547 20 0 JJADLO COC(=O)c1ccc(C[N@H+]2CCC[C@@H]2c2nc(Cc3ccc(Br)cc3)no2)cc1 ZINC001461987701 1067976163 /nfs/dbraw/zinc/97/61/63/1067976163.db2.gz QWYMSFJUMQMHLM-LJQANCHMSA-N 1 2 456.340 4.547 20 0 JJADLO O=C(NCc1ccnc(-c2ccccc2)c1)[C@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001461999735 1067978127 /nfs/dbraw/zinc/97/81/27/1067978127.db2.gz QUDUMSDVTSVAFX-QHCPKHFHSA-N 1 2 450.380 4.964 20 0 JJADLO CC(C)(C)OC(=O)N[C@H](C[NH+]1CCN(c2ccc(C(F)(F)F)cc2)CC1)CC(F)(F)F ZINC001462042274 1067987818 /nfs/dbraw/zinc/98/78/18/1067987818.db2.gz CKSWBVSBSDVNGH-HNNXBMFYSA-N 1 2 455.443 4.673 20 0 JJADLO Cc1cc2occ(C(=O)Nc3cc(N4CCN(C(=O)OC(C)(C)C)CC4)cc[nH+]3)c2cc1C ZINC001462053184 1067991364 /nfs/dbraw/zinc/99/13/64/1067991364.db2.gz SXQAIIRNPQPBDB-UHFFFAOYSA-N 1 2 450.539 4.754 20 0 JJADLO Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCC[N@@H+]1C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC001462066807 1067995276 /nfs/dbraw/zinc/99/52/76/1067995276.db2.gz BHCVORJDQZDEJL-NVQXNPDNSA-N 1 2 454.615 4.510 20 0 JJADLO Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCC[N@H+]1C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC001462066807 1067995280 /nfs/dbraw/zinc/99/52/80/1067995280.db2.gz BHCVORJDQZDEJL-NVQXNPDNSA-N 1 2 454.615 4.510 20 0 JJADLO C[C@@H]1C[N@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001462074777 1067996970 /nfs/dbraw/zinc/99/69/70/1067996970.db2.gz YAZUZUFNRODURZ-DLBZAZTESA-N 1 2 452.521 4.780 20 0 JJADLO C[C@@H]1C[N@@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001462074777 1067996983 /nfs/dbraw/zinc/99/69/83/1067996983.db2.gz YAZUZUFNRODURZ-DLBZAZTESA-N 1 2 452.521 4.780 20 0 JJADLO CC(C)(C)OC(=O)N1CC(c2cc(C[NH2+][C@H]3CCOc4c(Cl)c(Cl)ccc43)on2)C1 ZINC001462188086 1068025036 /nfs/dbraw/zinc/02/50/36/1068025036.db2.gz FFRRZJNIMPGJDI-INIZCTEOSA-N 1 2 454.354 4.929 20 0 JJADLO CCn1c(C[NH2+]Cc2ccc(OC)cc2Br)nc2cc(Br)ccc21 ZINC001462191363 1068025881 /nfs/dbraw/zinc/02/58/81/1068025881.db2.gz ODJNIIJNLFYZBD-UHFFFAOYSA-N 1 2 453.178 4.880 20 0 JJADLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)c3cc4ccc(Br)cc4s3)C2)c1 ZINC001462234338 1068034901 /nfs/dbraw/zinc/03/49/01/1068034901.db2.gz NJALBFLGXSBLGJ-IBGZPJMESA-N 1 2 459.409 4.603 20 0 JJADLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)c3cc4ccc(Br)cc4s3)C2)c1 ZINC001462234338 1068034917 /nfs/dbraw/zinc/03/49/17/1068034917.db2.gz NJALBFLGXSBLGJ-IBGZPJMESA-N 1 2 459.409 4.603 20 0 JJADLO CCc1ccccc1O[C@@H](C(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1)c1ccccc1 ZINC001462239817 1068036149 /nfs/dbraw/zinc/03/61/49/1068036149.db2.gz XSBIXUQCYXCCCX-XTEPFMGCSA-N 1 2 458.602 4.695 20 0 JJADLO CCc1ccccc1O[C@@H](C(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1)c1ccccc1 ZINC001462239817 1068036163 /nfs/dbraw/zinc/03/61/63/1068036163.db2.gz XSBIXUQCYXCCCX-XTEPFMGCSA-N 1 2 458.602 4.695 20 0 JJADLO CC(C)(C)OC(=O)N1CC[NH+](CCOc2ccccc2NC2CCC3(CCCO3)CC2)CC1 ZINC001462307776 1068047695 /nfs/dbraw/zinc/04/76/95/1068047695.db2.gz ASVMZSFKYGDTFO-UHFFFAOYSA-N 1 2 459.631 4.522 20 0 JJADLO CC(C)(C)c1csc(CC2(O)CC[NH+](Cc3cnn(Cc4ccccc4)c3Cl)CC2)n1 ZINC001462511240 1068088602 /nfs/dbraw/zinc/08/86/02/1068088602.db2.gz JVHVQGWJDRSNCM-UHFFFAOYSA-N 1 2 459.059 4.908 20 0 JJADLO COc1ccc(C[NH2+]Cc2cc(F)cc(NC(=O)OC(C)(C)C)c2)c(Br)c1O ZINC001462556421 1068097398 /nfs/dbraw/zinc/09/73/98/1068097398.db2.gz GIJKBFFLDQANTI-UHFFFAOYSA-N 1 2 455.324 4.939 20 0 JJADLO COc1ccccc1N1CCC[N@H+](Cc2cc(Br)cc(Br)c2)CC1 ZINC001462652996 1068125282 /nfs/dbraw/zinc/12/52/82/1068125282.db2.gz IOBXKOWRCLDZTJ-UHFFFAOYSA-N 1 2 454.206 4.933 20 0 JJADLO COc1ccccc1N1CCC[N@@H+](Cc2cc(Br)cc(Br)c2)CC1 ZINC001462652996 1068125284 /nfs/dbraw/zinc/12/52/84/1068125284.db2.gz IOBXKOWRCLDZTJ-UHFFFAOYSA-N 1 2 454.206 4.933 20 0 JJADLO Cc1nc2ccc(S(=O)(=O)NC[C@H]3CCCC[N@@H+]3Cc3cccc(Cl)c3)cc2s1 ZINC001463035652 1068258700 /nfs/dbraw/zinc/25/87/00/1068258700.db2.gz BDAMFUWOKBHTOK-GOSISDBHSA-N 1 2 450.029 4.591 20 0 JJADLO Cc1nc2ccc(S(=O)(=O)NC[C@H]3CCCC[N@H+]3Cc3cccc(Cl)c3)cc2s1 ZINC001463035652 1068258715 /nfs/dbraw/zinc/25/87/15/1068258715.db2.gz BDAMFUWOKBHTOK-GOSISDBHSA-N 1 2 450.029 4.591 20 0 JJADLO Cc1nc2ccc(S(=O)(=O)NC[C@@H]3CCCC[N@@H+]3Cc3cccc(Cl)c3)cc2s1 ZINC001463035654 1068258764 /nfs/dbraw/zinc/25/87/64/1068258764.db2.gz BDAMFUWOKBHTOK-SFHVURJKSA-N 1 2 450.029 4.591 20 0 JJADLO Cc1nc2ccc(S(=O)(=O)NC[C@@H]3CCCC[N@H+]3Cc3cccc(Cl)c3)cc2s1 ZINC001463035654 1068258781 /nfs/dbraw/zinc/25/87/81/1068258781.db2.gz BDAMFUWOKBHTOK-SFHVURJKSA-N 1 2 450.029 4.591 20 0 JJADLO CCN(C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)S(=O)(=O)c1ccc(C)cc1Cl ZINC001463136171 1068298878 /nfs/dbraw/zinc/29/88/78/1068298878.db2.gz BMGCHLAWFZVOAX-UHFFFAOYSA-N 1 2 451.036 4.550 20 0 JJADLO C[C@@H]1CN(S(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001463343011 1068363711 /nfs/dbraw/zinc/36/37/11/1068363711.db2.gz PAFZRAKJQNLEDP-MSOLQXFVSA-N 1 2 457.665 4.877 20 0 JJADLO C[C@@H]1CN(S(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001463343011 1068363724 /nfs/dbraw/zinc/36/37/24/1068363724.db2.gz PAFZRAKJQNLEDP-MSOLQXFVSA-N 1 2 457.665 4.877 20 0 JJADLO COc1ccc(CN(c2cc[nH+]cc2)S(=O)(=O)c2cc3ccc(Cl)nc3cc2F)cc1 ZINC001463345214 1068365217 /nfs/dbraw/zinc/36/52/17/1068365217.db2.gz ASFKLSCREIPOJR-UHFFFAOYSA-N 1 2 457.914 4.826 20 0 JJADLO COc1ccc(-c2nc(C(=O)N3CCC[C@@H](c4c[nH+]cn4C(C)(C)C)C3)cs2)cc1OC ZINC001463448615 1068400414 /nfs/dbraw/zinc/40/04/14/1068400414.db2.gz GFGXNMBKWMNGBA-QGZVFWFLSA-N 1 2 454.596 4.799 20 0 JJADLO CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)C1 ZINC001463452648 1068402171 /nfs/dbraw/zinc/40/21/71/1068402171.db2.gz RLMCFDJGBFCFNH-QGZVFWFLSA-N 1 2 456.388 4.606 20 0 JJADLO CC(C)(C)OC(=O)Nc1ccc(Cl)c(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)c1 ZINC001463607838 1068464775 /nfs/dbraw/zinc/46/47/75/1068464775.db2.gz DBINVRPHUKKWTE-UHFFFAOYSA-N 1 2 459.974 4.524 20 0 JJADLO CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC001463647481 1068480222 /nfs/dbraw/zinc/48/02/22/1068480222.db2.gz CNWHNHZBAWUYMQ-FQEVSTJZSA-N 1 2 452.357 4.584 20 0 JJADLO CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC001463647481 1068480227 /nfs/dbraw/zinc/48/02/27/1068480227.db2.gz CNWHNHZBAWUYMQ-FQEVSTJZSA-N 1 2 452.357 4.584 20 0 JJADLO O=S(=O)(Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1cccc(Br)c1F ZINC001463694785 1068496827 /nfs/dbraw/zinc/49/68/27/1068496827.db2.gz GJFFFCXTFFWDHA-UHFFFAOYSA-N 1 2 451.317 4.556 20 0 JJADLO Cc1cc(F)ccc1S(=O)(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC001463697894 1068497946 /nfs/dbraw/zinc/49/79/46/1068497946.db2.gz NJIQQIUWQXBIOO-QGZVFWFLSA-N 1 2 452.901 4.691 20 0 JJADLO Cc1cc(F)ccc1S(=O)(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F ZINC001463697894 1068497949 /nfs/dbraw/zinc/49/79/49/1068497949.db2.gz NJIQQIUWQXBIOO-QGZVFWFLSA-N 1 2 452.901 4.691 20 0 JJADLO COc1ccccc1/C=C(/C(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1)c1ccccc1 ZINC001463737156 1068508137 /nfs/dbraw/zinc/50/81/37/1068508137.db2.gz PILGQDLAZCDIII-LHLOQNFPSA-N 1 2 456.586 4.897 20 0 JJADLO Cc1cc(N2CCN(C(=O)c3cc4ccc(Br)cc4s3)CC2)nc(C(C)C)[nH+]1 ZINC001463771765 1068519928 /nfs/dbraw/zinc/51/99/28/1068519928.db2.gz OISOTPSQRXIDCO-UHFFFAOYSA-N 1 2 459.413 4.848 20 0 JJADLO CC(=O)c1c(C)[nH]c(C(=O)NN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1C(C)C ZINC001463802471 1068530703 /nfs/dbraw/zinc/53/07/03/1068530703.db2.gz VWTAIZFQTHMLMT-UHFFFAOYSA-N 1 2 458.606 4.701 20 0 JJADLO CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC001464132327 1068628448 /nfs/dbraw/zinc/62/84/48/1068628448.db2.gz TWQDJBDPLBCHAB-RTBURBONSA-N 1 2 456.002 4.672 20 0 JJADLO O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1c(C(F)(F)F)nc2ccccn21 ZINC001464133067 1068628548 /nfs/dbraw/zinc/62/85/48/1068628548.db2.gz XAYPTALDGRAZNN-HNNXBMFYSA-N 1 2 454.855 4.713 20 0 JJADLO CC[NH+](CC)[C@H](CNC(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1)c1ccsc1 ZINC001464138136 1068630483 /nfs/dbraw/zinc/63/04/83/1068630483.db2.gz CMXVWHFXJQSSNI-HSZRJFAPSA-N 1 2 456.633 4.535 20 0 JJADLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N[C@@H](C)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1 ZINC001464163821 1068639623 /nfs/dbraw/zinc/63/96/23/1068639623.db2.gz CPAKFVYHFLPDDX-UQBPGWFLSA-N 1 2 458.562 4.791 20 0 JJADLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N[C@@H](C)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1 ZINC001464163821 1068639627 /nfs/dbraw/zinc/63/96/27/1068639627.db2.gz CPAKFVYHFLPDDX-UQBPGWFLSA-N 1 2 458.562 4.791 20 0 JJADLO CSc1ccc([C@H](CNC(=O)[C@H](C)c2c(C)n[nH]c2C)[N@@H+]2CCc3sccc3C2)cc1 ZINC001464199018 1068653420 /nfs/dbraw/zinc/65/34/20/1068653420.db2.gz FDBKVQAYJMYIFR-VFNWGFHPSA-N 1 2 454.665 4.829 20 0 JJADLO CSc1ccc([C@H](CNC(=O)[C@H](C)c2c(C)n[nH]c2C)[N@H+]2CCc3sccc3C2)cc1 ZINC001464199018 1068653425 /nfs/dbraw/zinc/65/34/25/1068653425.db2.gz FDBKVQAYJMYIFR-VFNWGFHPSA-N 1 2 454.665 4.829 20 0 JJADLO CSc1ccc([C@H](CNC(=O)[C@@H](C)c2c(C)n[nH]c2C)[N@@H+]2CCc3sccc3C2)cc1 ZINC001464199010 1068653536 /nfs/dbraw/zinc/65/35/36/1068653536.db2.gz FDBKVQAYJMYIFR-BTYIYWSLSA-N 1 2 454.665 4.829 20 0 JJADLO CSc1ccc([C@H](CNC(=O)[C@@H](C)c2c(C)n[nH]c2C)[N@H+]2CCc3sccc3C2)cc1 ZINC001464199010 1068653541 /nfs/dbraw/zinc/65/35/41/1068653541.db2.gz FDBKVQAYJMYIFR-BTYIYWSLSA-N 1 2 454.665 4.829 20 0 JJADLO C[C@@H](CNC(=O)c1sc(-c2ccccc2)nc1C(F)F)[NH+]1CCN(c2ccccc2)CC1 ZINC001464201689 1068654862 /nfs/dbraw/zinc/65/48/62/1068654862.db2.gz SQCATJFNQPMQGM-KRWDZBQOSA-N 1 2 456.562 4.688 20 0 JJADLO CN(CC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1ccc(C(F)(F)F)cc1C=O ZINC001464222384 1068663750 /nfs/dbraw/zinc/66/37/50/1068663750.db2.gz RDMUGYHOJCVQBR-UHFFFAOYSA-N 1 2 456.468 4.793 20 0 JJADLO Cc1c[nH+]c2cc(C(=O)N(CC(=O)Nc3ccccc3F)Cc3ccc(Cl)cc3)ccn12 ZINC001464283089 1068690802 /nfs/dbraw/zinc/69/08/02/1068690802.db2.gz UXBUCSXNYNSIOT-UHFFFAOYSA-N 1 2 450.901 4.716 20 0 JJADLO Cc1csc(Sc2ccc(NC(=O)[C@@H](C)[NH+]3CCN(c4ccc(F)cc4)CC3)cc2)n1 ZINC001464319860 1068704280 /nfs/dbraw/zinc/70/42/80/1068704280.db2.gz JPHYTGXKOWLWCO-QGZVFWFLSA-N 1 2 456.612 4.891 20 0 JJADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc4c(c3)CCN4C(=O)OC(C)(C)C)n2)C1 ZINC001464379740 1068724607 /nfs/dbraw/zinc/72/46/07/1068724607.db2.gz JTPPCYBNICYBHE-INIZCTEOSA-N 1 2 456.612 4.925 20 0 JJADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc4c(c3)CCN4C(=O)OC(C)(C)C)n2)C1 ZINC001464379740 1068724611 /nfs/dbraw/zinc/72/46/11/1068724611.db2.gz JTPPCYBNICYBHE-INIZCTEOSA-N 1 2 456.612 4.925 20 0 JJADLO CCCN(C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1)[C@@H](C)c1cc2ccccc2o1 ZINC001464454067 1068751840 /nfs/dbraw/zinc/75/18/40/1068751840.db2.gz VXSKTHOBCILFOB-AVRDEDQJSA-N 1 2 450.583 4.763 20 0 JJADLO CCCN(C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1)[C@@H](C)c1cc2ccccc2o1 ZINC001464454067 1068751851 /nfs/dbraw/zinc/75/18/51/1068751851.db2.gz VXSKTHOBCILFOB-AVRDEDQJSA-N 1 2 450.583 4.763 20 0 JJADLO CCC[NH+]1CCN(c2ccc(NC(=O)c3cccc(Br)c3O)cc2Cl)CC1 ZINC001464471685 1068759621 /nfs/dbraw/zinc/75/96/21/1068759621.db2.gz WTQKMVLCFMJYNS-UHFFFAOYSA-N 1 2 452.780 4.592 20 0 JJADLO Cc1[nH]c([C@@H]2CCCN2S(=O)(=O)c2csnc2-c2cccc(C(F)(F)F)c2)[nH+]c1C ZINC001464515118 1068769843 /nfs/dbraw/zinc/76/98/43/1068769843.db2.gz HEFWQOIQNJVDCV-HNNXBMFYSA-N 1 2 456.515 4.695 20 0 JJADLO CCc1cc(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)sc1-c1ccccc1 ZINC001464519958 1068771143 /nfs/dbraw/zinc/77/11/43/1068771143.db2.gz PUQNSHBEJFLLTI-UHFFFAOYSA-N 1 2 450.604 4.619 20 0 JJADLO Cc1ccc2[nH+]c(CSCC(=O)Nc3ccc(C(=O)N4CCC[C@H](C)C4)cc3C)cn2c1 ZINC001464549741 1068779062 /nfs/dbraw/zinc/77/90/62/1068779062.db2.gz XRYZHNLOVJKWSI-KRWDZBQOSA-N 1 2 450.608 4.695 20 0 JJADLO O=C(NCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F)[C@H]1CCn2cc[nH+]c2C1 ZINC001464710196 1068833816 /nfs/dbraw/zinc/83/38/16/1068833816.db2.gz QKUVQFQNDLCKRJ-ZDUSSCGKSA-N 1 2 451.395 4.851 20 0 JJADLO O=C(C[C@@H](O)c1cccc(F)c1)N1CC[NH+]([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC001464711269 1068834555 /nfs/dbraw/zinc/83/45/55/1068834555.db2.gz AGAYHMMMEAZWKA-RSXGOPAZSA-N 1 2 452.957 4.836 20 0 JJADLO CC(=O)N[C@@H](CCC(C)C)C(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC001464711429 1068834610 /nfs/dbraw/zinc/83/46/10/1068834610.db2.gz BFKGTVLQQVBKHR-DQEYMECFSA-N 1 2 456.030 4.515 20 0 JJADLO FC(F)(c1nc(Cl)c2ccccc2n1)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164417275 718889991 /nfs/dbraw/zinc/88/99/91/718889991.db2.gz IUFUQKGXHZTLQL-OAHLLOKOSA-N 1 2 494.727 4.816 20 0 JJADLO Cc1ccc(Cl)nc1C(F)(F)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164415807 718890435 /nfs/dbraw/zinc/89/04/35/718890435.db2.gz BORAWYBUQDGDSI-CYBMUJFWSA-N 1 2 457.706 4.576 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc(Oc3ccccc3)n1)CC2 ZINC001164664470 719347742 /nfs/dbraw/zinc/34/77/42/719347742.db2.gz VAFGVLYXBVBREW-UHFFFAOYSA-N 1 2 466.589 4.964 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc(Oc3ccccc3)n1)CC2 ZINC001164664470 719347746 /nfs/dbraw/zinc/34/77/46/719347746.db2.gz VAFGVLYXBVBREW-UHFFFAOYSA-N 1 2 466.589 4.964 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3cc(Cl)ccc31)CC2 ZINC001164664511 719348153 /nfs/dbraw/zinc/34/81/53/719348153.db2.gz WQPAWYPVLJKAEX-UHFFFAOYSA-N 1 2 458.997 4.978 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3cc(Cl)ccc31)CC2 ZINC001164664511 719348157 /nfs/dbraw/zinc/34/81/57/719348157.db2.gz WQPAWYPVLJKAEX-UHFFFAOYSA-N 1 2 458.997 4.978 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(Cl)nc3ncccc13)CC2 ZINC001164662862 719348928 /nfs/dbraw/zinc/34/89/28/719348928.db2.gz ALOBKTMSAJNDPV-UHFFFAOYSA-N 1 2 458.997 4.978 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(Cl)nc3ncccc13)CC2 ZINC001164662862 719348931 /nfs/dbraw/zinc/34/89/31/719348931.db2.gz ALOBKTMSAJNDPV-UHFFFAOYSA-N 1 2 458.997 4.978 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc3cc(Cl)cnc3n1)CC2 ZINC001164664484 719348989 /nfs/dbraw/zinc/34/89/89/719348989.db2.gz VLVUNZNCZSSJKP-UHFFFAOYSA-N 1 2 458.997 4.978 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc3cc(Cl)cnc3n1)CC2 ZINC001164664484 719348993 /nfs/dbraw/zinc/34/89/93/719348993.db2.gz VLVUNZNCZSSJKP-UHFFFAOYSA-N 1 2 458.997 4.978 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc(-c3ccc(N(C)C)cc3)n1)CC2 ZINC001164659807 719352400 /nfs/dbraw/zinc/35/24/00/719352400.db2.gz SECWPWVXFRJBAB-UHFFFAOYSA-N 1 2 493.659 4.904 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc(-c3ccc(N(C)C)cc3)n1)CC2 ZINC001164659807 719352402 /nfs/dbraw/zinc/35/24/02/719352402.db2.gz SECWPWVXFRJBAB-UHFFFAOYSA-N 1 2 493.659 4.904 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc3ccc(C(=O)OC)cc3cn1)CC2 ZINC001164660533 719353280 /nfs/dbraw/zinc/35/32/80/719353280.db2.gz UTEVTIWQHZOKJI-UHFFFAOYSA-N 1 2 481.600 4.716 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc3ccc(C(=O)OC)cc3cn1)CC2 ZINC001164660533 719353281 /nfs/dbraw/zinc/35/32/81/719353281.db2.gz UTEVTIWQHZOKJI-UHFFFAOYSA-N 1 2 481.600 4.716 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(-c3ccc(F)cc3)nn1)CC2 ZINC001164658947 719354618 /nfs/dbraw/zinc/35/46/18/719354618.db2.gz MPEZWCGUILXBHT-UHFFFAOYSA-N 1 2 468.580 4.977 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(-c3ccc(F)cc3)nn1)CC2 ZINC001164658947 719354621 /nfs/dbraw/zinc/35/46/21/719354621.db2.gz MPEZWCGUILXBHT-UHFFFAOYSA-N 1 2 468.580 4.977 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3[nH]c4cc(F)ccc4c31)CC2 ZINC001164664918 719356104 /nfs/dbraw/zinc/35/61/04/719356104.db2.gz SFQIWHFAEZDUCR-UHFFFAOYSA-N 1 2 481.579 4.945 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3[nH]c4cc(F)ccc4c31)CC2 ZINC001164664918 719356107 /nfs/dbraw/zinc/35/61/07/719356107.db2.gz SFQIWHFAEZDUCR-UHFFFAOYSA-N 1 2 481.579 4.945 20 0 JJADLO CCCSc1ncnc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@H+]3CC)c1OC ZINC001164663839 719356225 /nfs/dbraw/zinc/35/62/25/719356225.db2.gz HJJBUVFGBGEZON-UHFFFAOYSA-N 1 2 478.666 4.682 20 0 JJADLO CCCSc1ncnc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@@H+]3CC)c1OC ZINC001164663839 719356227 /nfs/dbraw/zinc/35/62/27/719356227.db2.gz HJJBUVFGBGEZON-UHFFFAOYSA-N 1 2 478.666 4.682 20 0 JJADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nc4cc(F)c(F)cc4nc2Cl)CC3)cc1 ZINC001164674417 719504966 /nfs/dbraw/zinc/50/49/66/719504966.db2.gz WWVQRJKUOZEZIN-UHFFFAOYSA-N 1 2 462.903 4.572 20 0 JJADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nc4cc(F)c(F)cc4nc2Cl)CC3)cc1 ZINC001164674417 719504979 /nfs/dbraw/zinc/50/49/79/719504979.db2.gz WWVQRJKUOZEZIN-UHFFFAOYSA-N 1 2 462.903 4.572 20 0 JJADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2ncnc4[nH]c5ccc(Cl)cc5c42)CC3)cc1 ZINC001164671683 719519087 /nfs/dbraw/zinc/51/90/87/719519087.db2.gz HEAULKXXPLLOQX-UHFFFAOYSA-N 1 2 465.960 4.775 20 0 JJADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2ncnc4[nH]c5ccc(Cl)cc5c42)CC3)cc1 ZINC001164671683 719519091 /nfs/dbraw/zinc/51/90/91/719519091.db2.gz HEAULKXXPLLOQX-UHFFFAOYSA-N 1 2 465.960 4.775 20 0 JJADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2cc(-c4nc(-c5cccs5)no4)ccn2)CC3)cc1 ZINC001164678969 719528034 /nfs/dbraw/zinc/52/80/34/719528034.db2.gz PPPBTVJSTNLPEI-UHFFFAOYSA-N 1 2 491.592 4.871 20 0 JJADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2cc(-c4nc(-c5cccs5)no4)ccn2)CC3)cc1 ZINC001164678969 719528039 /nfs/dbraw/zinc/52/80/39/719528039.db2.gz PPPBTVJSTNLPEI-UHFFFAOYSA-N 1 2 491.592 4.871 20 0 JJADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2cc(SCc4ccccc4)ncn2)CC3)cc1 ZINC001164679286 719528988 /nfs/dbraw/zinc/52/89/88/719528988.db2.gz XAJSKZOMZSIKFW-UHFFFAOYSA-N 1 2 464.610 4.779 20 0 JJADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2cc(SCc4ccccc4)ncn2)CC3)cc1 ZINC001164679286 719528994 /nfs/dbraw/zinc/52/89/94/719528994.db2.gz XAJSKZOMZSIKFW-UHFFFAOYSA-N 1 2 464.610 4.779 20 0 JJADLO Cc1cnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc1-c1ccccc1F ZINC001164677001 719531474 /nfs/dbraw/zinc/53/14/74/719531474.db2.gz ABTZXSZHLDOHCY-UHFFFAOYSA-N 1 2 450.533 4.602 20 0 JJADLO Cc1cnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc1-c1ccccc1F ZINC001164677001 719531485 /nfs/dbraw/zinc/53/14/85/719531485.db2.gz ABTZXSZHLDOHCY-UHFFFAOYSA-N 1 2 450.533 4.602 20 0 JJADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN(C(F)(F)C3(c4ccnc(Cl)c4)CC3)CC2)cc1 ZINC001164695485 719830629 /nfs/dbraw/zinc/83/06/29/719830629.db2.gz DDRCJBMQDDRQGH-UHFFFAOYSA-N 1 2 497.977 4.759 20 0 JJADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc(-c2cccc(C)c2)nnc1Cl ZINC001164720865 720317800 /nfs/dbraw/zinc/31/78/00/720317800.db2.gz BOYJVCQMYKUQPI-OAQYLSRUSA-N 1 2 488.970 4.668 20 0 JJADLO CC(C)c1ccc(-c2cc(C(F)(F)N3CCCn4nnc(Cn5cc[nH+]c5)c4C3)c(Cl)nn2)cc1 ZINC001164830578 720399092 /nfs/dbraw/zinc/39/90/92/720399092.db2.gz SHLVNDMVKJHUEN-UHFFFAOYSA-N 1 2 498.969 4.712 20 0 JJADLO FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164756204 720977719 /nfs/dbraw/zinc/97/77/19/720977719.db2.gz GIBLQLFOQMZXPU-CQSZACIVSA-N 1 2 468.335 4.741 20 0 JJADLO FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164757014 720977851 /nfs/dbraw/zinc/97/78/51/720977851.db2.gz LVOIGZXWPXZJJQ-CQSZACIVSA-N 1 2 468.335 4.741 20 0 JJADLO FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164770035 721272968 /nfs/dbraw/zinc/27/29/68/721272968.db2.gz STIPUFSYMYJBSD-CQSZACIVSA-N 1 2 491.329 4.788 20 0 JJADLO FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164764520 721273317 /nfs/dbraw/zinc/27/33/17/721273317.db2.gz HFBMLFNCYONOOH-KRWDZBQOSA-N 1 2 482.922 4.649 20 0 JJADLO FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164770034 721273473 /nfs/dbraw/zinc/27/34/73/721273473.db2.gz STIPUFSYMYJBSD-AWEZNQCLSA-N 1 2 491.329 4.788 20 0 JJADLO FC(F)(c1ccc2ccnc(Cl)c2c1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164768179 721273494 /nfs/dbraw/zinc/27/34/94/721273494.db2.gz LPGDEMBDOSYMKU-INIZCTEOSA-N 1 2 455.896 4.740 20 0 JJADLO FC(F)(c1ccc2ccc(Cl)nc2c1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164767072 721273651 /nfs/dbraw/zinc/27/36/51/721273651.db2.gz FIQCLZZLWYPVID-MRXNPFEDSA-N 1 2 455.896 4.740 20 0 JJADLO FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164769982 721274240 /nfs/dbraw/zinc/27/42/40/721274240.db2.gz QOOXVWGUKPXUGS-CQSZACIVSA-N 1 2 491.329 4.788 20 0 JJADLO FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164767163 721276093 /nfs/dbraw/zinc/27/60/93/721276093.db2.gz HBYHVEHJJPIWPI-QGZVFWFLSA-N 1 2 482.922 4.649 20 0 JJADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(-c3ccccc3F)nc3ccc(Cl)cc31)C2 ZINC001165009749 721699403 /nfs/dbraw/zinc/69/94/03/721699403.db2.gz CUUCDQGDKFJLJN-UHFFFAOYSA-N 1 2 479.991 4.931 20 0 JJADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(-c3ccccc3F)nc3ccc(Cl)cc31)C2 ZINC001165009749 721699409 /nfs/dbraw/zinc/69/94/09/721699409.db2.gz CUUCDQGDKFJLJN-UHFFFAOYSA-N 1 2 479.991 4.931 20 0 JJADLO Cc1nc2scc(-c3cccs3)c2c(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)n1 ZINC001165008981 721714524 /nfs/dbraw/zinc/71/45/24/721714524.db2.gz MFRMZBXEZXRYRO-UHFFFAOYSA-N 1 2 453.641 4.570 20 0 JJADLO Cc1nc2scc(-c3cccs3)c2c(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)n1 ZINC001165008981 721714526 /nfs/dbraw/zinc/71/45/26/721714526.db2.gz MFRMZBXEZXRYRO-UHFFFAOYSA-N 1 2 453.641 4.570 20 0 JJADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cnc(Cl)c(-c3cccc(F)c3)c1)C2 ZINC001165010944 721718106 /nfs/dbraw/zinc/71/81/06/721718106.db2.gz LHDITZLRTRLHFI-UHFFFAOYSA-N 1 2 478.950 4.928 20 0 JJADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cnc(Cl)c(-c3cccc(F)c3)c1)C2 ZINC001165010944 721718112 /nfs/dbraw/zinc/71/81/12/721718112.db2.gz LHDITZLRTRLHFI-UHFFFAOYSA-N 1 2 478.950 4.928 20 0 JJADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)Oc1ccccc1-c1cccc(Cl)n1)C2 ZINC001165010056 721718914 /nfs/dbraw/zinc/71/89/14/721718914.db2.gz FJLKRIWBNUYUCP-UHFFFAOYSA-N 1 2 476.959 4.669 20 0 JJADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)Oc1ccccc1-c1cccc(Cl)n1)C2 ZINC001165010056 721718918 /nfs/dbraw/zinc/71/89/18/721718918.db2.gz FJLKRIWBNUYUCP-UHFFFAOYSA-N 1 2 476.959 4.669 20 0 JJADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2cnc(-c3ccccc3)c(-c3ccccc3)n2)CC1 ZINC001164917951 721815224 /nfs/dbraw/zinc/81/52/24/721815224.db2.gz RUDYRKKVHAKIAM-UHFFFAOYSA-N 1 2 450.590 4.757 20 0 JJADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2cc(-c3ccc(Cl)nc3)ccc2C2OCCCO2)CC1 ZINC001164918815 721818149 /nfs/dbraw/zinc/81/81/49/721818149.db2.gz VFPXEDDIQQUZAS-UHFFFAOYSA-N 1 2 494.039 4.784 20 0 JJADLO FC(F)(F)c1cccc(-c2cc(C(F)(F)N3CC[NH+](C[C@@H]4CCCO4)CC3)c(Cl)nn2)c1 ZINC001165042639 721926123 /nfs/dbraw/zinc/92/61/23/721926123.db2.gz FLEASVQHTHFJAU-INIZCTEOSA-N 1 2 476.877 4.662 20 0 JJADLO c1ccc(C[C@H]2[C@H](OCC3CC3)CCN2c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)cc1 ZINC001165007464 