smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1C(=O)c2cccc3c2c1ccc3S(=O)(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000000628543 193862463 /nfs/dbraw/zinc/86/24/63/193862463.db2.gz KCBJTDNGWZJUGQ-GOSISDBHSA-N -1 0 449.488 2.885 50 0 IFAARM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=O)c4ccccc4F)CC3)cc21 ZINC000000686337 132229203 /nfs/dbraw/zinc/22/92/03/132229203.db2.gz ZGOVZBHDWPEHRL-UHFFFAOYSA-N -1 0 441.434 2.960 50 0 IFAARM Cc1cccc(N2CCN(C(=O)C[C@@H]3N=C4c5ccccc5[N-]C(=S)N4C3=O)CC2)c1C ZINC000002966972 132259709 /nfs/dbraw/zinc/25/97/09/132259709.db2.gz QKKMHHOGUXSNQS-IBGZPJMESA-N -1 0 447.564 2.710 50 0 IFAARM COc1cccc(N2CCN(C(=O)c3ccc4nc([N-]S(C)(=O)=O)sc4c3)CC2)c1 ZINC000013727810 132354208 /nfs/dbraw/zinc/35/42/08/132354208.db2.gz OCKQWCHZHSSXFH-UHFFFAOYSA-N -1 0 446.554 2.639 50 0 IFAARM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(CN3C(=O)c4cccnc4C3=O)s2)cc1 ZINC000020560503 518385333 /nfs/dbraw/zinc/38/53/33/518385333.db2.gz KOBVCOGTUAVYSV-UHFFFAOYSA-N -1 0 441.490 2.943 50 0 IFAARM CC1CCC(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000012526266 520953412 /nfs/dbraw/zinc/95/34/12/520953412.db2.gz CKIASZJHZLEZHI-UHFFFAOYSA-N -1 0 428.514 2.966 50 0 IFAARM CCOC(=O)[C@H]1CCCN(c2ncc(NS(=O)(=O)c3ccccc3C)cc2C(=O)[O-])C1 ZINC000035397304 521305153 /nfs/dbraw/zinc/30/51/53/521305153.db2.gz DVTZMVNHQMKDOQ-HNNXBMFYSA-N -1 0 447.513 2.669 50 0 IFAARM CCN1CCc2c3ccccc3[nH]c2[C@H]1c1c([O-])[nH]c(=O)n(-c2cccc(OC)c2)c1=O ZINC000012888578 521724686 /nfs/dbraw/zinc/72/46/86/521724686.db2.gz OGEQELQSDHYIFM-OAQYLSRUSA-N -1 0 432.480 2.689 50 0 IFAARM COc1ccc(CCNC(=O)c2csc([N-]S(=O)(=O)c3ccc(OC)cc3)n2)cc1 ZINC000012628237 523972219 /nfs/dbraw/zinc/97/22/19/523972219.db2.gz AHCKUTMIMZSPSC-UHFFFAOYSA-N -1 0 447.538 2.934 50 0 IFAARM COc1ccc(C[C@@H]2CC[C@@H](CCC(=O)N[C@@H]3CN4[C@@H]3SC(C)(C)[C@@H]4C(=O)[O-])O2)cc1 ZINC000012296285 524142015 /nfs/dbraw/zinc/14/20/15/524142015.db2.gz VDDXUGGVJSQYDR-GCGJSEPQSA-N -1 0 448.585 2.671 50 0 IFAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NCCCN2CCCC2=O)c1 ZINC000012544873 524645193 /nfs/dbraw/zinc/64/51/93/524645193.db2.gz MKVMYEDXGUTSDS-UHFFFAOYSA-N -1 0 445.541 2.547 50 0 IFAARM C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2[N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000012544858 525205904 /nfs/dbraw/zinc/20/59/04/525205904.db2.gz HVEGAZUFGWEIBG-ZIAGYGMSSA-N -1 0 428.514 2.775 50 0 IFAARM CS(=O)(=O)Nc1ccc2nc(N3CCN(c4ccccc4F)CC3)cc(C(=O)[O-])c2c1 ZINC000032985199 525223794 /nfs/dbraw/zinc/22/37/94/525223794.db2.gz FLNGCIPROYSKJL-UHFFFAOYSA-N -1 0 444.488 2.770 50 0 IFAARM C[C@H](Sc1nccn1C1CC1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000021830995 526006011 /nfs/dbraw/zinc/00/60/11/526006011.db2.gz DCCIBUFGBYJWHI-ZDUSSCGKSA-N -1 0 444.542 2.928 50 0 IFAARM COc1cccc(NC(=O)CSc2nnc(-c3ccccc3NC(C)=O)c(=O)[n-]2)c1 ZINC000035377941 526180850 /nfs/dbraw/zinc/18/08/50/526180850.db2.gz MWHLWXDZRULRIA-UHFFFAOYSA-N -1 0 425.470 2.942 50 0 IFAARM Cc1nnc([N-]C(=O)c2nc(S(=O)(=O)Cc3ccccc3F)ncc2Cl)s1 ZINC000011913890 526368413 /nfs/dbraw/zinc/36/84/13/526368413.db2.gz