smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]1C[C@@H](C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)CC(C)(C)C1 ZINC000824864951 609165825 /nfs/dbraw/zinc/16/58/25/609165825.db2.gz GIYYZFOYWRLDCL-GXSJLCMTSA-N 0 2 363.853 2.821 20 50 FFGDLN Cc1ccc(C[C@@H](C)C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)cc1 ZINC000826286979 947832812 /nfs/dbraw/zinc/83/28/12/947832812.db2.gz XZUAARKBQZMEJY-LLVKDONJSA-N 0 2 371.832 2.545 20 50 FFGDLN O=C(NNc1cccc(-c2nn[nH]n2)c1)c1c(O)cc(Cl)cc1Cl ZINC000826447950 607463667 /nfs/dbraw/zinc/46/36/67/607463667.db2.gz BWQGWMGBJMZQJS-UHFFFAOYSA-N 0 2 365.180 2.636 20 50 FFGDLN O=C([O-])N[C@@H](CC(F)F)C(=O)NNc1cc[nH+]c2cc(Cl)ccc12 ZINC000834134279 605309319 /nfs/dbraw/zinc/30/93/19/605309319.db2.gz GVRLWILOVLTHOI-NSHDSACASA-N 0 2 358.732 2.623 20 50 FFGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1cc2ccccc2s1 ZINC000826445603 608580152 /nfs/dbraw/zinc/58/01/52/608580152.db2.gz AWJBCSJDTOFMSU-UHFFFAOYSA-N 0 2 371.813 2.887 20 50 FFGDLN O=C(CC=Cc1cccc(F)c1)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826404604 608628096 /nfs/dbraw/zinc/62/80/96/608628096.db2.gz GIPODAATEITYKS-DUXPYHPUSA-N 0 2 373.779 2.601 20 50 FFGDLN CC(=NNC(=O)c1ccc(O)c(Cl)c1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000823948212 609159108 /nfs/dbraw/zinc/15/91/08/609159108.db2.gz HPHCWFUCRRYYND-UHFFFAOYSA-N 0 2 374.763 2.519 20 50 FFGDLN CCCCC[C@@H](CC)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000825267931 947138693 /nfs/dbraw/zinc/13/86/93/947138693.db2.gz NQLRVBZEHDUZBM-SNVBAGLBSA-N 0 2 351.842 2.965 20 50 FFGDLN O=C([O-])c1cc(OC(=O)c2cccc(Cn3cc[nH+]c3)c2)ccc1[N+](=O)[O-] ZINC000740306522 978674423 /nfs/dbraw/zinc/67/44/23/978674423.db2.gz BOCFUEIVVUNAIY-UHFFFAOYSA-N 0 2 367.317 2.757 20 50 FFGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000826445520 608577803 /nfs/dbraw/zinc/57/78/03/608577803.db2.gz XTFYECZCVKPVJU-NEPJUHHUSA-N 0 2 361.837 2.575 20 50 FFGDLN C[NH+](C)[C@H](C(=O)NNc1ccc(CC(=O)[O-])cc1)c1cccc(Cl)c1 ZINC001598163130 990667351 /nfs/dbraw/zinc/66/73/51/990667351.db2.gz PDGZWCQWGZEXAI-KRWDZBQOSA-N 0 2 361.829 2.713 20 50 FFGDLN Cc1cc(NNC(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)nc(C)[nH+]1 ZINC000832898198 602142784 /nfs/dbraw/zinc/14/27/84/602142784.db2.gz GSEMEWGPLYFKHP-UHFFFAOYSA-N 0 2 369.303 2.959 20 50 FFGDLN COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)NNc1cc(C)[nH+]c(C)n1 ZINC000829187749 603639251 /nfs/dbraw/zinc/63/92/51/603639251.db2.gz LMQBYSFKUOCKLY-UHFFFAOYSA-N 0 2 365.777 2.602 20 50 FFGDLN C[NH+](C)[C@@H](C(=O)NNc1ccc(CC(=O)[O-])cc1)c1cccc(Cl)c1 ZINC001598163131 990667578 /nfs/dbraw/zinc/66/75/78/990667578.db2.gz PDGZWCQWGZEXAI-QGZVFWFLSA-N 0 2 361.829 2.713 20 50 FFGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1cc2cc(F)ccc2o1 ZINC000826445635 608580288 /nfs/dbraw/zinc/58/02/88/608580288.db2.gz CLFDJJGMVVDDPO-UHFFFAOYSA-N 0 2 373.735 2.557 20 50 FFGDLN C[C@H]1C[C@H](C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)CC(C)(C)C1 ZINC000824864959 609165726 /nfs/dbraw/zinc/16/57/26/609165726.db2.gz GIYYZFOYWRLDCL-ONGXEEELSA-N 0 2 363.853 2.821 20 50 FFGDLN CC(=Cc1ccc(C)cc1)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000823943130 946525326 /nfs/dbraw/zinc/52/53/26/946525326.db2.gz OHPAIPGVLYVCLX-YRNVUSSQSA-N 0 2 369.816 2.770 20 50 FFGDLN