722271255 /nfs/dbraw/zinc/27/12/55/722271255.db2.gz WOTFPODSTOMLSM-WUFINQPMSA-N 1 2 454.618 4.652 20 0 JJADLO c1ccc(C[C@H]2[C@H](OCC3CC3)CCN2c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC001165007464 722271259 /nfs/dbraw/zinc/27/12/59/722271259.db2.gz WOTFPODSTOMLSM-WUFINQPMSA-N 1 2 454.618 4.652 20 0 JJADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1cc(-c2cccc(Br)c2)no1 ZINC001545865171 1064272799 /nfs/dbraw/zinc/27/27/99/1064272799.db2.gz QSOKSOZLQFLLAY-UHFFFAOYSA-N 1 2 455.356 4.810 20 0 JJADLO CC(C)[C@@H]1CCCN1c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001359738205 1064301691 /nfs/dbraw/zinc/30/16/91/1064301691.db2.gz PBUBFNYAKRXDJG-NQIIRXRSSA-N 1 2 464.079 4.569 20 0 JJADLO CC(C)[C@H]1CCCN1c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001359738207 1064301860 /nfs/dbraw/zinc/30/18/60/1064301860.db2.gz PBUBFNYAKRXDJG-WIYYLYMNSA-N 1 2 464.079 4.569 20 0 JJADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC001434866931 1064304472 /nfs/dbraw/zinc/30/44/72/1064304472.db2.gz LHUARXBAVIPXSJ-UHFFFAOYSA-N 1 2 454.317 4.751 20 0 JJADLO CCc1cc(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)ccc1Br ZINC001435050655 1064468133 /nfs/dbraw/zinc/46/81/33/1064468133.db2.gz ADEINHARXZCTEN-UHFFFAOYSA-N 1 2 452.356 4.900 20 0 JJADLO O=C(Cc1cccc(OCc2ccccc2Cl)c1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC001435071031 1064492985 /nfs/dbraw/zinc/49/29/85/1064492985.db2.gz DGGGJRSPISJNGE-UHFFFAOYSA-N 1 2 450.966 4.932 20 0 JJADLO CC(C)Cc1nnc(N2CCO[C@H](C(C)(C)C)C2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001359864898 1064554692 /nfs/dbraw/zinc/55/46/92/1064554692.db2.gz TZGUVUIIMMSBNF-QFIPXVFZSA-N 1 2 454.663 4.552 20 0 JJADLO CC(C)C[C@@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001359883606 1064577867 /nfs/dbraw/zinc/57/78/67/1064577867.db2.gz JJNFXPAQDRQABY-CVDCTZTESA-N 1 2 468.596 4.717 20 0 JJADLO CC(C)C[C@@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001359885735 1064581028 /nfs/dbraw/zinc/58/10/28/1064581028.db2.gz FJXRUAFLHJIVBS-PKTZIBPZSA-N 1 2 483.701 4.748 20 0 JJADLO CC(C)C[C@@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001359885735 1064581041 /nfs/dbraw/zinc/58/10/41/1064581041.db2.gz FJXRUAFLHJIVBS-PKTZIBPZSA-N 1 2 483.701 4.748 20 0 JJADLO CN(CCc1ccccc1)C(=O)c1ccccc1N(C)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC001435214818 1064596260 /nfs/dbraw/zinc/59/62/60/1064596260.db2.gz XNLMIXPTXBQYCR-UHFFFAOYSA-N 1 2 452.558 4.523 20 0 JJADLO CC(C)CCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001359902341 1064614125 /nfs/dbraw/zinc/61/41/25/1064614125.db2.gz NNSUEEHDZCRCOR-HXUWFJFHSA-N 1 2 452.578 4.715 20 0 JJADLO CC(C)CCCn1c(-c2cccnc2)nnc1N1CC[NH+]([C@H](C)c2ccc(F)cc2F)CC1 ZINC001359904779 1064619672 /nfs/dbraw/zinc/61/96/72/1064619672.db2.gz XYRWMFZNLRLOFO-LJQANCHMSA-N 1 2 454.569 4.938 20 0 JJADLO CC(C)CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1([NH+]2CCOCC2)CC1 ZINC001359914821 1064634864 /nfs/dbraw/zinc/63/48/64/1064634864.db2.gz OJSIZULZOOGTHR-UHFFFAOYSA-N 1 2 452.430 4.599 20 0 JJADLO CC(C)CCN(C)c1nnc(COc2ccccc2F)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001359921469 1064647938 /nfs/dbraw/zinc/64/79/38/1064647938.db2.gz JHDAQFFOGUDJKE-UHFFFAOYSA-N 1 2 452.578 4.522 20 0 JJADLO CO[C@@H](CNC(=O)[C@H](c1cccc(Br)c1)[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC001435287334 1064664089 /nfs/dbraw/zinc/66/40/89/1064664089.db2.gz KEZPDEFRTQGEIW-PMACEKPBSA-N 1 2 451.792 4.743 20 0 JJADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC001435298289 1064673500 /nfs/dbraw/zinc/67/35/00/1064673500.db2.gz ULCAJGHUMVTXFW-UHFFFAOYSA-N 1 2 455.400 4.633 20 0 JJADLO CC(C)CCOC1CCN(c2nnc(C(C)(C)C)n2C[C@@H](c2ccccc2)[NH+]2CCOCC2)CC1 ZINC001359955219 1064723768 /nfs/dbraw/zinc/72/37/68/1064723768.db2.gz XUIBSRKMSVSEGZ-VWLOTQADSA-N 1 2 483.701 4.681 20 0 JJADLO Cc1ccc(NC(=O)CSc2ccccc2C(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1 ZINC001435368849 1064727822 /nfs/dbraw/zinc/72/78/22/1064727822.db2.gz RSVIJAYFGMNRLF-UHFFFAOYSA-N 1 2 458.587 4.654 20 0 JJADLO CC(C)CN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H](C)[NH+]1CCOCC1)C1CCCC1 ZINC001359983023 1064759268 /nfs/dbraw/zinc/75/92/68/1064759268.db2.gz KLDQQUPYNSKNCH-SFTDATJTSA-N 1 2 473.637 4.683 20 0 JJADLO CC(C)CN(c1nnc([C@H](C)Oc2ccccc2F)n1CC(C)(C)[NH+]1CCOCC1)C(C)C ZINC001359983811 1064761463 /nfs/dbraw/zinc/76/14/63/1064761463.db2.gz ZCQKEZOCRFABNH-FQEVSTJZSA-N 1 2 461.626 4.539 20 0 JJADLO CC(C)(C)OC(=O)N1CCC[C@H](CCC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC001435586064 1064850201 /nfs/dbraw/zinc/85/02/01/1064850201.db2.gz GFLCXHJPKHAWOX-LJQANCHMSA-N 1 2 450.583 4.968 20 0 JJADLO CC(C)COc1cccc(Cn2c(CC(C)(C)C)nnc2N2CCN(c3cccc[nH+]3)CC2)c1 ZINC001360052232 1064880009 /nfs/dbraw/zinc/88/00/09/1064880009.db2.gz KRZRRNBDFQOYNZ-UHFFFAOYSA-N 1 2 462.642 4.671 20 0 JJADLO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3CCCC[C@@H]3C2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001545892260 1064882789 /nfs/dbraw/zinc/88/27/89/1064882789.db2.gz QYAPDFLTWPPOBC-FCHUYYIVSA-N 1 2 481.689 4.503 20 0 JJADLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cccc(Cn2nc(C)cc2C)c1 ZINC001435625794 1064887203 /nfs/dbraw/zinc/88/72/03/1064887203.db2.gz SJQZCFNDLMUQBV-DCFHFQCYSA-N 1 2 459.638 4.624 20 0 JJADLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cccc(Cn2nc(C)cc2C)c1 ZINC001435625794 1064887209 /nfs/dbraw/zinc/88/72/09/1064887209.db2.gz SJQZCFNDLMUQBV-DCFHFQCYSA-N 1 2 459.638 4.624 20 0 JJADLO C/C=C/c1ccc(OCC(=O)N2CC[N@@H+](Cc3ccc(C)nc3)C[C@@H]2[C@@H](C)CC)c(OC)c1 ZINC001435626299 1064888036 /nfs/dbraw/zinc/88/80/36/1064888036.db2.gz TXIJKDRUKOAVGB-MMXNXPDASA-N 1 2 451.611 4.570 20 0 JJADLO C/C=C/c1ccc(OCC(=O)N2CC[N@H+](Cc3ccc(C)nc3)C[C@@H]2[C@@H](C)CC)c(OC)c1 ZINC001435626299 1064888075 /nfs/dbraw/zinc/88/80/75/1064888075.db2.gz TXIJKDRUKOAVGB-MMXNXPDASA-N 1 2 451.611 4.570 20 0 JJADLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C)c(Br)s1 ZINC001435626927 1064888693 /nfs/dbraw/zinc/88/86/93/1064888693.db2.gz VWMNQSIPJLPTNP-KSSFIOAISA-N 1 2 450.446 4.895 20 0 JJADLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C)c(Br)s1 ZINC001435626927 1064888699 /nfs/dbraw/zinc/88/86/99/1064888699.db2.gz VWMNQSIPJLPTNP-KSSFIOAISA-N 1 2 450.446 4.895 20 0 JJADLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccnc(OC2CCCCC2)c1 ZINC001435626944 1064888991 /nfs/dbraw/zinc/88/89/91/1064888991.db2.gz VXOPMPAJZJAQEW-NLFFAJNJSA-N 1 2 450.627 4.869 20 0 JJADLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccnc(OC2CCCCC2)c1 ZINC001435626944 1064889000 /nfs/dbraw/zinc/88/90/00/1064889000.db2.gz VXOPMPAJZJAQEW-NLFFAJNJSA-N 1 2 450.627 4.869 20 0 JJADLO CC(C)CC(=O)N1CCCC[C@H]1C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC001360071625 1064917469 /nfs/dbraw/zinc/91/74/69/1064917469.db2.gz CMDUSVMHHXQKMA-SANMLTNESA-N 1 2 458.606 4.642 20 0 JJADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)c2ccc(Cl)cc2)C1 ZINC001435745638 1064970178 /nfs/dbraw/zinc/97/01/78/1064970178.db2.gz FFBUBPXNHFXXFV-RMVXJAJNSA-N 1 2 453.797 4.938 20 0 JJADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)c2ccc(Cl)cc2)C1 ZINC001435745638 1064970188 /nfs/dbraw/zinc/97/01/88/1064970188.db2.gz FFBUBPXNHFXXFV-RMVXJAJNSA-N 1 2 453.797 4.938 20 0 JJADLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)c2cc(Br)ccc2Cl)c2ccc(Cl)cc2)C1 ZINC001435745648 1064971021 /nfs/dbraw/zinc/97/10/21/1064971021.db2.gz FLDSVYJREREPRC-QZTJIDSGSA-N 1 2 458.183 4.558 20 0 JJADLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)c2cc(Br)ccc2Cl)c2ccc(Cl)cc2)C1 ZINC001435745648 1064971033 /nfs/dbraw/zinc/97/10/33/1064971033.db2.gz FLDSVYJREREPRC-QZTJIDSGSA-N 1 2 458.183 4.558 20 0 JJADLO Cc1cccc(Oc2ccc(C(=O)N[C@@H](c3ccc(Cl)cc3)[C@@H]3C[N@H+](C)CCO3)nc2)c1 ZINC001435747564 1064971670 /nfs/dbraw/zinc/97/16/70/1064971670.db2.gz KLDFJVQSFWSYFK-ZEQRLZLVSA-N 1 2 451.954 4.637 20 0 JJADLO Cc1cccc(Oc2ccc(C(=O)N[C@@H](c3ccc(Cl)cc3)[C@@H]3C[N@@H+](C)CCO3)nc2)c1 ZINC001435747564 1064971680 /nfs/dbraw/zinc/97/16/80/1064971680.db2.gz KLDFJVQSFWSYFK-ZEQRLZLVSA-N 1 2 451.954 4.637 20 0 JJADLO CC(C)N(Cc1ccco1)c1nnc(Cc2c(F)cccc2F)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001360120734 1065008369 /nfs/dbraw/zinc/00/83/69/1065008369.db2.gz FCPRXIDLOXOIEL-UHFFFAOYSA-N 1 2 466.536 4.664 20 0 JJADLO Cc1cc(Br)cn2cc(CCNC(=O)CCc3ccc(-c4ccccc4)[nH]3)[nH+]c12 ZINC001435848347 1065021436 /nfs/dbraw/zinc/02/14/36/1065021436.db2.gz OIRQGWAFQMDUIW-UHFFFAOYSA-N 1 2 451.368 4.692 20 0 JJADLO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(C)C)C2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001545894098 1065057067 /nfs/dbraw/zinc/05/70/67/1065057067.db2.gz OLNCLJMWGAVQDY-QFIPXVFZSA-N 1 2 481.689 4.503 20 0 JJADLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H](c2c(F)cccc2Cl)N2CCCCC2)CC1 ZINC001435994412 1065098045 /nfs/dbraw/zinc/09/80/45/1065098045.db2.gz ZAUSHCGOEQTQOK-JTSKRJEESA-N 1 2 450.023 4.973 20 0 JJADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cccc(C(=O)Nc3ccccc3)c2)[C@@H](C)C1 ZINC001436018650 1065116713 /nfs/dbraw/zinc/11/67/13/1065116713.db2.gz CQMQBSQVXDRBIC-NRFANRHFSA-N 1 2 457.574 4.684 20 0 JJADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cccc(C(=O)Nc3ccccc3)c2)[C@@H](C)C1 ZINC001436018650 1065116718 /nfs/dbraw/zinc/11/67/18/1065116718.db2.gz CQMQBSQVXDRBIC-NRFANRHFSA-N 1 2 457.574 4.684 20 0 JJADLO CC(C)OCCCn1c(-c2ccccc2Br)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001360386974 1065251141 /nfs/dbraw/zinc/25/11/41/1065251141.db2.gz VVHQZJJMZHAKSX-UHFFFAOYSA-N 1 2 499.457 4.546 20 0 JJADLO CC(C)SCCn1c(-c2ccccc2)nnc1N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC001360417480 1065281577 /nfs/dbraw/zinc/28/15/77/1065281577.db2.gz WXGMISPBINPCDE-OAQYLSRUSA-N 1 2 471.696 4.658 20 0 JJADLO CCCCc1ccc(N2C[C@@H](C(=O)NCc3c(Cl)cccc3-n3cc[nH+]c3)CC2=O)cc1 ZINC001436458211 1065323176 /nfs/dbraw/zinc/32/31/76/1065323176.db2.gz SJKXFGRSSJULCN-IBGZPJMESA-N 1 2 450.970 4.538 20 0 JJADLO CC(C)C[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1nscc1Br ZINC001436521088 1065340526 /nfs/dbraw/zinc/34/05/26/1065340526.db2.gz MYHJFYSYHCEGIS-INIZCTEOSA-N 1 2 456.837 4.932 20 0 JJADLO CC(C)C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1nscc1Br ZINC001436521088 1065340542 /nfs/dbraw/zinc/34/05/42/1065340542.db2.gz MYHJFYSYHCEGIS-INIZCTEOSA-N 1 2 456.837 4.932 20 0 JJADLO C[C@H](c1ccco1)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001360454371 1065351402 /nfs/dbraw/zinc/35/14/02/1065351402.db2.gz IMDZTFTVEQHRNE-MRXNPFEDSA-N 1 2 468.508 4.846 20 0 JJADLO CC[C@H]1CCC[C@]1(C)C(=O)Nc1ccccc1OCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC001436608601 1065396816 /nfs/dbraw/zinc/39/68/16/1065396816.db2.gz HZGMMXUCLXIUOH-FNZWTVRRSA-N 1 2 459.631 4.773 20 0 JJADLO CCOc1c(Br)cc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1OC ZINC000022238275 1065409804 /nfs/dbraw/zinc/40/98/04/1065409804.db2.gz PCIZNTUKWBLMGF-UHFFFAOYSA-N 1 2 454.390 4.551 20 0 JJADLO O=C(c1ccsc1C(F)(F)F)N(CCCn1cc[nH+]c1)c1ccc(Br)cn1 ZINC001436992418 1065490273 /nfs/dbraw/zinc/49/02/73/1065490273.db2.gz WUZHUZFWCJHXCA-UHFFFAOYSA-N 1 2 459.291 4.858 20 0 JJADLO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2ccccc2)n1CCCc1cccc(C)[nH+]1 ZINC001545904211 1065501203 /nfs/dbraw/zinc/50/12/03/1065501203.db2.gz PZFQIZIBXRWQIO-DEOSSOPVSA-N 1 2 460.626 4.874 20 0 JJADLO C[NH+](C)[C@@H](C(=O)Nc1cnc(-c2ccc(Br)s2)nc1)c1cccc(Cl)c1 ZINC001437046986 1065502930 /nfs/dbraw/zinc/50/29/30/1065502930.db2.gz WAXVPMXXWFCADE-MRXNPFEDSA-N 1 2 451.777 4.862 20 0 JJADLO C[C@H](NC(=O)c1cccnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1)C1CCC(F)CC1 ZINC001438045867 1065659434 /nfs/dbraw/zinc/65/94/34/1065659434.db2.gz SBPJYGAOFSUSOU-NLMOZGTASA-N 1 2 459.009 4.704 20 0 JJADLO CC(C)c1ccc(-c2nc(CC(=O)NCc3cc[nH+]c(N4CCSCC4)c3)cs2)cc1 ZINC001438138347 1065677826 /nfs/dbraw/zinc/67/78/26/1065677826.db2.gz RNUIOIOMNFJREJ-UHFFFAOYSA-N 1 2 452.649 4.741 20 0 JJADLO CCN(C(=O)c1cnc2onc(C(C)C)c2c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001360638134 1065701514 /nfs/dbraw/zinc/70/15/14/1065701514.db2.gz XIQBBKQXOHDQAN-UHFFFAOYSA-N 1 2 450.587 4.699 20 0 JJADLO CC(C)(C)OC(=O)N1CCN(c2cc[nH+]c(NC(=O)c3cc(Cl)sc3Cl)c2)CC1 ZINC001438264617 1065704109 /nfs/dbraw/zinc/70/41/09/1065704109.db2.gz AWPOHOQGTYYZOY-UHFFFAOYSA-N 1 2 457.383 4.759 20 0 JJADLO CCOc1cc(-c2ccccc2)sc1C(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC001438559794 1065731056 /nfs/dbraw/zinc/73/10/56/1065731056.db2.gz BURCKDUMVOCRAL-QFIPXVFZSA-N 1 2 450.604 4.753 20 0 JJADLO CCOc1cc(-c2ccccc2)sc1C(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC001438559794 1065731072 /nfs/dbraw/zinc/73/10/72/1065731072.db2.gz BURCKDUMVOCRAL-QFIPXVFZSA-N 1 2 450.604 4.753 20 0 JJADLO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC=C(C(F)(F)F)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001360742167 1065777151 /nfs/dbraw/zinc/77/71/51/1065777151.db2.gz VTKOIFDFZRYSRE-INIZCTEOSA-N 1 2 490.505 4.765 20 0 JJADLO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)C2CCCCC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001360753407 1065799528 /nfs/dbraw/zinc/79/95/28/1065799528.db2.gz CHGCIRNBGBHQFD-RBUKOAKNSA-N 1 2 462.038 4.561 20 0 JJADLO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)C2CCCCC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001360753407 1065799539 /nfs/dbraw/zinc/79/95/39/1065799539.db2.gz CHGCIRNBGBHQFD-RBUKOAKNSA-N 1 2 462.038 4.561 20 0 JJADLO C[C@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)C[C@H]1CC=CCC1)[NH+]1CCOCC1 ZINC001360754500 1065804968 /nfs/dbraw/zinc/80/49/68/1065804968.db2.gz VVPWKTWQCXNZMX-HKBOAZHASA-N 1 2 474.049 4.585 20 0 JJADLO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@H](C)[C@@H]2C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001360755681 1065809819 /nfs/dbraw/zinc/80/98/19/1065809819.db2.gz HWBKNSWMYWRNSB-BZSNNMDCSA-N 1 2 455.006 4.816 20 0 JJADLO O=C(Nc1cccc([C@H]2CCCC(=O)N2)c1)[C@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001439317231 1065814380 /nfs/dbraw/zinc/81/43/80/1065814380.db2.gz AYWBVUUPGMSNMH-IRLDBZIGSA-N 1 2 456.384 4.566 20 0 JJADLO C[NH+](C)Cc1csc(CNC(=O)[C@@H](Oc2cc(Cl)ccc2Cl)c2ccccc2)n1 ZINC001439326730 1065815031 /nfs/dbraw/zinc/81/50/31/1065815031.db2.gz NOULQXQOJTYVMS-FQEVSTJZSA-N 1 2 450.391 4.948 20 0 JJADLO C[C@H](Oc1ccccc1F)c1nnc(N(C)C2CCCCC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001360762525 1065839466 /nfs/dbraw/zinc/83/94/66/1065839466.db2.gz GWYXFQXYIOQUEJ-SFHVURJKSA-N 1 2 452.578 4.835 20 0 JJADLO C[C@@H](Oc1ccccc1F)c1nnc(N(C)CCC(F)F)n1CCc1cn2ccccc2[nH+]1 ZINC001360767495 1065856957 /nfs/dbraw/zinc/85/69/57/1065856957.db2.gz PVHIUPSJBPTMCL-MRXNPFEDSA-N 1 2 458.488 4.539 20 0 JJADLO COc1cc(Cl)c(Br)cc1C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC001360795302 1065909659 /nfs/dbraw/zinc/90/96/59/1065909659.db2.gz ANRVHWSMIUZVIX-UHFFFAOYSA-N 1 2 453.764 4.504 20 0 JJADLO Cn1c[nH+]cc1C1CCN(C(=O)c2cccnc2Oc2ccc(F)cc2Br)CC1 ZINC001440171027 1065920030 /nfs/dbraw/zinc/92/00/30/1065920030.db2.gz PHGNQNKIBPTOFS-UHFFFAOYSA-N 1 2 459.319 4.529 20 0 JJADLO O=Cc1ccc(-c2ccc(C(=O)N3CC[NH+](CCOc4ccc(Cl)cc4)CC3)cc2)s1 ZINC001440485706 1065943588 /nfs/dbraw/zinc/94/35/88/1065943588.db2.gz SQVRREYMCAHLCT-UHFFFAOYSA-N 1 2 454.979 4.718 20 0 JJADLO O=C(N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)C(F)(F)c1ccccc1Br ZINC001440873313 1065987547 /nfs/dbraw/zinc/98/75/47/1065987547.db2.gz ZPSDPBUFZIZWMV-UHFFFAOYSA-N 1 2 457.746 4.929 20 0 JJADLO O=C(N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)C(F)(F)c1ccccc1Br ZINC001440873313 1065987561 /nfs/dbraw/zinc/98/75/61/1065987561.db2.gz ZPSDPBUFZIZWMV-UHFFFAOYSA-N 1 2 457.746 4.929 20 0 JJADLO Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@H](C(C)(C)C)C3)n2C[C@@H](C)[NH+]2CCOCC2)c1C ZINC001360868745 1065994019 /nfs/dbraw/zinc/99/40/19/1065994019.db2.gz BIIVTXCHFISMQE-YMPZKCBVSA-N 1 2 469.674 4.628 20 0 JJADLO COc1cc(CN(C)C(=O)Cc2c[nH+]cn2Cc2ccccc2)ccc1OCc1ccccc1 ZINC001441027732 1066002219 /nfs/dbraw/zinc/00/22/19/1066002219.db2.gz HEGSBCSZWZFKBE-UHFFFAOYSA-N 1 2 455.558 4.720 20 0 JJADLO C[C@H](OCc1ccncc1)C(=O)N1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC001441114659 1066008246 /nfs/dbraw/zinc/00/82/46/1066008246.db2.gz CTCHDYHSPRQRRC-SFHVURJKSA-N 1 2 456.011 4.713 20 0 JJADLO Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2C[C@@H](C)[NH+]2CCOCC2)c1C ZINC001360875573 1066018674 /nfs/dbraw/zinc/01/86/74/1066018674.db2.gz VSIZBKWLJGDYRG-HMXCVIKNSA-N 1 2 495.590 4.534 20 0 JJADLO CC(C)N(CCC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C(=O)OC(C)(C)C ZINC001441289259 1066022793 /nfs/dbraw/zinc/02/27/93/1066022793.db2.gz LRSUFNXUASGFBR-IBGZPJMESA-N 1 2 456.002 4.768 20 0 JJADLO COc1ccccc1-n1ncc(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1C ZINC001441315693 1066026140 /nfs/dbraw/zinc/02/61/40/1066026140.db2.gz DTIRTKHOFGNLBP-OAQYLSRUSA-N 1 2 456.949 4.549 20 0 JJADLO COc1cc(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)c(C(=O)N2[C@H](C)CCC[C@H]2C)cc1OC ZINC001441321927 1066027838 /nfs/dbraw/zinc/02/78/38/1066027838.db2.gz LWFRUVDYDRISAB-OPYAIIAOSA-N 1 2 456.587 4.529 20 0 JJADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CCc1c2cccc(Br)c2[nH]c1-c1ccccc1 ZINC001441377800 1066036310 /nfs/dbraw/zinc/03/63/10/1066036310.db2.gz XMWJHXWVOJHWAW-INIZCTEOSA-N 1 2 451.368 4.931 20 0 JJADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001360906172 1066060434 /nfs/dbraw/zinc/06/04/34/1066060434.db2.gz NGTSFYLOFPFPBX-OAQYLSRUSA-N 1 2 458.647 4.574 20 0 JJADLO CCN(C(=O)c1ccc(NC(=O)C(C)C)cc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001360906594 1066060721 /nfs/dbraw/zinc/06/07/21/1066060721.db2.gz HHUZPWAZQRGNHC-UHFFFAOYSA-N 1 2 451.615 4.634 20 0 JJADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3CCCCN3C(=O)OCc3ccccc3)n2)C1 ZINC001442024493 1066085694 /nfs/dbraw/zinc/08/56/94/1066085694.db2.gz XCAXIGNUETYNBE-NQIIRXRSSA-N 1 2 456.612 4.505 20 0 JJADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3CCCCN3C(=O)OCc3ccccc3)n2)C1 ZINC001442024493 1066085706 /nfs/dbraw/zinc/08/57/06/1066085706.db2.gz XCAXIGNUETYNBE-NQIIRXRSSA-N 1 2 456.612 4.505 20 0 JJADLO Cc1ncsc1CN(C)c1nnc(-c2ccccc2Cl)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001360935152 1066094495 /nfs/dbraw/zinc/09/44/95/1066094495.db2.gz CAWQWOQDBKOSPP-UHFFFAOYSA-N 1 2 454.003 4.509 20 0 JJADLO CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC001442229627 1066105082 /nfs/dbraw/zinc/10/50/82/1066105082.db2.gz CALXTJPIMCZUQC-HXUWFJFHSA-N 1 2 451.468 4.777 20 0 JJADLO Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(NC(=O)[C@H](CC(C)C)n3cc[nH+]c3)cc2Cl)n1 ZINC001442301649 1066114096 /nfs/dbraw/zinc/11/40/96/1066114096.db2.gz ISNFYWFZMUWTNZ-UWJYYQICSA-N 1 2 456.978 4.775 20 0 JJADLO Cc1cccc(Nc2ccccc2C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)c1C ZINC001442335991 1066117623 /nfs/dbraw/zinc/11/76/23/1066117623.db2.gz ZPCAPGGWDZRSHU-UHFFFAOYSA-N 1 2 459.590 4.688 20 0 JJADLO Cc1ccc2[nH+]c(CSCC(=O)NCc3cccc(NC(=O)C4CCCCC4)c3)cn2c1 ZINC001442480546 1066130903 /nfs/dbraw/zinc/13/09/03/1066130903.db2.gz VGHNJYIOYJBJRC-UHFFFAOYSA-N 1 2 450.608 4.711 20 0 JJADLO Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC001442609889 1066144965 /nfs/dbraw/zinc/14/49/65/1066144965.db2.gz OOXZWDCTOBDLDA-LJQANCHMSA-N 1 2 457.578 4.972 20 0 JJADLO C[C@H](Nc1ccc(NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)cc1)c1ccccc1 ZINC001442711006 1066154192 /nfs/dbraw/zinc/15/41/92/1066154192.db2.gz TZLBSGKYQWZWNV-DFBJGRDBSA-N 1 2 459.594 4.829 20 0 JJADLO C[C@H](Nc1ccc(NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)cc1)c1ccccc1 ZINC001442711006 1066154198 /nfs/dbraw/zinc/15/41/98/1066154198.db2.gz TZLBSGKYQWZWNV-DFBJGRDBSA-N 1 2 459.594 4.829 20 0 JJADLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NC1(c2cccc(Br)c2)CCOCC1 ZINC001442719815 1066155282 /nfs/dbraw/zinc/15/52/82/1066155282.db2.gz HBOSQDWXIXNJHY-HXUWFJFHSA-N 1 2 454.368 4.516 20 0 JJADLO Cc1ncc(C[NH+]2CCN(c3nnc(CC(C)C)n3C[C@@H](C)c3cccc(C)c3)CC2)s1 ZINC001361007427 1066187055 /nfs/dbraw/zinc/18/70/55/1066187055.db2.gz KOKUNZKVKAWDNG-HXUWFJFHSA-N 1 2 452.672 4.676 20 0 JJADLO Cc1occc1CN(C)c1nnc(COc2cc(C)cc(C)c2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001361021525 1066215267 /nfs/dbraw/zinc/21/52/67/1066215267.db2.gz YCYLMBSRCMMVHW-UHFFFAOYSA-N 1 2 460.582 4.521 20 0 JJADLO O=C(Cc1ccc(OCCOc2ccccc2)cc1)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001454264200 1066260023 /nfs/dbraw/zinc/26/00/23/1066260023.db2.gz JKUJHIZTKRRWNR-RUZDIDTESA-N 1 2 450.966 4.513 20 0 JJADLO CCC[N@@H+]1Cc2cccc(NC(=O)CCCCCn3c(=O)c4ccccc4[nH]c3=S)c2C1 ZINC001443094444 1066265954 /nfs/dbraw/zinc/26/59/54/1066265954.db2.gz XOOLOORBFCIYBO-UHFFFAOYSA-N 1 2 450.608 4.610 20 0 JJADLO CCC[N@H+]1Cc2cccc(NC(=O)CCCCCn3c(=O)c4ccccc4[nH]c3=S)c2C1 ZINC001443094444 1066265968 /nfs/dbraw/zinc/26/59/68/1066265968.db2.gz XOOLOORBFCIYBO-UHFFFAOYSA-N 1 2 450.608 4.610 20 0 JJADLO COc1cccc([C@@H]2CN(C(=O)[C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)CC[NH2+]2)c1 ZINC001454479566 1066290512 /nfs/dbraw/zinc/29/05/12/1066290512.db2.gz WKWNKNRJFBXIDL-UPVQGACJSA-N 1 2 454.929 4.781 20 0 JJADLO COc1cccc([C@@H]2CN(C(=O)[C@H](Oc3ccc(F)cc3Cl)c3ccccc3)CC[NH2+]2)c1 ZINC001454479565 1066290697 /nfs/dbraw/zinc/29/06/97/1066290697.db2.gz WKWNKNRJFBXIDL-LADGPHEKSA-N 1 2 454.929 4.781 20 0 JJADLO Cc1sc2nc(CS[C@@H](C)C(=O)Nc3ccc(-n4cc[nH+]c4)c(C)c3)[nH]c(=O)c2c1C ZINC001443312191 1066294657 /nfs/dbraw/zinc/29/46/57/1066294657.db2.gz LNINPDIOZZOAOR-HNNXBMFYSA-N 1 2 453.593 4.768 20 0 JJADLO CC[C@@]1(C)CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCc2cccc(C)[nH+]2)C1 ZINC001546062752 1066296626 /nfs/dbraw/zinc/29/66/26/1066296626.db2.gz WNHFAAJXHITARM-SANMLTNESA-N 1 2 481.044 4.824 20 0 JJADLO CC(C)C[C@H](CC(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)NC(=O)OC(C)(C)C ZINC001443388228 1066304823 /nfs/dbraw/zinc/30/48/23/1066304823.db2.gz RDZAPPDJWAESLT-LJQANCHMSA-N 1 2 457.619 4.817 20 0 JJADLO CC(C)(C)OC(=O)C=Cc1cc(C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)co1 ZINC001443390332 1066305417 /nfs/dbraw/zinc/30/54/17/1066305417.db2.gz ZZGQDDZOFJXERZ-NTMALXAHSA-N 1 2 450.539 4.749 20 0 JJADLO O=C(NCCCCNc1cccc[nH+]1)[C@@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 ZINC001443407205 1066307254 /nfs/dbraw/zinc/30/72/54/1066307254.db2.gz LLWGGEXVTAURGN-SHQCIBLASA-N 1 2 456.590 4.570 20 0 JJADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC[C@H](C)Sc1ccc(Br)cc1 ZINC001443534392 1066325387 /nfs/dbraw/zinc/32/53/87/1066325387.db2.gz ZAOQKTXVNPEZHB-NSHDSACASA-N 1 2 454.340 4.682 20 0 JJADLO Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@H](C)[C@@H](C)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001361087225 1066325446 /nfs/dbraw/zinc/32/54/46/1066325446.db2.gz CLHPRSDWRFBPIG-PMACEKPBSA-N 1 2 483.060 