YDEDGIFETFNQRQ-UHFFFAOYSA-N -1 0 427.870 2.655 50 0 IFAARM O=C(c1ccco1)N1CCN([C@H](c2sc3ncnn3c2[O-])c2ccc(F)cc2)CC1 ZINC000022609754 526831151 /nfs/dbraw/zinc/83/11/51/526831151.db2.gz LNBUDALEZPGFSM-INIZCTEOSA-N -1 0 427.461 2.776 50 0 IFAARM CCC(NCc1cc(OC)cc(OC)c1)=C1C(=O)[N-]C(=O)N(c2ccc(OC)cc2)C1=O ZINC000001272543 535226185 /nfs/dbraw/zinc/22/61/85/535226185.db2.gz SZAJFLWFSRODKU-FMQUCBEESA-N -1 0 439.468 2.749 50 0 IFAARM CCn1nc(C)c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)c1C ZINC000000655717 555524747 /nfs/dbraw/zinc/52/47/47/555524747.db2.gz XNNLMCNLQLCBIL-UHFFFAOYSA-N -1 0 428.518 2.980 50 0 IFAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccc([C@H]3Cc4ccccc4C(=O)O3)n2)cc1 ZINC000000986579 555595099 /nfs/dbraw/zinc/59/50/99/555595099.db2.gz JQCSNXGCIZXKDN-LJQANCHMSA-N -1 0 438.465 2.690 50 0 IFAARM O=C([O-])COc1ccc(NC(=O)COc2ccc(I)cc2)cc1 ZINC000001110383 555631082 /nfs/dbraw/zinc/63/10/82/555631082.db2.gz PAHZHCLLTMRCNP-UHFFFAOYSA-N -1 0 427.194 2.772 50 0 IFAARM COC(=O)[C@](NC(=O)c1ccccc1)(c1c(C)[n-]n(-c2ccccc2)c1=O)C(F)(F)F ZINC000002863680 555846408 /nfs/dbraw/zinc/84/64/08/555846408.db2.gz KKUGDVNVLMCKQX-HXUWFJFHSA-N -1 0 433.386 2.835 50 0 IFAARM COc1ccccc1C(=O)N/C(=C/c1ccccc1)C(=O)N[C@H](CCSC)C(=O)[O-] ZINC000002956505 555867028 /nfs/dbraw/zinc/86/70/28/555867028.db2.gz FCLVNKXOEPWSHL-SOGDLCAJSA-N -1 0 428.510 2.789 50 0 IFAARM COc1cc(-c2nnc(CCC(=O)NCc3ccc(F)cc3)c(=O)[n-]2)cc(OC)c1OC ZINC000034767978 555907488 /nfs/dbraw/zinc/90/74/88/555907488.db2.gz VNOUOCLHNXUJDN-UHFFFAOYSA-N -1 0 442.447 2.658 50 0 IFAARM COc1ccc(CCNC(=O)CCc2nnc(-c3cccc(F)c3)[n-]c2=O)cc1OC ZINC000034768550 555907550 /nfs/dbraw/zinc/90/75/50/555907550.db2.gz BAUVZJKUSXWWMH-UHFFFAOYSA-N -1 0 426.448 2.692 50 0 IFAARM O=C([O-])C1CCN(C(=O)CSc2nc3ccccc3c(=O)n2Cc2ccccc2)CC1 ZINC000003320306 555918897 /nfs/dbraw/zinc/91/88/97/555918897.db2.gz BXKDVFVJFOKBPY-UHFFFAOYSA-N -1 0 437.521 2.860 50 0 IFAARM CSCC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000004537232 556000292 /nfs/dbraw/zinc/00/02/92/556000292.db2.gz VXEXZNQIPZLQBX-MOPGFXCFSA-N -1 0 430.526 2.847 50 0 IFAARM O=C(CCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3)N1CCN(c2ccccc2)CC1 ZINC000002975372 556153133 /nfs/dbraw/zinc/15/31/33/556153133.db2.gz GUPKRCARXJWFBD-UHFFFAOYSA-N -1 0 438.509 2.527 50 0 IFAARM COc1cccc(CNC(=O)CCCn2c(=O)c3cc4c(cc3[n-]c2=S)OCO4)c1 ZINC000002975231 556153172 /nfs/dbraw/zinc/15/31/72/556153172.db2.gz JOSUAWPUTPCPGS-UHFFFAOYSA-N -1 0 427.482 2.893 50 0 IFAARM CCOc1ccc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc1I ZINC000009323690 556281368 /nfs/dbraw/zinc/28/13/68/556281368.db2.gz FAJGPWPUVPLLJD-IZZDOVSWSA-N -1 0 433.223 2.811 50 0 IFAARM COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(Cl)c4)c(=O)c2=3)cc1 ZINC000009748288 556307925 /nfs/dbraw/zinc/30/79/25/556307925.db2.gz XHVRNTPDGGNIOS-QZTJIDSGSA-N -1 0 427.848 2.589 50 0 IFAARM Cc1cc(C)cc(-n2c(=O)c3[n-][nH]n(CC(=O)NCc4ccc(Cl)cc4)c=3c2=O)c1 ZINC000009748263 556307972 /nfs/dbraw/zinc/30/79/72/556307972.db2.gz BPMSTXSKQLSXFT-RTBURBONSA-N -1 0 425.876 2.566 50 0 IFAARM