Cc1ccccc1[C@@H](C)CC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826306243 608579951 /nfs/dbraw/zinc/57/99/51/608579951.db2.gz UFYBNMBTERQJGH-NSHDSACASA-N 0 2 371.832 2.860 20 50 FFGDLN C[C@@H]1C[C@@H](C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)CC(C)(C)C1 ZINC000824864957 609165926 /nfs/dbraw/zinc/16/59/26/609165926.db2.gz GIYYZFOYWRLDCL-MWLCHTKSSA-N 0 2 363.853 2.821 20 50 FFGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1cc2cccc(F)c2o1 ZINC000826445591 608573787 /nfs/dbraw/zinc/57/37/87/608573787.db2.gz AHLDZNCJLHXNLY-UHFFFAOYSA-N 0 2 373.735 2.557 20 50 FFGDLN CC(C)c1ccsc1C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000824352549 608576940 /nfs/dbraw/zinc/57/69/40/608576940.db2.gz IDDGDTWYEOGCCC-UHFFFAOYSA-N 0 2 363.834 2.857 20 50 FFGDLN Cc1cc(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)ccc1Cl ZINC000826259781 947749946 /nfs/dbraw/zinc/74/99/46/947749946.db2.gz GBHIFVINTPXAJY-UHFFFAOYSA-N 0 2 364.196 2.634 20 50 FFGDLN Cc1cc(C)cc(CCC(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)c1 ZINC000826264337 608630693 /nfs/dbraw/zinc/63/06/93/608630693.db2.gz KQLOOFSUCXPRSB-UHFFFAOYSA-N 0 2 371.832 2.608 20 50 FFGDLN CC(=CC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccc(F)cc1 ZINC000823942570 608572697 /nfs/dbraw/zinc/57/26/97/608572697.db2.gz GRXVGSHPOLQEAJ-RMKNXTFCSA-N 0 2 373.779 2.601 20 50 FFGDLN CC(C)=C[C@@H]1[C@H](C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)C1(C)C ZINC000824177722 608579429 /nfs/dbraw/zinc/57/94/29/608579429.db2.gz JJTQEWVDKMNPBV-ZWNOBZJWSA-N 0 2 361.837 2.597 20 50 FFGDLN C[C@@H](CCC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccccc1 ZINC000824402951 608578074 /nfs/dbraw/zinc/57/80/74/608578074.db2.gz ZEVJJEMMDQDWEV-NSHDSACASA-N 0 2 371.832 2.942 20 50 FFGDLN C[C@H](CCC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccccc1 ZINC000824402950 608578089 /nfs/dbraw/zinc/57/80/89/608578089.db2.gz ZEVJJEMMDQDWEV-LLVKDONJSA-N 0 2 371.832 2.942 20 50 FFGDLN CCc1ccc(CCC(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)cc1 ZINC000825713013 608576981 /nfs/dbraw/zinc/57/69/81/608576981.db2.gz ZUYUUOXWWRMESS-UHFFFAOYSA-N 0 2 371.832 2.553 20 50 FFGDLN Cc1ccccc1[C@H](C)CC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826306242 608579888 /nfs/dbraw/zinc/57/98/88/608579888.db2.gz UFYBNMBTERQJGH-LLVKDONJSA-N 0 2 371.832 2.860 20 50 FFGDLN C[C@@H]1C[C@H](C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)CC(C)(C)C1 ZINC000824864954 609165868 /nfs/dbraw/zinc/16/58/68/609165868.db2.gz GIYYZFOYWRLDCL-KOLCDFICSA-N 0 2 363.853 2.821 20 50 FFGDLN CC(=CC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1cccc(F)c1 ZINC000823942511 608577065 /nfs/dbraw/zinc/57/70/65/608577065.db2.gz DTSHULSNIFSCKB-WEVVVXLNSA-N 0 2 373.779 2.601 20 50 FFGDLN Cc1ccc(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)cc1Cl ZINC000826281937 608577213 /nfs/dbraw/zinc/57/72/13/608577213.db2.gz QCHYSYTYXWEMES-UHFFFAOYSA-N 0 2 364.196 2.634 20 50 FFGDLN CC(C)[C@@H](C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccccc1 ZINC000824184398 608575408 /nfs/dbraw/zinc/57/54/08/608575408.db2.gz GRJKMWYEDUDEAQ-OAHLLOKOSA-N 0 2 371.832 2.798 20 50 FFGDLN CC[C@H](CC1CCCC1)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000825115159 608575502 /nfs/dbraw/zinc/57/55/02/608575502.db2.gz UXDOJGQDMBPVOY-LLVKDONJSA-N 