4.853 20 0 JJADLO Cc1cc(Cl)ccc1OCCCc1nnc(N2C[C@H](C)[C@H](C)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001361087224 1066325790 /nfs/dbraw/zinc/32/57/90/1066325790.db2.gz CLHPRSDWRFBPIG-BGYRXZFFSA-N 1 2 483.060 4.853 20 0 JJADLO CC[C@@]1(C)CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCNc2cccc[nH+]2)C1 ZINC001546064843 1066326871 /nfs/dbraw/zinc/32/68/71/1066326871.db2.gz XIVWAJGQJQRMBF-NRFANRHFSA-N 1 2 458.408 4.559 20 0 JJADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)c2cnc(-c3ccccc3)nc2C)cc1 ZINC001443679929 1066348958 /nfs/dbraw/zinc/34/89/58/1066348958.db2.gz WRENZVRKEXBJFV-UHFFFAOYSA-N 1 2 455.562 4.780 20 0 JJADLO Cc1cc(N2CCN(c3nnc(C(C)C)n3Cc3ccc(F)c(Cl)c3)CC2)nc(C(C)C)[nH+]1 ZINC001361102721 1066352194 /nfs/dbraw/zinc/35/21/94/1066352194.db2.gz CXAUEMPYNKUSSW-UHFFFAOYSA-N 1 2 472.012 4.791 20 0 JJADLO Cc1cnc([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)s1 ZINC001361105616 1066354815 /nfs/dbraw/zinc/35/48/15/1066354815.db2.gz QBJSUFZJUJTAMO-SFHVURJKSA-N 1 2 496.729 4.984 20 0 JJADLO Cc1cc(N2CCN(c3nnc(-c4cccc(Br)c4)n3CC(C)C)CC2)nc(C(C)C)[nH+]1 ZINC001361105822 1066355089 /nfs/dbraw/zinc/35/50/89/1066355089.db2.gz YJBLTFZQHUESIL-UHFFFAOYSA-N 1 2 498.473 4.912 20 0 JJADLO Cc1cc(N2CCN(c3nnc(CC(C)(C)C)n3CCCCOC(C)C)CC2)nc(C(C)C)[nH+]1 ZINC001361105849 1066355152 /nfs/dbraw/zinc/35/51/52/1066355152.db2.gz ZSDSEKRALGFKGS-UHFFFAOYSA-N 1 2 471.694 4.620 20 0 JJADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3ccc(Cl)cc3NCC(F)(F)F)CC2)c1 ZINC001443726052 1066357948 /nfs/dbraw/zinc/35/79/48/1066357948.db2.gz DOSBDDRQBKWFIN-HNNXBMFYSA-N 1 2 455.908 4.842 20 0 JJADLO Cc1[nH]c(-c2ccc(NC(=O)c3cccnc3SCc3ccc(C(N)=O)cc3)cc2)[nH+]c1C ZINC001455249219 1066374484 /nfs/dbraw/zinc/37/44/84/1066374484.db2.gz SJVUQCKOJINFOY-UHFFFAOYSA-N 1 2 457.559 4.732 20 0 JJADLO Cc1ccc(C(C)C)c(OCc2nnc(N(C)C[C@@H]3CCCCO3)n2Cc2ccc(N(C)C)[nH+]c2)c1 ZINC001361123971 1066376144 /nfs/dbraw/zinc/37/61/44/1066376144.db2.gz RZVSDGGQTJBHPA-QHCPKHFHSA-N 1 2 492.668 4.804 20 0 JJADLO Cc1ccc(C(C)C)c(OCc2nnc(N(C)Cc3ccco3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)c1 ZINC001361124208 1066378042 /nfs/dbraw/zinc/37/80/42/1066378042.db2.gz ZVTHCLPXBIKTQX-UHFFFAOYSA-N 1 2 494.684 4.544 20 0 JJADLO Cc1ccc(C(C)C)c(OCc2nnc(N(C)Cc3ccco3)n2CC[N@H+]2CCN(C)C(C)(C)C2)c1 ZINC001361124208 1066378058 /nfs/dbraw/zinc/37/80/58/1066378058.db2.gz ZVTHCLPXBIKTQX-UHFFFAOYSA-N 1 2 494.684 4.544 20 0 JJADLO C/C=C\[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC001443898117 1066382851 /nfs/dbraw/zinc/38/28/51/1066382851.db2.gz TYBXGVLMAGCFFN-YMHVLGROSA-N 1 2 480.024 4.619 20 0 JJADLO C/C=C\[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC001443898117 1066382865 /nfs/dbraw/zinc/38/28/65/1066382865.db2.gz TYBXGVLMAGCFFN-YMHVLGROSA-N 1 2 480.024 4.619 20 0 JJADLO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@H]3C(C)C)n2CC[N@@H+]2CCN(C)C(C)(C)C2)c1 ZINC001361128530 1066392404 /nfs/dbraw/zinc/39/24/04/1066392404.db2.gz YNSXEDDQONGZOD-VWLOTQADSA-N 1 2 496.744 4.940 20 0 JJADLO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@H]3C(C)C)n2CC[N@H+]2CCN(C)C(C)(C)C2)c1 ZINC001361128530 1066392421 /nfs/dbraw/zinc/39/24/21/1066392421.db2.gz YNSXEDDQONGZOD-VWLOTQADSA-N 1 2 496.744 4.940 20 0 JJADLO CN(C)c1ccc([NH+]2CCC(NC(=O)c3ccc(Oc4ccc(Cl)cc4)cn3)CC2)cc1 ZINC001361128884 1066393361 /nfs/dbraw/zinc/39/33/61/1066393361.db2.gz JAQBSNSBMLUHMN-UHFFFAOYSA-N 1 2 450.970 4.992 20 0 JJADLO CN(C)c1ccc([NH+]2CCC(NC(=O)c3cc(-c4ccccc4C(F)(F)F)on3)CC2)cc1 ZINC001361129275 1066393516 /nfs/dbraw/zinc/39/35/16/1066393516.db2.gz TXVRRZYOCLYMBU-UHFFFAOYSA-N 1 2 458.484 4.825 20 0 JJADLO Cc1ccc(C(C)C)c(OCc2nnc(N3CCN(c4cc[nH+]c(C)n4)CC3)n2CCC(C)(F)F)c1 ZINC001361129692 1066393578 /nfs/dbraw/zinc/39/35/78/1066393578.db2.gz BRHUBGKALZTGNW-UHFFFAOYSA-N 1 2 499.610 4.759 20 0 JJADLO Cc1ccc(C)c(OCc2nnc(N(C)[C@H](C)c3cccs3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)c1 ZINC001361144572 1066426948 /nfs/dbraw/zinc/42/69/48/1066426948.db2.gz JPDLTEHIFJORAL-JOCHJYFZSA-N 1 2 496.725 4.759 20 0 JJADLO Cc1ccc(C)c(OCc2nnc(N(C)[C@H](C)c3cccs3)n2CC[N@H+]2CCN(C)C(C)(C)C2)c1 ZINC001361144572 1066426955 /nfs/dbraw/zinc/42/69/55/1066426955.db2.gz JPDLTEHIFJORAL-JOCHJYFZSA-N 1 2 496.725 4.759 20 0 JJADLO Cc1ccc(C)c(OCc2nnc(N(C)CC(C)C)n2Cc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC001361145937 1066430875 /nfs/dbraw/zinc/43/08/75/1066430875.db2.gz NDHZTADCROTWNS-UHFFFAOYSA-N 1 2 462.642 5.000 20 0 JJADLO CCCN(C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC001444509020 1066470121 /nfs/dbraw/zinc/47/01/21/1066470121.db2.gz PXFJLQXROMVVFY-QRWLVFNGSA-N 1 2 453.414 4.790 20 0 JJADLO CCCN(C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC001444509020 1066470132 /nfs/dbraw/zinc/47/01/32/1066470132.db2.gz PXFJLQXROMVVFY-QRWLVFNGSA-N 1 2 453.414 4.790 20 0 JJADLO O=C(Nc1nc2ccccc2n1CCCn1cc[nH+]c1)c1c(Cl)cccc1Br ZINC001456034921 1066485928 /nfs/dbraw/zinc/48/59/28/1066485928.db2.gz FLBWZDWEXOHQAJ-UHFFFAOYSA-N 1 2 458.747 4.991 20 0 JJADLO O=C(NCCCNc1cccc[nH+]1)c1cccnc1SCc1ccc(Br)cc1 ZINC001444659759 1066489669 /nfs/dbraw/zinc/48/96/69/1066489669.db2.gz ACGORUFKNPVJBW-UHFFFAOYSA-N 1 2 457.397 4.763 20 0 JJADLO CC[C@@]1(C)CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCNc2cccc[nH+]2)C1 ZINC001546079711 1066514614 /nfs/dbraw/zinc/51/46/14/1066514614.db2.gz RZUUUKJNKDSQMI-UNVFRBQDSA-N 1 2 483.661 4.572 20 0 JJADLO Cc1cccn2cc(CCNC(=O)[C@H](C)SCc3ncc(-c4ccc(Cl)cc4)o3)[nH+]c12 ZINC001361191821 1066519362 /nfs/dbraw/zinc/51/93/62/1066519362.db2.gz AHJRVNBGQUBUSF-INIZCTEOSA-N 1 2 454.983 4.932 20 0 JJADLO C[C@@H](c1cccc(NC(=O)[C@H](CC2CCCCC2)NC(=O)OC(C)(C)C)c1)[NH+]1CCOCC1 ZINC001456181722 1066531496 /nfs/dbraw/zinc/53/14/96/1066531496.db2.gz WDOLYFDPNXPNPL-CVDCTZTESA-N 1 2 459.631 4.882 20 0 JJADLO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(-c3nc4cccc(Cl)c4s3)cc2)C1 ZINC001445084888 1066538122 /nfs/dbraw/zinc/53/81/22/1066538122.db2.gz XSUTWXUXTXPORO-MRXNPFEDSA-N 1 2 457.983 4.830 20 0 JJADLO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(-c3nc4cccc(Cl)c4s3)cc2)C1 ZINC001445084888 1066538135 /nfs/dbraw/zinc/53/81/35/1066538135.db2.gz XSUTWXUXTXPORO-MRXNPFEDSA-N 1 2 457.983 4.830 20 0 JJADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc([C@H](C)Sc2ccccc2)cc1 ZINC001445363890 1066562782 /nfs/dbraw/zinc/56/27/82/1066562782.db2.gz HJWQLISCYSWOMX-MBSDFSHPSA-N 1 2 450.608 4.975 20 0 JJADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc([C@H](C)Sc2ccccc2)cc1 ZINC001445363890 1066562793 /nfs/dbraw/zinc/56/27/93/1066562793.db2.gz HJWQLISCYSWOMX-MBSDFSHPSA-N 1 2 450.608 4.975 20 0 JJADLO Cc1ccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(N(C)C)[nH+]c2)s1 ZINC001361251214 1066598349 /nfs/dbraw/zinc/59/83/49/1066598349.db2.gz JMPFNVQVYBHARY-UHFFFAOYSA-N 1 2 454.003 4.509 20 0 JJADLO Cc1cccc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)c1I ZINC000033231116 1066647053 /nfs/dbraw/zinc/64/70/53/1066647053.db2.gz UJMHBEOGGHYBJC-UHFFFAOYSA-N 1 2 489.382 4.867 20 0 JJADLO Cc1cccc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)c1I ZINC000033231116 1066647067 /nfs/dbraw/zinc/64/70/67/1066647067.db2.gz UJMHBEOGGHYBJC-UHFFFAOYSA-N 1 2 489.382 4.867 20 0 JJADLO CCN(C(=O)C[C@@H]1C[C@H]1c1ccc(OC)cc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001456683481 1066665859 /nfs/dbraw/zinc/66/58/59/1066665859.db2.gz CUYDBWXWTXDRDI-URXFXBBRSA-N 1 2 450.627 4.928 20 0 JJADLO Cc1ccc(CNC(=O)[C@@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)c(O[C@@H](C)CC(C)C)c1 ZINC001446146078 1066666451 /nfs/dbraw/zinc/66/64/51/1066666451.db2.gz OSDZFZDZYFXOMN-FCHUYYIVSA-N 1 2 455.618 4.774 20 0 JJADLO CCCOc1ccc(C(=O)c2ccccc2C(=O)N2CC[N@H+](CC)[C@H](C)C2)cc1OCCC ZINC001446195348 1066674345 /nfs/dbraw/zinc/67/43/45/1066674345.db2.gz NMCXYSYXBKMPCK-HXUWFJFHSA-N 1 2 452.595 4.661 20 0 JJADLO CCCOc1ccc(C(=O)c2ccccc2C(=O)N2CC[N@@H+](CC)[C@H](C)C2)cc1OCCC ZINC001446195348 1066674349 /nfs/dbraw/zinc/67/43/49/1066674349.db2.gz NMCXYSYXBKMPCK-HXUWFJFHSA-N 1 2 452.595 4.661 20 0 JJADLO Cc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC001446298213 1066687721 /nfs/dbraw/zinc/68/77/21/1066687721.db2.gz XZHZPCUISNGQNF-HSZRJFAPSA-N 1 2 452.599 4.653 20 0 JJADLO CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)c2ccccc21 ZINC001446298763 1066688396 /nfs/dbraw/zinc/68/83/96/1066688396.db2.gz JBEAOJJRMZXBIL-OAQYLSRUSA-N 1 2 450.583 4.617 20 0 JJADLO Cc1cn2c([nH+]1)[C@H](Cn1c(C(C)C)nnc1N(C)Cc1ccc(Br)cc1)CCC2 ZINC001492628807 1066700164 /nfs/dbraw/zinc/70/01/64/1066700164.db2.gz NMALHRBLCJXKCM-SFHVURJKSA-N 1 2 457.420 4.883 20 0 JJADLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC001446520142 1066714763 /nfs/dbraw/zinc/71/47/63/1066714763.db2.gz YPHCGKDCPPXFSV-OSPHWJPCSA-N 1 2 452.002 4.806 20 0 JJADLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC001446520142 1066714773 /nfs/dbraw/zinc/71/47/73/1066714773.db2.gz YPHCGKDCPPXFSV-OSPHWJPCSA-N 1 2 452.002 4.806 20 0 JJADLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(-c2cccc(Cl)c2)n[nH]1 ZINC001545991708 1066766865 /nfs/dbraw/zinc/76/68/65/1066766865.db2.gz XJXASUSSLJPGFM-XDHUDOTRSA-N 1 2 452.002 4.806 20 0 JJADLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(-c2cccc(Cl)c2)n[nH]1 ZINC001545991708 1066766874 /nfs/dbraw/zinc/76/68/74/1066766874.db2.gz XJXASUSSLJPGFM-XDHUDOTRSA-N 1 2 452.002 4.806 20 0 JJADLO O=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)c1ccc(Br)c(O)c1 ZINC001457564265 1066862676 /nfs/dbraw/zinc/86/26/76/1066862676.db2.gz ZEXWFPFNZQJYLY-LJQANCHMSA-N 1 2 457.393 4.746 20 0 JJADLO O=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)c1ccc(Br)c(O)c1 ZINC001457564265 1066862689 /nfs/dbraw/zinc/86/26/89/1066862689.db2.gz ZEXWFPFNZQJYLY-LJQANCHMSA-N 1 2 457.393 4.746 20 0 JJADLO C[C@H](NC(=O)[C@@H]1[C@@H]2CCCC[C@@H]2CCN1C(=O)OC(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC001457724734 1066905298 /nfs/dbraw/zinc/90/52/98/1066905298.db2.gz KVOAKENOZOZOKV-WJFJTQNHSA-N 1 2 452.599 4.865 20 0 JJADLO CN(CC(C)(C)C)C(=O)c1cccc(C(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)c1 ZINC001448508415 1066935160 /nfs/dbraw/zinc/93/51/60/1066935160.db2.gz VIOURWJTSABBQT-NRFANRHFSA-N 1 2 450.627 4.863 20 0 JJADLO CN(CC(C)(C)C)C(=O)c1cccc(C(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)c1 ZINC001448508415 1066935167 /nfs/dbraw/zinc/93/51/67/1066935167.db2.gz VIOURWJTSABBQT-NRFANRHFSA-N 1 2 450.627 4.863 20 0 JJADLO Cc1nc(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)sc1Cc1ccc(F)c(F)c1F ZINC001448610338 1066941497 /nfs/dbraw/zinc/94/14/97/1066941497.db2.gz SCMNVMYGYDGRQW-UHFFFAOYSA-N 1 2 456.493 4.886 20 0 JJADLO Cc1nnc(N2CC[NH+]([C@@H](C)c3ccc(F)cc3F)CC2)n1CCc1ccc(Br)s1 ZINC001492898474 1066960012 /nfs/dbraw/zinc/96/00/12/1066960012.db2.gz LNQXUVGUWQRZOF-AWEZNQCLSA-N 1 2 496.425 4.815 20 0 JJADLO COC(=O)c1sc(N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)nc1Cl ZINC001458067896 1066966136 /nfs/dbraw/zinc/96/61/36/1066966136.db2.gz INAUATBXTOEXFC-UHFFFAOYSA-N 1 2 451.976 4.773 20 0 JJADLO CC[C@@H](c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1Cc1ccc(N(CC)CC)[nH+]c1)c1ccccc1 ZINC001545731288 1066990770 /nfs/dbraw/zinc/99/07/70/1066990770.db2.gz MISHDJMRBZXXCR-ZFGGDYGUSA-N 1 2 462.642 4.723 20 0 JJADLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)COc1ccc(Cl)c(Cl)c1 ZINC001458155854 1066991255 /nfs/dbraw/zinc/99/12/55/1066991255.db2.gz SNRPEUAUWXIQAA-AOMKIAJQSA-N 1 2 450.410 4.835 20 0 JJADLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)COc1ccc(Cl)c(Cl)c1 ZINC001458155854 1066991270 /nfs/dbraw/zinc/99/12/70/1066991270.db2.gz SNRPEUAUWXIQAA-AOMKIAJQSA-N 1 2 450.410 4.835 20 0 JJADLO O=C(c1ccc2ccc(Cl)cc2n1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC001449313056 1066998486 /nfs/dbraw/zinc/99/84/86/1066998486.db2.gz SENUBWWBKKAKEC-UHFFFAOYSA-N 1 2 459.731 4.783 20 0 JJADLO OC[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2nc3c(cccc3Br)s2)CC1 ZINC001458185258 1066999698 /nfs/dbraw/zinc/99/96/98/1066999698.db2.gz ZMJPXNBMRFCJGD-INIZCTEOSA-N 1 2 452.805 4.568 20 0 JJADLO OC[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2nc3c(cccc3Br)s2)CC1 ZINC001458185267 1066999799 /nfs/dbraw/zinc/99/97/99/1066999799.db2.gz ZMJPXNBMRFCJGD-MRXNPFEDSA-N 1 2 452.805 4.568 20 0 JJADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c(C)c1 ZINC001458185439 1066999860 /nfs/dbraw/zinc/99/98/60/1066999860.db2.gz XHTLYTMDIUJLHH-FYYLOGMGSA-N 1 2 454.615 4.785 20 0 JJADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(C)c1 ZINC001458185454 1067000246 /nfs/dbraw/zinc/00/02/46/1067000246.db2.gz XHTLYTMDIUJLHH-JTHBVZDNSA-N 1 2 454.615 4.785 20 0 JJADLO CCCOc1ccc(C(=O)c2ccccc2C(=O)N2CC[N@H+](CC)C[C@H]2C)cc1OCCC ZINC001449340780 1067001560 /nfs/dbraw/zinc/00/15/60/1067001560.db2.gz WPQZOLGDQGBFRI-HXUWFJFHSA-N 1 2 452.595 4.661 20 0 JJADLO CCCOc1ccc(C(=O)c2ccccc2C(=O)N2CC[N@@H+](CC)C[C@H]2C)cc1OCCC ZINC001449340780 1067001570 /nfs/dbraw/zinc/00/15/70/1067001570.db2.gz WPQZOLGDQGBFRI-HXUWFJFHSA-N 1 2 452.595 4.661 20 0 JJADLO CC[C@@H](c1nnc(N2CCC[C@H](CNC(C)=O)C2)n1CCCc1cccc(C)[nH+]1)c1ccccc1 ZINC001545746362 1067014268 /nfs/dbraw/zinc/01/42/68/1067014268.db2.gz NQBRRQPDWWTZQC-ZEQKJWHPSA-N 1 2 474.653 4.509 20 0 JJADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N(C)[C@H](CC)CSC)c2c1C ZINC001458281324 1067020442 /nfs/dbraw/zinc/02/04/42/1067020442.db2.gz LUNVKBSUPMHNJF-MRXNPFEDSA-N 1 2 450.674 4.740 20 0 JJADLO Cc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)cc1Oc1ccncc1 ZINC001458451321 1067065208 /nfs/dbraw/zinc/06/52/08/1067065208.db2.gz GSWMWMKQDZJEPL-RPWUZVMVSA-N 1 2 451.954 4.637 20 0 JJADLO Cc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)cc1Oc1ccncc1 ZINC001458451321 1067065221 /nfs/dbraw/zinc/06/52/21/1067065221.db2.gz GSWMWMKQDZJEPL-RPWUZVMVSA-N 1 2 451.954 4.637 20 0 JJADLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)CCCOc2ccc3c(c2)CCCC3)c2ccc(Cl)cc2)C1 ZINC001458453761 1067067234 /nfs/dbraw/zinc/06/72/34/1067067234.db2.gz MNFZPZNFBWXYFK-RSXGOPAZSA-N 1 2 457.014 4.566 20 0 JJADLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)CCCOc2ccc3c(c2)CCCC3)c2ccc(Cl)cc2)C1 ZINC001458453761 1067067247 /nfs/dbraw/zinc/06/72/47/1067067247.db2.gz MNFZPZNFBWXYFK-RSXGOPAZSA-N 1 2 457.014 4.566 20 0 JJADLO CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[N@H+](Cc2ccc(Cl)cc2)C[C@@H]1CC(C)C ZINC001450288987 1067069506 /nfs/dbraw/zinc/06/95/06/1067069506.db2.gz ARXJXSNLXFQCQZ-LEWJYISDSA-N 1 2 452.039 4.702 20 0 JJADLO CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[N@@H+](Cc2ccc(Cl)cc2)C[C@@H]1CC(C)C ZINC001450288987 1067069515 /nfs/dbraw/zinc/06/95/15/1067069515.db2.gz ARXJXSNLXFQCQZ-LEWJYISDSA-N 1 2 452.039 4.702 20 0 JJADLO CCC(CC)(Cn1c(-c2ccccc2F)nnc1N1CC[NH+](Cc2cc(C)no2)CC1)SC ZINC001545777718 1067071978 /nfs/dbraw/zinc/07/19/78/1067071978.db2.gz KHHXYUJERWIQMW-UHFFFAOYSA-N 1 2 472.634 4.625 20 0 JJADLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3ccc(NC(=O)OC(C)(C)C)cc3O)CC2)cc1 ZINC001450527324 1067086253 /nfs/dbraw/zinc/08/62/53/1067086253.db2.gz WDTPGKNUIBNSJV-UHFFFAOYSA-N 1 2 453.583 4.821 20 0 JJADLO C[C@@H](c1ccccc1)n1c(=O)c2cc(Br)ccc2nc1SCc1c[nH+]cn1C ZINC001458827815 1067160376 /nfs/dbraw/zinc/16/03/76/1067160376.db2.gz UOUQKGHFEBUGNF-AWEZNQCLSA-N 1 2 455.381 4.794 20 0 JJADLO CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccc(F)cc2)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001545826850 1067176767 /nfs/dbraw/zinc/17/67/67/1067176767.db2.gz VEWDMLNQGNBTOG-ICSRJNTNSA-N 1 2 481.620 4.616 20 0 JJADLO COC(=O)c1cc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)ccc1N1CCCCC1 ZINC001451734090 1067189671 /nfs/dbraw/zinc/18/96/71/1067189671.db2.gz CPNIYNGXYMLXNP-DEOSSOPVSA-N 1 2 453.558 4.596 20 0 JJADLO COC(=O)c1cc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)ccc1N1CCCCC1 ZINC001451734090 1067189674 /nfs/dbraw/zinc/18/96/74/1067189674.db2.gz CPNIYNGXYMLXNP-DEOSSOPVSA-N 1 2 453.558 4.596 20 0 JJADLO C[C@H](C(=O)NCc1cccc(Oc2ccccc2F)c1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001452805943 1067254089 /nfs/dbraw/zinc/25/40/89/1067254089.db2.gz XMUQLNPAVYXXIK-LJQANCHMSA-N 1 2 451.517 4.584 20 0 JJADLO C[C@H](SCC(=O)NCc1ccccc1C[NH+]1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC001459192749 1067269568 /nfs/dbraw/zinc/26/95/68/1067269568.db2.gz IHNPQMDDARNWNX-KRWDZBQOSA-N 1 2 452.542 4.648 20 0 JJADLO CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC001453117676 1067280447 /nfs/dbraw/zinc/28/04/47/1067280447.db2.gz FNSIRHIAHSKBMY-DNQXCXABSA-N 1 2 478.568 4.594 20 0 JJADLO COC(=O)[C@@H](c1ccc(Cl)cc1)N1CC[NH+]([C@H](C)c2cccc(Br)c2)CC1 ZINC001459307168 1067289089 /nfs/dbraw/zinc/28/90/89/1067289089.db2.gz RCKCPDVFOOHSLX-FOIQADDNSA-N 1 2 451.792 4.695 20 0 JJADLO COc1ccc(OC2CC[NH+](Cc3nc(-c4ccc(Br)s4)no3)CC2)cc1 ZINC001459309028 1067289665 /nfs/dbraw/zinc/28/96/65/1067289665.db2.gz JIGMNCIOJGRWBP-UHFFFAOYSA-N 1 2 450.358 4.613 20 0 JJADLO COc1cc(C[N@H+](Cc2csc(-c3ccc(C(N)=O)cc3)n2)C2CC2)ccc1OC(F)F ZINC001459314904 1067291598 /nfs/dbraw/zinc/29/15/98/1067291598.db2.gz WKTMNZSWIDAENV-UHFFFAOYSA-N 1 2 459.518 4.684 20 0 JJADLO COc1cc(C[N@@H+](Cc2csc(-c3ccc(C(N)=O)cc3)n2)C2CC2)ccc1OC(F)F ZINC001459314904 1067291609 /nfs/dbraw/zinc/29/16/09/1067291609.db2.gz WKTMNZSWIDAENV-UHFFFAOYSA-N 1 2 459.518 4.684 20 0 JJADLO Cc1cc(C)c(-c2csc(NC(=O)C[N@@H+]3CC[C@H](CNC(=O)OC(C)(C)C)C3)n2)c(C)c1 ZINC001459411827 1067316889 /nfs/dbraw/zinc/31/68/89/1067316889.db2.gz KICXHOIKAJOLMY-GOSISDBHSA-N 1 2 458.628 4.520 20 0 JJADLO Cc1cc(C)c(-c2csc(NC(=O)C[N@H+]3CC[C@H](CNC(=O)OC(C)(C)C)C3)n2)c(C)c1 ZINC001459411827 1067316898 /nfs/dbraw/zinc/31/68/98/1067316898.db2.gz KICXHOIKAJOLMY-GOSISDBHSA-N 1 2 458.628 4.520 20 0 JJADLO O=C(CN1CC[NH+]([C@@H](c2ccccc2)c2ccccc2Cl)CC1)Nc1cccnc1Cl ZINC001459419170 1067319948 /nfs/dbraw/zinc/31/99/48/1067319948.db2.gz OIWWTYAUUSBGQR-QHCPKHFHSA-N 1 2 455.389 4.734 20 0 JJADLO COc1cccc(CN(C)C(=O)c2cccc(Cn3cc[nH+]c3)c2)c1OCc1ccccc1F ZINC001459419425 1067320144 /nfs/dbraw/zinc/32/01/44/1067320144.db2.gz SZZVLEGBVVCRAZ-UHFFFAOYSA-N 1 2 459.521 4.930 20 0 JJADLO O=C(CN1CC[NH+]([C@H](c2ccccc2)c2ccccc2Cl)CC1)Nc1cccnc1Cl ZINC001459419168 1067320277 /nfs/dbraw/zinc/32/02/77/1067320277.db2.gz OIWWTYAUUSBGQR-HSZRJFAPSA-N 1 2 455.389 4.734 20 0 JJADLO COC(=O)c1ccc(F)c(C[N@@H+]2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)c1 ZINC001459503644 1067339695 /nfs/dbraw/zinc/33/96/95/1067339695.db2.gz QHRBCEUEFOWBCA-UHFFFAOYSA-N 1 2 451.473 4.954 20 0 JJADLO COC(=O)c1ccc(F)c(C[N@H+]2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)c1 ZINC001459503644 1067339710 /nfs/dbraw/zinc/33/97/10/1067339710.db2.gz QHRBCEUEFOWBCA-UHFFFAOYSA-N 1 2 451.473 4.954 20 0 JJADLO CO[C@H](C)c1nc(CN2CCC[N@H+](Cc3csc(CCc4ccccc4)n3)CC2)cs1 ZINC001459604897 1067361135 /nfs/dbraw/zinc/36/11/35/1067361135.db2.gz CGVBMXFTDKEFBQ-LJQANCHMSA-N 1 2 456.681 4.800 20 0 JJADLO CO[C@H](C)c1nc(CN2CCC[N@@H+](Cc3csc(CCc4ccccc4)n3)CC2)cs1 ZINC001459604897 1067361146 /nfs/dbraw/zinc/36/11/46/1067361146.db2.gz CGVBMXFTDKEFBQ-LJQANCHMSA-N 1 2 456.681 4.800 20 0 JJADLO O=C(C[N@@H+]1CC[C@H](OCCCc2ccccc2)C1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC001459604637 1067361344 /nfs/dbraw/zinc/36/13/44/1067361344.db2.gz SYHKUYBROVSCGT-DEOSSOPVSA-N 1 2 457.574 4.601 20 0 JJADLO O=C(C[N@H+]1CC[C@H](OCCCc2ccccc2)C1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC001459604637 1067361354 /nfs/dbraw/zinc/36/13/54/1067361354.db2.gz SYHKUYBROVSCGT-DEOSSOPVSA-N 1 2 457.574 4.601 20 0 JJADLO CC(C)CNC(=O)c1ccccc1NC(=O)C[N@H+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC001459697142 1067387038 /nfs/dbraw/zinc/38/70/38/1067387038.db2.gz XILUSGQZNFXZBA-UHFFFAOYSA-N 1 2 459.512 4.819 20 0 JJADLO CC(C)CNC(=O)c1ccccc1NC(=O)C[N@@H+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC001459697142 1067387044 /nfs/dbraw/zinc/38/70/44/1067387044.db2.gz XILUSGQZNFXZBA-UHFFFAOYSA-N 1 2 459.512 4.819 20 0 JJADLO O=S(=O)(NC1CCCC1)[C@@H]1CCC[N@@H+]([C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)C1 ZINC001459819576 1067437670 /nfs/dbraw/zinc/43/76/70/1067437670.db2.gz OBTRZXMOINBCIW-PKTZIBPZSA-N 1 2 451.007 4.895 20 0 JJADLO O=S(=O)(NC1CCCC1)[C@@H]1CCC[N@H+]([C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)C1 ZINC001459819576 1067437677 /nfs/dbraw/zinc/43/76/77/1067437677.db2.gz OBTRZXMOINBCIW-PKTZIBPZSA-N 1 2 451.007 4.895 20 0 JJADLO O=C(C[C@@H]1CCC[N@@H+]1Cc1nc(Cc2cccc(Br)c2)no1)c1ccc(F)cc1 ZINC001459834913 1067445889 /nfs/dbraw/zinc/44/58/89/1067445889.db2.gz KFFAKZMTPDRYEI-IBGZPJMESA-N 1 2 458.331 4.799 20 0 JJADLO O=C(C[C@@H]1CCC[N@H+]1Cc1nc(Cc2cccc(Br)c2)no1)c1ccc(F)cc1 ZINC001459834913 1067445893 /nfs/dbraw/zinc/44/58/93/1067445893.db2.gz KFFAKZMTPDRYEI-IBGZPJMESA-N 1 2 458.331 4.799 20 0 JJADLO COc1ccc(CN(C)C(=O)[C@@H](C)[N@@H+]2CCc3sc(-c4csc(C)n4)cc3C2)cc1F ZINC001459842480 1067449645 /nfs/dbraw/zinc/44/96/45/1067449645.db2.gz UIZKWFQWUXIRPL-CQSZACIVSA-N 1 2 459.612 4.733 20 0 JJADLO COc1ccc(CN(C)C(=O)[C@@H](C)[N@H+]2CCc3sc(-c4csc(C)n4)cc3C2)cc1F ZINC001459842480 1067449649 /nfs/dbraw/zinc/44/96/49/1067449649.db2.gz UIZKWFQWUXIRPL-CQSZACIVSA-N 1 2 459.612 4.733 20 0 JJADLO Cc1cc(Br)ccc1NC(=O)C[N@H+](Cc1cnn(Cc2ccccc2)c1)C(C)C ZINC001459863272 1067462391 /nfs/dbraw/zinc/46/23/91/1067462391.db2.gz SSXIKCMHRCWUCF-UHFFFAOYSA-N 1 2 455.400 4.851 20 0 JJADLO Cc1cc(Br)ccc1NC(=O)C[N@@H+](Cc1cnn(Cc2ccccc2)c1)C(C)C ZINC001459863272 1067462396 /nfs/dbraw/zinc/46/23/96/1067462396.db2.gz SSXIKCMHRCWUCF-UHFFFAOYSA-N 1 2 455.400 4.851 20 0 JJADLO Cc1cc(C)c(-c2csc(NC(=O)CN3CC[NH+](Cc4cccc(F)c4)CC3)n2)cc1C ZINC001459879656 1067470745 /nfs/dbraw/zinc/47/07/45/1067470745.db2.gz GIDIMKJOHOGCTN-UHFFFAOYSA-N 1 2 452.599 4.631 20 0 JJADLO CCS(=O)(=O)c1ccc2oc(C[NH2+][C@@H](COCc3ccccc3)c3ccccc3)nc2c1 ZINC001459885570 1067473102 /nfs/dbraw/zinc/47/31/02/1067473102.db2.gz RVDITRYMQODYDL-QHCPKHFHSA-N 1 2 450.560 4.669 20 0 JJADLO Clc1c(Br)cc(CN2CC[NH+](Cc3ccncc3)CC2)cc1Br ZINC001459894444 1067477329 /nfs/dbraw/zinc/47/73/29/1067477329.db2.gz PHUZXXCEPAXVOV-UHFFFAOYSA-N 1 2 459.613 4.578 20 0 JJADLO C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[NH+]1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC001459955669 1067505835 /nfs/dbraw/zinc/50/58/35/1067505835.db2.gz IVKLDTNHLRODKA-KRWDZBQOSA-N 1 2 450.649 4.577 20 0 JJADLO CCCOc1nc2ccccc2cc1/C=C\C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC001459990088 1067517120 /nfs/dbraw/zinc/51/71/20/1067517120.db2.gz IYHKIPNAPQZEIF-FPLPWBNLSA-N 1 2 450.608 4.658 20 0 JJADLO CN(Cc1cc(Br)cs1)C(=O)C[NH+]1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC001459990187 1067517576 /nfs/dbraw/zinc/51/75/76/1067517576.db2.gz DVRRINNWZZTHRC-UHFFFAOYSA-N 1 2 455.368 4.927 20 0 JJADLO CCCCCc1nnc(NC(=O)C[NH+]2CCC(c3ccc(Br)cc3)CC2)s1 ZINC001460011807 1067526866 /nfs/dbraw/zinc/52/68/66/1067526866.db2.gz NXIICJAPNXDNGP-UHFFFAOYSA-N 1 2 451.434 4.851 20 0 JJADLO