Cc1cc(C)cc(-n2c(=O)c3[n-][nH]n(CC(=O)NCc4ccc(Cl)cc4)c=3c2=O)c1 ZINC000009748257 556308004 /nfs/dbraw/zinc/30/80/04/556308004.db2.gz BPMSTXSKQLSXFT-RBUKOAKNSA-N -1 0 425.876 2.566 50 0 IFAARM COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1F ZINC000013990291 556352774 /nfs/dbraw/zinc/35/27/74/556352774.db2.gz GMFOTPMCFDENJY-UHFFFAOYSA-N -1 0 443.503 2.892 50 0 IFAARM CC1=C(C(=O)N2CCOCC2)[C@@H](c2cccc(F)c2)NC(=O)N1c1cccc(C(=O)[O-])c1 ZINC000014247170 556407142 /nfs/dbraw/zinc/40/71/42/556407142.db2.gz ZWFLCRMNCUNDBN-HXUWFJFHSA-N -1 0 439.443 2.928 50 0 IFAARM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)c(F)cc1Br ZINC000072285718 556476335 /nfs/dbraw/zinc/47/63/35/556476335.db2.gz FFHGOYODVTZTFN-UHFFFAOYSA-N -1 0 446.250 2.947 50 0 IFAARM COC(=O)c1sc(S(=O)(=O)[N-]c2ccc3c(c2)OCCCO3)c(C(=O)OC)c1C ZINC000013140927 556485999 /nfs/dbraw/zinc/48/59/99/556485999.db2.gz TWRTUICAPZRGNE-UHFFFAOYSA-N -1 0 441.483 2.592 50 0 IFAARM COc1ccccc1-c1noc(CNC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])n1 ZINC000013236183 556500333 /nfs/dbraw/zinc/50/03/33/556500333.db2.gz CIEBJVNTFPNHHI-KRWDZBQOSA-N -1 0 435.440 2.722 50 0 IFAARM O=C(CSc1nc2c(-c3ccc(F)cc3)c[n-]n2c(=O)n1)NCc1ccccc1F ZINC000015107340 556504166 /nfs/dbraw/zinc/50/41/66/556504166.db2.gz HPMUCBXYBFOGOZ-UHFFFAOYSA-N -1 0 427.436 2.771 50 0 IFAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1nncn1-c1ccccc1F ZINC000013398625 556504567 /nfs/dbraw/zinc/50/45/67/556504567.db2.gz MRZPTVUFOKTEFW-QGZVFWFLSA-N -1 0 439.472 2.792 50 0 IFAARM O=C1N[C@H](c2cccc(Br)c2)C(=C([O-])c2cccnc2)[C@@](O)(C(F)(F)F)N1 ZINC000015906050 556562490 /nfs/dbraw/zinc/56/24/90/556562490.db2.gz PIAWJZCYXTZLCX-XJKCOSOUSA-N -1 0 444.207 2.948 50 0 IFAARM Cn1c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4cccs4)cc3)cc2n(C)c1=O ZINC000016650344 556620390 /nfs/dbraw/zinc/62/03/90/556620390.db2.gz SEIAJHHEGOLZFN-UHFFFAOYSA-N -1 0 442.522 2.992 50 0 IFAARM CSc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)c1 ZINC000100707248 556655543 /nfs/dbraw/zinc/65/55/43/556655543.db2.gz NLBSLEPPARVKET-IRXDYDNUSA-N -1 0 429.889 2.994 50 0 IFAARM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccco3)nn2[C@H]2CCS(=O)(=O)C2)cc1C ZINC000011795885 556656966 /nfs/dbraw/zinc/65/69/66/556656966.db2.gz FSWLSRQGSSJANM-HNNXBMFYSA-N -1 0 435.527 2.920 50 0 IFAARM CCc1ccc(N2C(=O)C[C@H](N(Cc3ccc(OC)cc3)C(=O)CCC(=O)[O-])C2=O)cc1 ZINC000100749613 556662424 /nfs/dbraw/zinc/66/24/24/556662424.db2.gz HCQAZPPCCBZZDY-FQEVSTJZSA-N -1 0 438.480 2.783 50 0 IFAARM Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)[N-]c1ccccc1C(F)(F)F ZINC000011858294 556663484 /nfs/dbraw/zinc/66/34/84/556663484.db2.gz OBXWBBJXSFZZSQ-UHFFFAOYSA-N -1 0 448.444 2.881 50 0 IFAARM CC(C)Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])CC2)cc1 ZINC000017100616 556665507 /nfs/dbraw/zinc/66/55/07/556665507.db2.gz KQQPTGAMJWINKN-PMACEKPBSA-N -1 0 436.574 2.609 50 0 IFAARM O=C([O-])[C@H]1CC[C@H](CNC(=O)[C@H]2CC[C@H](Cn3c(=O)[nH]c4ccccc4c3=O)CC2)CC1 ZINC000238899984 556681948 /nfs/dbraw/zinc/68/19/48/556681948.db2.gz HMVYQOABRBKVBN-OPMHRUBESA-N -1 0 441.528 2.916 50 0 IFAARM