0 2 363.853 2.965 20 50 FFGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccc2c(c1)CCCC2 ZINC000826445769 608579013 /nfs/dbraw/zinc/57/90/13/608579013.db2.gz JCBDETXYQPSJJQ-UHFFFAOYSA-N 0 2 369.816 2.551 20 50 FFGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1csc2ccccc12 ZINC000826445806 608577805 /nfs/dbraw/zinc/57/78/05/608577805.db2.gz LHMHPCLMYZCXCZ-UHFFFAOYSA-N 0 2 371.813 2.887 20 50 FFGDLN C[C@H](CC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccccc1 ZINC000824385167 608579377 /nfs/dbraw/zinc/57/93/77/608579377.db2.gz NJOCUGVSHNEYOK-SNVBAGLBSA-N 0 2 357.805 2.552 20 50 FFGDLN Cc1ccc(CCC(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)c(C)c1 ZINC000826287591 947834362 /nfs/dbraw/zinc/83/43/62/947834362.db2.gz VDJIXXJZPMAMCW-UHFFFAOYSA-N 0 2 371.832 2.608 20 50 FFGDLN O=C([O-])CC[C@@H]1C[C@H](C(=O)NNc2cc[nH+]c3cc(Cl)ccc23)CO1 ZINC001595005277 951190837 /nfs/dbraw/zinc/19/08/37/951190837.db2.gz MWDNTKMLKNVTMZ-CMPLNLGQSA-N 0 2 363.801 2.601 20 50 FFGDLN CCCCCC(C)(C)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000825266351 608574279 /nfs/dbraw/zinc/57/42/79/608574279.db2.gz FGCIPSGTIYGYJB-UHFFFAOYSA-N 0 2 351.842 2.965 20 50 FFGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000826445523 608577829 /nfs/dbraw/zinc/57/78/29/608577829.db2.gz XTFYECZCVKPVJU-VXGBXAGGSA-N 0 2 361.837 2.575 20 50 FFGDLN CC(C)(CC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccccc1 ZINC000824152617 608578082 /nfs/dbraw/zinc/57/80/82/608578082.db2.gz KZMMWFGBFMNJCG-UHFFFAOYSA-N 0 2 371.832 2.726 20 50 FFGDLN CC(C)=C[C@H]1[C@@H](C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)C1(C)C ZINC000824177719 608579417 /nfs/dbraw/zinc/57/94/17/608579417.db2.gz JJTQEWVDKMNPBV-GWCFXTLKSA-N 0 2 361.837 2.597 20 50 FFGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)[C@H](c1ccccc1)C1CC1 ZINC000826445535 608581971 /nfs/dbraw/zinc/58/19/71/608581971.db2.gz YDQZGOBQNGCYLZ-OAHLLOKOSA-N 0 2 369.816 2.552 20 50 FFGDLN Cc1cc(C)c(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)c(C)c1 ZINC000826263346 608625394 /nfs/dbraw/zinc/62/53/94/608625394.db2.gz WPHROHOWTOACTP-UHFFFAOYSA-N 0 2 357.805 2.597 20 50 FFGDLN CC(=Cc1ccc(F)cc1)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000823943000 608626169 /nfs/dbraw/zinc/62/61/69/608626169.db2.gz MKKAMUURPFFXPO-TWGQIWQCSA-N 0 2 373.779 2.601 20 50 FFGDLN O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1c(O)cc(Cl)cc1Cl ZINC000826446194 607465171 /nfs/dbraw/zinc/46/51/71/607465171.db2.gz CRHMBHSLMCPNPV-UHFFFAOYSA-N 0 2 365.180 2.636 20 50 FFGDLN CC(C)=C[C@@H]1[C@@H](C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)C1(C)C ZINC000824177721 608579528 /nfs/dbraw/zinc/57/95/28/608579528.db2.gz JJTQEWVDKMNPBV-MFKMUULPSA-N 0 2 361.837 2.597 20 50 FFGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000826445521 608577812 /nfs/dbraw/zinc/57/78/12/608577812.db2.gz XTFYECZCVKPVJU-NWDGAFQWSA-N 0 2 361.837 2.575 20 50 FFGDLN CC(C)(Cc1ccccc1)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000824163143 608627272 /nfs/dbraw/zinc/62/72/72/608627272.db2.gz ZHFKJRSHSLNYHL-UHFFFAOYSA-N 0 2 371.832 2.627 20 50 FFGDLN C=C[C@H](CC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccccc1 ZINC000823883701 608574321 /nfs/dbraw/zinc/57/43/21/608574321.db2.gz YAWQENGTSPFCHB-LLVKDONJSA-N 0 2 369.816 2.718 20 50 FFGDLN