C[C@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)[NH+]1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC001460023381 1067532247 /nfs/dbraw/zinc/53/22/47/1067532247.db2.gz IFEPAFNJJFTHQJ-CQSZACIVSA-N 1 2 458.411 4.599 20 0 JJADLO COc1ccc(C(NC(=O)C[N@H+](C)Cc2ccccc2SC)c2ccc(OC)cc2)cc1 ZINC001460047503 1067538776 /nfs/dbraw/zinc/53/87/76/1067538776.db2.gz RVOIMOKUTQYQLU-UHFFFAOYSA-N 1 2 450.604 4.763 20 0 JJADLO COc1ccc(C(NC(=O)C[N@@H+](C)Cc2ccccc2SC)c2ccc(OC)cc2)cc1 ZINC001460047503 1067538780 /nfs/dbraw/zinc/53/87/80/1067538780.db2.gz RVOIMOKUTQYQLU-UHFFFAOYSA-N 1 2 450.604 4.763 20 0 JJADLO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1 ZINC001460067869 1067544747 /nfs/dbraw/zinc/54/47/47/1067544747.db2.gz FSLNMFJUSZJJJL-HNNXBMFYSA-N 1 2 454.493 4.624 20 0 JJADLO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@H+]1Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1 ZINC001460067869 1067544751 /nfs/dbraw/zinc/54/47/51/1067544751.db2.gz FSLNMFJUSZJJJL-HNNXBMFYSA-N 1 2 454.493 4.624 20 0 JJADLO CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)C[N@@H+]1CCSC[C@@H]1C1CC1 ZINC001460128061 1067560652 /nfs/dbraw/zinc/56/06/52/1067560652.db2.gz GTWVIQXJTZXQGB-HXUWFJFHSA-N 1 2 458.649 4.975 20 0 JJADLO CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)C[N@H+]1CCSC[C@@H]1C1CC1 ZINC001460128061 1067560659 /nfs/dbraw/zinc/56/06/59/1067560659.db2.gz GTWVIQXJTZXQGB-HXUWFJFHSA-N 1 2 458.649 4.975 20 0 JJADLO CC(C)C[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1CC(=O)NCC1(c2ccccc2)CC1 ZINC001460169823 1067569202 /nfs/dbraw/zinc/56/92/02/1067569202.db2.gz IWZAFULOQWTUIQ-VWLOTQADSA-N 1 2 454.058 4.720 20 0 JJADLO CC(C)C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1CC(=O)NCC1(c2ccccc2)CC1 ZINC001460169823 1067569209 /nfs/dbraw/zinc/56/92/09/1067569209.db2.gz IWZAFULOQWTUIQ-VWLOTQADSA-N 1 2 454.058 4.720 20 0 JJADLO Cc1ccc(CN(C(=O)CN2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]2CC(C)C)C2CC2)o1 ZINC001460174819 1067570504 /nfs/dbraw/zinc/57/05/04/1067570504.db2.gz XTBRWQXTFGSPEV-DEOSSOPVSA-N 1 2 458.046 4.965 20 0 JJADLO Cc1ccc(CN(C(=O)CN2CC[N@H+](Cc3ccc(Cl)cc3)C[C@@H]2CC(C)C)C2CC2)o1 ZINC001460174819 1067570512 /nfs/dbraw/zinc/57/05/12/1067570512.db2.gz XTBRWQXTFGSPEV-DEOSSOPVSA-N 1 2 458.046 4.965 20 0 JJADLO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](CC(=O)Nc3ccccc3Oc3ccccc3)CC[C@H]21 ZINC001460184450 1067574170 /nfs/dbraw/zinc/57/41/70/1067574170.db2.gz XWVPOEQTKFUVAM-SIKLNZKXSA-N 1 2 451.567 4.749 20 0 JJADLO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](CC(=O)Nc3ccccc3Oc3ccccc3)CC[C@H]21 ZINC001460184450 1067574179 /nfs/dbraw/zinc/57/41/79/1067574179.db2.gz XWVPOEQTKFUVAM-SIKLNZKXSA-N 1 2 451.567 4.749 20 0 JJADLO COc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)cc1Cl ZINC001460197376 1067576942 /nfs/dbraw/zinc/57/69/42/1067576942.db2.gz PUFNKCOUZDPGFR-LJQANCHMSA-N 1 2 458.864 4.649 20 0 JJADLO COc1ccc(NC(=O)CC[N@H+]2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)cc1Cl ZINC001460197376 1067576950 /nfs/dbraw/zinc/57/69/50/1067576950.db2.gz PUFNKCOUZDPGFR-LJQANCHMSA-N 1 2 458.864 4.649 20 0 JJADLO Cc1ccc(-c2csc(NC(=O)C[N@H+]3CC[C@H](C)[C@H](CNC(=O)OC(C)(C)C)C3)n2)cc1 ZINC001460209039 1067579595 /nfs/dbraw/zinc/57/95/95/1067579595.db2.gz YDRDMTRNTCEAEV-PKOBYXMFSA-N 1 2 458.628 4.540 20 0 JJADLO Cc1ccc(-c2csc(NC(=O)C[N@@H+]3CC[C@H](C)[C@H](CNC(=O)OC(C)(C)C)C3)n2)cc1 ZINC001460209039 1067579601 /nfs/dbraw/zinc/57/96/01/1067579601.db2.gz YDRDMTRNTCEAEV-PKOBYXMFSA-N 1 2 458.628 4.540 20 0 JJADLO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2nc(-c3ccccc3F)no2)C[C@H]1c1cccc(F)c1 ZINC001460231613 1067585322 /nfs/dbraw/zinc/58/53/22/1067585322.db2.gz CTHDPPRFNXLECK-AZUAARDMSA-N 1 2 456.493 4.508 20 0 JJADLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2nc(-c3ccccc3F)no2)C[C@H]1c1cccc(F)c1 ZINC001460231613 1067585328 /nfs/dbraw/zinc/58/53/28/1067585328.db2.gz CTHDPPRFNXLECK-AZUAARDMSA-N 1 2 456.493 4.508 20 0 JJADLO Cc1ccc(Oc2ccccc2NC(=O)C[N@@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)cc1 ZINC001460236828 1067587444 /nfs/dbraw/zinc/58/74/44/1067587444.db2.gz YKNADTGGCCINBR-SIKLNZKXSA-N 1 2 451.567 4.667 20 0 JJADLO Cc1ccc(Oc2ccccc2NC(=O)C[N@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)cc1 ZINC001460236828 1067587447 /nfs/dbraw/zinc/58/74/47/1067587447.db2.gz YKNADTGGCCINBR-SIKLNZKXSA-N 1 2 451.567 4.667 20 0 JJADLO C[C@@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@H+]1C[C@@H](c2ccccc2F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001460245128 1067589839 /nfs/dbraw/zinc/58/98/39/1067589839.db2.gz ZLOCTPHFPQNVGA-KFELQJHASA-N 1 2 481.612 4.875 20 0 JJADLO C[C@@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@@H+]1C[C@@H](c2ccccc2F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001460245128 1067589846 /nfs/dbraw/zinc/58/98/46/1067589846.db2.gz ZLOCTPHFPQNVGA-KFELQJHASA-N 1 2 481.612 4.875 20 0 JJADLO CC(C)c1n[nH]c(CC2CC[NH+]([C@@H](C)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)n1 ZINC001460332827 1067610511 /nfs/dbraw/zinc/61/05/11/1067610511.db2.gz LBYWNPLHYLOULZ-ZDUSSCGKSA-N 1 2 457.928 4.882 20 0 JJADLO CC(C)c1nnc(CC2CC[NH+]([C@@H](C)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)[nH]1 ZINC001460332827 1067610515 /nfs/dbraw/zinc/61/05/15/1067610515.db2.gz LBYWNPLHYLOULZ-ZDUSSCGKSA-N 1 2 457.928 4.882 20 0 JJADLO CC(C)c1nc(CC2CC[NH+]([C@@H](C)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)n[nH]1 ZINC001460332827 1067610519 /nfs/dbraw/zinc/61/05/19/1067610519.db2.gz LBYWNPLHYLOULZ-ZDUSSCGKSA-N 1 2 457.928 4.882 20 0 JJADLO C[C@@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC001460341912 1067612386 /nfs/dbraw/zinc/61/23/86/1067612386.db2.gz SPOFCIINWCVWIN-NPMXOYFQSA-N 1 2 459.974 4.913 20 0 JJADLO C[C@@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC001460341912 1067612389 /nfs/dbraw/zinc/61/23/89/1067612389.db2.gz SPOFCIINWCVWIN-NPMXOYFQSA-N 1 2 459.974 4.913 20 0 JJADLO CCC1(CC)CN(c2nnc(-c3ccccc3OC)n2Cc2c[nH+]ccc2OC)CCS1 ZINC001546116075 1067629675 /nfs/dbraw/zinc/62/96/75/1067629675.db2.gz GMIYAXNFMCEKCD-UHFFFAOYSA-N 1 2 453.612 4.518 20 0 JJADLO CCc1cccc(C)c1NC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001460450038 1067636982 /nfs/dbraw/zinc/63/69/82/1067636982.db2.gz JWMTVDDQJFSAAH-ZWKOTPCHSA-N 1 2 457.537 4.521 20 0 JJADLO CCc1cccc(C)c1NC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001460450038 1067636990 /nfs/dbraw/zinc/63/69/90/1067636990.db2.gz JWMTVDDQJFSAAH-ZWKOTPCHSA-N 1 2 457.537 4.521 20 0 JJADLO COC(=O)c1ccccc1CCC(=O)N1CC[N@H+](Cc2ccc(Cl)cc2)C[C@H]1CC(C)C ZINC001460461109 1067638534 /nfs/dbraw/zinc/63/85/34/1067638534.db2.gz SLYRXWWAMFWIOD-HSZRJFAPSA-N 1 2 457.014 4.818 20 0 JJADLO COC(=O)c1ccccc1CCC(=O)N1CC[N@@H+](Cc2ccc(Cl)cc2)C[C@H]1CC(C)C ZINC001460461109 1067638538 /nfs/dbraw/zinc/63/85/38/1067638538.db2.gz SLYRXWWAMFWIOD-HSZRJFAPSA-N 1 2 457.014 4.818 20 0 JJADLO C[C@@H]([NH2+][C@H](CO)c1cccc(Cl)c1Cl)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC001460468818 1067639493 /nfs/dbraw/zinc/63/94/93/1067639493.db2.gz FLWDYVASLSQWNO-BDJLRTHQSA-N 1 2 454.354 4.906 20 0 JJADLO COCCN(C(C)=O)c1nc(C[N@@H+]2CCC[C@@]2(C)Cc2ccccc2C(F)(F)F)cs1 ZINC001460482842 1067643217 /nfs/dbraw/zinc/64/32/17/1067643217.db2.gz HYGHNMNELCIQLQ-NRFANRHFSA-N 1 2 455.546 4.758 20 0 JJADLO COCCN(C(C)=O)c1nc(C[N@H+]2CCC[C@@]2(C)Cc2ccccc2C(F)(F)F)cs1 ZINC001460482842 1067643222 /nfs/dbraw/zinc/64/32/22/1067643222.db2.gz HYGHNMNELCIQLQ-NRFANRHFSA-N 1 2 455.546 4.758 20 0 JJADLO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Sc3ccc(Br)cc3)cc2)C[C@@H]1C ZINC001460528280 1067651230 /nfs/dbraw/zinc/65/12/30/1067651230.db2.gz XBNRVDWOKBRRKM-MGPUTAFESA-N 1 2 477.424 4.670 20 0 JJADLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Sc3ccc(Br)cc3)cc2)C[C@@H]1C ZINC001460528280 1067651231 /nfs/dbraw/zinc/65/12/31/1067651231.db2.gz XBNRVDWOKBRRKM-MGPUTAFESA-N 1 2 477.424 4.670 20 0 JJADLO COC[C@@H](C)[N@H+](Cc1nc(Cc2cccc(Br)c2)no1)[C@H]1CCc2ccccc21 ZINC001460571022 1067658174 /nfs/dbraw/zinc/65/81/74/1067658174.db2.gz AKBCQYVOHDUMHF-IERDGZPVSA-N 1 2 456.384 4.947 20 0 JJADLO COC[C@@H](C)[N@@H+](Cc1nc(Cc2cccc(Br)c2)no1)[C@H]1CCc2ccccc21 ZINC001460571022 1067658176 /nfs/dbraw/zinc/65/81/76/1067658176.db2.gz AKBCQYVOHDUMHF-IERDGZPVSA-N 1 2 456.384 4.947 20 0 JJADLO C[C@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC001460612528 1067671797 /nfs/dbraw/zinc/67/17/97/1067671797.db2.gz VTCNGHSECCILIU-GOEBONIOSA-N 1 2 457.397 4.931 20 0 JJADLO C[C@H]1C[C@@H](c2ccc(Br)cc2)C[N@H+]1Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC001460612528 1067671805 /nfs/dbraw/zinc/67/18/05/1067671805.db2.gz VTCNGHSECCILIU-GOEBONIOSA-N 1 2 457.397 4.931 20 0 JJADLO Cc1ccc2c(c1)[C@@H](NC(=O)C[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1)CCC2 ZINC001460629347 1067677954 /nfs/dbraw/zinc/67/79/54/1067677954.db2.gz FBZJMXCJDLHCDG-DEOSSOPVSA-N 1 2 451.611 4.516 20 0 JJADLO Cc1ccc2c(c1)[C@@H](NC(=O)C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1)CCC2 ZINC001460629347 1067677961 /nfs/dbraw/zinc/67/79/61/1067677961.db2.gz FBZJMXCJDLHCDG-DEOSSOPVSA-N 1 2 451.611 4.516 20 0 JJADLO CC(C)(C)OC(=O)NCC[N@H+](CC(=O)N1CC(C)(C)[C@H]1c1cccs1)Cc1ccccc1 ZINC001460648029 1067685803 /nfs/dbraw/zinc/68/58/03/1067685803.db2.gz FAZAQFYXUYSKQG-JOCHJYFZSA-N 1 2 457.640 4.685 20 0 JJADLO CC(C)(C)OC(=O)NCC[N@@H+](CC(=O)N1CC(C)(C)[C@H]1c1cccs1)Cc1ccccc1 ZINC001460648029 1067685808 /nfs/dbraw/zinc/68/58/08/1067685808.db2.gz FAZAQFYXUYSKQG-JOCHJYFZSA-N 1 2 457.640 4.685 20 0 JJADLO Cn1c(C[N@@H+]2CCN(C(=O)OC(C)(C)C)CCC2(C)C)nc2ccc(Br)cc21 ZINC001460653790 1067688404 /nfs/dbraw/zinc/68/84/04/1067688404.db2.gz ZUQSOWFRLGZFPI-UHFFFAOYSA-N 1 2 451.409 4.557 20 0 JJADLO Cn1c(C[N@H+]2CCN(C(=O)OC(C)(C)C)CCC2(C)C)nc2ccc(Br)cc21 ZINC001460653790 1067688410 /nfs/dbraw/zinc/68/84/10/1067688410.db2.gz ZUQSOWFRLGZFPI-UHFFFAOYSA-N 1 2 451.409 4.557 20 0 JJADLO CCC1(CC)CN(c2nnc([C@H]3CCCOC3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)CCS1 ZINC001546117825 1067699103 /nfs/dbraw/zinc/69/91/03/1067699103.db2.gz QCBHXOYVGUFHTC-GHTZIAJQSA-N 1 2 493.668 4.865 20 0 JJADLO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC001460706379 1067705948 /nfs/dbraw/zinc/70/59/48/1067705948.db2.gz QKMVBPJSYBMJFF-QFIPXVFZSA-N 1 2 453.583 4.583 20 0 JJADLO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC001460706379 1067705951 /nfs/dbraw/zinc/70/59/51/1067705951.db2.gz QKMVBPJSYBMJFF-QFIPXVFZSA-N 1 2 453.583 4.583 20 0 JJADLO CC(C)OCc1noc(C[N@@H+]2CCC[C@@H](C[C@H](NC(=O)OC(C)(C)C)C3CCCC3)C2)n1 ZINC001460746830 1067714471 /nfs/dbraw/zinc/71/44/71/1067714471.db2.gz KTFDJXYLZSWACR-ICSRJNTNSA-N 1 2 450.624 4.680 20 0 JJADLO CC(C)OCc1noc(C[N@H+]2CCC[C@@H](C[C@H](NC(=O)OC(C)(C)C)C3CCCC3)C2)n1 ZINC001460746830 1067714475 /nfs/dbraw/zinc/71/44/75/1067714475.db2.gz KTFDJXYLZSWACR-ICSRJNTNSA-N 1 2 450.624 4.680 20 0 JJADLO FC(F)(F)c1ccc(OC2CC[NH+](Cc3nc4cc(Br)ccc4[nH]3)CC2)nc1 ZINC001460762332 1067718871 /nfs/dbraw/zinc/71/88/71/1067718871.db2.gz XQIYFIMYDQSPJB-UHFFFAOYSA-N 1 2 455.278 4.783 20 0 JJADLO CC(C)c1cccc(C(C)C)c1NC(=O)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)OC(C)(C)C)CCO2 ZINC001460773153 1067720725 /nfs/dbraw/zinc/72/07/25/1067720725.db2.gz NSYQPRCXTXJADT-AREMUKBSSA-N 1 2 459.631 4.584 20 0 JJADLO CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+]1CC[C@@]2(C1)CN(C(=O)OC(C)(C)C)CCO2 ZINC001460773153 1067720732 /nfs/dbraw/zinc/72/07/32/1067720732.db2.gz NSYQPRCXTXJADT-AREMUKBSSA-N 1 2 459.631 4.584 20 0 JJADLO O=C(CC[N@@H+]1CCc2cc(F)c(Br)cc2C1)Nc1cccc(Br)c1 ZINC001460825646 1067730487 /nfs/dbraw/zinc/73/04/87/1067730487.db2.gz KVQWTSQIEKRPKN-UHFFFAOYSA-N 1 2 456.153 4.738 20 0 JJADLO O=C(CC[N@H+]1CCc2cc(F)c(Br)cc2C1)Nc1cccc(Br)c1 ZINC001460825646 1067730491 /nfs/dbraw/zinc/73/04/91/1067730491.db2.gz KVQWTSQIEKRPKN-UHFFFAOYSA-N 1 2 456.153 4.738 20 0 JJADLO Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001460886054 1067742638 /nfs/dbraw/zinc/74/26/38/1067742638.db2.gz CEIKWBGRVFRBLG-GOSISDBHSA-N 1 2 451.567 4.794 20 0 JJADLO Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001460886054 1067742641 /nfs/dbraw/zinc/74/26/41/1067742641.db2.gz CEIKWBGRVFRBLG-GOSISDBHSA-N 1 2 451.567 4.794 20 0 JJADLO Cc1ccc(-c2csc(NC(=O)C[N@@H+]3CCC[C@]34CCN(C(=O)OC(C)(C)C)C4)n2)cc1 ZINC001460922684 1067748827 /nfs/dbraw/zinc/74/88/27/1067748827.db2.gz XLWSHTGBSLLTHN-XMMPIXPASA-N 1 2 456.612 4.532 20 0 JJADLO Cc1ccc(-c2csc(NC(=O)C[N@H+]3CCC[C@]34CCN(C(=O)OC(C)(C)C)C4)n2)cc1 ZINC001460922684 1067748829 /nfs/dbraw/zinc/74/88/29/1067748829.db2.gz XLWSHTGBSLLTHN-XMMPIXPASA-N 1 2 456.612 4.532 20 0 JJADLO COc1ccc(-c2nc(C[N@@H+]3C4CCC3(CNC(=O)OC(C)(C)C)CC4)cs2)c(OC)c1 ZINC001460938219 1067750886 /nfs/dbraw/zinc/75/08/86/1067750886.db2.gz QUYAXWAEFOLILW-UHFFFAOYSA-N 1 2 459.612 4.849 20 0 JJADLO COc1ccc(-c2nc(C[N@H+]3C4CCC3(CNC(=O)OC(C)(C)C)CC4)cs2)c(OC)c1 ZINC001460938219 1067750894 /nfs/dbraw/zinc/75/08/94/1067750894.db2.gz QUYAXWAEFOLILW-UHFFFAOYSA-N 1 2 459.612 4.849 20 0 JJADLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH+]2CCC3(CN(C(=O)OC(C)(C)C)[C@@H]3C(C)C)CC2)c1C ZINC001460938367 1067751165 /nfs/dbraw/zinc/75/11/65/1067751165.db2.gz SFWCZEIEAPSIHE-WZONZLPQSA-N 1 2 459.631 4.763 20 0 JJADLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH+]2CCC3(CN(C(=O)OC(C)(C)C)[C@H]3C(C)C)CC2)c1C ZINC001460938362 1067751272 /nfs/dbraw/zinc/75/12/72/1067751272.db2.gz SFWCZEIEAPSIHE-MBSDFSHPSA-N 1 2 459.631 4.763 20 0 JJADLO COc1cccc(COc2cccc(Cl)c2C[NH2+]CC(=O)N2CCCc3ccccc32)c1 ZINC001461141592 1067788273 /nfs/dbraw/zinc/78/82/73/1067788273.db2.gz XBJLSZVMNFKVPM-UHFFFAOYSA-N 1 2 450.966 4.997 20 0 JJADLO CCc1ccc([C@H]([NH2+]Cc2cn3cc(Cl)ccc3n2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001461251551 1067809860 /nfs/dbraw/zinc/80/98/60/1067809860.db2.gz GUVUVIZYQIHCNQ-DEOSSOPVSA-N 1 2 453.995 4.833 20 0 JJADLO COc1cccc(C([NH2+]Cc2cn3ccc(Br)cc3n2)c2cccc(OC)c2)c1 ZINC001461258123 1067812606 /nfs/dbraw/zinc/81/26/06/1067812606.db2.gz WBBSRLBLKCZIAR-UHFFFAOYSA-N 1 2 452.352 4.993 20 0 JJADLO Cc1nn(-c2ccccc2)c(C)c1CNc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC001461437037 1067856403 /nfs/dbraw/zinc/85/64/03/1067856403.db2.gz TYBJUEBCSPDAQJ-UHFFFAOYSA-N 1 2 454.416 4.616 20 0 JJADLO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC001461439917 1067856760 /nfs/dbraw/zinc/85/67/60/1067856760.db2.gz HPGLXLLHSFMXLR-JOCHJYFZSA-N 1 2 454.347 4.695 20 0 JJADLO COc1cc(Cl)c(C[NH2+]Cc2ccc(Cl)cc2I)cc1OC ZINC001461458475 1067861766 /nfs/dbraw/zinc/86/17/66/1067861766.db2.gz AOSWEVRMSMBBDG-UHFFFAOYSA-N 1 2 452.119 4.905 20 0 JJADLO FC(F)(F)COc1cnccc1C[NH2+]Cc1cc(Br)ccc1Br ZINC001461464329 1067863175 /nfs/dbraw/zinc/86/31/75/1067863175.db2.gz NFKDTCOGKGBCCZ-UHFFFAOYSA-N 1 2 454.084 4.838 20 0 JJADLO COc1ccc(N(C(C)=O)c2nc(C[N@@H+]3CC[C@H](COCc4ccccc4)C3)cs2)cc1 ZINC001461853621 1067947505 /nfs/dbraw/zinc/94/75/05/1067947505.db2.gz QSQQNOGRFBTFKC-NRFANRHFSA-N 1 2 451.592 4.875 20 0 JJADLO COc1ccc(N(C(C)=O)c2nc(C[N@H+]3CC[C@H](COCc4ccccc4)C3)cs2)cc1 ZINC001461853621 1067947508 /nfs/dbraw/zinc/94/75/08/1067947508.db2.gz QSQQNOGRFBTFKC-NRFANRHFSA-N 1 2 451.592 4.875 20 0 JJADLO COc1ccc(C[N@H+](C)Cc2cc3c(cc2OC(F)F)OCO3)c(OCc2cccnc2)c1 ZINC001461866425 1067950373 /nfs/dbraw/zinc/95/03/73/1067950373.db2.gz MTXLHJHFUXNOPT-UHFFFAOYSA-N 1 2 458.461 4.631 20 0 JJADLO COc1ccc(C[N@@H+](C)Cc2cc3c(cc2OC(F)F)OCO3)c(OCc2cccnc2)c1 ZINC001461866425 1067950377 /nfs/dbraw/zinc/95/03/77/1067950377.db2.gz MTXLHJHFUXNOPT-UHFFFAOYSA-N 1 2 458.461 4.631 20 0 JJADLO C[C@@H]1CN(c2ccccc2C[N@H+](C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CCO1 ZINC001461867490 1067950595 /nfs/dbraw/zinc/95/05/95/1067950595.db2.gz IRAMPURGFZUBNF-OAHLLOKOSA-N 1 2 455.908 4.654 20 0 JJADLO C[C@@H]1CN(c2ccccc2C[N@@H+](C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CCO1 ZINC001461867490 1067950600 /nfs/dbraw/zinc/95/06/00/1067950600.db2.gz IRAMPURGFZUBNF-OAHLLOKOSA-N 1 2 455.908 4.654 20 0 JJADLO Cc1nn(-c2cccc(Br)c2)cc1C[NH+]1CCN(C/C=C\c2ccccc2)CC1 ZINC001461915914 1067960742 /nfs/dbraw/zinc/96/07/42/1067960742.db2.gz VHYPLTPMKFUCEZ-TWGQIWQCSA-N 1 2 451.412 4.774 20 0 JJADLO O=C(CC1CC[NH+](Cc2cc(Br)ccc2Br)CC1)NC1CCCC1 ZINC001461986603 1067975578 /nfs/dbraw/zinc/97/55/78/1067975578.db2.gz MFMGLLHMCLGKGE-UHFFFAOYSA-N 1 2 458.238 4.873 20 0 JJADLO CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC001461987464 1067976136 /nfs/dbraw/zinc/97/61/36/1067976136.db2.gz AGPQRVAGYYLDSS-CVEARBPZSA-N 1 2 452.386 4.548 20 0 JJADLO CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC001461987464 1067976141 /nfs/dbraw/zinc/97/61/41/1067976141.db2.gz AGPQRVAGYYLDSS-CVEARBPZSA-N 1 2 452.386 4.548 20 0 JJADLO O=C(NCc1ccnc(-c2ccccc2)c1)[C@@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001461999730 1067977566 /nfs/dbraw/zinc/97/75/66/1067977566.db2.gz QUDUMSDVTSVAFX-HSZRJFAPSA-N 1 2 450.380 4.964 20 0 JJADLO FC(F)(F)c1cccc(CN2CC[NH+](Cc3c(Cl)cccc3N3CCOCC3)CC2)c1 ZINC001462030831 1067984588 /nfs/dbraw/zinc/98/45/88/1067984588.db2.gz KXPMKBYDYLGAEN-UHFFFAOYSA-N 1 2 453.936 4.513 20 0 JJADLO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1cnc(-c2ccccc2F)s1 ZINC001462036122 1067985612 /nfs/dbraw/zinc/98/56/12/1067985612.db2.gz AJGWYRUEJHVEKU-HXUWFJFHSA-N 1 2 456.539 4.629 20 0 JJADLO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1cnc(-c2ccccc2F)s1 ZINC001462036122 1067985626 /nfs/dbraw/zinc/98/56/26/1067985626.db2.gz AJGWYRUEJHVEKU-HXUWFJFHSA-N 1 2 456.539 4.629 20 0 JJADLO CCc1ccc2occ(C(=O)Nc3cc(N4CCN(C(=O)OC(C)(C)C)CC4)cc[nH+]3)c2c1 ZINC001462051332 1067991225 /nfs/dbraw/zinc/99/12/25/1067991225.db2.gz PDYAUZKWWVWGQR-UHFFFAOYSA-N 1 2 450.539 4.700 20 0 JJADLO Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCC[N@@H+]1C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC001462066805 1067995061 /nfs/dbraw/zinc/99/50/61/1067995061.db2.gz BHCVORJDQZDEJL-GJZUVCINSA-N 1 2 454.615 4.510 20 0 JJADLO Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCC[N@H+]1C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC001462066805 1067995070 /nfs/dbraw/zinc/99/50/70/1067995070.db2.gz BHCVORJDQZDEJL-GJZUVCINSA-N 1 2 454.615 4.510 20 0 JJADLO COc1cc(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)c(F)cc1Br ZINC001462151027 1068016657 /nfs/dbraw/zinc/01/66/57/1068016657.db2.gz UTUBQLKEILGGPN-NRFANRHFSA-N 1 2 457.384 4.820 20 0 JJADLO COc1cc(C[N@H+]2CC[C@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)c(F)cc1Br ZINC001462151027 1068016672 /nfs/dbraw/zinc/01/66/72/1068016672.db2.gz UTUBQLKEILGGPN-NRFANRHFSA-N 1 2 457.384 4.820 20 0 JJADLO Fc1ccc(C[N@H+](Cc2ncc(Br)cc2Br)C2CCOCC2)cc1 ZINC001462187765 1068025095 /nfs/dbraw/zinc/02/50/95/1068025095.db2.gz IDOTUMUDPAAEAR-UHFFFAOYSA-N 1 2 458.169 4.927 20 0 JJADLO Fc1ccc(C[N@@H+](Cc2ncc(Br)cc2Br)C2CCOCC2)cc1 ZINC001462187765 1068025108 /nfs/dbraw/zinc/02/51/08/1068025108.db2.gz IDOTUMUDPAAEAR-UHFFFAOYSA-N 1 2 458.169 4.927 20 0 JJADLO CCn1cc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)[C@@H](NC(=O)C(F)(F)F)C2)c(-c2ccccc2)n1 ZINC001462430109 1068073194 /nfs/dbraw/zinc/07/31/94/1068073194.db2.gz VCYYXKQKXLDQEQ-VXKWHMMOSA-N 1 2 474.502 4.746 20 0 JJADLO CCn1cc(C[N@H+]2CC[C@@H](c3ccc(F)cc3)[C@@H](NC(=O)C(F)(F)F)C2)c(-c2ccccc2)n1 ZINC001462430109 1068073205 /nfs/dbraw/zinc/07/32/05/1068073205.db2.gz VCYYXKQKXLDQEQ-VXKWHMMOSA-N 1 2 474.502 4.746 20 0 JJADLO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC001462456047 1068078350 /nfs/dbraw/zinc/07/83/50/1068078350.db2.gz GGLLDPMOASGYQZ-SFHVURJKSA-N 1 2 454.317 4.944 20 0 JJADLO CCOC(=O)c1cc(C[NH2+]Cc2c(C)nn(-c3ccccc3)c2Oc2ccc(F)cc2)on1 ZINC001462513503 1068088835 /nfs/dbraw/zinc/08/88/35/1068088835.db2.gz IABWJJKMSAKIAM-UHFFFAOYSA-N 1 2 450.470 4.567 20 0 JJADLO CCc1ccccc1NC(=O)C[C@H](C)[N@@H+]1CCc2sc(CNC(=O)OC(C)(C)C)nc2C1 ZINC001462546841 1068096124 /nfs/dbraw/zinc/09/61/24/1068096124.db2.gz KRSASPPFFGYLKO-INIZCTEOSA-N 1 2 458.628 4.506 20 0 JJADLO CCc1ccccc1NC(=O)C[C@H](C)[N@H+]1CCc2sc(CNC(=O)OC(C)(C)C)nc2C1 ZINC001462546841 1068096140 /nfs/dbraw/zinc/09/61/40/1068096140.db2.gz KRSASPPFFGYLKO-INIZCTEOSA-N 1 2 458.628 4.506 20 0 JJADLO Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001462590346 1068106623 /nfs/dbraw/zinc/10/66/23/1068106623.db2.gz LRSZOMRUMVVQKQ-UXHICEINSA-N 1 2 452.521 4.767 20 0 JJADLO Cc1nn(-c2ccc(C)cc2)cc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001462590346 1068106631 /nfs/dbraw/zinc/10/66/31/1068106631.db2.gz LRSZOMRUMVVQKQ-UXHICEINSA-N 1 2 452.521 4.767 20 0 JJADLO COc1cnc(F)c(C[NH+]2CCC3(CC2)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2O3)c1 ZINC001462692762 1068133569 /nfs/dbraw/zinc/13/35/69/1068133569.db2.gz YVSWBSLVTBNTRE-HXUWFJFHSA-N 1 2 457.546 4.612 20 0 JJADLO CC[C@@H](C(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1)[NH+](CC)CC ZINC001463562286 1068444428 /nfs/dbraw/zinc/44/44/28/1068444428.db2.gz RCBWGPLRGUYFFR-SFHVURJKSA-N 1 2 458.411 4.853 20 0 JJADLO Cc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2cccc(F)c2)cc1I ZINC001463696026 1068497239 /nfs/dbraw/zinc/49/72/39/1068497239.db2.gz MWJIQGRJCYLUIB-LJQANCHMSA-N 1 2 452.311 4.732 20 0 JJADLO Cc1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2cccc(F)c2)cc1I ZINC001463696026 1068497246 /nfs/dbraw/zinc/49/72/46/1068497246.db2.gz MWJIQGRJCYLUIB-LJQANCHMSA-N 1 2 452.311 4.732 20 0 JJADLO C[C@@](O)(C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1)c1ccc(F)cc1 ZINC001463738967 1068508589 /nfs/dbraw/zinc/50/85/89/1068508589.db2.gz XPZHEUABQDQJRX-DEOSSOPVSA-N 1 2 458.986 4.760 20 0 JJADLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)Oc2c(Cl)cc(Cl)cc2Br)C1 ZINC001463811594 1068533351 /nfs/dbraw/zinc/53/33/51/1068533351.db2.gz YYHBQBHGVUWYMI-UHFFFAOYSA-N 1 2 451.169 4.512 20 0 JJADLO C[N@H+]1CCc2c(cccc2S(=O)(=O)Oc2c(Cl)cc(Cl)cc2Br)C1 ZINC001463811594 1068533361 /nfs/dbraw/zinc/53/33/61/1068533361.db2.gz YYHBQBHGVUWYMI-UHFFFAOYSA-N 1 2 451.169 4.512 20 0 JJADLO Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC001463850390 1068547624 /nfs/dbraw/zinc/54/76/24/1068547624.db2.gz QFVYWPOVOXOKSP-UHFFFAOYSA-N 1 2 456.011 4.684 20 0 JJADLO O=C(NCc1ccco1)Nc1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2cccc(F)c2)cc1 ZINC001463930593 1068568790 /nfs/dbraw/zinc/56/87/90/1068568790.db2.gz YAMYRIVTHPVGKL-HSZRJFAPSA-N 1 2 450.514 4.734 20 0 JJADLO O=C(NCc1ccco1)Nc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2cccc(F)c2)cc1 ZINC001463930593 1068568797 /nfs/dbraw/zinc/56/87/97/1068568797.db2.gz YAMYRIVTHPVGKL-HSZRJFAPSA-N 1 2 450.514 4.734 20 0 JJADLO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)cc1OCc1cccnc1 ZINC001464116474 1068620571 /nfs/dbraw/zinc/62/05/71/1068620571.db2.gz OAMUMAFOZRVRQY-QFIPXVFZSA-N 1 2 451.954 4.926 20 0 JJADLO COc1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)cc1OCc1cccnc1 ZINC001464116474 1068620577 /nfs/dbraw/zinc/62/05/77/1068620577.db2.gz OAMUMAFOZRVRQY-QFIPXVFZSA-N 1 2 451.954 4.926 20 0 JJADLO O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[C@@H]1CCN(c2ccccc2Cl)C1 ZINC001464128338 