O=C([O-])c1ccc(CNC(=O)Cn2nc(-c3ccc(Br)cc3)ccc2=O)cc1 ZINC000061717556 556723972 /nfs/dbraw/zinc/72/39/72/556723972.db2.gz CJPFPOQKPQJINY-UHFFFAOYSA-N -1 0 442.269 2.687 50 0 IFAARM COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(C)c(-n2nnnc2C)c1 ZINC000058245024 556774946 /nfs/dbraw/zinc/77/49/46/556774946.db2.gz VFIFACXKRUZPDC-UHFFFAOYSA-N -1 0 438.307 2.851 50 0 IFAARM Cc1oc(-c2n[nH]cc2C(=O)N2CCOCC2)cc1S(=O)(=O)[N-]c1cc(C)ccc1C ZINC000097940908 556810677 /nfs/dbraw/zinc/81/06/77/556810677.db2.gz FITCLHGGOXOWCG-UHFFFAOYSA-N -1 0 444.513 2.868 50 0 IFAARM Cc1oc(-c2n[nH]cc2C(=O)N2CCOCC2)cc1S(=O)(=O)[N-]c1ccc(F)c(C)c1 ZINC000097940925 556811026 /nfs/dbraw/zinc/81/10/26/556811026.db2.gz FAVALDGFOOTSBP-UHFFFAOYSA-N -1 0 448.476 2.699 50 0 IFAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000019632762 556833365 /nfs/dbraw/zinc/83/33/65/556833365.db2.gz INCUSDBSWJWDFB-MSOLQXFVSA-N -1 0 440.949 2.620 50 0 IFAARM CCn1ncc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3[C@H](C)CCC[C@@H]3C)cc2)c1C ZINC000019632473 556833442 /nfs/dbraw/zinc/83/34/42/556833442.db2.gz GQHZDXWDPGZOIR-GASCZTMLSA-N -1 0 440.591 2.964 50 0 IFAARM CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C4CCC(CC4)[C@H]3C(=O)[O-])CC2)cc1 ZINC000019647824 556840879 /nfs/dbraw/zinc/84/08/79/556840879.db2.gz ZYFXMZIMPQIGFU-OWQMCBFZSA-N -1 0 448.585 2.780 50 0 IFAARM CCOC(=O)[C@@H]1CCCN(c2ccc(NS(=O)(=O)c3ccccc3)cc2C(=O)[O-])C1 ZINC000033253380 556893768 /nfs/dbraw/zinc/89/37/68/556893768.db2.gz GKHUUJHHJLUNME-OAHLLOKOSA-N -1 0 432.498 2.965 50 0 IFAARM Cc1ccc(S(=O)(=O)NCCCC[C@H](NC(=O)OCc2ccccc2)C(=O)[O-])cc1 ZINC000019865111 556934321 /nfs/dbraw/zinc/93/43/21/556934321.db2.gz YHLJTFYIMBJHBB-IBGZPJMESA-N -1 0 434.514 2.823 50 0 IFAARM CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000019891849 556939559 /nfs/dbraw/zinc/93/95/59/556939559.db2.gz LIIUSXOFVLATGY-RBUKOAKNSA-N -1 0 430.526 2.847 50 0 IFAARM Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)O[C@@H](C)C(=O)N3CCC(C)CC3)c2)no1 ZINC000020024961 556967053 /nfs/dbraw/zinc/96/70/53/556967053.db2.gz LFHULOGXHNWTIQ-HNNXBMFYSA-N -1 0 435.502 2.588 50 0 IFAARM CCOC(=O)N1CCN(Cc2nc(=O)c3sc(-c4ccc(OC)cc4)cc3[n-]2)CC1 ZINC000096795043 556975358 /nfs/dbraw/zinc/97/53/58/556975358.db2.gz IGJJDGGYHYTVPD-UHFFFAOYSA-N -1 0 428.514 2.934 50 0 IFAARM O=c1c2c(nc3cc(-c4ccccc4)[n-]n31)CCN(S(=O)(=O)c1ccc3c(c1)CCC3)C2 ZINC000097112906 556989842 /nfs/dbraw/zinc/98/98/42/556989842.db2.gz KBUONRNWDUPJIP-UHFFFAOYSA-N -1 0 446.532 2.925 50 0 IFAARM Cc1ccc([C@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(=O)CCC(=O)[O-])cc1 ZINC000023115099 557005595 /nfs/dbraw/zinc/00/55/95/557005595.db2.gz ZHAVRIROEMXBRF-LJQANCHMSA-N -1 0 429.498 2.909 50 0 IFAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cccc(I)c1 ZINC000010720919 557020684 /nfs/dbraw/zinc/02/06/84/557020684.db2.gz FEWSTOAPDZEMRU-UHFFFAOYSA-N -1 0 425.251 2.861 50 0 IFAARM CCCNC(=O)CN1CCN(c2ccc(C(=O)[O-])cc2NC(=O)c2ccc(C)cc2)CC1 ZINC000032946615 557033220 /nfs/dbraw/zinc/03/32/20/557033220.db2.gz OSFFQBGPKMQRND-UHFFFAOYSA-N -1 0 438.528 2.594 50 0 IFAARM