Cc1ccc(CCCC(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)cc1 ZINC000826287280 608578547 /nfs/dbraw/zinc/57/85/47/608578547.db2.gz JJCKEBUFIYJCRU-UHFFFAOYSA-N 0 2 371.832 2.690 20 50 FFGDLN CC(=Cc1ccc(C)cc1)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000823943129 946525739 /nfs/dbraw/zinc/52/57/39/946525739.db2.gz OHPAIPGVLYVCLX-XFFZJAGNSA-N 0 2 369.816 2.770 20 50 FFGDLN Cc1cc(Cl)ccc1C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826267524 608575981 /nfs/dbraw/zinc/57/59/81/608575981.db2.gz JLPBARMRWBYKDO-UHFFFAOYSA-N 0 2 364.196 2.634 20 50 FFGDLN Cc1cc(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)c(C)n1C(C)C ZINC000826260159 608578495 /nfs/dbraw/zinc/57/84/95/608578495.db2.gz ZEDQIPCGFIIRGE-UHFFFAOYSA-N 0 2 374.836 2.671 20 50 FFGDLN O=C(CCC=Cc1ccccc1)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826405513 608574692 /nfs/dbraw/zinc/57/46/92/608574692.db2.gz ITGCTJALVBXPFB-YWEYNIOJSA-N 0 2 369.816 2.852 20 50 FFGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)C12CC3CC(CC(C3)C1)C2 ZINC000826445267 608575221 /nfs/dbraw/zinc/57/52/21/608575221.db2.gz MWDDNOQFJGJRFH-UHFFFAOYSA-N 0 2 373.848 2.575 20 50 FFGDLN C[C@H](CC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1)C1CCCCC1 ZINC000824385527 608571217 /nfs/dbraw/zinc/57/12/17/608571217.db2.gz WFJAELULQNOSQZ-SNVBAGLBSA-N 0 2 363.853 2.965 20 50 FFGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1sccc1C1CC1 ZINC000826445663 608577592 /nfs/dbraw/zinc/57/75/92/608577592.db2.gz DVBPZVGAMWMIAJ-UHFFFAOYSA-N 0 2 361.818 2.611 20 50 FFGDLN C[NH+](C)[C@H](C(=O)NNc1cccc(F)c1C(=O)[O-])c1ccc(Cl)cc1 ZINC001598162176 990658465 /nfs/dbraw/zinc/65/84/65/990658465.db2.gz CMMDSRYXOPKWIO-HNNXBMFYSA-N 0 2 365.792 2.923 20 50 FFGDLN O=C([O-])CC[C@H]1C[C@H](C(=O)NNc2cc[nH+]c3cc(Cl)ccc23)CO1 ZINC001595005278 951190571 /nfs/dbraw/zinc/19/05/71/951190571.db2.gz MWDNTKMLKNVTMZ-JQWIXIFHSA-N 0 2 363.801 2.601 20 50 FFGDLN COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)NNc1cc[nH+]cc1Cl ZINC000829187380 603805080 /nfs/dbraw/zinc/80/50/80/603805080.db2.gz HGFFAIPUXXZCEX-UHFFFAOYSA-N 0 2 371.180 2.666 20 50 FFGDLN C=C[C@@H](CC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccccc1 ZINC000823883702 608574335 /nfs/dbraw/zinc/57/43/35/608574335.db2.gz YAWQENGTSPFCHB-NSHDSACASA-N 0 2 369.816 2.718 20 50 FFGDLN O=C(CC=Cc1cccc(F)c1)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826404605 608628030 /nfs/dbraw/zinc/62/80/30/608628030.db2.gz GIPODAATEITYKS-RQOWECAXSA-N 0 2 373.779 2.601 20 50 FFGDLN Cc1ccc(Cl)cc1C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826289370 608577288 /nfs/dbraw/zinc/57/72/88/608577288.db2.gz XPJFEFXHCIEFLT-UHFFFAOYSA-N 0 2 364.196 2.634 20 50 FFGDLN CC(C)Cc1ccc(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)cc1 ZINC000824280401 608576808 /nfs/dbraw/zinc/57/68/08/608576808.db2.gz MCQMNAPKOYKTOC-UHFFFAOYSA-N 0 2 371.832 2.871 20 50 FFGDLN CC1(C)CCC[C@@H](CC(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)C1 ZINC000824803342 608580751 /nfs/dbraw/zinc/58/07/51/608580751.db2.gz TZGWCMVVNBFRTI-JTQLQIEISA-N 0 2 363.853 2.965 20 50 FFGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)[C@@H](c1ccccc1)C1CC1 ZINC000826445534 608581956 /nfs/dbraw/zinc/58/19/56/608581956.db2.gz YDQZGOBQNGCYLZ-HNNXBMFYSA-N 0 2 369.816 2.552 20 50 FFGDLN