1068626103 /nfs/dbraw/zinc/62/61/03/1068626103.db2.gz DDEFFLSCTXSAGG-IIBYNOLFSA-N 1 2 450.385 4.912 20 0 JJADLO CC(C)CC(=O)N[C@@H](C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1ccccc1 ZINC001464130857 1068627372 /nfs/dbraw/zinc/62/73/72/1068627372.db2.gz YPDCCAQJYPPIOW-XUZZJYLKSA-N 1 2 459.993 4.636 20 0 JJADLO CCNc1cccnc1C(=O)NC[C@@H](c1ccc(SC)cc1)[N@@H+]1CCc2sccc2C1 ZINC001464202488 1068654997 /nfs/dbraw/zinc/65/49/97/1068654997.db2.gz SVQBNPKNWAEKQE-NRFANRHFSA-N 1 2 452.649 4.826 20 0 JJADLO CCNc1cccnc1C(=O)NC[C@@H](c1ccc(SC)cc1)[N@H+]1CCc2sccc2C1 ZINC001464202488 1068655000 /nfs/dbraw/zinc/65/50/00/1068655000.db2.gz SVQBNPKNWAEKQE-NRFANRHFSA-N 1 2 452.649 4.826 20 0 JJADLO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2cccc(C(F)(F)F)c2O)c1 ZINC001464299478 1068696399 /nfs/dbraw/zinc/69/63/99/1068696399.db2.gz ONMBYAKGJPFAPF-CYBMUJFWSA-N 1 2 453.436 4.615 20 0 JJADLO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2cccc(C(F)(F)F)c2O)c1 ZINC001464299478 1068696406 /nfs/dbraw/zinc/69/64/06/1068696406.db2.gz ONMBYAKGJPFAPF-CYBMUJFWSA-N 1 2 453.436 4.615 20 0 JJADLO CC(C)CC[C@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1)c1ccc(Cl)cc1 ZINC001464299088 1068697051 /nfs/dbraw/zinc/69/70/51/1068697051.db2.gz NZBHRHQXWNHGCG-GOTSBHOMSA-N 1 2 459.034 4.964 20 0 JJADLO CC(C)CC[C@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1)c1ccc(Cl)cc1 ZINC001464299088 1068697057 /nfs/dbraw/zinc/69/70/57/1068697057.db2.gz NZBHRHQXWNHGCG-GOTSBHOMSA-N 1 2 459.034 4.964 20 0 JJADLO Cc1[nH]c(-c2cccc(NC(=O)c3cc(Br)nc(Br)c3)c2)[nH+]c1C ZINC001464456848 1068753315 /nfs/dbraw/zinc/75/33/15/1068753315.db2.gz JQTDEIINZBEEBR-UHFFFAOYSA-N 1 2 450.134 4.866 20 0 JJADLO O=S(=O)(Cc1cc(Cl)cc(Cl)c1)NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC001464462440 1068755354 /nfs/dbraw/zinc/75/53/54/1068755354.db2.gz ZNPJNAMNMIRKRB-UHFFFAOYSA-N 1 2 450.391 4.515 20 0 JJADLO CCOC(=O)N=c1[nH]c2ccc(NC(=O)[C@@H]3CCCC[N@@H+]3Cc3cccc(F)c3)cc2s1 ZINC001464514760 1068770134 /nfs/dbraw/zinc/77/01/34/1068770134.db2.gz YYXVCOILHLYZKP-IBGZPJMESA-N 1 2 456.543 4.997 20 0 JJADLO CCOC(=O)N=c1[nH]c2ccc(NC(=O)[C@@H]3CCCC[N@H+]3Cc3cccc(F)c3)cc2s1 ZINC001464514760 1068770148 /nfs/dbraw/zinc/77/01/48/1068770148.db2.gz YYXVCOILHLYZKP-IBGZPJMESA-N 1 2 456.543 4.997 20 0 JJADLO C[C@H](C(=O)Nc1ccc(OCc2ccccc2F)cc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001464517144 1068770803 /nfs/dbraw/zinc/77/08/03/1068770803.db2.gz BEDVLAOPXMTXSW-LJQANCHMSA-N 1 2 451.517 4.693 20 0 JJADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CCC4(CC(F)C4)CC3)c2c1C ZINC001164416031 718884344 /nfs/dbraw/zinc/88/43/44/718884344.db2.gz RBKCSKIHQOJIRI-UHFFFAOYSA-N 1 2 460.619 4.881 20 0 JJADLO FC(F)(c1cnc(Cl)c(Cl)c1)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164420332 718889440 /nfs/dbraw/zinc/88/94/40/718889440.db2.gz UILHZAFMJOGXNS-CYBMUJFWSA-N 1 2 478.124 4.921 20 0 JJADLO FC(F)(c1ccc(Cl)c(Cl)n1)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164418553 718890017 /nfs/dbraw/zinc/89/00/17/718890017.db2.gz OXZBHTZXNUKAIZ-LBPRGKRZSA-N 1 2 478.124 4.921 20 0 JJADLO FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164417008 718890533 /nfs/dbraw/zinc/89/05/33/718890533.db2.gz GXFWEULLVBHVMT-CYBMUJFWSA-N 1 2 482.716 4.749 20 0 JJADLO FC(F)(c1nc2ccccc2nc1Cl)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164417939 718890566 /nfs/dbraw/zinc/89/05/66/718890566.db2.gz LPTHNAVXMMLTKC-OAHLLOKOSA-N 1 2 494.727 4.816 20 0 JJADLO Cc1cc(Cl)ncc1C(F)(F)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164420782 718890570 /nfs/dbraw/zinc/89/05/70/718890570.db2.gz VUSUNHREFZHOSR-AWEZNQCLSA-N 1 2 457.706 4.576 20 0 JJADLO FC(F)(c1cccc2c(Cl)ncnc21)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164421810 718891203 /nfs/dbraw/zinc/89/12/03/718891203.db2.gz YJKUUEWCNMKHMW-HNNXBMFYSA-N 1 2 494.727 4.816 20 0 JJADLO CCOC(=O)c1nc2ccccc2c(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@H+]3CC)n1 ZINC001164662920 719346292 /nfs/dbraw/zinc/34/62/92/719346292.db2.gz BBSWOBBFCIIOBW-UHFFFAOYSA-N 1 2 496.615 4.501 20 0 JJADLO CCOC(=O)c1nc2ccccc2c(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@@H+]3CC)n1 ZINC001164662920 719346294 /nfs/dbraw/zinc/34/62/94/719346294.db2.gz BBSWOBBFCIIOBW-UHFFFAOYSA-N 1 2 496.615 4.501 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nnc(Cl)cc1-c1ccncc1)CC2 ZINC001164664160 719346740 /nfs/dbraw/zinc/34/67/40/719346740.db2.gz SPYQULWDPJDDIX-UHFFFAOYSA-N 1 2 486.023 4.887 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nnc(Cl)cc1-c1ccncc1)CC2 ZINC001164664160 719346741 /nfs/dbraw/zinc/34/67/41/719346741.db2.gz SPYQULWDPJDDIX-UHFFFAOYSA-N 1 2 486.023 4.887 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cncc(OCc3ccccc3)n1)CC2 ZINC001164663529 719347318 /nfs/dbraw/zinc/34/73/18/719347318.db2.gz JWYCODMAROUTBN-UHFFFAOYSA-N 1 2 480.616 4.750 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cncc(OCc3ccccc3)n1)CC2 ZINC001164663529 719347322 /nfs/dbraw/zinc/34/73/22/719347322.db2.gz JWYCODMAROUTBN-UHFFFAOYSA-N 1 2 480.616 4.750 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3c1COC3(C)C)CC2 ZINC001164664543 719348239 /nfs/dbraw/zinc/34/82/39/719348239.db2.gz XQTORIQDQCQZRW-UHFFFAOYSA-N 1 2 479.028 4.590 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3c1COC3(C)C)CC2 ZINC001164664543 719348242 /nfs/dbraw/zinc/34/82/42/719348242.db2.gz XQTORIQDQCQZRW-UHFFFAOYSA-N 1 2 479.028 4.590 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc3nccc(Cl)c3cn1)CC2 ZINC001164663548 719349857 /nfs/dbraw/zinc/34/98/57/719349857.db2.gz KGDXXFMGLGDWIV-UHFFFAOYSA-N 1 2 458.997 4.978 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc3nccc(Cl)c3cn1)CC2 ZINC001164663548 719349860 /nfs/dbraw/zinc/34/98/60/719349860.db2.gz KGDXXFMGLGDWIV-UHFFFAOYSA-N 1 2 458.997 4.978 20 0 JJADLO CCc1c(Cl)nnc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@H+]3CC)c1CC ZINC001164660594 719350648 /nfs/dbraw/zinc/35/06/48/719350648.db2.gz VVRZIIWYHMOBBY-UHFFFAOYSA-N 1 2 465.045 4.950 20 0 JJADLO CCc1c(Cl)nnc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@@H+]3CC)c1CC ZINC001164660594 719350652 /nfs/dbraw/zinc/35/06/52/719350652.db2.gz VVRZIIWYHMOBBY-UHFFFAOYSA-N 1 2 465.045 4.950 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)ncc1SC)CC2 ZINC001164660504 719350952 /nfs/dbraw/zinc/35/09/52/719350952.db2.gz UNYZPNIJVSFERN-UHFFFAOYSA-N 1 2 455.031 4.547 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)ncc1SC)CC2 ZINC001164660504 719350955 /nfs/dbraw/zinc/35/09/55/719350955.db2.gz UNYZPNIJVSFERN-UHFFFAOYSA-N 1 2 455.031 4.547 20 0 JJADLO CCOC(=O)c1cnc(Cl)c(C)c1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@H+]2CC ZINC001164660713 719350993 /nfs/dbraw/zinc/35/09/93/719350993.db2.gz XTVKGZAXQVPZLH-UHFFFAOYSA-N 1 2 494.039 4.915 20 0 JJADLO CCOC(=O)c1cnc(Cl)c(C)c1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@@H+]2CC ZINC001164660713 719350997 /nfs/dbraw/zinc/35/09/97/719350997.db2.gz XTVKGZAXQVPZLH-UHFFFAOYSA-N 1 2 494.039 4.915 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc(-c3cccc(OC)c3)n1)CC2 ZINC001164658589 719352506 /nfs/dbraw/zinc/35/25/06/719352506.db2.gz JVWOQPCAHDEIQT-UHFFFAOYSA-N 1 2 480.616 4.847 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc(-c3cccc(OC)c3)n1)CC2 ZINC001164658589 719352511 /nfs/dbraw/zinc/35/25/11/719352511.db2.gz JVWOQPCAHDEIQT-UHFFFAOYSA-N 1 2 480.616 4.847 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc3ccccc3nc1N1CCCC1)CC2 ZINC001164659953 719353093 /nfs/dbraw/zinc/35/30/93/719353093.db2.gz SWBSIVREXHITJL-UHFFFAOYSA-N 1 2 493.659 4.925 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc3ccccc3nc1N1CCCC1)CC2 ZINC001164659953 719353097 /nfs/dbraw/zinc/35/30/97/719353097.db2.gz SWBSIVREXHITJL-UHFFFAOYSA-N 1 2 493.659 4.925 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc(-c3ccccc3OC)n1)CC2 ZINC001164658414 719353672 /nfs/dbraw/zinc/35/36/72/719353672.db2.gz GJWRNKAMSLHRNQ-UHFFFAOYSA-N 1 2 480.616 4.847 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc(-c3ccccc3OC)n1)CC2 ZINC001164658414 719353679 /nfs/dbraw/zinc/35/36/79/719353679.db2.gz GJWRNKAMSLHRNQ-UHFFFAOYSA-N 1 2 480.616 4.847 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc3c(OC)cccc31)CC2 ZINC001164658921 719354536 /nfs/dbraw/zinc/35/45/36/719354536.db2.gz LXXPMVCGKJWYJJ-UHFFFAOYSA-N 1 2 453.590 4.938 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc3c(OC)cccc31)CC2 ZINC001164658921 719354539 /nfs/dbraw/zinc/35/45/39/719354539.db2.gz LXXPMVCGKJWYJJ-UHFFFAOYSA-N 1 2 453.590 4.938 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C)nc(-c3ccco3)n1)CC2 ZINC001164659504 719354628 /nfs/dbraw/zinc/35/46/28/719354628.db2.gz PMIHCPXYUPYXSE-UHFFFAOYSA-N 1 2 454.578 4.740 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C)nc(-c3ccco3)n1)CC2 ZINC001164659504 719354632 /nfs/dbraw/zinc/35/46/32/719354632.db2.gz PMIHCPXYUPYXSE-UHFFFAOYSA-N 1 2 454.578 4.740 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc3c(cccc3C(=O)OC)n1)CC2 ZINC001164658580 719355415 /nfs/dbraw/zinc/35/54/15/719355415.db2.gz JNDGOABYSFAMEE-UHFFFAOYSA-N 1 2 481.600 4.716 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc3c(cccc3C(=O)OC)n1)CC2 ZINC001164658580 719355416 /nfs/dbraw/zinc/35/54/16/719355416.db2.gz JNDGOABYSFAMEE-UHFFFAOYSA-N 1 2 481.600 4.716 20 0 JJADLO CCc1nc2sccc2c(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@H+]3CC)n1 ZINC001164659526 719355473 /nfs/dbraw/zinc/35/54/73/719355473.db2.gz QONKKUCBTXWSET-UHFFFAOYSA-N 1 2 458.635 4.948 20 0 JJADLO CCc1nc2sccc2c(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@@H+]3CC)n1 ZINC001164659526 719355477 /nfs/dbraw/zinc/35/54/77/719355477.db2.gz QONKKUCBTXWSET-UHFFFAOYSA-N 1 2 458.635 4.948 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C3CC3)nc3[nH]ccc31)CC2 ZINC001164664957 719356141 /nfs/dbraw/zinc/35/61/41/719356141.db2.gz SWDQQDUGQHNNPE-UHFFFAOYSA-N 1 2 453.594 4.530 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C3CC3)nc3[nH]ccc31)CC2 ZINC001164664957 719356144 /nfs/dbraw/zinc/35/61/44/719356144.db2.gz SWDQQDUGQHNNPE-UHFFFAOYSA-N 1 2 453.594 4.530 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(SC)nc(SC)n1)CC2 ZINC001164663944 719356287 /nfs/dbraw/zinc/35/62/87/719356287.db2.gz JMDJNKIOTOBMQC-UHFFFAOYSA-N 1 2 466.680 4.615 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(SC)nc(SC)n1)CC2 ZINC001164663944 719356289 /nfs/dbraw/zinc/35/62/89/719356289.db2.gz JMDJNKIOTOBMQC-UHFFFAOYSA-N 1 2 466.680 4.615 20 0 JJADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2cccc(-c4cccc(Cl)n4)n2)CC3)cc1 ZINC001164671283 719507819 /nfs/dbraw/zinc/50/78/19/719507819.db2.gz DNAUXMKCLUODDW-UHFFFAOYSA-N 1 2 452.961 4.808 20 0 JJADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2cccc(-c4cccc(Cl)n4)n2)CC3)cc1 ZINC001164671283 719507828 /nfs/dbraw/zinc/50/78/28/719507828.db2.gz DNAUXMKCLUODDW-UHFFFAOYSA-N 1 2 452.961 4.808 20 0 JJADLO CC(C)(C)OC(=O)c1cnc(Cl)cc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164673406 719513810 /nfs/dbraw/zinc/51/38/10/719513810.db2.gz SHXSHULPNCGMMS-UHFFFAOYSA-N 1 2 475.992 4.701 20 0 JJADLO CC(C)(C)OC(=O)c1cnc(Cl)cc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164673406 719513822 /nfs/dbraw/zinc/51/38/22/719513822.db2.gz SHXSHULPNCGMMS-UHFFFAOYSA-N 1 2 475.992 4.701 20 0 JJADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2ncnc4c(-c5ccccc5)nsc42)CC3)cc1 ZINC001164669991 719523305 /nfs/dbraw/zinc/52/33/05/719523305.db2.gz AMLXARGIMAGPQY-UHFFFAOYSA-N 1 2 475.593 4.764 20 0 JJADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2ncnc4c(-c5ccccc5)nsc42)CC3)cc1 ZINC001164669991 719523309 /nfs/dbraw/zinc/52/33/09/719523309.db2.gz AMLXARGIMAGPQY-UHFFFAOYSA-N 1 2 475.593 4.764 20 0 JJADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc(Cl)nc2c1CCCCC2 ZINC001164724625 720318604 /nfs/dbraw/zinc/31/86/04/720318604.db2.gz SENGFNJNXIMJBP-HXUWFJFHSA-N 1 2 465.976 4.566 20 0 JJADLO FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164759270 720973701 /nfs/dbraw/zinc/97/37/01/720973701.db2.gz ZKLRBUFCHINCES-CQSZACIVSA-N 1 2 468.335 4.741 20 0 JJADLO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2Cc3cncn3C[C@@H](COCC3CC3)C2)n1 ZINC001164758517 720981672 /nfs/dbraw/zinc/98/16/72/720981672.db2.gz VSEOSLLWTZGNNS-FQEVSTJZSA-N 1 2 488.661 4.679 20 0 JJADLO COc1ccccc1-c1cc(C(F)(F)N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)c(Cl)nn1 ZINC001164756812 720984113 /nfs/dbraw/zinc/98/41/13/720984113.db2.gz LNNDOWRSNBWISF-QGZVFWFLSA-N 1 2 489.954 4.610 20 0 JJADLO Fc1ccc(-c2cc(C(F)(F)N3Cc4c[nH+]cn4C[C@H](COCC4CC4)C3)c(Cl)nn2)cc1 ZINC001164757823 720984563 /nfs/dbraw/zinc/98/45/63/720984563.db2.gz QZZQXEXENKETPH-INIZCTEOSA-N 1 2 477.918 4.741 20 0 JJADLO Cc1ccc(-c2cc(C(F)(F)N3Cc4c[nH+]cn4C[C@@H](COCC4CC4)C3)c(Cl)nn2)cc1 ZINC001164757595 720985131 /nfs/dbraw/zinc/98/51/31/720985131.db2.gz PJMXHHSJHKNQSU-GOSISDBHSA-N 1 2 473.955 4.910 20 0 JJADLO Cc1cccc(-c2cc(C(F)(F)N3Cc4c[nH+]cn4C[C@H](COCC4CC4)C3)c(Cl)nn2)c1 ZINC001164758916 720985998 /nfs/dbraw/zinc/98/59/98/720985998.db2.gz WSTKFVASUFXKIH-SFHVURJKSA-N 1 2 473.955 4.910 20 0 JJADLO FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164876010 721219749 /nfs/dbraw/zinc/21/97/49/721219749.db2.gz ZHRVHBBOPLWWKM-UHFFFAOYSA-N 1 2 463.743 4.858 20 0 JJADLO FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164768157 721274264 /nfs/dbraw/zinc/27/42/64/721274264.db2.gz KSUACZRCAYMMHD-CQSZACIVSA-N 1 2 491.329 4.788 20 0 JJADLO FC(F)(c1cccc2ccnc(Cl)c21)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164766275 721274672 /nfs/dbraw/zinc/27/46/72/721274672.db2.gz BFLUVVCAJURDFU-INIZCTEOSA-N 1 2 455.896 4.740 20 0 JJADLO FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164768191 721276497 /nfs/dbraw/zinc/27/64/97/721276497.db2.gz LTJDZYYOMQNMIT-QGZVFWFLSA-N 1 2 482.922 4.649 20 0 JJADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2ccc(OCc3ccc(Cl)nc3)cc2)CC1 ZINC001164918565 721820253 /nfs/dbraw/zinc/82/02/53/721820253.db2.gz FXIOTKYGYGXMCO-UHFFFAOYSA-N 1 2 487.982 4.805 20 0 JJADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2ccc(OCc3ccc(Cl)nc3)cc2)CC1 ZINC001164918565 721820255 /nfs/dbraw/zinc/82/02/55/721820255.db2.gz FXIOTKYGYGXMCO-UHFFFAOYSA-N 1 2 487.982 4.805 20 0 JJADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2cc(Cl)nc(-c3ccc(F)c(Cl)c3)n2)CC1 ZINC001164919498 721821315 /nfs/dbraw/zinc/82/13/15/721821315.db2.gz RYAWABHWNRBYFW-UHFFFAOYSA-N 1 2 461.372 4.536 20 0 JJADLO COc1cccc(-c2cc(C(F)(F)N3CCC4(CC3)c3ncc(C)n3CC[N@H+]4C)cnc2Cl)c1 ZINC001164919439 721822119 /nfs/dbraw/zinc/82/21/19/721822119.db2.gz QWYSZTDIZLKMCX-UHFFFAOYSA-N 1 2 487.982 4.902 20 0 JJADLO COc1cccc(-c2cc(C(F)(F)N3CCC4(CC3)c3ncc(C)n3CC[N@@H+]4C)cnc2Cl)c1 ZINC001164919439 721822123 /nfs/dbraw/zinc/82/21/23/721822123.db2.gz QWYSZTDIZLKMCX-UHFFFAOYSA-N 1 2 487.982 4.902 20 0 JJADLO COc1ccccc1-c1cc(C(F)(F)N2CC[NH+](CCOc3ccccc3)CC2)c(Cl)nn1 ZINC001165047157 721962150 /nfs/dbraw/zinc/96/21/50/721962150.db2.gz SAPTWSCXFAXYSX-UHFFFAOYSA-N 1 2 474.939 4.552 20 0 JJADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cnc(Cl)nc1Oc1ccccc1Cl)CC2 ZINC001164950649 721981593 /nfs/dbraw/zinc/98/15/93/721981593.db2.gz WLRFKIXBGHBTAM-UHFFFAOYSA-N 1 2 498.414 4.547 20 0 JJADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cnc(Cl)nc1Oc1ccccc1Cl)CC2 ZINC001164950649 721981594 /nfs/dbraw/zinc/98/15/94/721981594.db2.gz WLRFKIXBGHBTAM-UHFFFAOYSA-N 1 2 498.414 4.547 20 0 JJADLO C[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)cc1 ZINC001545865139 1064273065 /nfs/dbraw/zinc/27/30/65/1064273065.db2.gz PDMVPDSQKUOOPH-LJQANCHMSA-N 1 2 452.599 4.978 20 0 JJADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc(OC(F)(F)F)cc1Br ZINC001434867477 1064305014 /nfs/dbraw/zinc/30/50/14/1064305014.db2.gz NZCOSVWQSSRNEP-UHFFFAOYSA-N 1 2 454.246 4.523 20 0 JJADLO O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)[C@@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001434887305 1064319481 /nfs/dbraw/zinc/31/94/81/1064319481.db2.gz SWQVHMDUICTEPJ-MDNUFGMLSA-N 1 2 457.412 4.870 20 0 JJADLO O=C(Nc1nc2ccccc2n1CCCn1cc[nH+]c1)c1ccc(Cl)c(Br)c1 ZINC001359790567 1064447285 /nfs/dbraw/zinc/44/72/85/1064447285.db2.gz QYQGFTUOJMJVDG-UHFFFAOYSA-N 1 2 458.747 4.991 20 0 JJADLO CC(C)Cc1nnc(N2CCOC3(C2)CCCCCC3)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001359870860 1064562962 /nfs/dbraw/zinc/56/29/62/1064562962.db2.gz SZEDMRKCCROZSN-JOCHJYFZSA-N 1 2 475.628 4.987 20 0 JJADLO CC(C)C[C@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001359885733 1064580977 /nfs/dbraw/zinc/58/09/77/1064580977.db2.gz FJXRUAFLHJIVBS-DHIUTWEWSA-N 1 2 483.701 4.748 20 0 JJADLO CC(C)C[C@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001359885733 1064580990 /nfs/dbraw/zinc/58/09/90/1064580990.db2.gz FJXRUAFLHJIVBS-DHIUTWEWSA-N 1 2 483.701 4.748 20 0 JJADLO CCN(C(=O)C[C@H]1CCC[C@H](C(F)(F)F)O1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001435239202 1064619017 /nfs/dbraw/zinc/61/90/17/1064619017.db2.gz HBEZEDXALDPAMD-RTBURBONSA-N 1 2 456.553 4.616 20 0 JJADLO CC(C)CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001359912423 1064631476 /nfs/dbraw/zinc/63/14/76/1064631476.db2.gz XIKODVVPVIZMQQ-NRFANRHFSA-N 1 2 483.661 4.508 20 0 JJADLO CC(C)CCN(c1nnc([C@H]2CCCOC2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C)C1CC1 ZINC001359924666 1064655856 /nfs/dbraw/zinc/65/58/56/1064655856.db2.gz WAWFLSKGWGJUMQ-PGRDOPGGSA-N 1 2 461.601 4.768 20 0 JJADLO CCOc1ccc(C(C)(C)C(=O)N(CC)CC2CCN(c3cccc[nH+]3)CC2)cc1OCC ZINC001435296132 1064672899 /nfs/dbraw/zinc/67/28/99/1064672899.db2.gz GSJTZDBXAGDJGT-UHFFFAOYSA-N 1 2 453.627 4.922 20 0 JJADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1sc(-c2ccc(OC)cc2)nc1C ZINC001435297816 1064673563 /nfs/dbraw/zinc/67/35/63/1064673563.db2.gz QKCKHNFVUOUIAR-UHFFFAOYSA-N 1 2 450.608 4.901 20 0 JJADLO CC(C)CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001359970871 1064747085 /nfs/dbraw/zinc/74/70/85/1064747085.db2.gz HJRNEIVRRSHUGS-IBGZPJMESA-N 1 2 495.416 4.719 20 0 JJADLO CC(C)CN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H](C)[NH+]1CCOCC1)C1CCCC1 ZINC001359983021 1064759091 /nfs/dbraw/zinc/75/90/91/1064759091.db2.gz KLDQQUPYNSKNCH-NHCUHLMSSA-N 1 2 473.637 4.683 20 0 JJADLO CC(C)CN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H](C)[NH+]1CCOCC1)C1CCCC1 ZINC001359983020 1064759222 /nfs/dbraw/zinc/75/92/22/1064759222.db2.gz KLDQQUPYNSKNCH-LEWJYISDSA-N 1 2 473.637 4.683 20 0 JJADLO CC(C)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001359983071 1064759372 /nfs/dbraw/zinc/75/93/72/1064759372.db2.gz PVDSOVCYGPFHFG-QFIPXVFZSA-N 1 2 497.619 4.815 20 0 JJADLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(OC)c(C(C)C)c(OC)c1 ZINC001435627320 1064889139 /nfs/dbraw/zinc/88/91/39/1064889139.db2.gz YFOUSLRDFKNAHP-AUSIDOKSSA-N 1 2 453.627 4.903 20 0 JJADLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(OC)c(C(C)C)c(OC)c1 ZINC001435627320 1064889147 /nfs/dbraw/zinc/88/91/47/1064889147.db2.gz YFOUSLRDFKNAHP-AUSIDOKSSA-N 1 2 453.627 4.903 20 0 JJADLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(OC)c(C(C)C)c(OC)c1 ZINC001435627322 1064889641 /nfs/dbraw/zinc/88/96/41/1064889641.db2.gz YFOUSLRDFKNAHP-WMZHIEFXSA-N 1 2 453.627 4.903 20 0 JJADLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(OC)c(C(C)C)c(OC)c1 ZINC001435627322 1064889651 /nfs/dbraw/zinc/88/96/51/1064889651.db2.gz YFOUSLRDFKNAHP-WMZHIEFXSA-N 1 2 453.627 4.903 20 0 JJADLO CC(C)CSCCn1c(-c2ccc[nH]2)nnc1N1CC[NH+]([C@@H](C)c2ccc(F)cc2F)CC1 ZINC001360083931 1064945826 /nfs/dbraw/zinc/94/58/26/1064945826.db2.gz VXEJBVGTAXORMI-SFHVURJKSA-N 1 2 474.625 4.824 20 0 JJADLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)c2cc(Br)ccc2Cl)c2ccc(Cl)cc2)C1 ZINC001435745647 1064970060 /nfs/dbraw/zinc/97/00/60/1064970060.db2.gz FLDSVYJREREPRC-MSOLQXFVSA-N 1 2 458.183 4.558 20 0 JJADLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)c2cc(Br)ccc2Cl)c2ccc(Cl)cc2)C1 ZINC001435745647 1064970075 /nfs/dbraw/zinc/97/00/75/1064970075.db2.gz FLDSVYJREREPRC-MSOLQXFVSA-N 1 2 458.183 4.558 20 0 JJADLO Cc1cccc(Oc2ccc(C(=O)N[C@H](c3ccc(Cl)cc3)[C@H]3C[N@H+](C)CCO3)nc2)c1 ZINC001435747559 1064971429 /nfs/dbraw/zinc/97/14/29/1064971429.db2.gz KLDFJVQSFWSYFK-DNQXCXABSA-N 1 2 451.954 4.637 20 0 JJADLO Cc1cccc(Oc2ccc(C(=O)N[C@H](c3ccc(Cl)cc3)[C@H]3C[N@@H+](C)CCO3)nc2)c1 ZINC001435747559 1064971439 /nfs/dbraw/zinc/97/14/39/1064971439.db2.gz KLDFJVQSFWSYFK-DNQXCXABSA-N 1 2 451.954 4.637 20 0 JJADLO Cc1ccc(Oc2ccccc2CNC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)cc1 ZINC001360148636 1065051237 /nfs/dbraw/zinc/05/12/37/1065051237.db2.gz KPKJSTRHYFGYIJ-UHFFFAOYSA-N 1 2 454.530 4.943 20 0 JJADLO O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC001436027546 1065122753 /nfs/dbraw/zinc/12/27/53/1065122753.db2.gz JNZZDYCHYMQNFT-UHFFFAOYSA-N 1 2 457.983 4.732 20 0 JJADLO C[C@@H]1CCCC[C@@H]1CC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(I)cc1 ZINC001436049259 1065143161 /nfs/dbraw/zinc/14/31/61/1065143161.db2.gz YBDHBAWMQWGFTB-YVWKXTFCSA-N 1 2 454.396 4.588 20 0 JJADLO C[C@@H]1CCCC[C@@H]1CC(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(I)cc1 ZINC001436049259 1065143167 /nfs/dbraw/zinc/14/31/67/1065143167.db2.gz YBDHBAWMQWGFTB-YVWKXTFCSA-N 1 2 454.396 4.588 20 0 JJADLO CC(C)OCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001360376373 1065234509 /nfs/dbraw/zinc/23/45/09/1065234509.db2.gz BRDPANBKFCXXMC-UHFFFAOYSA-N 1 2 469.033 4.827 20 0 JJADLO O=C(NCCOc1ccc(Cl)c(F)c1)[C@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001436272934 1065283477 /nfs/dbraw/zinc/28/34/77/1065283477.db2.gz ZTHIVFWJKDPGDZ-IBGZPJMESA-N 1 2 455.755 4.574 20 0 JJADLO CC(C)C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1ccnc(N2CC[C@H](C)C2)c1 ZINC001436519065 1065340245 /nfs/dbraw/zinc/34/02/45/1065340245.db2.gz AFHMUOXVFLZVKD-GBXCKJPGSA-N 1 2 455.046 4.954 20 0 JJADLO CC(C)C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1ccnc(N2CC[C@H](C)C2)c1 ZINC001436519065 1065340258 /nfs/dbraw/zinc/34/02/58/1065340258.db2.gz AFHMUOXVFLZVKD-GBXCKJPGSA-N 1 2 455.046 4.954 20 0 JJADLO Cc1cc(NC(=O)C[N@H+](CCNC(=O)OC(C)(C)C)Cc2ccccc2)ccc1OC(C)C ZINC001360455491 1065355311 /nfs/dbraw/zinc/35/53/11/1065355311.db2.gz MUXWIURDIYJLQE-UHFFFAOYSA-N 1 2 455.599 4.748 20 0 JJADLO Cc1cc(NC(=O)C[N@@H+](CCNC(=O)OC(C)(C)C)Cc2ccccc2)ccc1OC(C)C ZINC001360455491 1065355319 /nfs/dbraw/zinc/35/53/19/1065355319.db2.gz MUXWIURDIYJLQE-UHFFFAOYSA-N 1 2 455.599 4.748 20 0 JJADLO COc1cccc([C@H]2C[C@H](N(C)C(=O)[C@@H](c3ccc(Br)cc3)[NH+]3CCCC3)C2)c1 ZINC001436697813 1065424418 /nfs/dbraw/zinc/42/44/18/1065424418.db2.gz KYSKKPAEQIHZAN-KJXAQDMKSA-N 1 2 457.412 4.999 20 0 JJADLO Cc1cc(CNC(=O)c2cccc(NC(=O)Cc3ccc(Br)cc3)c2)cc(C)[nH+]1 ZINC001436878950 1065463628 /nfs/dbraw/zinc/46/36/28/1065463628.db2.gz DYFHRXAKJXGTJZ-UHFFFAOYSA-N 1 2 452.352 4.572 20 0 JJADLO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2C(C)C)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001545902704 