CCS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)[O-])c(C)c1 ZINC000048302867 557064368 /nfs/dbraw/zinc/06/43/68/557064368.db2.gz CHIWTJCDKSINJY-UHFFFAOYSA-N -1 0 432.907 2.909 50 0 IFAARM CC(=O)Nc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2nc(S(C)(=O)=O)sc2c1 ZINC000033298990 557074981 /nfs/dbraw/zinc/07/49/81/557074981.db2.gz AAVBYVWMXPFWSM-UHFFFAOYSA-N -1 0 439.540 2.767 50 0 IFAARM COc1cccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(Cl)cc5)no4)c=3c2=O)c1 ZINC000049002697 557090404 /nfs/dbraw/zinc/09/04/04/557090404.db2.gz JRQRILOGTYYZQE-DLBZAZTESA-N -1 0 438.831 2.892 50 0 IFAARM COCCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000024258405 557142034 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CCOC(=O)[C@H](CCc1ccccc1)N[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000002021839 555727606 /nfs/dbraw/zinc/72/76/06/555727606.db2.gz JSDRRTOADPPCHY-VOQZNFBZSA-N -1 0 438.524 2.567 50 0 in-vitro IFAARM O=C(/C=C/c1ccco1)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000002522507 555785768 /nfs/dbraw/zinc/78/57/68/555785768.db2.gz JAPJOLBDXOXSKE-WQICJITCSA-N -1 0 432.476 2.832 50 0 IFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(Br)cc4)c=3c2=O)cc1 ZINC000002786999 555820980 /nfs/dbraw/zinc/82/09/80/555820980.db2.gz XYFJKFDMRHZTCA-DLBZAZTESA-N -1 0 442.273 2.689 50 0 IFAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=N)Nc3nc(C)cc(C)n3)cc2)n1 ZINC000002847030 555838028 /nfs/dbraw/zinc/83/80/28/555838028.db2.gz BFGCJKWVDYHJAJ-UHFFFAOYSA-N -1 0 426.506 2.760 50 0 IFAARM CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000004537228 556000240 /nfs/dbraw/zinc/00/02/40/556000240.db2.gz VXEXZNQIPZLQBX-OALUTQOASA-N -1 0 430.526 2.847 50 0 IFAARM COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)cc1Cl ZINC000002689200 556119731 /nfs/dbraw/zinc/11/97/31/556119731.db2.gz JCWLZOLUOVHOFN-SJORKVTESA-N -1 0 448.266 2.934 50 0 IFAARM Cc1cc(C)cc(NC(=O)CSc2ncc(S(=O)(=O)c3ccccc3)c(=O)[n-]2)c1 ZINC000008684060 556199542 /nfs/dbraw/zinc/19/95/42/556199542.db2.gz AHFWHKDUOLXMAS-UHFFFAOYSA-N -1 0 429.523 2.950 50 0 IFAARM CSc1nc([O-])c(C(c2ccccc2Cl)C2C(=O)N=C(SC)NC2=O)c(=O)[nH]1 ZINC000008716678 556202386 /nfs/dbraw/zinc/20/23/86/556202386.db2.gz QIITXPCHMXPSMR-UHFFFAOYSA-N -1 0 438.918 2.542 50 0 IFAARM Cc1ccc(S(=O)(=O)CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)cc1 ZINC000009009249 556240549 /nfs/dbraw/zinc/24/05/49/556240549.db2.gz YHOCHZWTUJQPRW-UHFFFAOYSA-N -1 0 445.522 2.603 50 0 IFAARM CC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(F)cc2)NC(=O)N1c1cccc(C(=O)[O-])c1 ZINC000014241887 556402378 /nfs/dbraw/zinc/40/23/78/556402378.db2.gz VZEWQWHUDRMAPJ-FQEVSTJZSA-N -1 0 439.443 2.928 50 0 IFAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2nn(-c3ccc(Cl)cc3)c(C)cc2=O)c1 ZINC000028813560 556461431 /nfs/dbraw/zinc/46/14/31/556461431.db2.gz SASZPEMFAAXPBF-UHFFFAOYSA-N -1 0 447.900 2.946 50 0 IFAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)c1 ZINC000028813694 556461785 /nfs/dbraw/zinc/46/17/85/556461785.db2.gz OXNGLYGYVIYTMK-UHFFFAOYSA-N -1 0 427.482 2.810 50 0 IFAARM