O=C(C=CSc1ccccc1)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826399642 608628137 /nfs/dbraw/zinc/62/81/37/608628137.db2.gz BDFQHMCTSOYJMS-SREVYHEPSA-N 0 2 373.829 2.664 20 50 FFGDLN Cc1cc(Cl)cc(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)c1 ZINC000826267570 947772662 /nfs/dbraw/zinc/77/26/62/947772662.db2.gz LLYMZRVEAFWIMF-UHFFFAOYSA-N 0 2 364.196 2.634 20 50 FFGDLN C[C@H](CC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1)CC(C)(C)C ZINC000824385470 608576784 /nfs/dbraw/zinc/57/67/84/608576784.db2.gz UUWWMKBFLIZPCG-SECBINFHSA-N 0 2 351.842 2.821 20 50 FFGDLN C[C@@H](CC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccccc1 ZINC000824385166 608579427 /nfs/dbraw/zinc/57/94/27/608579427.db2.gz NJOCUGVSHNEYOK-JTQLQIEISA-N 0 2 357.805 2.552 20 50 FFGDLN Cc1ccc(/C=C/CC(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)cc1 ZINC000826285471 608627623 /nfs/dbraw/zinc/62/76/23/608627623.db2.gz APEPBFVVVQPBKL-NSCUHMNNSA-N 0 2 369.816 2.770 20 50 FFGDLN CCCCC[C@@H](C)CC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000825267155 608578245 /nfs/dbraw/zinc/57/82/45/608578245.db2.gz JALKNZNQXJDHEH-SNVBAGLBSA-N 0 2 351.842 2.965 20 50 FFGDLN C[C@@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000833520232 605743710 /nfs/dbraw/zinc/74/37/10/605743710.db2.gz BUIKNAUDVCOEAX-CYBMUJFWSA-N 0 2 365.393 2.958 20 50 FFGDLN CC[C@H](Cc1ccccc1)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000825127861 608574238 /nfs/dbraw/zinc/57/42/38/608574238.db2.gz PAXGSGCDWDKTQK-GFCCVEGCSA-N 0 2 371.832 2.627 20 50 FFGDLN CC(=CC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1cccc(F)c1 ZINC000823942510 608576741 /nfs/dbraw/zinc/57/67/41/608576741.db2.gz DTSHULSNIFSCKB-UITAMQMPSA-N 0 2 373.779 2.601 20 50 FFGDLN CCC[C@H](C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccccc1 ZINC000825225627 608579425 /nfs/dbraw/zinc/57/94/25/608579425.db2.gz VQMZKJQFPCOULU-ZDUSSCGKSA-N 0 2 371.832 2.942 20 50 FFGDLN CC(C)=C[C@H]1[C@H](C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)C1(C)C ZINC000824177720 608579481 /nfs/dbraw/zinc/57/94/81/608579481.db2.gz JJTQEWVDKMNPBV-GXFFZTMASA-N 0 2 361.837 2.597 20 50 FFGDLN C[C@H](C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000736225097 978311096 /nfs/dbraw/zinc/31/10/96/978311096.db2.gz WACLUCKMRIWDOI-GFCCVEGCSA-N 0 2 358.350 2.719 20 50 FFGDLN C[C@H](C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000736225097 978311103 /nfs/dbraw/zinc/31/11/03/978311103.db2.gz WACLUCKMRIWDOI-GFCCVEGCSA-N 0 2 358.350 2.719 20 50 FFGDLN CCCCCC[C@@H](C)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000825271777 608575624 /nfs/dbraw/zinc/57/56/24/608575624.db2.gz NXDLPGXXMYNYBC-SNVBAGLBSA-N 0 2 351.842 2.965 20 50 FFGDLN CC1(C)CCC[C@H](CC(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)C1 ZINC000824803344 608581001 /nfs/dbraw/zinc/58/10/01/608581001.db2.gz TZGWCMVVNBFRTI-SNVBAGLBSA-N 0 2 363.853 2.965 20 50 FFGDLN C[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000833520233 605743973 /nfs/dbraw/zinc/74/39/73/605743973.db2.gz BUIKNAUDVCOEAX-ZDUSSCGKSA-N 0 2 365.393 2.958 20 50 FFGDLN C[C@@H](CC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1)C1CCCCC1 ZINC000824385526 608571311 /nfs/dbraw/zinc/57/13/11/608571311.db2.gz WFJAELULQNOSQZ-JTQLQIEISA-N 0 2 363.853 2.965 20 50 FFGDLN CCc1sc(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)cc1C