1065466909 /nfs/dbraw/zinc/46/69/09/1065466909.db2.gz VXTFDWLSTHAOCM-QHCPKHFHSA-N 1 2 481.689 4.645 20 0 JJADLO C[C@@H](Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCCC(C)(C)C1)[NH+]1CCOCC1 ZINC001360584371 1065584424 /nfs/dbraw/zinc/58/44/24/1065584424.db2.gz WIENNAYEQUACSG-NRFANRHFSA-N 1 2 469.674 4.502 20 0 JJADLO CCN(C(=O)c1cc(Br)cs1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001360638148 1065701687 /nfs/dbraw/zinc/70/16/87/1065701687.db2.gz YAIFZLFYJAUFTK-UHFFFAOYSA-N 1 2 451.434 4.864 20 0 JJADLO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(-c3ccccc3)n2CCCNc2cccc[nH+]2)C1 ZINC001360638955 1065705881 /nfs/dbraw/zinc/70/58/81/1065705881.db2.gz LPGAKNFTSAZLBL-IFMALSPDSA-N 1 2 491.640 4.582 20 0 JJADLO Cn1cc(C(=O)NCCN(Cc2ccccc2)c2cccc[nH+]2)c(-c2ccc(Cl)s2)n1 ZINC001439109115 1065787614 /nfs/dbraw/zinc/78/76/14/1065787614.db2.gz CCKNTHUYMRPZOA-UHFFFAOYSA-N 1 2 451.983 4.634 20 0 JJADLO C[C@H]1Cc2cc(C(F)(F)F)cc(Cl)c2N(C(=O)C2CC[NH+](Cc3nccn3C)CC2)C1 ZINC001439195797 1065797105 /nfs/dbraw/zinc/79/71/05/1065797105.db2.gz CIAPNKZQJDDULP-AWEZNQCLSA-N 1 2 454.924 4.530 20 0 JJADLO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CC(F)(F)F)n1CCCNc1cccc[nH+]1 ZINC001360754020 1065802367 /nfs/dbraw/zinc/80/23/67/1065802367.db2.gz MULJVSFSGFXXTQ-OAHLLOKOSA-N 1 2 468.911 4.967 20 0 JJADLO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CC2CC(F)(F)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001360754688 1065807274 /nfs/dbraw/zinc/80/72/74/1065807274.db2.gz ZDUVHMYRFGSRDC-QGZVFWFLSA-N 1 2 498.018 4.664 20 0 JJADLO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CC2CC(F)(F)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001360754688 1065807292 /nfs/dbraw/zinc/80/72/92/1065807292.db2.gz ZDUVHMYRFGSRDC-QGZVFWFLSA-N 1 2 498.018 4.664 20 0 JJADLO CC(C)N(Cc1ccco1)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001360756501 1065814984 /nfs/dbraw/zinc/81/49/84/1065814984.db2.gz VOFXFOVFHWYUSN-VQTJNVASSA-N 1 2 488.032 4.800 20 0 JJADLO CC(C)N(Cc1ccco1)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001360756501 1065814999 /nfs/dbraw/zinc/81/49/99/1065814999.db2.gz VOFXFOVFHWYUSN-VQTJNVASSA-N 1 2 488.032 4.800 20 0 JJADLO CC(C)N(Cc1ccco1)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001360756502 1065815439 /nfs/dbraw/zinc/81/54/39/1065815439.db2.gz VOFXFOVFHWYUSN-WOJBJXKFSA-N 1 2 488.032 4.800 20 0 JJADLO CC(C)N(Cc1ccco1)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC[N@H+]1CCOC[C@H]1C ZINC001360756502 1065815444 /nfs/dbraw/zinc/81/54/44/1065815444.db2.gz VOFXFOVFHWYUSN-WOJBJXKFSA-N 1 2 488.032 4.800 20 0 JJADLO C[C@@H](Oc1ccccc1F)c1nnc(N(C)C2CCCCC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001360762524 1065839550 /nfs/dbraw/zinc/83/95/50/1065839550.db2.gz GWYXFQXYIOQUEJ-GOSISDBHSA-N 1 2 452.578 4.835 20 0 JJADLO CC(C)[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCNc2cccc[nH+]2)C1 ZINC001360769082 1065859901 /nfs/dbraw/zinc/85/99/01/1065859901.db2.gz CZMBANOVDCSMDC-VQTJNVASSA-N 1 2 452.578 4.937 20 0 JJADLO CC(C)[C@H]1CCCN1c1nnc([C@H](C)Oc2ccccc2F)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001360774954 1065875828 /nfs/dbraw/zinc/87/58/28/1065875828.db2.gz QDUOMYXSBWOYHU-GHTZIAJQSA-N 1 2 452.578 4.691 20 0 JJADLO CC(C)[C@H]1CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001360774960 1065875857 /nfs/dbraw/zinc/87/58/57/1065875857.db2.gz QDUOMYXSBWOYHU-WIYYLYMNSA-N 1 2 452.578 4.691 20 0 JJADLO CC(C)[C@@H]1CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001360774956 1065875964 /nfs/dbraw/zinc/87/59/64/1065875964.db2.gz QDUOMYXSBWOYHU-NQIIRXRSSA-N 1 2 452.578 4.691 20 0 JJADLO O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)N(CC(F)(F)F)c2ccc(Cl)cc2)c1 ZINC001440125536 1065914439 /nfs/dbraw/zinc/91/44/39/1065914439.db2.gz ZFDLPUMOJAGCAE-UHFFFAOYSA-N 1 2 450.848 4.774 20 0 JJADLO Cc1c[nH+]c2cc(C(=O)Nc3ccc(C)c(S(=O)(=O)Nc4cccc(Cl)c4)c3)ccn12 ZINC001440384714 1065936209 /nfs/dbraw/zinc/93/62/09/1065936209.db2.gz KRCVDTBHYMJAKW-UHFFFAOYSA-N 1 2 454.939 4.658 20 0 JJADLO O=C(c1cccc(OCc2ccc(Cl)cc2)c1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001440485944 1065943663 /nfs/dbraw/zinc/94/36/63/1065943663.db2.gz XUYGSGKAHPFPPO-UHFFFAOYSA-N 1 2 450.966 4.756 20 0 JJADLO C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC001440487917 1065944077 /nfs/dbraw/zinc/94/40/77/1065944077.db2.gz XNCYOZZQZIWREH-QGZVFWFLSA-N 1 2 454.920 4.761 20 0 JJADLO O=C(NCc1ccccc1C[NH+]1CCOCC1)[C@@H](Sc1ccc(F)cc1)c1ccccc1 ZINC001440646683 1065957575 /nfs/dbraw/zinc/95/75/75/1065957575.db2.gz IWXBRJRRUYAMNV-VWLOTQADSA-N 1 2 450.579 4.808 20 0 JJADLO COc1ccc(OCC(=O)N2CC[NH+](Cc3ccc(-c4ccccc4Cl)s3)CC2)cc1 ZINC001440648441 1065958152 /nfs/dbraw/zinc/95/81/52/1065958152.db2.gz BUTKUCSTGJJJGF-UHFFFAOYSA-N 1 2 456.995 4.800 20 0 JJADLO C[C@@](O)(Cc1ccccc1)C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC001440648679 1065958479 /nfs/dbraw/zinc/95/84/79/1065958479.db2.gz CVYZMDGPUINRIB-RUZDIDTESA-N 1 2 455.023 4.706 20 0 JJADLO CC(C)CCn1cc(C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4Cl)s3)CC2)nn1 ZINC001440652136 1065959201 /nfs/dbraw/zinc/95/92/01/1065959201.db2.gz QEQJTFLTROSZID-UHFFFAOYSA-N 1 2 458.031 4.664 20 0 JJADLO CC[C@@](O)(CC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1)c1ccccc1 ZINC001440679201 1065964385 /nfs/dbraw/zinc/96/43/85/1065964385.db2.gz FEPHIUCNSOCHHA-AREMUKBSSA-N 1 2 452.595 4.886 20 0 JJADLO Cc1nc(NCc2cccc(C(=O)Nc3ccccc3C(=O)NCc3ccccc3)c2)cc[nH+]1 ZINC001440877641 1065988331 /nfs/dbraw/zinc/98/83/31/1065988331.db2.gz OQEHQSXBXMDAMB-UHFFFAOYSA-N 1 2 451.530 4.579 20 0 JJADLO COc1ccc([C@@H](CNC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)c2c[nH]c3ccccc32)cc1 ZINC001440890642 1065990412 /nfs/dbraw/zinc/99/04/12/1065990412.db2.gz ATBNYZMMGQHSGH-DENIHFKCSA-N 1 2 456.468 4.815 20 0 JJADLO COc1ccc([C@@H](CNC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)c2c[nH]c3ccccc32)cc1 ZINC001440890643 1065990467 /nfs/dbraw/zinc/99/04/67/1065990467.db2.gz ATBNYZMMGQHSGH-KNQAVFIVSA-N 1 2 456.468 4.815 20 0 JJADLO CC(C)(C)OC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC001440899413 1065992546 /nfs/dbraw/zinc/99/25/46/1065992546.db2.gz ZBOXAPRCASPAEJ-QFIPXVFZSA-N 1 2 452.599 4.590 20 0 JJADLO C[C@H](C(=O)N1CC[NH+](Cc2ccc(-c3cccc(Br)c3)s2)CC1)n1cccc1 ZINC001441034950 1066002590 /nfs/dbraw/zinc/00/25/90/1066002590.db2.gz CTHXYTPXLXWLSP-QGZVFWFLSA-N 1 2 458.425 4.885 20 0 JJADLO Cc1cccc(O[C@H](C)c2nnc(N(Cc3ccco3)C(C)C)n2C[C@H](C)[NH+]2CCOCC2)c1C ZINC001360870687 1066003377 /nfs/dbraw/zinc/00/33/77/1066003377.db2.gz PVGKYRLRIJRLRY-JTHBVZDNSA-N 1 2 481.641 4.764 20 0 JJADLO Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001441097836 1066007529 /nfs/dbraw/zinc/00/75/29/1066007529.db2.gz IXZQFFMMZIGPBJ-UHFFFAOYSA-N 1 2 458.484 4.550 20 0 JJADLO Cc1cccc(O[C@H](C)c2nnc(N3CCCCCCC3)n2CC[N@@H+]2CCOCC2(C)C)c1C ZINC001360873824 1066010644 /nfs/dbraw/zinc/01/06/44/1066010644.db2.gz IICWMCGKQQZNPX-HSZRJFAPSA-N 1 2 469.674 4.916 20 0 JJADLO Cc1cccc(O[C@H](C)c2nnc(N3CCCCCCC3)n2CC[N@H+]2CCOCC2(C)C)c1C ZINC001360873824 1066010655 /nfs/dbraw/zinc/01/06/55/1066010655.db2.gz IICWMCGKQQZNPX-HSZRJFAPSA-N 1 2 469.674 4.916 20 0 JJADLO CC(C)(C)OC(=O)N1CCC(c2nc(C(=O)Nc3ccccc3-n3cc[nH+]c3)cs2)CC1 ZINC001441180292 1066012067 /nfs/dbraw/zinc/01/20/67/1066012067.db2.gz UWJNFMNFVZEJGR-UHFFFAOYSA-N 1 2 453.568 4.696 20 0 JJADLO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1sc2cccc(Cl)c2c1Cl ZINC001441183798 1066012651 /nfs/dbraw/zinc/01/26/51/1066012651.db2.gz AJLAAFIGELYWJF-UHFFFAOYSA-N 1 2 452.382 4.899 20 0 JJADLO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC001441312869 1066024880 /nfs/dbraw/zinc/02/48/80/1066024880.db2.gz AQOKOYQRGNZMAC-HLIPFELVSA-N 1 2 468.013 4.816 20 0 JJADLO CN(C)c1ccc([NH+]2CCC(NC(=O)Cc3csc(-c4ccc(Cl)cc4)n3)CC2)cc1 ZINC001360881338 1066034454 /nfs/dbraw/zinc/03/44/54/1066034454.db2.gz QXCDNKOEDNMWQJ-UHFFFAOYSA-N 1 2 455.027 4.857 20 0 JJADLO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(C)=C(C)C3)n2CC[N@@H+]2CCOC[C@H]2C)c1 ZINC001360892123 1066043570 /nfs/dbraw/zinc/04/35/70/1066043570.db2.gz MKBBLCKVZCFEFN-HSZRJFAPSA-N 1 2 467.658 4.556 20 0 JJADLO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(C)=C(C)C3)n2CC[N@H+]2CCOC[C@H]2C)c1 ZINC001360892123 1066043583 /nfs/dbraw/zinc/04/35/83/1066043583.db2.gz MKBBLCKVZCFEFN-HSZRJFAPSA-N 1 2 467.658 4.556 20 0 JJADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2nc(Br)sc2C2CC2)C[C@H](C)O1 ZINC001441659517 1066058606 /nfs/dbraw/zinc/05/86/06/1066058606.db2.gz PZIIZUGIOJJRIO-BETUJISGSA-N 1 2 450.402 4.645 20 0 JJADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2nc(Br)sc2C2CC2)C[C@H](C)O1 ZINC001441659517 1066058615 /nfs/dbraw/zinc/05/86/15/1066058615.db2.gz PZIIZUGIOJJRIO-BETUJISGSA-N 1 2 450.402 4.645 20 0 JJADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C1(Cc2ccccc2Br)CC1 ZINC001360906083 1066060407 /nfs/dbraw/zinc/06/04/07/1066060407.db2.gz KQIKLQKBTHAMDD-UHFFFAOYSA-N 1 2 456.428 4.932 20 0 JJADLO CCN(C(=O)[C@@H](C)[C@@H]1OCCc2sccc21)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001360906602 1066060843 /nfs/dbraw/zinc/06/08/43/1066060843.db2.gz HOGWEUATOBRYLL-MBSDFSHPSA-N 1 2 456.656 4.737 20 0 JJADLO CCCOc1cc(OC)ccc1C(=O)N(CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001360906909 1066061393 /nfs/dbraw/zinc/06/13/93/1066061393.db2.gz NOTSSSUPCAWQHI-UHFFFAOYSA-N 1 2 454.615 4.837 20 0 JJADLO Cc1ccsc1CCn1c(C(C)C)nnc1N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC001360917986 1066073429 /nfs/dbraw/zinc/07/34/29/1066073429.db2.gz GEKNBRIMUNXFTE-LJQANCHMSA-N 1 2 459.685 4.585 20 0 JJADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3CCCCN3C(=O)OCc3ccccc3)n2)C1 ZINC001442024502 1066085968 /nfs/dbraw/zinc/08/59/68/1066085968.db2.gz XCAXIGNUETYNBE-RXVVDRJESA-N 1 2 456.612 4.505 20 0 JJADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3CCCCN3C(=O)OCc3ccccc3)n2)C1 ZINC001442024502 1066085978 /nfs/dbraw/zinc/08/59/78/1066085978.db2.gz XCAXIGNUETYNBE-RXVVDRJESA-N 1 2 456.612 4.505 20 0 JJADLO COc1c(C)c[nH+]c(CNC(=O)c2ccc3c(c2)[C@H](CNC(=O)OC(C)(C)C)CCC3)c1C ZINC001442657151 1066147400 /nfs/dbraw/zinc/14/74/00/1066147400.db2.gz LJEHOCUWLJEYIN-FQEVSTJZSA-N 1 2 453.583 4.582 20 0 JJADLO O=C(NCC[NH+]1Cc2ccccc2C1)c1ccccc1OCc1cccc(Br)c1 ZINC001442710538 1066154275 /nfs/dbraw/zinc/15/42/75/1066154275.db2.gz YNQHOQXLSQSEHR-UHFFFAOYSA-N 1 2 451.364 4.774 20 0 JJADLO COc1ccc(-c2nc(C)c(C(=O)N3CC[NH2+][C@H](c4ccc(Cl)cc4)C3)s2)cc1OC ZINC001454259589 1066259079 /nfs/dbraw/zinc/25/90/79/1066259079.db2.gz YDPLAJYBZUXESM-SFHVURJKSA-N 1 2 457.983 4.576 20 0 JJADLO CC[C@H](Cn1c(C)nnc1N(CC)CC1CCN(c2cccc[nH+]2)CC1)Oc1cccc(F)c1 ZINC001545954915 1066275080 /nfs/dbraw/zinc/27/50/80/1066275080.db2.gz MGLBDIOIQCJPKC-HSZRJFAPSA-N 1 2 466.605 4.721 20 0 JJADLO CCN1c2ccc(NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccc(Cl)cc3)cc2OCC(C)(C)C1=O ZINC001454512576 1066295024 /nfs/dbraw/zinc/29/50/24/1066295024.db2.gz NGFGXEKQUYGOPZ-NRFANRHFSA-N 1 2 455.986 4.715 20 0 JJADLO CCN1c2ccc(NC(=O)[C@@H]3CCC[N@H+]3Cc3ccc(Cl)cc3)cc2OCC(C)(C)C1=O ZINC001454512576 1066295032 /nfs/dbraw/zinc/29/50/32/1066295032.db2.gz NGFGXEKQUYGOPZ-NRFANRHFSA-N 1 2 455.986 4.715 20 0 JJADLO CC(C)(C)n1ncc(C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)c1Br ZINC001443383670 1066304286 /nfs/dbraw/zinc/30/42/86/1066304286.db2.gz CUGRUDIMSZMIJQ-UHFFFAOYSA-N 1 2 459.392 4.515 20 0 JJADLO CCCOc1cccc(CC(=O)N2CC[NH+](Cc3cccc(OCc4ccccc4)c3)CC2)c1 ZINC001454598285 1066308189 /nfs/dbraw/zinc/30/81/89/1066308189.db2.gz DYUFDYDMDGGNCB-UHFFFAOYSA-N 1 2 458.602 4.941 20 0 JJADLO O=C(c1cc(=O)[nH]c2ccc(F)cc21)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC001443630128 1066340479 /nfs/dbraw/zinc/34/04/79/1066340479.db2.gz FWWPFSLUXPVAMD-UHFFFAOYSA-N 1 2 456.880 4.801 20 0 JJADLO Cc1cc(N2CCN(c3nnc(-c4ccccc4F)n3CCC(C)(F)F)CC2)nc(C(C)C)[nH+]1 ZINC001361105456 1066354097 /nfs/dbraw/zinc/35/40/97/1066354097.db2.gz KRRKAMFJDUUUAV-UHFFFAOYSA-N 1 2 473.547 4.678 20 0 JJADLO Cc1cc(N2CCN(c3nnc(CC(C)C)n3CCc3cc(F)cc(F)c3)CC2)nc(C(C)C)[nH+]1 ZINC001361105536 1066354272 /nfs/dbraw/zinc/35/42/72/1066354272.db2.gz NQEJHIFHHKDRCA-UHFFFAOYSA-N 1 2 483.611 4.546 20 0 JJADLO Cc1cc(N2CCN(c3nnc(Cc4ccccc4F)n3CCC(C)C)CC2)nc(C(C)C)[nH+]1 ZINC001361105658 1066355251 /nfs/dbraw/zinc/35/52/51/1066355251.db2.gz RXVYSQJOZNZWGX-UHFFFAOYSA-N 1 2 465.621 4.603 20 0 JJADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3cc(Cl)c(F)cc3Br)CC2)c1 ZINC001443739264 1066361217 /nfs/dbraw/zinc/36/12/17/1066361217.db2.gz YEACZLVPYQUKNA-CYBMUJFWSA-N 1 2 455.755 4.769 20 0 JJADLO CN(CCCNC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1cccc[nH+]1 ZINC001455155908 1066366189 /nfs/dbraw/zinc/36/61/89/1066366189.db2.gz XFQMGNVQVWTTQK-UHFFFAOYSA-N 1 2 459.981 4.773 20 0 JJADLO Cc1[nH]c(-c2ccc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3OC(F)F)cc2)[nH+]c1C ZINC001455248250 1066374827 /nfs/dbraw/zinc/37/48/27/1066374827.db2.gz OUCHZDYXGSFFPX-LJQANCHMSA-N 1 2 454.477 4.538 20 0 JJADLO O=C(NCc1cc(F)ccc1Oc1ccc(F)c(Cl)c1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001455258330 1066376297 /nfs/dbraw/zinc/37/62/97/1066376297.db2.gz ORZRUATZRXMIRH-OAQYLSRUSA-N 1 2 450.913 4.670 20 0 JJADLO O=C(NCc1cc(F)ccc1Oc1ccc(F)c(Cl)c1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001455258330 1066376313 /nfs/dbraw/zinc/37/63/13/1066376313.db2.gz ORZRUATZRXMIRH-OAQYLSRUSA-N 1 2 450.913 4.670 20 0 JJADLO O=C(N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)c1ccc(OCc2ccncc2)cc1 ZINC001443879083 1066380359 /nfs/dbraw/zinc/38/03/59/1066380359.db2.gz HZPZSTMFKJYJBB-QFIPXVFZSA-N 1 2 453.945 4.848 20 0 JJADLO O=C(N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)c1ccc(OCc2ccncc2)cc1 ZINC001443879083 1066380372 /nfs/dbraw/zinc/38/03/72/1066380372.db2.gz HZPZSTMFKJYJBB-QFIPXVFZSA-N 1 2 453.945 4.848 20 0 JJADLO O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC001443893112 1066382923 /nfs/dbraw/zinc/38/29/23/1066382923.db2.gz QPDSRBSZLSSPON-UYAOXDASSA-N 1 2 459.776 4.990 20 0 JJADLO O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC001443893112 1066382938 /nfs/dbraw/zinc/38/29/38/1066382938.db2.gz QPDSRBSZLSSPON-UYAOXDASSA-N 1 2 459.776 4.990 20 0 JJADLO O=C(CCc1cc(C(F)(F)F)ccc1Br)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC001455445444 1066390936 /nfs/dbraw/zinc/39/09/36/1066390936.db2.gz YSJJWYRRVAMIFJ-GOSISDBHSA-N 1 2 459.281 4.713 20 0 JJADLO CC(C)(C)OC(=O)N1CCC2(CCCC[C@@H]2NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC001455492090 1066397219 /nfs/dbraw/zinc/39/72/19/1066397219.db2.gz DYBUEHYQFOWWEX-QFIPXVFZSA-N 1 2 452.599 4.621 20 0 JJADLO Cc1ccc([C@H](Cn2c(CC(C)(C)C)nnc2N2CCS[C@H](C(C)C)C2)[NH+]2CCOCC2)cc1 ZINC001361139495 1066415039 /nfs/dbraw/zinc/41/50/39/1066415039.db2.gz KQUMDADFJNYWMM-ZEQRLZLVSA-N 1 2 485.742 4.826 20 0 JJADLO Cc1ccc([C@@H](Cn2c(CC(C)(C)C)nnc2N2CCS[C@@H](C(C)C)C2)[NH+]2CCOCC2)cc1 ZINC001361139493 1066415088 /nfs/dbraw/zinc/41/50/88/1066415088.db2.gz KQUMDADFJNYWMM-DNQXCXABSA-N 1 2 485.742 4.826 20 0 JJADLO Cc1ncc(CN(C)c2nnc(CC(C)(C)C)n2C[C@H](c2ccc(C)cc2)[NH+]2CCOCC2)s1 ZINC001361139878 1066416560 /nfs/dbraw/zinc/41/65/60/1066416560.db2.gz QXGPHHHWHHBESM-HSZRJFAPSA-N 1 2 482.698 4.650 20 0 JJADLO Cc1ccc([C@@H](Cn2c(N(CCC(C)C)C3CC3)nnc2C(C)(C)C)[NH+]2CCOCC2)cc1 ZINC001361141381 1066420926 /nfs/dbraw/zinc/42/09/26/1066420926.db2.gz MIBKFVFXKAGXHF-XMMPIXPASA-N 1 2 453.675 4.972 20 0 JJADLO COc1ccc(-c2nc(C)c([C@H](C)NC(=O)[C@H]3CCCC[N@@H+]3Cc3cccnc3)s2)cc1 ZINC001444212535 1066429982 /nfs/dbraw/zinc/42/99/82/1066429982.db2.gz FVRHZGHZCUHQLR-HTAPYJJXSA-N 1 2 450.608 4.754 20 0 JJADLO COc1ccc(-c2nc(C)c([C@H](C)NC(=O)[C@H]3CCCC[N@H+]3Cc3cccnc3)s2)cc1 ZINC001444212535 1066429986 /nfs/dbraw/zinc/42/99/86/1066429986.db2.gz FVRHZGHZCUHQLR-HTAPYJJXSA-N 1 2 450.608 4.754 20 0 JJADLO Cc1ccc(C)c(OCc2nnc(N(C)C[C@H]3CCCOC3)n2CCCc2cccc(C)[nH+]2)c1 ZINC001361148657 1066435829 /nfs/dbraw/zinc/43/58/29/1066435829.db2.gz RIZHVHNZSNINNH-HSZRJFAPSA-N 1 2 463.626 4.673 20 0 JJADLO CCc1ccc(C[NH+]2CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3C)CC2)s1 ZINC001444342289 1066451575 /nfs/dbraw/zinc/45/15/75/1066451575.db2.gz DDSOJPUHCQLPPJ-QFIPXVFZSA-N 1 2 457.640 4.529 20 0 JJADLO Cc1[nH]c(-c2cccc(C(F)(F)F)c2)nc1C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC001444346068 1066452602 /nfs/dbraw/zinc/45/26/02/1066452602.db2.gz JMKWQPRRMLVAHN-UHFFFAOYSA-N 1 2 458.484 4.797 20 0 JJADLO CCCN(C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC001444509022 1066470210 /nfs/dbraw/zinc/47/02/10/1066470210.db2.gz PXFJLQXROMVVFY-YWZLYKJASA-N 1 2 453.414 4.790 20 0 JJADLO CCCN(C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC001444509022 1066470216 /nfs/dbraw/zinc/47/02/16/1066470216.db2.gz PXFJLQXROMVVFY-YWZLYKJASA-N 1 2 453.414 4.790 20 0 JJADLO Cc1ccc(-c2nnc(N(C)Cc3ccco3)n2Cc2ccc(N(C)C)[nH+]c2)cc1Br ZINC001361181445 1066503429 /nfs/dbraw/zinc/50/34/29/1066503429.db2.gz WGIFGLOCXVCXEO-UHFFFAOYSA-N 1 2 481.398 4.755 20 0 JJADLO CC[C@@]1(C)CCN(c2nnc(CSc3ccc(C)cc3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001546079309 1066507649 /nfs/dbraw/zinc/50/76/49/1066507649.db2.gz JLIQLOMIUBRZDR-VWLOTQADSA-N 1 2 457.688 4.616 20 0 JJADLO Cc1c(NC(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc(Br)cc1C(F)(F)F ZINC001456179407 1066530992 /nfs/dbraw/zinc/53/09/92/1066530992.db2.gz NLSKVXLGBFXKCG-QFSBIZTOSA-N 1 2 451.327 4.849 20 0 JJADLO C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)Oc1ccccc1Br ZINC001445341105 1066559485 /nfs/dbraw/zinc/55/94/85/1066559485.db2.gz YLOBIMPDUPZPBN-KXBFYZLASA-N 1 2 451.792 4.651 20 0 JJADLO C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)Oc1ccccc1Br ZINC001445341105 1066559500 /nfs/dbraw/zinc/55/95/00/1066559500.db2.gz YLOBIMPDUPZPBN-KXBFYZLASA-N 1 2 451.792 4.651 20 0 JJADLO Cc1ccc(-c2nnc(N3CC[NH+](CCOc4ccccc4Cl)CC3)n2CCSC(C)C)o1 ZINC001361226447 1066565011 /nfs/dbraw/zinc/56/50/11/1066565011.db2.gz XYADTRMNWAHFSW-UHFFFAOYSA-N 1 2 490.073 4.843 20 0 JJADLO Cc1ccc(CCn2c(C(C)C)nnc2N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)cc1 ZINC001361240920 1066582633 /nfs/dbraw/zinc/58/26/33/1066582633.db2.gz YKQNIXDVKOSVEX-QFIPXVFZSA-N 1 2 453.656 4.524 20 0 JJADLO Cc1ccc(CN(C)c2nnc(Cc3ccc(Cl)cc3)n2Cc2ccc(N(C)C)[nH+]c2)o1 ZINC001361257865 1066606236 /nfs/dbraw/zinc/60/62/36/1066606236.db2.gz JSOMXYKSJJZGIS-UHFFFAOYSA-N 1 2 450.974 4.569 20 0 JJADLO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC001456580770 1066630914 /nfs/dbraw/zinc/63/09/14/1066630914.db2.gz RAHDBWIVWVEIEL-UHFFFAOYSA-N 1 2 452.986 4.595 20 0 JJADLO CC[N@H+](CC(=O)N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1)Cc1ccccc1Cl ZINC001446241853 1066678143 /nfs/dbraw/zinc/67/81/43/1066678143.db2.gz GBEVDSBNJXSABX-UHFFFAOYSA-N 1 2 452.039 4.658 20 0 JJADLO CC[N@@H+](CC(=O)N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1)Cc1ccccc1Cl ZINC001446241853 1066678150 /nfs/dbraw/zinc/67/81/50/1066678150.db2.gz GBEVDSBNJXSABX-UHFFFAOYSA-N 1 2 452.039 4.658 20 0 JJADLO Cc1coc(C)c1Cn1c(CC(C)(C)C)nnc1N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC001492635079 1066718354 /nfs/dbraw/zinc/71/83/54/1066718354.db2.gz GVXPOVODMRICGT-OAQYLSRUSA-N 1 2 471.671 4.696 20 0 JJADLO CC1(C)CN(C(=O)c2cccnc2N2CC[NH+](Cc3cccc(Cl)c3)CC2)CC(C)(C)C1 ZINC001447367974 1066800181 /nfs/dbraw/zinc/80/01/81/1066800181.db2.gz QJDMHRXFXHFDRK-UHFFFAOYSA-N 1 2 455.046 4.956 20 0 JJADLO CC1CC[NH+](Cc2csc(NC(=O)[C@H](NC(=O)OCc3ccccc3)C(C)(C)C)n2)CC1 ZINC001457506235 1066845897 /nfs/dbraw/zinc/84/58/97/1066845897.db2.gz WWVSBAFETIIJFY-FQEVSTJZSA-N 1 2 458.628 4.655 20 0 JJADLO Cc1ncc(C[NH+]2CCN(c3nnc(C(C)(C)C)n3CCc3ccc(F)cc3Cl)CC2)s1 ZINC001492701913 1066859184 /nfs/dbraw/zinc/85/91/84/1066859184.db2.gz KWHOOZXRMOFYCI-UHFFFAOYSA-N 1 2 477.053 4.698 20 0 JJADLO Cc1nc(N2CCN(c3nnc(Cc4ccc(Cl)cc4)n3CCCC(C)(C)C)CC2)cc[nH+]1 ZINC001492704117 1066862449 /nfs/dbraw/zinc/86/24/49/1066862449.db2.gz QJBITUSSLMWBAM-UHFFFAOYSA-N 1 2 468.049 4.774 20 0 JJADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cn(-c3ccc(Cl)cc3)nc2C)[C@@H](C)C1 ZINC001448237974 1066913911 /nfs/dbraw/zinc/91/39/11/1066913911.db2.gz RXFNJQQYGRKLPR-SFHVURJKSA-N 1 2 452.986 4.579 20 0 JJADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cn(-c3ccc(Cl)cc3)nc2C)[C@@H](C)C1 ZINC001448237974 1066913924 /nfs/dbraw/zinc/91/39/24/1066913924.db2.gz RXFNJQQYGRKLPR-SFHVURJKSA-N 1 2 452.986 4.579 20 0 JJADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC001457781927 1066918777 /nfs/dbraw/zinc/91/87/77/1066918777.db2.gz NZKLERPYUWMPJY-JOCHJYFZSA-N 1 2 459.550 4.941 20 0 JJADLO Cc1nnc(N(C)Cc2cccc(OC(F)F)c2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001492780992 1066948058 /nfs/dbraw/zinc/94/80/58/1066948058.db2.gz IXIZAAGWRJDGRJ-UHFFFAOYSA-N 1 2 456.541 4.504 20 0 JJADLO CC[C@@H](c1nnc(N(C)CC(C)C)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1)c1ccccc1 ZINC001545722033 1066977015 /nfs/dbraw/zinc/97/70/15/1066977015.db2.gz MEEFUHJQGMPINW-XUZZJYLKSA-N 1 2 462.642 4.581 20 0 JJADLO CC[C@@H](c1nnc(N2C[C@@H](C)O[C@H](C(F)(F)F)C2)n1CCCNc1cccc[nH+]1)c1ccccc1 ZINC001545731103 1066989804 /nfs/dbraw/zinc/98/98/04/1066989804.db2.gz JURXDCTVCSFWNS-NRSPTQNISA-N 1 2 488.558 4.873 20 0 JJADLO CC[C@@H](c1nnc(N2C[C@H](C)O[C@@H](C)C2)n1Cc1ccc(N(CC)CC)[nH+]c1)c1ccccc1 ZINC001545731285 1066990689 /nfs/dbraw/zinc/99/06/89/1066990689.db2.gz MISHDJMRBZXXCR-AWRGLXIESA-N 1 2 462.642 4.723 20 0 JJADLO CC[C@H](c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1Cc1ccc(N(CC)CC)[nH+]c1)c1ccccc1 ZINC001545731286 1066990707 /nfs/dbraw/zinc/99/07/07/1066990707.db2.gz MISHDJMRBZXXCR-IMSXRSKXSA-N 1 2 462.642 4.723 20 0 JJADLO Cc1nc(NC[C@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)c(Br)c(C)[nH+]1 ZINC001458162858 1066993516 /nfs/dbraw/zinc/99/35/16/1066993516.db2.gz CQQULNWEBKIMFE-QGZVFWFLSA-N 1 2 453.812 4.773 20 0 JJADLO CC(C)(C)OC(=O)NCC[N@H+](CC(=O)N1CC[C@H]1c1ccc(Cl)cc1)Cc1ccccc1 ZINC001449261735 1066993593 /nfs/dbraw/zinc/99/35/93/1066993593.db2.gz FQMPEXRNLBWZGT-QFIPXVFZSA-N 1 2 458.002 4.640 20 0 JJADLO CC(C)(C)OC(=O)NCC[N@@H+](CC(=O)N1CC[C@H]1c1ccc(Cl)cc1)Cc1ccccc1 ZINC001449261735 1066993605 /nfs/dbraw/zinc/99/36/05/1066993605.db2.gz FQMPEXRNLBWZGT-QFIPXVFZSA-N 1 2 458.002 4.640 20 0 JJADLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)/C=C/c2ccc(-c3ccccc3Cl)s2)cn1 ZINC001449268892 1066994473 /nfs/dbraw/zinc/99/44/73/1066994473.db2.gz JDJLYCJKBYKSDN-VQHVLOKHSA-N 1 2 451.983 4.741 20 0 JJADLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)/C=C\c2ccc(-c3ccccc3Cl)s2)cn1 ZINC001449268782 1066994506 /nfs/dbraw/zinc/99/45/06/1066994506.db2.gz JDJLYCJKBYKSDN-CLFYSBASSA-N 1 2 451.983 4.741 20 0 JJADLO Cc1cc(C(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)c2ccc(F)cc2n1 ZINC001449309943 1066998092 /nfs/dbraw/zinc/99/80/92/1066998092.db2.gz KPILZVKGMMYKAQ-UHFFFAOYSA-N 1 2 457.303 4.577 20 0 JJADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)C2CCC(NC(=O)CC3CCCC3)CC2)c(C)c1 