Cn1c(SCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])nnc1-c1ccccc1 ZINC000013416679 556505243 /nfs/dbraw/zinc/50/52/43/556505243.db2.gz VUBPRPKXMWQFGA-SFHVURJKSA-N -1 0 435.509 2.868 50 0 IFAARM CC[C@@H](C)[C@H](NC(=O)c1ccc(N2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)cc1)C(=O)[O-] ZINC000013577056 556526320 /nfs/dbraw/zinc/52/63/20/556526320.db2.gz WZPOGRXDAQHQKR-UAOJZALGSA-N -1 0 435.480 2.809 50 0 IFAARM CC(C)C[C@H](NC(=O)c1cccc(N2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)c1)C(=O)[O-] ZINC000013576980 556526365 /nfs/dbraw/zinc/52/63/65/556526365.db2.gz UGZAQSMSGBEDBY-PMACEKPBSA-N -1 0 435.480 2.809 50 0 IFAARM NC(=NC(=O)OCc1ccccc1)NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000032225246 556537435 /nfs/dbraw/zinc/53/74/35/556537435.db2.gz YWMQITGDXCEQSI-SFHVURJKSA-N -1 0 442.472 2.597 50 0 IFAARM CSc1nc([O-])c(C(c2ccc(Cl)cc2)C2C(=O)N=C(SC)NC2=O)c(=O)[nH]1 ZINC000016225198 556592304 /nfs/dbraw/zinc/59/23/04/556592304.db2.gz HLJDVBFQCMRZJH-UHFFFAOYSA-N -1 0 438.918 2.542 50 0 IFAARM COc1cc(/C=C(\NC(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)[O-])cc(OC)c1OC ZINC000016676232 556622405 /nfs/dbraw/zinc/62/24/05/556622405.db2.gz PJBGWQSVHAEITC-AUWJEWJLSA-N -1 0 447.440 2.594 50 0 IFAARM COc1ccccc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(C(=O)[O-])c(O)c2)C1=O ZINC000016920403 556649360 /nfs/dbraw/zinc/64/93/60/556649360.db2.gz YCOGZFMXRHYUNV-PXNMLYILSA-N -1 0 428.422 2.774 50 0 IFAARM O=S(=O)([N-]c1cc(-c2ccco2)nn1[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000011795952 556657150 /nfs/dbraw/zinc/65/71/50/556657150.db2.gz AJPRIKIKOMNYRE-CYBMUJFWSA-N -1 0 441.918 2.957 50 0 IFAARM CCOc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N2CCC(O)CC2)cc1 ZINC000033012159 556659867 /nfs/dbraw/zinc/65/98/67/556659867.db2.gz KRNBZTFJGJSDJF-UHFFFAOYSA-N -1 0 428.514 2.790 50 0 IFAARM CC(C)Oc1ccccc1[N-]S(=O)(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1 ZINC000011858218 556663614 /nfs/dbraw/zinc/66/36/14/556663614.db2.gz LNJHCBBPNFIXJL-CQSZACIVSA-N -1 0 438.527 2.587 50 0 IFAARM Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC(C)=C(C)C[C@H]3C(=O)[O-])CC2)cc1C ZINC000017099032 556664272 /nfs/dbraw/zinc/66/42/72/556664272.db2.gz IYVNSIOLSDVAQT-VQTJNVASSA-N -1 0 434.558 2.584 50 0 IFAARM CC(C)Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])CC2)cc1 ZINC000017100618 556665444 /nfs/dbraw/zinc/66/54/44/556665444.db2.gz KQQPTGAMJWINKN-WOJBJXKFSA-N -1 0 436.574 2.609 50 0 IFAARM COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)[N-]c1cccc(Cl)c1C ZINC000011978267 556678035 /nfs/dbraw/zinc/67/80/35/556678035.db2.gz XWCKPBLPWJFPNZ-UHFFFAOYSA-N -1 0 444.918 2.524 50 0 IFAARM CCOC(=O)c1sc(NC(=O)CSc2nnc(-c3ccccc3)c(=O)[n-]2)nc1C ZINC000011990957 556678581 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CSSWRNDDVNXJLD-PCJMVEANSA-N -1 0 442.493 2.509 50 0 IFAARM Cc1cc(S(=O)(=O)Nc2ccccc2I)ccc1OCC(=O)[O-] ZINC000058377259 556783670 /nfs/dbraw/zinc/78/36/70/556783670.db2.gz HZELTHYLOACUGV-UHFFFAOYSA-N -1 0 447.250 2.864 50 0 IFAARM Cc1nc([N-]S(=O)(=O)c2ccccc2)sc1C(=O)N1CCN(c2ccccn2)CC1 ZINC000020426594 557015433 /nfs/dbraw/zinc/01/54/33/557015433.db2.gz RMVNVOJZSVNGGS-UHFFFAOYSA-N -1 0 443.554 2.610 50 0 IFAARM Cc1ccccc1C(=O)O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000010719990 557020625 /nfs/dbraw/zinc/02/06/25/557020625.db2.gz UBEXDRJJLYWNDW-HNNXBMFYSA-N -1 0 440.481 2.770 50 0 IFAARM Cc1cc(C)nc([N-]c2nc(CC(=O)Nc3cccc(NS(C)(=O)=O)c3)cs2)n1 ZINC000049029511 557089049 /nfs/dbraw/zinc/08/90/49/557089049.db2.gz PNKLOZWKZCIGOE-UHFFFAOYSA-N -1 0 432.531 2.846 50 0 IFAARM CCCCN1C(=O)c2ccc(C(=O)Nc3cc(S(=O)(=O)CC)ccc3[O-])cc2C1=O ZINC000024152845 557139056 /nfs/dbraw/zinc/13/90/56/557139056.db2.gz FNHAXTXSYMEZNI-UHFFFAOYSA-N -1 0 430.482 2.834 50 0 IFAARM 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O=C([O-])CCn1cc([C@@H](C(=O)[O-])[NH+]2CCN(c3ccccn3)CC2)c2ccc(F)cc21 ZINC000036365724 569087035 /nfs/dbraw/zinc/08/70/35/569087035.db2.gz QYJDZFAFHOOBQT-NRFANRHFSA-N -1 0 426.448 2.598 50 0 IFAARM O=C([O-])Cn1cc([C@H](C(=O)[O-])[NH+]2CCN(c3ccc(F)cc3)CC2)c2ccc(F)cc21 ZINC000036367060 569087166 /nfs/dbraw/zinc/08/71/66/569087166.db2.gz ZELPDPXVKQGBBM-OAQYLSRUSA-N -1 0 429.423 2.952 50 0 IFAARM NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3noc(C4CCC4)n3)cs2)cc1 ZINC000065009755 569088014 /nfs/dbraw/zinc/08/80/14/569088014.db2.gz WFLKCHOMAOWZTH-UHFFFAOYSA-N -1 0 440.528 2.514 50 0 IFAARM Cc1ccc([N-]S(=O)(=O)c2cc(-c3noc(C(=O)N4CCOCC4)n3)cs2)cc1C ZINC000065097541 569103897 /nfs/dbraw/zinc/10/38/97/569103897.db2.gz GNBWIBSUJPRLAO-UHFFFAOYSA-N -1 0 448.526 2.688 50 0 IFAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3nnc(C(=O)N4CCCC4)o3)cs2)cc1 ZINC000065098745 569104258 /nfs/dbraw/zinc/10/42/58/569104258.db2.gz SXGJDCSXQHEVKT-UHFFFAOYSA-N -1 0 434.499 2.844 50 0 IFAARM 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O=C([O-])[C@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)C(=O)NCc1ccccc1 ZINC000001782754 555714897 /nfs/dbraw/zinc/71/48/97/555714897.db2.gz OCAWQFIVEVCIOW-LEWJYISDSA-N -1 0 447.443 2.839 50 0 IFAARM O=C([O-])c1ccccc1C(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000002655615 555792802 /nfs/dbraw/zinc/79/28/02/555792802.db2.gz LGOWMXLXKNCIFS-UHFFFAOYSA-N -1 0 442.415 2.550 50 0 IFAARM O=C([O-])C=CC(=O)N(CCc1ccccc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000003095278 555886093 /nfs/dbraw/zinc/88/60/93/555886093.db2.gz NUFHZMLAVMQAAW-DOJUMQAQSA-N -1 0 426.856 2.684 50 0 IFAARM COc1cc(OC)cc(-c2nnc(CCC(=O)NCCc3ccccc3OC)c(=O)[n-]2)c1 ZINC000034768214 555907480 /nfs/dbraw/zinc/90/74/80/555907480.db2.gz UREQPRRSQVIYEO-UHFFFAOYSA-N -1 0 438.484 2.562 50 0 IFAARM COc1cc(OC)nc(Oc2cccc(Oc3nc(OC)cc(OC)n3)c2C(=O)[O-])n1 ZINC000004098944 555962256 /nfs/dbraw/zinc/96/22/56/555962256.db2.gz RYVIXQCRCQLFCM-UHFFFAOYSA-N -1 0 430.373 2.584 50 0 in-vitro IFAARM COc1ccc(C)cc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2 ZINC000002689189 556119677 /nfs/dbraw/zinc/11/96/77/556119677.db2.gz BYJIJEYTAYEKQH-MSOLQXFVSA-N -1 0 427.848 2.589 50 0 IFAARM Nc1nc(SCC(=O)Nc2nc3ccccc3s2)[n-]c(=O)c1NC(=O)c1ccco1 ZINC000002712543 556122350 /nfs/dbraw/zinc/12/23/50/556122350.db2.gz XRBXMDYOMZVSAR-UHFFFAOYSA-N -1 0 442.482 2.538 50 0 IFAARM