ZINC000825783132 608571792 /nfs/dbraw/zinc/57/17/92/608571792.db2.gz ZKWXFTUOTSEPEQ-UHFFFAOYSA-N 0 2 363.834 2.604 20 50 FFGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1cccc(C(F)F)c1 ZINC000826445887 608575246 /nfs/dbraw/zinc/57/52/46/608575246.db2.gz PLQOZTXLWBPGDM-UHFFFAOYSA-N 0 2 365.731 2.610 20 50 FFGDLN CC[C@H](CC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccccc1 ZINC000825083163 608576831 /nfs/dbraw/zinc/57/68/31/608576831.db2.gz XZTHXKPJEQEWCB-LLVKDONJSA-N 0 2 371.832 2.942 20 50 FFGDLN CC[C@@H](C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccccc1 ZINC000825039712 947056560 /nfs/dbraw/zinc/05/65/60/947056560.db2.gz VBZKQGQGHKGQRT-GFCCVEGCSA-N 0 2 357.805 2.552 20 50 FFGDLN O=C([O-])CC[C@@H]1C[C@@H](C(=O)NNc2cc[nH+]c3cc(Cl)ccc23)CO1 ZINC001595005280 951190712 /nfs/dbraw/zinc/19/07/12/951190712.db2.gz MWDNTKMLKNVTMZ-ZYHUDNBSSA-N 0 2 363.801 2.601 20 50 FFGDLN C[NH+](C)[C@@H](C(=O)NNc1cccc(F)c1C(=O)[O-])c1ccc(Cl)cc1 ZINC001598162247 990658608 /nfs/dbraw/zinc/65/86/08/990658608.db2.gz CMMDSRYXOPKWIO-OAHLLOKOSA-N 0 2 365.792 2.923 20 50 FFGDLN CC(C)CCCCCC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000824244052 608574390 /nfs/dbraw/zinc/57/43/90/608574390.db2.gz QAWYNFVGPOPHBJ-UHFFFAOYSA-N 0 2 351.842 2.965 20 50 FFGDLN CC1(C)CCC(=CC(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)CC1 ZINC000824797217 608629252 /nfs/dbraw/zinc/62/92/52/608629252.db2.gz XEWQRBYONNNSPU-UHFFFAOYSA-N 0 2 361.837 2.885 20 50 FFGDLN Cc1cc(C)c(CC(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)c(C)c1 ZINC000826263233 608322279 /nfs/dbraw/zinc/32/22/79/608322279.db2.gz QYWLMMDQHDNNIB-UHFFFAOYSA-N 0 2 371.832 2.526 20 50 FFGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)[C@H]1C[C@H]1C1CCCCC1 ZINC000826445522 608577669 /nfs/dbraw/zinc/57/76/69/608577669.db2.gz XTFYECZCVKPVJU-RYUDHWBXSA-N 0 2 361.837 2.575 20 50 FFGDLN Cc1ccc(C[C@H](C)C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)cc1 ZINC000826286980 947832664 /nfs/dbraw/zinc/83/26/64/947832664.db2.gz XZUAARKBQZMEJY-NSHDSACASA-N 0 2 371.832 2.545 20 50 FFGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccc2ccccc2c1 ZINC000826446111 948311060 /nfs/dbraw/zinc/31/10/60/948311060.db2.gz ZZINVSHNYPTQGT-UHFFFAOYSA-N 0 2 365.784 2.825 20 50 FFGDLN C[NH+](C)[C@@H](C(=O)NNc1ccc(CC(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC001598162520 990661463 /nfs/dbraw/zinc/66/14/63/990661463.db2.gz GYLQVOYOAYAZNL-QGZVFWFLSA-N 0 2 361.829 2.713 20 50 FFGDLN CCCC[C@@H](CC)CC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000825261322 608573320 /nfs/dbraw/zinc/57/33/20/608573320.db2.gz WTMMNHMMFDGZRO-SNVBAGLBSA-N 0 2 351.842 2.965 20 50 FFGDLN CC(C)(C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1)C1CCCCC1 ZINC000824064266 608574216 /nfs/dbraw/zinc/57/42/16/608574216.db2.gz FOKDHPXGFWPUMN-UHFFFAOYSA-N 0 2 363.853 2.965 20 50 FFGDLN CC(C)(C)[Si](C)(C)OC[C@@H]1CCCC[N@@H+]1Cc1cn(CC(=O)[O-])nn1 ZINC001590452083 990016612 /nfs/dbraw/zinc/01/66/12/990016612.db2.gz XDXWLWZVTBSHIZ-HNNXBMFYSA-N 0 2 368.554 2.739 20 50 FFGDLN CC(C)(C)[Si](C)(C)OC[C@@H]1CCCC[N@H+]1Cc1cn(CC(=O)[O-])nn1 ZINC001590452083 990016621 /nfs/dbraw/zinc/01/66/21/990016621.db2.gz XDXWLWZVTBSHIZ-HNNXBMFYSA-N 0 2 368.554 2.739 20 50 FFGDLN CC(C)CC1(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)CCCC1 