ZINC001458178757 1066998192 /nfs/dbraw/zinc/99/81/92/1066998192.db2.gz ATIBBLWDPQSAOP-RVMZIBIISA-N 1 2 450.627 4.613 20 0 JJADLO CC1(C)C[C@@H](C(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)c2ccccc2O1 ZINC001449311627 1066998351 /nfs/dbraw/zinc/99/83/51/1066998351.db2.gz FPDBDULZOMGYPK-GOSISDBHSA-N 1 2 458.356 4.612 20 0 JJADLO CSc1ccc(/C=C/C(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)s1 ZINC001449315423 1066998891 /nfs/dbraw/zinc/99/88/91/1066998891.db2.gz WZWNWGUFVYIJNP-ZZXKWVIFSA-N 1 2 452.399 4.764 20 0 JJADLO O=C(C1CCc2ccccc2CC1)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC001449377137 1067005419 /nfs/dbraw/zinc/00/54/19/1067005419.db2.gz UAQOAYJCTBRUDZ-UHFFFAOYSA-N 1 2 452.396 4.870 20 0 JJADLO O=C(c1cc(C2CC2)cnc1Cl)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC001449375570 1067005433 /nfs/dbraw/zinc/00/54/33/1067005433.db2.gz PHPDWMCFQIKUCE-UHFFFAOYSA-N 1 2 459.775 4.914 20 0 JJADLO O=C(c1cc(F)c(Cl)cc1F)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC001449378549 1067005603 /nfs/dbraw/zinc/00/56/03/1067005603.db2.gz YIJOOBADZSXBBX-UHFFFAOYSA-N 1 2 454.702 4.920 20 0 JJADLO O=C(Nc1c(Br)cc(F)cc1Br)c1cccc(Cn2cc[nH+]c2)c1 ZINC001458240706 1067010150 /nfs/dbraw/zinc/01/01/50/1067010150.db2.gz AZUQCXICPFWYLT-UHFFFAOYSA-N 1 2 453.109 4.848 20 0 JJADLO COc1cn(-c2ccccc2)nc1C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC001458253857 1067013256 /nfs/dbraw/zinc/01/32/56/1067013256.db2.gz CLBRRDWTPVVXCT-UHFFFAOYSA-N 1 2 459.377 4.582 20 0 JJADLO CC[C@@H](c1nnc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1CC(F)(F)F)c1ccccc1 ZINC001545756120 1067032879 /nfs/dbraw/zinc/03/28/79/1067032879.db2.gz AZYQENAOMSUFLM-HXUWFJFHSA-N 1 2 487.574 4.931 20 0 JJADLO Cc1ccc2[nH+]c(CSCC(=O)Nc3ccc(CN(C)C(=O)OC(C)(C)C)cc3)cn2c1 ZINC001449900396 1067035423 /nfs/dbraw/zinc/03/54/23/1067035423.db2.gz MUGYQOZJMJPNNC-UHFFFAOYSA-N 1 2 454.596 4.882 20 0 JJADLO CC[C@H](c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1CC[S@@](=O)C(C)(C)C)c1ccccc1 ZINC001545759097 1067041091 /nfs/dbraw/zinc/04/10/91/1067041091.db2.gz RRRXVNLDRRREGF-OHWKKVTOSA-N 1 2 499.750 4.751 20 0 JJADLO CC[C@@H](c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1CC[S@@](=O)C(C)(C)C)c1ccccc1 ZINC001545759094 1067041117 /nfs/dbraw/zinc/04/11/17/1067041117.db2.gz RRRXVNLDRRREGF-GRMGDBHTSA-N 1 2 499.750 4.751 20 0 JJADLO Cc1ccc2[nH+]c(CSCC(=O)Nc3ccc(C)c(S(=O)(=O)C4CCCC4)c3)cn2c1 ZINC001450045793 1067043884 /nfs/dbraw/zinc/04/38/84/1067043884.db2.gz FNZBIHMQEAWUEI-UHFFFAOYSA-N 1 2 457.621 4.539 20 0 JJADLO Cc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)cc1Oc1ccncc1 ZINC001458451316 1067064899 /nfs/dbraw/zinc/06/48/99/1067064899.db2.gz GSWMWMKQDZJEPL-BJKOFHAPSA-N 1 2 451.954 4.637 20 0 JJADLO Cc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)cc1Oc1ccncc1 ZINC001458451316 1067064913 /nfs/dbraw/zinc/06/49/13/1067064913.db2.gz GSWMWMKQDZJEPL-BJKOFHAPSA-N 1 2 451.954 4.637 20 0 JJADLO Cc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)cc1Oc1ccncc1 ZINC001458451319 1067065043 /nfs/dbraw/zinc/06/50/43/1067065043.db2.gz GSWMWMKQDZJEPL-DNQXCXABSA-N 1 2 451.954 4.637 20 0 JJADLO Cc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)cc1Oc1ccncc1 ZINC001458451319 1067065055 /nfs/dbraw/zinc/06/50/55/1067065055.db2.gz GSWMWMKQDZJEPL-DNQXCXABSA-N 1 2 451.954 4.637 20 0 JJADLO CCCCOc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)c(Cl)c1 ZINC001458452954 1067066602 /nfs/dbraw/zinc/06/66/02/1067066602.db2.gz KMWAQDOILDFIIZ-YADHBBJMSA-N 1 2 451.394 4.974 20 0 JJADLO CCCCOc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)c(Cl)c1 ZINC001458452954 1067066612 /nfs/dbraw/zinc/06/66/12/1067066612.db2.gz KMWAQDOILDFIIZ-YADHBBJMSA-N 1 2 451.394 4.974 20 0 JJADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)CCc2cccc(OC3CCCC3)c2)c2ccc(Cl)cc2)C1 ZINC001458456549 1067068098 /nfs/dbraw/zinc/06/80/98/1067068098.db2.gz SUITUMXINLRMPO-AZGAKELHSA-N 1 2 457.014 4.782 20 0 JJADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)CCc2cccc(OC3CCCC3)c2)c2ccc(Cl)cc2)C1 ZINC001458456549 1067068113 /nfs/dbraw/zinc/06/81/13/1067068113.db2.gz SUITUMXINLRMPO-AZGAKELHSA-N 1 2 457.014 4.782 20 0 JJADLO CC(C)C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)CCCNC(=O)OC(C)(C)C ZINC001450289108 1067069624 /nfs/dbraw/zinc/06/96/24/1067069624.db2.gz CFVPCBLAPAVSRY-OAQYLSRUSA-N 1 2 452.039 4.704 20 0 JJADLO CC(C)C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)CCCNC(=O)OC(C)(C)C ZINC001450289108 1067069635 /nfs/dbraw/zinc/06/96/35/1067069635.db2.gz CFVPCBLAPAVSRY-OAQYLSRUSA-N 1 2 452.039 4.704 20 0 JJADLO CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCCN2C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC001450415061 1067078390 /nfs/dbraw/zinc/07/83/90/1067078390.db2.gz QYIUQHPPIXVKDJ-FKBYEOEOSA-N 1 2 452.599 4.570 20 0 JJADLO C[C@@H](c1nnc(SCC[C@@H]2Sc3ccccc3NC2=O)n1-c1ccc(F)cc1)[NH+](C)C ZINC001458733805 1067124716 /nfs/dbraw/zinc/12/47/16/1067124716.db2.gz LDXXQGZZVQOAIC-LIRRHRJNSA-N 1 2 457.600 4.624 20 0 JJADLO C[C@@H](c1nnc(SCC[C@H]2Sc3ccccc3NC2=O)n1-c1ccc(F)cc1)[NH+](C)C ZINC001458733781 1067124863 /nfs/dbraw/zinc/12/48/63/1067124863.db2.gz LDXXQGZZVQOAIC-IFXJQAMLSA-N 1 2 457.600 4.624 20 0 JJADLO Cc1cc(Br)cn2cc(CCNC(=O)c3cc4cccc(Cl)c4nc3C)[nH+]c12 ZINC001458806609 1067150524 /nfs/dbraw/zinc/15/05/24/1067150524.db2.gz BQCPIDNGEOQKIL-UHFFFAOYSA-N 1 2 457.759 4.888 20 0 JJADLO Cc1cc(Br)cn2cc(CCNC(=O)CO[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)[nH+]c12 ZINC001458817041 1067153810 /nfs/dbraw/zinc/15/38/10/1067153810.db2.gz UIIYNFNAKMTCPA-RYGJVYDSSA-N 1 2 450.421 4.541 20 0 JJADLO Cc1cc(C)c(CNC(=O)c2sccc2NC(=O)Cc2ccc(Br)cc2)c[nH+]1 ZINC001451438623 1067172003 /nfs/dbraw/zinc/17/20/03/1067172003.db2.gz HLDRGPSXOBXHJN-UHFFFAOYSA-N 1 2 458.381 4.634 20 0 JJADLO CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2cc(F)ccc2F)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001545826670 1067175796 /nfs/dbraw/zinc/17/57/96/1067175796.db2.gz ROCRNHDGAUIIIU-QZTJIDSGSA-N 1 2 499.610 4.755 20 0 JJADLO CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2ccccc2C)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001545826831 1067176296 /nfs/dbraw/zinc/17/62/96/1067176296.db2.gz UOGOFTLGAGEJKV-SFTDATJTSA-N 1 2 477.657 4.785 20 0 JJADLO CCSc1ccccc1CSc1nnc(-c2ccc(F)cc2)n1CC[NH+]1CCOCC1 ZINC001458860775 1067176733 /nfs/dbraw/zinc/17/67/33/1067176733.db2.gz NIYPHEPCPIIZLM-UHFFFAOYSA-N 1 2 458.628 4.821 20 0 JJADLO CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2ccc(F)cc2)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001545826851 1067176853 /nfs/dbraw/zinc/17/68/53/1067176853.db2.gz VEWDMLNQGNBTOG-QUCCMNQESA-N 1 2 481.620 4.616 20 0 JJADLO CCCCCNC(=O)C1CC[NH+](CC(=O)Nc2cc3oc4ccccc4c3cc2OC)CC1 ZINC001459307820 1067289712 /nfs/dbraw/zinc/28/97/12/1067289712.db2.gz PTHRHDRFFDIYRK-UHFFFAOYSA-N 1 2 451.567 4.552 20 0 JJADLO COC(=O)[C@H](c1ccc(Cl)cc1)N1CC[NH+]([C@@H](C)c2cccc(Br)c2)CC1 ZINC001459307193 1067289758 /nfs/dbraw/zinc/28/97/58/1067289758.db2.gz RCKCPDVFOOHSLX-YWZLYKJASA-N 1 2 451.792 4.695 20 0 JJADLO CC(=O)N(c1nc(C[N@@H+]2CCC[C@H](C3OCCO3)C2)cs1)c1ccc(Cl)c(Cl)c1 ZINC001459317384 1067292700 /nfs/dbraw/zinc/29/27/00/1067292700.db2.gz JEMSERQKSDDEQN-AWEZNQCLSA-N 1 2 456.395 4.719 20 0 JJADLO CC(=O)N(c1nc(C[N@H+]2CCC[C@H](C3OCCO3)C2)cs1)c1ccc(Cl)c(Cl)c1 ZINC001459317384 1067292710 /nfs/dbraw/zinc/29/27/10/1067292710.db2.gz JEMSERQKSDDEQN-AWEZNQCLSA-N 1 2 456.395 4.719 20 0 JJADLO Cc1cccc(C[N@@H+](C)Cc2nc3c(Br)cc(Br)cc3c(=O)[nH]2)c1 ZINC001459328040 1067295801 /nfs/dbraw/zinc/29/58/01/1067295801.db2.gz DBKFIGONIKKNKN-UHFFFAOYSA-N 1 2 451.162 4.801 20 0 JJADLO Cc1cccc(C[N@H+](C)Cc2nc3c(Br)cc(Br)cc3c(=O)[nH]2)c1 ZINC001459328040 1067295810 /nfs/dbraw/zinc/29/58/10/1067295810.db2.gz DBKFIGONIKKNKN-UHFFFAOYSA-N 1 2 451.162 4.801 20 0 JJADLO CC(C)CCNC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC001459338267 1067298519 /nfs/dbraw/zinc/29/85/19/1067298519.db2.gz OODHFBZIEXGIRH-OAQYLSRUSA-N 1 2 454.442 4.531 20 0 JJADLO CC(C)CCNC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC001459338267 1067298529 /nfs/dbraw/zinc/29/85/29/1067298529.db2.gz OODHFBZIEXGIRH-OAQYLSRUSA-N 1 2 454.442 4.531 20 0 JJADLO COCC[N@H+](CC(=O)N(C)[C@]1(c2ccccc2Cl)CCCCC1=O)[C@@H](C)c1ccccc1 ZINC001459380603 1067308817 /nfs/dbraw/zinc/30/88/17/1067308817.db2.gz UIKCYGWLJTZJAH-FNZWTVRRSA-N 1 2 457.014 4.846 20 0 JJADLO COCC[N@@H+](CC(=O)N(C)[C@]1(c2ccccc2Cl)CCCCC1=O)[C@@H](C)c1ccccc1 ZINC001459380603 1067308831 /nfs/dbraw/zinc/30/88/31/1067308831.db2.gz UIKCYGWLJTZJAH-FNZWTVRRSA-N 1 2 457.014 4.846 20 0 JJADLO CCC1(CC)CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001546108453 1067309148 /nfs/dbraw/zinc/30/91/48/1067309148.db2.gz BQLPFOKFCFTOEL-WIYYLYMNSA-N 1 2 461.601 4.770 20 0 JJADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2ccnc(-c3ccc(Cl)cc3)n2)[C@H](C)C1 ZINC001459412335 1067316440 /nfs/dbraw/zinc/31/64/40/1067316440.db2.gz LDIRVLDQCCMLIZ-GOSISDBHSA-N 1 2 450.970 4.542 20 0 JJADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2ccnc(-c3ccc(Cl)cc3)n2)[C@H](C)C1 ZINC001459412335 1067316449 /nfs/dbraw/zinc/31/64/49/1067316449.db2.gz LDIRVLDQCCMLIZ-GOSISDBHSA-N 1 2 450.970 4.542 20 0 JJADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cc3cc(OC)ccc3nc2Cl)[C@@H](C)C1 ZINC001459412217 1067316760 /nfs/dbraw/zinc/31/67/60/1067316760.db2.gz JSGFXALLOJRYRW-KRWDZBQOSA-N 1 2 453.970 4.642 20 0 JJADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cc3cc(OC)ccc3nc2Cl)[C@@H](C)C1 ZINC001459412217 1067316774 /nfs/dbraw/zinc/31/67/74/1067316774.db2.gz JSGFXALLOJRYRW-KRWDZBQOSA-N 1 2 453.970 4.642 20 0 JJADLO CC[C@]1(C)CC[C@H](Cn2c(CC(C)(C)C)nnc2N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)O1 ZINC001546053425 1067318648 /nfs/dbraw/zinc/31/86/48/1067318648.db2.gz AKWNTUURMLWKLE-YZIHRLCOSA-N 1 2 489.730 4.786 20 0 JJADLO CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC001459455924 1067328007 /nfs/dbraw/zinc/32/80/07/1067328007.db2.gz TVQHBGMXFLVIRJ-SFHVURJKSA-N 1 2 456.612 4.568 20 0 JJADLO COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@@H+]3CCN(Cc4ccccc4)C(C)(C)C3)ccc2c1 ZINC001459460802 1067329292 /nfs/dbraw/zinc/32/92/92/1067329292.db2.gz XVZYZQYWHFTDEG-QFIPXVFZSA-N 1 2 459.634 4.792 20 0 JJADLO COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+]3CCN(Cc4ccccc4)C(C)(C)C3)ccc2c1 ZINC001459460802 1067329304 /nfs/dbraw/zinc/32/93/04/1067329304.db2.gz XVZYZQYWHFTDEG-QFIPXVFZSA-N 1 2 459.634 4.792 20 0 JJADLO CCN(CC1CC[NH+](Cc2nc(COc3cc(C)cc(C)c3)no2)CC1)C(=O)OC(C)(C)C ZINC001459554050 1067349708 /nfs/dbraw/zinc/34/97/08/1067349708.db2.gz ABSPLYOVTMOARC-UHFFFAOYSA-N 1 2 458.603 4.734 20 0 JJADLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH+]1CCC(c2ccc(OC)cc2)CC1 ZINC001459557150 1067350405 /nfs/dbraw/zinc/35/04/05/1067350405.db2.gz FUVHBZQZNUBXKG-UHFFFAOYSA-N 1 2 451.350 4.607 20 0 JJADLO CCOC(=O)c1c(C[N@H+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(C)C)occ1C(F)(F)F ZINC001459562107 1067351990 /nfs/dbraw/zinc/35/19/90/1067351990.db2.gz BZRBEIPKBYZLHW-OAHLLOKOSA-N 1 2 450.498 4.846 20 0 JJADLO CCOC(=O)c1c(C[N@@H+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(C)C)occ1C(F)(F)F ZINC001459562107 1067351996 /nfs/dbraw/zinc/35/19/96/1067351996.db2.gz BZRBEIPKBYZLHW-OAHLLOKOSA-N 1 2 450.498 4.846 20 0 JJADLO Cc1ccc(N2CC[N@H+](CC(=O)Nc3cc(C(C)(C)C)nn3-c3ccccc3)[C@@H](C)C2)cc1C ZINC001459612017 1067363849 /nfs/dbraw/zinc/36/38/49/1067363849.db2.gz VEDPZEQPIVHEID-QFIPXVFZSA-N 1 2 459.638 4.936 20 0 JJADLO Cc1ccc(N2CC[N@@H+](CC(=O)Nc3cc(C(C)(C)C)nn3-c3ccccc3)[C@@H](C)C2)cc1C ZINC001459612017 1067363866 /nfs/dbraw/zinc/36/38/66/1067363866.db2.gz VEDPZEQPIVHEID-QFIPXVFZSA-N 1 2 459.638 4.936 20 0 JJADLO O=C(Nc1ccc(Br)cc1)C1CC[NH+](Cc2nnc(-c3ccccc3)s2)CC1 ZINC001459757532 1067409819 /nfs/dbraw/zinc/40/98/19/1067409819.db2.gz VQNOLTCQSZNFKZ-UHFFFAOYSA-N 1 2 457.397 4.818 20 0 JJADLO CC1CCN(Cc2csc(NC(=O)C[NH2+][C@H](CC(F)(F)F)c3ccc(F)cc3)n2)CC1 ZINC001459844264 1067450517 /nfs/dbraw/zinc/45/05/17/1067450517.db2.gz OBWOLMCAEBSOHN-GOSISDBHSA-N 1 2 458.525 4.736 20 0 JJADLO CC1CCN(Cc2csc(NC(=O)C[NH2+][C@@H](CC(F)(F)F)c3ccc(F)cc3)n2)CC1 ZINC001459844266 1067450607 /nfs/dbraw/zinc/45/06/07/1067450607.db2.gz OBWOLMCAEBSOHN-SFHVURJKSA-N 1 2 458.525 4.736 20 0 JJADLO Nc1nc(C[NH2+][C@H](Cc2cccc(F)c2)c2cccc(F)c2)nc(Nc2ccc(F)cc2)n1 ZINC001459875866 1067469382 /nfs/dbraw/zinc/46/93/82/1067469382.db2.gz IYOANRRBCJKDJZ-OAQYLSRUSA-N 1 2 450.468 4.688 20 0 JJADLO O=C(C[NH+]1CCC(=Cc2ccc(F)c(F)c2)CC1)NCCOc1ccc(C(F)(F)F)cc1 ZINC001459987906 1067516641 /nfs/dbraw/zinc/51/66/41/1067516641.db2.gz AAFJGHMOLFVVSZ-UHFFFAOYSA-N 1 2 454.439 4.658 20 0 JJADLO OCC1(Cc2ccccc2)CC[NH+](Cc2ccc(I)c(Cl)c2)CC1 ZINC001460031219 1067534394 /nfs/dbraw/zinc/53/43/94/1067534394.db2.gz YMUAGDCTVAIANN-UHFFFAOYSA-N 1 2 455.767 4.762 20 0 JJADLO Cc1ccccc1Cc1noc(C[N@H+](CCCNC(=O)OC(C)(C)C)Cc2ccccc2)n1 ZINC001460046916 1067538916 /nfs/dbraw/zinc/53/89/16/1067538916.db2.gz AMYAFLYNSFZRRZ-UHFFFAOYSA-N 1 2 450.583 4.886 20 0 JJADLO Cc1ccccc1Cc1noc(C[N@@H+](CCCNC(=O)OC(C)(C)C)Cc2ccccc2)n1 ZINC001460046916 1067538926 /nfs/dbraw/zinc/53/89/26/1067538926.db2.gz AMYAFLYNSFZRRZ-UHFFFAOYSA-N 1 2 450.583 4.886 20 0 JJADLO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC001460059112 1067541917 /nfs/dbraw/zinc/54/19/17/1067541917.db2.gz IVEHJJGEDQYSMY-CQSZACIVSA-N 1 2 456.892 4.678 20 0 JJADLO CCOc1ccc2nc(NC(=O)C[N@H+](C)Cc3ccc(OCC(F)(F)F)cc3)sc2c1 ZINC001460075894 1067547646 /nfs/dbraw/zinc/54/76/46/1067547646.db2.gz BEHZQFKBFLACJJ-UHFFFAOYSA-N 1 2 453.486 4.707 20 0 JJADLO CCOc1ccc2nc(NC(=O)C[N@@H+](C)Cc3ccc(OCC(F)(F)F)cc3)sc2c1 ZINC001460075894 1067547651 /nfs/dbraw/zinc/54/76/51/1067547651.db2.gz BEHZQFKBFLACJJ-UHFFFAOYSA-N 1 2 453.486 4.707 20 0 JJADLO OC[C@@]1([N@H+](Cc2coc(-c3ccc(F)c(C(F)(F)F)c3)n2)Cc2ccccc2)CCOC1 ZINC001460088759 1067551152 /nfs/dbraw/zinc/55/11/52/1067551152.db2.gz IQWFDCUMIRXWHU-QFIPXVFZSA-N 1 2 450.432 4.653 20 0 JJADLO OC[C@@]1([N@@H+](Cc2coc(-c3ccc(F)c(C(F)(F)F)c3)n2)Cc2ccccc2)CCOC1 ZINC001460088759 1067551163 /nfs/dbraw/zinc/55/11/63/1067551163.db2.gz IQWFDCUMIRXWHU-QFIPXVFZSA-N 1 2 450.432 4.653 20 0 JJADLO CCc1ccc(N2CC[NH+]([C@@H](C)C(=O)Nc3cccc(Br)c3)CC2)cc1Cl ZINC001460090058 1067551847 /nfs/dbraw/zinc/55/18/47/1067551847.db2.gz OEUAGMVXBWBAGT-HNNXBMFYSA-N 1 2 450.808 4.814 20 0 JJADLO COc1cc(-c2noc(C[NH2+]C(C)(C)c3cccc(C(F)(F)F)c3)n2)cc(OC)c1OC ZINC001460117368 1067558686 /nfs/dbraw/zinc/55/86/86/1067558686.db2.gz FRAMMOTWYZEPFG-UHFFFAOYSA-N 1 2 451.445 4.806 20 0 JJADLO Cc1cc(NC(=O)C[NH+]2CCC(F)(Cc3ccc(Cl)cc3)CC2)n(-c2ccc(F)cc2)n1 ZINC001460125120 1067559989 /nfs/dbraw/zinc/55/99/89/1067559989.db2.gz JNOLPHNLAYGOFZ-UHFFFAOYSA-N 1 2 458.940 4.959 20 0 JJADLO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCN(c2ccc(Cl)c(F)c2)C[C@H]1C ZINC001460193481 1067575982 /nfs/dbraw/zinc/57/59/82/1067575982.db2.gz IWYQKFVAXFMKNL-ZIAGYGMSSA-N 1 2 454.771 4.779 20 0 JJADLO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CCN(c2ccc(Cl)c(F)c2)C[C@H]1C ZINC001460193481 1067575990 /nfs/dbraw/zinc/57/59/90/1067575990.db2.gz IWYQKFVAXFMKNL-ZIAGYGMSSA-N 1 2 454.771 4.779 20 0 JJADLO Cn1c(C[N@H+]2C[C@@H](c3cccc(F)c3)[C@H](NC(=O)OC(C)(C)C)C2)nc2cc(Cl)ccc21 ZINC001460236135 1067586896 /nfs/dbraw/zinc/58/68/96/1067586896.db2.gz VBKNISMIWRMCRV-AZUAARDMSA-N 1 2 458.965 4.859 20 0 JJADLO Cn1c(C[N@@H+]2C[C@@H](c3cccc(F)c3)[C@H](NC(=O)OC(C)(C)C)C2)nc2cc(Cl)ccc21 ZINC001460236135 1067586902 /nfs/dbraw/zinc/58/69/02/1067586902.db2.gz VBKNISMIWRMCRV-AZUAARDMSA-N 1 2 458.965 4.859 20 0 JJADLO C[N@@H+](CC(=O)Nc1ccccc1Oc1ccccc1)C[C@H](O)c1ccccc1Br ZINC001460248120 1067590767 /nfs/dbraw/zinc/59/07/67/1067590767.db2.gz PAJJMBJJTHNLMG-NRFANRHFSA-N 1 2 455.352 4.845 20 0 JJADLO C[N@H+](CC(=O)Nc1ccccc1Oc1ccccc1)C[C@H](O)c1ccccc1Br ZINC001460248120 1067590773 /nfs/dbraw/zinc/59/07/73/1067590773.db2.gz PAJJMBJJTHNLMG-NRFANRHFSA-N 1 2 455.352 4.845 20 0 JJADLO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H](c1ccccc1)[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC001460250208 1067591108 /nfs/dbraw/zinc/59/11/08/1067591108.db2.gz JKIMTYBFSZIGIY-SNYIIPAISA-N 1 2 478.614 4.974 20 0 JJADLO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H](c1ccccc1)[N@@H+]1C[C@H](O)C[C@H](C)C1 ZINC001460250208 1067591115 /nfs/dbraw/zinc/59/11/15/1067591115.db2.gz JKIMTYBFSZIGIY-SNYIIPAISA-N 1 2 478.614 4.974 20 0 JJADLO Cc1cc(C)c(-c2csc(NC(=O)C[N@H+]3CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C3)n2)cc1C ZINC001460293188 1067600570 /nfs/dbraw/zinc/60/05/70/1067600570.db2.gz FGMMZWHGQZVRHN-MGPUTAFESA-N 1 2 457.640 4.974 20 0 JJADLO Cc1cc(C)c(-c2csc(NC(=O)C[N@@H+]3CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C3)n2)cc1C ZINC001460293188 1067600574 /nfs/dbraw/zinc/60/05/74/1067600574.db2.gz FGMMZWHGQZVRHN-MGPUTAFESA-N 1 2 457.640 4.974 20 0 JJADLO C[C@@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC001460341917 1067612457 /nfs/dbraw/zinc/61/24/57/1067612457.db2.gz SPOFCIINWCVWIN-WNSKOXEYSA-N 1 2 459.974 4.913 20 0 JJADLO C[C@@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC001460341917 1067612461 /nfs/dbraw/zinc/61/24/61/1067612461.db2.gz SPOFCIINWCVWIN-WNSKOXEYSA-N 1 2 459.974 4.913 20 0 JJADLO C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCN(c2ccc(Br)cc2)CC1 ZINC001460358030 1067617413 /nfs/dbraw/zinc/61/74/13/1067617413.db2.gz WOULIODJHWQSTG-AWEZNQCLSA-N 1 2 456.306 4.617 20 0 JJADLO C[C@H]1[C@H](c2ccc(Br)cc2)OCC[N@@H+]1Cc1cccc(C(=O)NCc2ccco2)c1 ZINC001460365299 1067619096 /nfs/dbraw/zinc/61/90/96/1067619096.db2.gz VJFCNKFJVDTXON-GAJHUEQPSA-N 1 2 469.379 4.934 20 0 JJADLO C[C@H]1[C@H](c2ccc(Br)cc2)OCC[N@H+]1Cc1cccc(C(=O)NCc2ccco2)c1 ZINC001460365299 1067619100 /nfs/dbraw/zinc/61/91/00/1067619100.db2.gz VJFCNKFJVDTXON-GAJHUEQPSA-N 1 2 469.379 4.934 20 0 JJADLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH+]2CCC([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)c1C ZINC001460404821 1067628139 /nfs/dbraw/zinc/62/81/39/1067628139.db2.gz DAZVZJRWSDMOKH-WIYYLYMNSA-N 1 2 459.631 4.764 20 0 JJADLO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC001460417098 1067631376 /nfs/dbraw/zinc/63/13/76/1067631376.db2.gz MHRMCXGJLFXWBN-XFJVYGCCSA-N 1 2 464.629 4.803 20 0 JJADLO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC001460417098 1067631382 /nfs/dbraw/zinc/63/13/82/1067631382.db2.gz MHRMCXGJLFXWBN-XFJVYGCCSA-N 1 2 464.629 4.803 20 0 JJADLO C[C@]12CC[N@H+](Cc3cc4c(c(Br)c3)OCO4)C[C@H]1C2(Br)Br ZINC001460419679 1067631893 /nfs/dbraw/zinc/63/18/93/1067631893.db2.gz VABUTDQHCHHAIT-OCCSQVGLSA-N 1 2 482.010 4.506 20 0 JJADLO C[C@]12CC[N@@H+](Cc3cc4c(c(Br)c3)OCO4)C[C@H]1C2(Br)Br ZINC001460419679 1067631896 /nfs/dbraw/zinc/63/18/96/1067631896.db2.gz VABUTDQHCHHAIT-OCCSQVGLSA-N 1 2 482.010 4.506 20 0 JJADLO COc1ccc2c(c1)CC[N@@H+](CC(=O)N(C)[C@H](C)c1cccc(NC(=O)c3ccccc3)c1)C2 ZINC001460447493 1067636665 /nfs/dbraw/zinc/63/66/65/1067636665.db2.gz ZQQQECQNZGNYGF-HXUWFJFHSA-N 1 2 457.574 4.525 20 0 JJADLO COc1ccc2c(c1)CC[N@H+](CC(=O)N(C)[C@H](C)c1cccc(NC(=O)c3ccccc3)c1)C2 ZINC001460447493 1067636667 /nfs/dbraw/zinc/63/66/67/1067636667.db2.gz ZQQQECQNZGNYGF-HXUWFJFHSA-N 1 2 457.574 4.525 20 0 JJADLO CC(C)(C)OC(=O)N1CCC(CC[N@@H+]2CCOC[C@@H]2c2cccc(Br)c2)CC1 ZINC001460460302 1067638171 /nfs/dbraw/zinc/63/81/71/1067638171.db2.gz ZOEVOEJSIIFYDE-HXUWFJFHSA-N 1 2 453.421 4.860 20 0 JJADLO CC(C)(C)OC(=O)N1CCC(CC[N@H+]2CCOC[C@@H]2c2cccc(Br)c2)CC1 ZINC001460460302 1067638174 /nfs/dbraw/zinc/63/81/74/1067638174.db2.gz ZOEVOEJSIIFYDE-HXUWFJFHSA-N 1 2 453.421 4.860 20 0 JJADLO COc1ccc([C@@H]2CCCCCN2C(=O)C[NH2+][C@H](CO)c2cccc(Cl)c2Cl)cc1 ZINC001460472976 1067640498 /nfs/dbraw/zinc/64/04/98/1067640498.db2.gz RBTYJWZSIKGANP-RTWAWAEBSA-N 1 2 451.394 4.769 20 0 JJADLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+]1Cc2cnn(-c3ccccc3F)c2CC(C)(C)C1 ZINC001460530791 1067651804 /nfs/dbraw/zinc/65/18/04/1067651804.db2.gz HOGCHEQVDIOEMW-SFHVURJKSA-N 1 2 450.558 4.740 20 0 JJADLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+]1Cc2cnn(-c3ccccc3F)c2CC(C)(C)C1 ZINC001460530791 1067651807 /nfs/dbraw/zinc/65/18/07/1067651807.db2.gz HOGCHEQVDIOEMW-SFHVURJKSA-N 1 2 450.558 4.740 20 0 JJADLO Cc1cc(Br)ccc1[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1C(=O)NC(C)C ZINC001460601016 1067667037 /nfs/dbraw/zinc/66/70/37/1067667037.db2.gz AEJZGYJKBROPSB-NRFANRHFSA-N 1 2 458.400 4.671 20 0 JJADLO Cc1cc(Br)ccc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1C(=O)NC(C)C ZINC001460601016 1067667043 /nfs/dbraw/zinc/66/70/43/1067667043.db2.gz AEJZGYJKBROPSB-NRFANRHFSA-N 1 2 458.400 4.671 20 0 JJADLO CCOC(=O)C1C(C[NH2+][C@](C)(CC)c2ccc(F)cc2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001460600655 1067667082 /nfs/dbraw/zinc/66/70/82/1067667082.db2.gz FUWYTBJGFLCVKY-ZJSXRUAMSA-N 1 2 459.949 4.565 20 0 JJADLO CCc1ccc([C@H](NC(=O)C[N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)c2cccs2)cc1 ZINC001460612234 1067671923 /nfs/dbraw/zinc/67/19/23/1067671923.db2.gz PVHONBCXWGBVSV-NYDSKATKSA-N 1 2 457.640 4.504 20 0 JJADLO CCc1ccc([C@H](NC(=O)C[N@H+]2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)c2cccs2)cc1 ZINC001460612234 1067671929 /nfs/dbraw/zinc/67/19/29/1067671929.db2.gz PVHONBCXWGBVSV-NYDSKATKSA-N 1 2 457.640 4.504 20 0 JJADLO C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@H+](C)Cc1ccccc1OCc1ccccc1 ZINC001460619279 1067674672 /nfs/dbraw/zinc/67/46/72/1067674672.db2.gz CHYVUMCAXYIIDW-JOCHJYFZSA-N 1 2 459.590 4.561 20 0 JJADLO C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@@H+](C)Cc1ccccc1OCc1ccccc1 ZINC001460619279 1067674679 /nfs/dbraw/zinc/67/46/79/1067674679.db2.gz CHYVUMCAXYIIDW-JOCHJYFZSA-N 1 2 459.590 4.561 20 0 JJADLO CCC1(C(=O)Nc2ccccc2OCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CCCCC1 ZINC001460708473 1067705860 /nfs/dbraw/zinc/70/58/60/1067705860.db2.gz KSYQAHUVKDCZBZ-UHFFFAOYSA-N 1 2 459.631 4.917 20 0 JJADLO CC1=CC[C@](C)(C(=O)Nc2ccccc2OCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001460710688 1067706318 /nfs/dbraw/zinc/70/63/18/1067706318.db2.gz VWMSTBUBJLJHHZ-SANMLTNESA-N 1 2 457.615 4.693 20 0 JJADLO C[C@H]1C[N@H+](Cc2cc(Cl)cc(Br)c2)C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)O1 ZINC001460729396 1067711176 /nfs/dbraw/zinc/71/11/76/1067711176.db2.gz WWPDHNNUAODBKS-VBKZILBWSA-N 1 2 459.812 4.703 20 0 JJADLO C[C@H]1C[N@@H+](Cc2cc(Cl)cc(Br)c2)C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)O1 ZINC001460729396 1067711182 /nfs/dbraw/zinc/71/11/82/1067711182.db2.gz WWPDHNNUAODBKS-VBKZILBWSA-N 1 2 459.812 4.703 20 0 JJADLO CC(C)OCc1noc(C[N@@H+]2CCC[C@H](C[C@@H](NC(=O)OC(C)(C)C)C3CCCC3)C2)n1 ZINC001460746969 1067715152 /nfs/dbraw/zinc/71/51/52/1067715152.db2.gz KTFDJXYLZSWACR-UYAOXDASSA-N 1 2 450.624 4.680 20 0 JJADLO CC(C)OCc1noc(C[N@H+]2CCC[C@H](C[C@@H](NC(=O)OC(C)(C)C)C3CCCC3)C2)n1 ZINC001460746969 1067715158 /nfs/dbraw/zinc/71/51/58/1067715158.db2.gz KTFDJXYLZSWACR-UYAOXDASSA-N 1 2 450.624 4.680 20 0 JJADLO O=C1[C@H]([NH+]2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)CCN1c1ccc(F)c(Cl)c1 ZINC001460760147 1067718609 /nfs/dbraw/zinc/71/86/09/1067718609.db2.gz VWOOXLJAHPIPMM-GOSISDBHSA-N 1 2 457.855 4.542 20 0 JJADLO CCOC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC[C@@]1(C)Cc1cccc(Br)c1 ZINC001460804659 1067727441 /nfs/dbraw/zinc/72/74/41/1067727441.db2.gz TVFQGYCORPPTQP-QHCPKHFHSA-N 1 2 459.384 4.662 20 0 JJADLO CCOC(=O)c1ccccc1NC(=O)C[N@H+]1CCC[C@@]1(C)Cc1cccc(Br)c1 ZINC001460804659 1067727450 /nfs/dbraw/zinc/72/74/50/1067727450.db2.gz TVFQGYCORPPTQP-QHCPKHFHSA-N 1 2 459.384 4.662 20 0 JJADLO Cc1c(Br)cccc1C[N@H+]1C[C@H](C)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001460839518 1067732453 /nfs/dbraw/zinc/73/24/53/1067732453.db2.gz YDRPNMPQLGBTLK-INIZCTEOSA-N 1 2 453.421 4.748 20 0 JJADLO Cc1c(Br)cccc1C[N@@H+]1C[C@H](C)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001460839518 1067732457 /nfs/dbraw/zinc/73/24/57/1067732457.db2.gz YDRPNMPQLGBTLK-INIZCTEOSA-N 1 2 453.421 4.748 20 0 JJADLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3noc(-c4cccc(Cl)c4Cl)n3)C[C@@H]2C1 ZINC001460884977 1067742217 /nfs/dbraw/zinc/74/22/17/1067742217.db2.gz GZPRLPTZRZIOOE-ZIAGYGMSSA-N 1 2 453.370 4.732 20 0 JJADLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3noc(-c4cccc(Cl)c4Cl)n3)C[C@@H]2C1 ZINC001460884977 1067742225 /nfs/dbraw/zinc/74/22/25/1067742225.db2.gz GZPRLPTZRZIOOE-ZIAGYGMSSA-N 1 2 453.370 4.732 20 0 JJADLO Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001460886057 1067742771 /nfs/dbraw/zinc/74/27/71/1067742771.db2.gz CEIKWBGRVFRBLG-SFHVURJKSA-N 1 2 451.567 4.794 20 0 JJADLO Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001460886057 1067742779 /nfs/dbraw/zinc/74/27/79/1067742779.db2.gz CEIKWBGRVFRBLG-SFHVURJKSA-N 1 2 451.567 4.794 20 0 JJADLO C[C@@H]1C[N@H+](CC(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)[C@H](C)CCO1 ZINC001460962134 1067753754 /nfs/dbraw/zinc/75/37/54/1067753754.db2.gz VQAABZZZRIIGDI-RTBURBONSA-N 1 2 453.583 4.982 20 0 JJADLO C[C@@H]1C[N@@H+](CC(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)[C@H](C)CCO1 ZINC001460962134 1067753761 /nfs/dbraw/zinc/75/37/61/1067753761.db2.gz VQAABZZZRIIGDI-RTBURBONSA-N 1 2 453.583 4.982 20 0 JJADLO COC(=O)[C@@H](c1ccccc1Cl)[NH+]1CCC2(CCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC001460975276 1067755102 /nfs/dbraw/zinc/75/51/02/1067755102.db2.gz FYPAKMYCBAVVIM-FXAWDEMLSA-N 1 2 451.007 4.961 20 0 JJADLO COc1cc([C@@H](C)[NH2+]Cc2ncc(I)s2)ccc1OC1CCCC1 ZINC001461056397 1067771707 /nfs/dbraw/zinc/77/17/07/1067771707.db2.gz AKUKDIZXLGLBLS-GFCCVEGCSA-N 1 2 458.365 4.929 20 0 JJADLO CC[C@@H](Oc1ccccc1C)C(=O)N(CCCn1cc[nH+]c1)c1ccc(Br)cn1 ZINC001461086878 1067779044 /nfs/dbraw/zinc/77/90/44/1067779044.db2.gz NXXAKTTWPFAZFS-LJQANCHMSA-N 1 2 457.372 4.630 20 0 JJADLO C[C@H]1[C@H](c2cccc(F)c2)OCCN1C(=O)[C@@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001461121123 1067785317 /nfs/dbraw/zinc/78/53/17/1067785317.db2.gz SIEDNZWJLSSHBG-KNXBSLHKSA-N 1 2 461.375 4.714 20 0 JJADLO Cc1ccc([C@@H]([NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)c2ccc(F)cc2Cl)cc1 ZINC001461179983 1067794024 /nfs/dbraw/zinc/79/40/24/1067794024.db2.gz IWKJZXRHIQZNJG-OAQYLSRUSA-N 1 2 453.366 4.968 20 0 JJADLO CC(C)(C)OC(=O)N1CCN(c2ccc(NCc3ccccc3CC(F)(F)F)[nH+]c2)CC1 ZINC001461309112 1067825047 /nfs/dbraw/zinc/82/50/47/1067825047.db2.gz PWZNBHQQIGPANK-UHFFFAOYSA-N 1 2 450.505 4.856 20 0 JJADLO Fc1ccc(C[NH2+]Cc2c(F)ccc(I)c2F)c(Br)c1 ZINC001461447295 1067858457 /nfs/dbraw/zinc/85/84/57/1067858457.db2.gz BARRBLHDFOAZOF-UHFFFAOYSA-N 1 2 456.043 4.761 20 0 JJADLO C[C@@H]1CN(c2ccc(NCc3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)c[nH+]2)C[C@@H](C)O1 ZINC001461458887 1067861898 /nfs/dbraw/zinc/86/18/98/1067861898.db2.gz FUHXIPJRULJHEF-RTBURBONSA-N 1 2 452.599 4.601 20 0 JJADLO OCC[C@@H]([NH2+]Cc1cccc(F)c1I)c1cc(Cl)cc(Cl)c1 ZINC001461665715 1067913874 /nfs/dbraw/zinc/91/38/74/1067913874.db2.gz BRXQKXOQPUBAEV-OAHLLOKOSA-N 1 2 454.110 4.950 20 0 JJADLO Cc1cc(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)nn1-c1cccc(C(F)(F)F)c1 ZINC001461774383 1067934958 /nfs/dbraw/zinc/93/49/58/1067934958.db2.gz BQYRXBQVNNAAPF-HXUWFJFHSA-N 1 2 453.468 4.647 20 0 JJADLO COc1cc(Cl)c(C[N@@H+]2CCC[C@H](CNS(=O)(=O)c3ccc(C)cc3)C2)cc1Cl ZINC001461852025 1067947113 /nfs/dbraw/zinc/94/71/13/1067947113.db2.gz KOSREROXDKVUTG-MRXNPFEDSA-N 1 2 457.423 4.501 20 0 JJADLO COc1cc(Cl)c(C[N@H+]2CCC[C@H](CNS(=O)(=O)c3ccc(C)cc3)C2)cc1Cl ZINC001461852025 1067947120 /nfs/dbraw/zinc/94/71/20/1067947120.db2.gz KOSREROXDKVUTG-MRXNPFEDSA-N 1 2 457.423 4.501 20 0 JJADLO COc1cc(Cl)c(C[N@@H+]2CCC[C@@H](CNS(=O)(=O)c3ccc(C)cc3)C2)cc1Cl ZINC001461852021 1067947131 /nfs/dbraw/zinc/94/71/31/1067947131.db2.gz KOSREROXDKVUTG-INIZCTEOSA-N 1 2 457.423 4.501 20 0 JJADLO COc1cc(Cl)c(C[N@H+]2CCC[C@@H](CNS(=O)(=O)c3ccc(C)cc3)C2)cc1Cl ZINC001461852021 1067947136 /nfs/dbraw/zinc/94/71/36/1067947136.db2.gz KOSREROXDKVUTG-INIZCTEOSA-N 1 2 457.423 4.501 20 0 JJADLO C[C@H]1CN(c2ccccc2C[N@H+](C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CCO1 ZINC001461867484 1067950520 /nfs/dbraw/zinc/95/05/20/1067950520.db2.gz IRAMPURGFZUBNF-HNNXBMFYSA-N 1 2 455.908 4.654 20 0 JJADLO C[C@H]1CN(c2ccccc2C[N@@H+](C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CCO1 ZINC001461867484 1067950525 /nfs/dbraw/zinc/95/05/25/1067950525.db2.gz IRAMPURGFZUBNF-HNNXBMFYSA-N 1 2 455.908 4.654 20 0 JJADLO O=C(NC1CC[NH+](Cc2cc(Br)ccc2Br)CC1)c1ccccc1 ZINC001461869393 1067950984 /nfs/dbraw/zinc/95/09/84/1067950984.db2.gz IZRFBAOCOJUDPV-UHFFFAOYSA-N 1 2 452.190 4.606 20 0 JJADLO Cc1nn(-c2ccccc2Br)cc1C[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC001461897589 1067957153 /nfs/dbraw/zinc/95/71/53/1067957153.db2.gz LTVDEADULNAAPE-JXMROGBWSA-N 1 2 451.412 4.774 20 0 JJADLO CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(Cc2cc(OC)c(OC)cc2F)CC1 ZINC001461902032 1067958094 /nfs/dbraw/zinc/95/80/94/1067958094.db2.gz LVNJIUAAQRUWFQ-HXUWFJFHSA-N 1 2 451.380 4.874 20 0 JJADLO Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC001461915031 1067960776 /nfs/dbraw/zinc/96/07/76/1067960776.db2.gz GRQWJBSHSUQLES-UHFFFAOYSA-N 1 2 452.951 4.625 20 0 JJADLO Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC001461915031 1067960783 /nfs/dbraw/zinc/96/07/83/1067960783.db2.gz GRQWJBSHSUQLES-UHFFFAOYSA-N 1 2 452.951 4.625 20 0 JJADLO C/C(=C\c1ccccc1OC(F)F)C[NH+]1CCN(C(=O)[C@H](C)Oc2ccc(C)cc2C)CC1 ZINC001461932833 1067963713 /nfs/dbraw/zinc/96/37/13/1067963713.db2.gz FCLNMHAADKSYGS-HCUHUEOSSA-N 1 2 458.549 4.920 20 0 JJADLO Cc1cc(Oc2cc(Cl)ccc2CN2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)ccc1F ZINC001461966196 1067970839 /nfs/dbraw/zinc/97/08/39/1067970839.db2.gz PPWKAWHGKUYJEO-LJQANCHMSA-N 1 2 459.993 4.708 20 0 JJADLO C[N@H+](Cc1ccccc1Br)Cc1ccc(Br)cc1N1CCOCC1 ZINC001462027930 1067984447 /nfs/dbraw/zinc/98/44/47/1067984447.db2.gz JSOYPGIPHAHEQR-UHFFFAOYSA-N 1 2 454.206 4.680 20 0 JJADLO C[N@@H+](Cc1ccccc1Br)Cc1ccc(Br)cc1N1CCOCC1 ZINC001462027930 1067984455 /nfs/dbraw/zinc/98/44/55/1067984455.db2.gz JSOYPGIPHAHEQR-UHFFFAOYSA-N 1 2 454.206 4.680 20 0 JJADLO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1cnc(-c2ccccc2F)s1 ZINC001462036119 1067985445 /nfs/dbraw/zinc/98/54/45/1067985445.db2.gz AJGWYRUEJHVEKU-FQEVSTJZSA-N 1 2 456.539 4.629 20 0 JJADLO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1cnc(-c2ccccc2F)s1 ZINC001462036119 1067985452 /nfs/dbraw/zinc/98/54/52/1067985452.db2.gz AJGWYRUEJHVEKU-FQEVSTJZSA-N 1 2 456.539 4.629 20 0 JJADLO COc1ccc(C[NH+]2CCN(Cc3cc4c(cc(F)cc4Br)[nH]3)CC2)cc1F ZINC001462034793 1067985724 /nfs/dbraw/zinc/98/57/24/1067985724.db2.gz QZOYEYHKKSVGGP-UHFFFAOYSA-N 1 2 450.327 4.535 20 0 JJADLO CC(C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001462039801 1067986730 /nfs/dbraw/zinc/98/67/30/1067986730.db2.gz SVZMOACGFRUTBN-MRXNPFEDSA-N 1 2 456.530 4.562 20 0 JJADLO CC(C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001462039801 1067986737 /nfs/dbraw/zinc/98/67/37/1067986737.db2.gz SVZMOACGFRUTBN-MRXNPFEDSA-N 1 2 456.530 4.562 20 0 JJADLO Cn1cc(CC[NH2+]Cc2cc(Br)c(O)c(Br)c2)c2ccc(F)cc21 ZINC001462129152 1068011602 /nfs/dbraw/zinc/01/16/02/1068011602.db2.gz RDQXLOZFOPCMPA-UHFFFAOYSA-N 1 2 456.153 4.880 20 0 JJADLO OCC1([C@@H]([NH2+]Cc2cc(Br)c(O)c(Br)c2)c2ccccc2)CCC1 ZINC001462275524 1068042589 /nfs/dbraw/zinc/04/25/89/1068042589.db2.gz UYQVPQKPVGNNEJ-SFHVURJKSA-N 1 2 455.190 4.911 20 0 JJADLO CC(C)Sc1cc(Br)ccc1C[N@@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC001462291418 1068044903 /nfs/dbraw/zinc/04/49/03/1068044903.db2.gz CVHFVDHLWJGSTO-CYBMUJFWSA-N 1 2 453.368 4.840 20 0 JJADLO CC(C)Sc1cc(Br)ccc1C[N@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC001462291418 1068044917 /nfs/dbraw/zinc/04/49/17/1068044917.db2.gz CVHFVDHLWJGSTO-CYBMUJFWSA-N 1 2 453.368 4.840 20 0 JJADLO CC(C)Sc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC001462291428 1068044995 /nfs/dbraw/zinc/04/49/95/1068044995.db2.gz CVHFVDHLWJGSTO-ZDUSSCGKSA-N 1 2 453.368 4.840 20 0 JJADLO CC(C)Sc1cc(Br)ccc1C[N@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC001462291428 1068045017 /nfs/dbraw/zinc/04/50/17/1068045017.db2.gz CVHFVDHLWJGSTO-ZDUSSCGKSA-N 1 2 453.368 4.840 20 0 JJADLO Cc1cc(Br)c(C[N@@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)cc1Br ZINC001462337492 1068054178 /nfs/dbraw/zinc/05/41/78/1068054178.db2.gz MJGOJMHPCNTECE-SUMWQHHRSA-N 1 2 474.237 4.961 20 0 JJADLO Cc1cc(Br)c(C[N@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)cc1Br ZINC001462337492 1068054185 /nfs/dbraw/zinc/05/41/85/1068054185.db2.gz MJGOJMHPCNTECE-SUMWQHHRSA-N 1 2 474.237 4.961 20 0 JJADLO CCCn1cncc1C[NH+]1CCC(c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)CC1 ZINC001462341373 1068054748 /nfs/dbraw/zinc/05/47/48/1068054748.db2.gz JQJIVBRDAWTUCI-UHFFFAOYSA-N 1 2 456.635 4.510 20 0 JJADLO Brc1cncc(Br)c1C[N@@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC001462584637 1068104429 /nfs/dbraw/zinc/10/44/29/1068104429.db2.gz HARUZYHAECKKOY-LLVKDONJSA-N 1 2 457.235 4.931 20 0 JJADLO Brc1cncc(Br)c1C[N@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC001462584637 1068104434 /nfs/dbraw/zinc/10/44/34/1068104434.db2.gz HARUZYHAECKKOY-LLVKDONJSA-N 1 2 457.235 4.931 20 0 JJADLO CCc1c(C(=O)NCCN(Cc2ccccc2)c2cccc[nH+]2)cnn1-c1cccc(Cl)c1 ZINC001462637757 1068120855 /nfs/dbraw/zinc/12/08/55/1068120855.db2.gz MCFYITABHKCJLH-UHFFFAOYSA-N 1 2 459.981 4.920 20 0 JJADLO O=C(CCc1cc(F)ccc1Br)NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC001462638480 1068120956 /nfs/dbraw/zinc/12/09/56/1068120956.db2.gz PWCVVAKPYONEPI-UHFFFAOYSA-N 1 2 456.359 4.739 20 0 JJADLO CCCCCOc1ccc(S(=O)(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC001462774057 1068163630 /nfs/dbraw/zinc/16/36/30/1068163630.db2.gz AHTIVDFKYKMYTF-UHFFFAOYSA-N 1 2 451.032 4.806 20 0 JJADLO CCCCCOc1ccc(S(=O)(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC001462774057 1068163636 /nfs/dbraw/zinc/16/36/36/1068163636.db2.gz AHTIVDFKYKMYTF-UHFFFAOYSA-N 1 2 451.032 4.806 20 0 JJADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)S(=O)(=O)c1cc(C)c(Cl)s1 ZINC001463014301 1068251513 /nfs/dbraw/zinc/25/15/13/1068251513.db2.gz AQMLBFNQYZGABV-UHFFFAOYSA-N 1 2 454.017 4.586 20 0 JJADLO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1 ZINC001463343012 1068363896 /nfs/dbraw/zinc/36/38/96/1068363896.db2.gz PAFZRAKJQNLEDP-QZTJIDSGSA-N 1 2 457.665 4.877 20 0 JJADLO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1 ZINC001463343012 1068363913 /nfs/dbraw/zinc/36/39/13/1068363913.db2.gz PAFZRAKJQNLEDP-QZTJIDSGSA-N 1 2 457.665 4.877 20 0 JJADLO CCCOc1ccc(S(=O)(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)cc1 ZINC001463386057 1068380277 /nfs/dbraw/zinc/38/02/77/1068380277.db2.gz CKAXGMRARWVNAD-UHFFFAOYSA-N 1 2 457.423 4.725 20 0 JJADLO COC(=O)c1ccc(C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4Cl)s3)CC2)cc1 ZINC001463735802 1068508058 /nfs/dbraw/zinc/50/80/58/1068508058.db2.gz HXLRRRPOUORPIS-UHFFFAOYSA-N 1 2 454.979 4.813 20 0 JJADLO CCOc1ccc(-c2nc(NC(=O)[C@@H](c3ccccc3)[NH+]3CCC(O)CC3)sc2C)cc1 ZINC001463752142 1068513151 /nfs/dbraw/zinc/51/31/51/1068513151.db2.gz UZMUYRVIVAMPCI-HSZRJFAPSA-N 1 2 451.592 4.654 20 0 JJADLO Cc1cc(N2CCN(C(=O)[C@@H](C)Oc3ccccc3Cc3ccccc3)CC2)nc(C(C)C)[nH+]1 ZINC001463775010 1068521259 /nfs/dbraw/zinc/52/12/59/1068521259.db2.gz ZMOZMUPMBDQZBA-JOCHJYFZSA-N 1 2 458.606 4.615 20 0 JJADLO O=C(c1cc(OCc2ccccc2)ccn1)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001463806883 1068531902 /nfs/dbraw/zinc/53/19/02/1068531902.db2.gz GXKVUPOGKLUKHH-UHFFFAOYSA-N 1 2 455.480 4.637 20 0 JJADLO O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1cnc(OCC2CC2)c(Cl)c1 ZINC001464127068 1068625485 /nfs/dbraw/zinc/62/54/85/1068625485.db2.gz GDXLRZGRTHFNGG-LJQANCHMSA-N 1 2 452.357 4.883 20 0 JJADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)CN(C(=O)OC(C)(C)C)c2ccccc2)C[C@H](C)O1 ZINC001464268506 1068682560 /nfs/dbraw/zinc/68/25/60/1068682560.db2.gz IMLDPZNDCCRJML-BGYRXZFFSA-N 1 2 453.583 4.676 20 0 JJADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)CN(C(=O)OC(C)(C)C)c2ccccc2)C[C@H](C)O1 ZINC001464268506 1068682571 /nfs/dbraw/zinc/68/25/71/1068682571.db2.gz IMLDPZNDCCRJML-BGYRXZFFSA-N 1 2 453.583 4.676 20 0 JJADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3CCOc4ccc(Br)cc43)n2)C1 ZINC001464378266 1068724632 /nfs/dbraw/zinc/72/46/32/1068724632.db2.gz IOCPQDCDQDSITN-XJKSGUPXSA-N 1 2 450.402 4.642 20 0 JJADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3CCOc4ccc(Br)cc43)n2)C1 ZINC001464378266 1068724636 /nfs/dbraw/zinc/72/46/36/1068724636.db2.gz IOCPQDCDQDSITN-XJKSGUPXSA-N 1 2 450.402 4.642 20 0 JJADLO CCOc1ccc([C@]2(C(=O)Nc3nc(C[NH+]4CCCCC4)cs3)CC2(Cl)Cl)cc1 ZINC001464388393 1068727745 /nfs/dbraw/zinc/72/77/45/1068727745.db2.gz YJZBVDNZVZXYTC-FQEVSTJZSA-N 1 2 454.423 4.982 20 0 JJADLO O=C(NCC[N@@H+]1CCc2sccc2C1)c1csc(Cc2cccc(C(F)(F)F)c2)n1 ZINC001464467486 1068757200 /nfs/dbraw/zinc/75/72/00/1068757200.db2.gz QWDDQUJXVUVVKS-UHFFFAOYSA-N 1 2 451.539 4.602 20 0 JJADLO O=C(NCC[N@H+]1CCc2sccc2C1)c1csc(Cc2cccc(C(F)(F)F)c2)n1 ZINC001464467486 1068757210 /nfs/dbraw/zinc/75/72/10/1068757210.db2.gz QWDDQUJXVUVVKS-UHFFFAOYSA-N 1 2 451.539 4.602 20 0 JJADLO COc1cc2c(cc1OC)C[N@H+](Cc1ccccc1NC(=O)c1cc(Cl)ccc1O)CC2 ZINC001464539935 1068776296 /nfs/dbraw/zinc/77/62/96/1068776296.db2.gz DBUGJXONXZHSME-UHFFFAOYSA-N 1 2 452.938 4.873 20 0 JJADLO COc1cc2c(cc1OC)C[N@@H+](Cc1ccccc1NC(=O)c1cc(Cl)ccc1O)CC2 ZINC001464539935 1068776303 /nfs/dbraw/zinc/77/63/03/1068776303.db2.gz DBUGJXONXZHSME-UHFFFAOYSA-N 1 2 452.938 4.873 20 0 JJADLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H](C)Cc3cccc(Br)c3)c2C1 ZINC001464602372 1068796483 /nfs/dbraw/zinc/79/64/83/1068796483.db2.gz LDKAPRAECCJCCG-INIZCTEOSA-N 1 2 452.396 4.736 20 0 JJADLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H](C)Cc3cccc(Br)c3)c2C1 ZINC001464602372 1068796496 /nfs/dbraw/zinc/79/64/96/1068796496.db2.gz LDKAPRAECCJCCG-INIZCTEOSA-N 1 2 452.396 4.736 20 0 JJADLO COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)NCc2[nH+]cc(C)c(OC)c2C)c1 ZINC001464614665 1068799834 /nfs/dbraw/zinc/79/98/34/1068799834.db2.gz YBSFVBPOYNBSIP-UHFFFAOYSA-N 1 2 456.546 4.807 20 0 JJADLO CSc1cnc(Cl)c(C(F)(F)N2CCO[C@@H](c3[nH+]cn4c3cccc4Br)C2)c1 ZINC001164416595 718890359 /nfs/dbraw/zinc/89/03/59/718890359.db2.gz DMDYFELZHUGZCK-CQSZACIVSA-N 1 2 489.773 4.990 20 0 JJADLO FC(F)(c1cccc2c(Cl)ncnc21)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164421812 718890926 /nfs/dbraw/zinc/89/09/26/718890926.db2.gz YJKUUEWCNMKHMW-OAHLLOKOSA-N 1 2 494.727 4.816 20 0 JJADLO CCOC(=O)[C@@]12C[C@@H]1CCN2c1nc(C[NH+]2CCCCC2)nc2scc(-c3cccs3)c21 ZINC001164627406 719042015 /nfs/dbraw/zinc/04/20/15/719042015.db2.gz UMHFGUJLWLYZMG-UPCLLVRISA-N 1 2 468.648 4.938 20 0 JJADLO CCOC(=O)c1c(C)nc(Cl)cc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@H+]2CC ZINC001164663795 719348383 /nfs/dbraw/zinc/34/83/83/719348383.db2.gz LVEXNHHEBOXRRI-UHFFFAOYSA-N 1 2 494.039 4.915 20 0 JJADLO CCOC(=O)c1c(C)nc(Cl)cc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@@H+]2CC ZINC001164663795 719348384 /nfs/dbraw/zinc/34/83/84/719348384.db2.gz LVEXNHHEBOXRRI-UHFFFAOYSA-N 1 2 494.039 4.915 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3[nH]c4ccccc4c31)CC2 ZINC001164659530 719351286 /nfs/dbraw/zinc/35/12/86/719351286.db2.gz QQNRHJAGLULTPF-UHFFFAOYSA-N 1 2 463.589 4.806 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3[nH]c4ccccc4c31)CC2 ZINC001164659530 719351289 /nfs/dbraw/zinc/35/12/89/719351289.db2.gz QQNRHJAGLULTPF-UHFFFAOYSA-N 1 2 463.589 4.806 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc([C@@H](CC(=O)OC)C3CC3)ccn1)CC2 ZINC001164660720 719353490 /nfs/dbraw/zinc/35/34/90/719353490.db2.gz XUCNRCXBIZTZRO-VWLOTQADSA-N 1 2 499.659 4.833 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc([C@@H](CC(=O)OC)C3CC3)ccn1)CC2 ZINC001164660720 719353495 /nfs/dbraw/zinc/35/34/95/719353495.db2.gz XUCNRCXBIZTZRO-VWLOTQADSA-N 1 2 499.659 4.833 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C)nc(-c3ccccn3)n1)CC2 ZINC001164659001 719353647 /nfs/dbraw/zinc/35/36/47/719353647.db2.gz PKYBFMFQSOLBPY-UHFFFAOYSA-N 1 2 465.605 4.542 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C)nc(-c3ccccn3)n1)CC2 ZINC001164659001 719353651 /nfs/dbraw/zinc/35/36/51/719353651.db2.gz PKYBFMFQSOLBPY-UHFFFAOYSA-N 1 2 465.605 4.542 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(-c3ccc(F)cc3)ncn1)CC2 ZINC001164660709 719353777 /nfs/dbraw/zinc/35/37/77/719353777.db2.gz XRQSULNVTZVKIQ-UHFFFAOYSA-N 1 2 468.580 4.977 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(-c3ccc(F)cc3)ncn1)CC2 ZINC001164660709 719353780 /nfs/dbraw/zinc/35/37/80/719353780.db2.gz XRQSULNVTZVKIQ-UHFFFAOYSA-N 1 2 468.580 4.977 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(-c3ccc(OC)cc3)nn1)CC2 ZINC001164660563 719353837 /nfs/dbraw/zinc/35/38/37/719353837.db2.gz VGZFBGLJMYSGAJ-UHFFFAOYSA-N 1 2 480.616 4.847 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(-c3ccc(OC)cc3)nn1)CC2 ZINC001164660563 719353840 /nfs/dbraw/zinc/35/38/40/719353840.db2.gz VGZFBGLJMYSGAJ-UHFFFAOYSA-N 1 2 480.616 4.847 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(C(=O)N3CCC[C@@H](C)C3)cn1)CC2 ZINC001164658598 719354048 /nfs/dbraw/zinc/35/40/48/719354048.db2.gz KGUNLTXRKMFAFZ-HSZRJFAPSA-N 1 2 498.675 4.648 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(C(=O)N3CCC[C@@H](C)C3)cn1)CC2 ZINC001164658598 719354052 /nfs/dbraw/zinc/35/40/52/719354052.db2.gz KGUNLTXRKMFAFZ-HSZRJFAPSA-N 1 2 498.675 4.648 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cncc(N3CCCCCC3)n1)CC2 ZINC001164658601 719354325 /nfs/dbraw/zinc/35/43/25/719354325.db2.gz KJHDFVMFZJLREE-UHFFFAOYSA-N 1 2 471.653 4.552 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cncc(N3CCCCCC3)n1)CC2 ZINC001164658601 719354328 /nfs/dbraw/zinc/35/43/28/719354328.db2.gz KJHDFVMFZJLREE-UHFFFAOYSA-N 1 2 471.653 4.552 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc(Cl)c1C(C)C)CC2 ZINC001164663906 719355430 /nfs/dbraw/zinc/35/54/30/719355430.db2.gz IPZQTEIISHJSDK-UHFFFAOYSA-N 1 2 451.018 4.948 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc(Cl)c1C(C)C)CC2 ZINC001164663906 719355432 /nfs/dbraw/zinc/35/54/32/719355432.db2.gz IPZQTEIISHJSDK-UHFFFAOYSA-N 1 2 451.018 4.948 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)cc(-c3ccncc3)n1)CC2 ZINC001164664885 719356265 /nfs/dbraw/zinc/35/62/65/719356265.db2.gz RLYZPODVDKBHLO-UHFFFAOYSA-N 1 2 486.023 4.887 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)cc(-c3ccncc3)n1)CC2 ZINC001164664885 719356268 /nfs/dbraw/zinc/35/62/68/719356268.db2.gz RLYZPODVDKBHLO-UHFFFAOYSA-N 1 2 486.023 4.887 20 0 JJADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)c(C(=O)OC)cc1Cl)CC2 ZINC001164663507 719356337 /nfs/dbraw/zinc/35/63/37/719356337.db2.gz GUHSEAFKDXBDNT-UHFFFAOYSA-N 1 2 480.012 4.525 20 0 JJADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)c(C(=O)OC)cc1Cl)CC2 ZINC001164663507 719356341 /nfs/dbraw/zinc/35/63/41/719356341.db2.gz GUHSEAFKDXBDNT-UHFFFAOYSA-N 1 2 480.012 4.525 20 0 JJADLO FC(F)(c1ccc2nc(Cl)cc(Cl)c2c1)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001164677161 719564856 /nfs/dbraw/zinc/56/48/56/719564856.db2.gz KMAMEQIPSNTNTF-UHFFFAOYSA-N 1 2 450.276 4.882 20 0 JJADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN(C(F)(F)c3ccc(Cl)c(Cl)n3)CC2)cc1 ZINC001164696368 719829972 /nfs/dbraw/zinc/82/99/72/719829972.db2.gz ISLWIEWYBBNKLI-UHFFFAOYSA-N 1 2 492.357 4.838 20 0 JJADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN(C(F)(F)c3c[nH]c4nc(Cl)ccc34)CC2)cc1 ZINC001164696346 719830060 /nfs/dbraw/zinc/83/00/60/719830060.db2.gz IMGCGONPEYKCRK-UHFFFAOYSA-N 1 2 496.949 4.666 20 0 JJADLO Cc1ccc(-c2cc(C(F)(F)N3Cc4c[nH+]cn4C[C@@H](COc4cccnc4)C3)c(Cl)nn2)cc1 ZINC001164767073 721276538 /nfs/dbraw/zinc/27/65/38/721276538.db2.gz FJYZBQKVQKFNNV-GOSISDBHSA-N 1 2 496.949 4.957 20 0 JJADLO FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164770724 721276574 /nfs/dbraw/zinc/27/65/74/721276574.db2.gz XVLXQUMHYQZOJG-QGZVFWFLSA-N 1 2 482.922 4.649 20 0 JJADLO O=C(CC1CCC2(CC1)CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)CC2)N1CC=CC1 ZINC001164775945 721328421 /nfs/dbraw/zinc/32/84/21/721328421.db2.gz AWYKDPTVSWAXOI-UHFFFAOYSA-N 1 2 485.676 4.600 20 0 JJADLO O=C(CC1CCC2(CC1)CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)CC2)N1CC=CC1 ZINC001164775945 721328429 /nfs/dbraw/zinc/32/84/29/721328429.db2.gz AWYKDPTVSWAXOI-UHFFFAOYSA-N 1 2 485.676 4.600 20 0 JJADLO Fc1cccc(-c2cc(C(F)(F)N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)c(Cl)nn2)c1 ZINC001164781958 721438920 /nfs/dbraw/zinc/43/89/20/721438920.db2.gz HSLNOMDISGBXSG-GJZGRUSLSA-N 1 2 465.932 4.506 20 0 JJADLO Cc1cncc(COC[C@]23CCC[C@@H]2CN(c2ncnc4c2C[N@H+](Cc2ccccc2)CC4)C3)c1 ZINC001164798408 721600670 /nfs/dbraw/zinc/60/06/70/721600670.db2.gz FJZUKFIIWQILLH-VAVYLYDRSA-N 1 2 469.633 4.562 20 0 JJADLO Cc1cncc(COC[C@]23CCC[C@@H]2CN(c2ncnc4c2C[N@@H+](Cc2ccccc2)CC4)C3)c1 ZINC001164798408 721600672 /nfs/dbraw/zinc/60/06/72/721600672.db2.gz FJZUKFIIWQILLH-VAVYLYDRSA-N 1 2 469.633 4.562 20 0 JJADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)nc3sc(-c4ccccc4)cc31)C2 ZINC001165008039 721710519 /nfs/dbraw/zinc/71/05/19/721710519.db2.gz AKDWTZRRJDCFJI-UHFFFAOYSA-N 1 2 468.030 4.854 20 0 JJADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)nc3sc(-c4ccccc4)cc31)C2 ZINC001165008039 721710520 /nfs/dbraw/zinc/71/05/20/721710520.db2.gz AKDWTZRRJDCFJI-UHFFFAOYSA-N 1 2 468.030 4.854 20 0 JJADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(C)nc3scc(-c4cccs4)c32)CC1 ZINC001164919071 721819596 /nfs/dbraw/zinc/81/95/96/721819596.db2.gz ZNOAIFNWAPWYNZ-UHFFFAOYSA-N 1 2 450.637 4.674 20 0 JJADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2cc(-c3ccccc3)nc(-c3cccs3)n2)CC1 ZINC001164918683 721820376 /nfs/dbraw/zinc/82/03/76/721820376.db2.gz GSHNHHFDCWOYCX-UHFFFAOYSA-N 1 2 456.619 4.818 20 0 JJADLO