ZINC000824237560 608578076 /nfs/dbraw/zinc/57/80/76/608578076.db2.gz TVMDSPXPTLGPSO-UHFFFAOYSA-N 0 2 363.853 2.965 20 50 FFGDLN CC(C)(C)[Si](C)(C)OC[C@H]1CCCC[N@@H+]1Cc1cn(CC(=O)[O-])nn1 ZINC001590452086 990016215 /nfs/dbraw/zinc/01/62/15/990016215.db2.gz XDXWLWZVTBSHIZ-OAHLLOKOSA-N 0 2 368.554 2.739 20 50 FFGDLN CC(C)(C)[Si](C)(C)OC[C@H]1CCCC[N@H+]1Cc1cn(CC(=O)[O-])nn1 ZINC001590452086 990016225 /nfs/dbraw/zinc/01/62/25/990016225.db2.gz XDXWLWZVTBSHIZ-OAHLLOKOSA-N 0 2 368.554 2.739 20 50 FFGDLN CC(C)(C)c1ccccc1C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000824136690 608575559 /nfs/dbraw/zinc/57/55/59/608575559.db2.gz VCGWFRQASSDMIH-UHFFFAOYSA-N 0 2 371.832 2.970 20 50 FFGDLN CCc1ccc([C@H](C)C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)cc1 ZINC000825704612 608576635 /nfs/dbraw/zinc/57/66/35/608576635.db2.gz KNBOVGKKKWUTIE-JTQLQIEISA-N 0 2 371.832 2.724 20 50 FFGDLN CCc1ccc([C@@H](C)C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)cc1 ZINC000825704613 608576786 /nfs/dbraw/zinc/57/67/86/608576786.db2.gz KNBOVGKKKWUTIE-SNVBAGLBSA-N 0 2 371.832 2.724 20 50 FFGDLN CCCCC[C@H](C)CC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000825267152 608578181 /nfs/dbraw/zinc/57/81/81/608578181.db2.gz JALKNZNQXJDHEH-JTQLQIEISA-N 0 2 351.842 2.965 20 50 FFGDLN CC(C)(C)SCCCC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000824123351 608581075 /nfs/dbraw/zinc/58/10/75/608581075.db2.gz FUHJUMDHOJMGNG-UHFFFAOYSA-N 0 2 369.882 2.670 20 50 FFGDLN O=C(CC=Cc1ccc(F)cc1)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826404438 608625325 /nfs/dbraw/zinc/62/53/25/608625325.db2.gz AMJITZXPYVKXJQ-OWOJBTEDSA-N 0 2 373.779 2.601 20 50 FFGDLN CC[C@@H](CC1CCCC1)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000825115160 608575583 /nfs/dbraw/zinc/57/55/83/608575583.db2.gz UXDOJGQDMBPVOY-NSHDSACASA-N 0 2 363.853 2.965 20 50 FFGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccc2sccc2c1 ZINC000826445779 608575281 /nfs/dbraw/zinc/57/52/81/608575281.db2.gz JNHFBAKTKFXFOT-UHFFFAOYSA-N 0 2 371.813 2.887 20 50 FFGDLN CC1(C)CCCC[C@H]1CC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000824802706 608578144 /nfs/dbraw/zinc/57/81/44/608578144.db2.gz OFWPBTQISKBTOI-NSHDSACASA-N 0 2 363.853 2.965 20 50 FFGDLN CC(=Cc1ccc(F)cc1)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000823942998 608626526 /nfs/dbraw/zinc/62/65/26/608626526.db2.gz MKKAMUURPFFXPO-RMKNXTFCSA-N 0 2 373.779 2.601 20 50 FFGDLN O=C(C=CSc1ccccc1)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826399643 608627860 /nfs/dbraw/zinc/62/78/60/608627860.db2.gz BDFQHMCTSOYJMS-VOTSOKGWSA-N 0 2 373.829 2.664 20 50 FFGDLN O=C([O-])N[C@H](CC(F)F)C(=O)NNc1cc[nH+]c2cc(Cl)ccc12 ZINC000834134277 605308676 /nfs/dbraw/zinc/30/86/76/605308676.db2.gz GVRLWILOVLTHOI-LLVKDONJSA-N 0 2 358.732 2.623 20 50 FFGDLN CCCCCC[C@H](C)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000825271776 608575599 /nfs/dbraw/zinc/57/55/99/608575599.db2.gz NXDLPGXXMYNYBC-JTQLQIEISA-N 0 2 351.842 2.965 20 50 FFGDLN CC(=NNC(=O)c1ccc(O)c(Cl)c1)c1ccc(-c2nn[nH]n2)cc1F ZINC000823948178 609276663 /nfs/dbraw/zinc/27/66/63/609276663.db2.gz FOHWSOXAJUAMMS-UHFFFAOYSA-N 0 2 374.763 2.519 20 50 FFGDLN C[NH+](C)[C@H](C(=O)NNc1ccc(CC(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC001598162518 990661256 /nfs/dbraw/zinc/66/12/56/990661256.db2.gz GYLQVOYOAYAZNL-KRWDZBQOSA-N 0 2 361.829 2.713 20 50 FFGDLN O=C([O-])CC[C@H]1C[C@@H](C(=O)NNc2cc[nH+]c3cc(Cl)ccc23)CO1 ZINC001595005279 951190812 /nfs/dbraw/zinc/19/08/12/951190812.db2.gz MWDNTKMLKNVTMZ-PWSUYJOCSA-N 0 2 363.801 2.601 20 50 FFGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1cccc2ccccc21 ZINC000826445989 608577568 /nfs/dbraw/zinc/57/75/68/608577568.db2.gz UJYVLTMQNQEWED-UHFFFAOYSA-N 0 2 365.784 2.825 20 50 FFGDLN CC1(C)CCCC[C@@H]1CC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000824802703 608578062 /nfs/dbraw/zinc/57/80/62/608578062.db2.gz OFWPBTQISKBTOI-LLVKDONJSA-N 0 2 363.853 2.965 20 50 FFGDLN CCCCC[C@H](CC)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000825267930 947139123 /nfs/dbraw/zinc/13/91/23/947139123.db2.gz NQLRVBZEHDUZBM-JTQLQIEISA-N 0 2 351.842 2.965 20 50 FFGDLN Cc1ccccc1C(C)(C)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826306054 608574671 /nfs/dbraw/zinc/57/46/71/608574671.db2.gz OTCXWEQCGHEAPJ-UHFFFAOYSA-N 0 2 371.832 2.644 20 50 FFGDLN CC(C)[C@H]1CC[C@H](C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)CC1 ZINC000824342016 608576943 /nfs/dbraw/zinc/57/69/43/608576943.db2.gz IPDGLAXHTGZKPA-XYPYZODXSA-N 0 2 363.853 2.821 20 50 FFGDLN CC[C@@H](CC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccccc1 ZINC000825083166 608577057 /nfs/dbraw/zinc/57/70/57/608577057.db2.gz XZTHXKPJEQEWCB-NSHDSACASA-N 0 2 371.832 2.942 20 50 FFGDLN CC1(C)CCC(CC(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)CC1 ZINC000824795891 608574378 /nfs/dbraw/zinc/57/43/78/608574378.db2.gz HVBYZIAIKAYDGE-UHFFFAOYSA-N 0 2 363.853 2.965 20 50 FFGDLN O=C(CCC=Cc1ccccc1)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826405512 608574559 /nfs/dbraw/zinc/57/45/59/608574559.db2.gz ITGCTJALVBXPFB-XBXARRHUSA-N 0 2 369.816 2.852 20 50 FFGDLN CC(C)[C@H](C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccccc1 ZINC000824184393 608575496 /nfs/dbraw/zinc/57/54/96/608575496.db2.gz GRJKMWYEDUDEAQ-HNNXBMFYSA-N 0 2 371.832 2.798 20 50 FFGDLN CCC[C@@H](C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccccc1 ZINC000825225626 608579467 /nfs/dbraw/zinc/57/94/67/608579467.db2.gz VQMZKJQFPCOULU-CYBMUJFWSA-N 0 2 371.832 2.942 20 50 FFGDLN C[C@@H](C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000736225099 978311410 /nfs/dbraw/zinc/31/14/10/978311410.db2.gz WACLUCKMRIWDOI-LBPRGKRZSA-N 0 2 358.350 2.719 20 50 FFGDLN C[C@@H](C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000736225099 978311417 /nfs/dbraw/zinc/31/14/17/978311417.db2.gz WACLUCKMRIWDOI-LBPRGKRZSA-N 0 2 358.350 2.719 20 50 FFGDLN CC(C)c1ccc(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)c(O)c1 ZINC000824347614 608576706 /nfs/dbraw/zinc/57/67/06/608576706.db2.gz HJIXJEUITXOPPW-UHFFFAOYSA-N 0 2 373.804 2.501 20 50 FFGDLN CC(C)c1ccc(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)cc1 ZINC000824347636 608576841 /nfs/dbraw/zinc/57/68/41/608576841.db2.gz IDIUSFISNKRSSH-UHFFFAOYSA-N 0 2 357.805 2.795 20 50 FFGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccc(C(F)F)cc1 ZINC000826446022 608579127 /nfs/dbraw/zinc/57/91/27/608579127.db2.gz VRSYQHNBAHDDST-UHFFFAOYSA-N 0 2 365.731 2.610 20 50 FFGDLN CC(C)(C)c1ccc(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)cc1 ZINC000824136218 946599879 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