COc1ccc(C(=O)N/C(=C\c2ccccc2)C(=O)N[C@H](CCSC)C(=O)[O-])cc1 ZINC000008666475 556197860 /nfs/dbraw/zinc/19/78/60/556197860.db2.gz KUVSQUVCMQLLFT-GXYBQNOFSA-N -1 0 428.510 2.789 50 0 IFAARM Cn1c2nc3n(cc(-c4ccccc4)n3-c3ccc(Cl)cc3)c2c(=O)n(CC(=O)[O-])c1=O ZINC000013690806 556280015 /nfs/dbraw/zinc/28/00/15/556280015.db2.gz SIDKCDSZOCERND-UHFFFAOYSA-N -1 0 449.854 2.544 50 0 IFAARM O=C(CSc1ncc(S(=O)(=O)c2ccccc2)c(=O)[n-]1)Nc1ccc(Cl)cc1 ZINC000010433690 556334237 /nfs/dbraw/zinc/33/42/37/556334237.db2.gz MUDMLUMBXNLEHR-UHFFFAOYSA-N -1 0 435.914 2.987 50 0 IFAARM COC(=O)c1ccc(NC(=O)CSC2=NC(=O)C(Cc3ccccc3)C([O-])=N2)cc1 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CCOC(=O)N1CCN([C@H](c2sc3nc(C)nn3c2[O-])c2cccc(OC)c2)CC1 ZINC000004101163 562941880 /nfs/dbraw/zinc/94/18/80/562941880.db2.gz AIQAEWYTQGMVPB-INIZCTEOSA-N -1 0 431.518 2.677 50 0 IFAARM COc1ccc(-n2c(CNC(=O)c3cc(OC)c(OC)c(OC)c3)n[n-]c2=S)cc1 ZINC000006492480 562946896 /nfs/dbraw/zinc/94/68/96/562946896.db2.gz SSXUJGGPMYHJSK-UHFFFAOYSA-N -1 0 430.486 2.894 50 0 IFAARM Cc1ccc2oc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ncccn4)cc3)cc(=O)c2c1 ZINC000008606753 562957127 /nfs/dbraw/zinc/95/71/27/562957127.db2.gz WKSFJIKPALHLGR-UHFFFAOYSA-N -1 0 436.449 2.945 50 0 IFAARM O=S(=O)([N-]c1nc2ccccc2nc1NCCN1CCOCC1)c1cccc(Cl)c1 ZINC000009015687 562966579 /nfs/dbraw/zinc/96/65/79/562966579.db2.gz IFBJQDOMQYFLSA-UHFFFAOYSA-N -1 0 447.948 2.828 50 0 IFAARM C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccccn4)o3)cc2)C1 ZINC000009428044 562970450 /nfs/dbraw/zinc/97/04/50/562970450.db2.gz IAUJOTIAZTYUJO-AWEZNQCLSA-N -1 0 427.486 2.805 50 0 IFAARM Cc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cc(=O)[nH]c(=O)[nH]3)ccc2Cl)c(C)c1 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O=C(CSc1nc(-c2ccccc2)[n-]c1S(=O)(=O)c1ccccc1)N1CCOCC1 ZINC000011694973 557392883 /nfs/dbraw/zinc/39/28/83/557392883.db2.gz DXNHRBHFBHLIBO-UHFFFAOYSA-N -1 0 443.550 2.860 50 0 IFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(C)cc5)no4)c=3c2=O)cc1OC ZINC000101272276 557456266 /nfs/dbraw/zinc/45/62/66/557456266.db2.gz YHPPSWAMTMFCJY-RBUKOAKNSA-N -1 0 448.439 2.556 50 0 IFAARM O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1 ZINC000003001593 562931477 /nfs/dbraw/zinc/93/14/77/562931477.db2.gz UENUTIAERBDEAI-GYZZIOIESA-N -1 0 430.460 2.975 50 0 IFAARM COc1cc(OC)c([N-]S(=O)(=O)c2c(C)nc3sc(C)cn3c2=O)cc1Cl ZINC000008589410 562951205 /nfs/dbraw/zinc/95/12/05/562951205.db2.gz IVDCMRVERCCZBD-UHFFFAOYSA-N -1 0 429.907 2.844 50 0 IFAARM C[C@H](CCS(=O)(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]21C ZINC000253534390 568642992 /nfs/dbraw/zinc/64/29/92/568642992.db2.gz IFQRFKVUXUJKEV-LLEZRFBJSA-N -1 0 444.634 2.862 50 0 IFAARM CCOc1nc(NC(=O)[N-]S(=O)(=O)Oc2ccccc2F)nc(-c2ccccc2)n1 ZINC000003624517 568751723 /nfs/dbraw/zinc/75/17/23/568751723.db2.gz SMLVJOSITSIMKU-UHFFFAOYSA-N -1 0 433.421 2.522 50 0 IFAARM C[C@@H](CC(=O)OCC(=O)Nc1ccc(F)cc1)CC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000015826610 568840793 /nfs/dbraw/zinc/84/07/93/568840793.db2.gz WVBSJPOSCGAPOM-CYBMUJFWSA-N -1 0 433.461 2.746 50 0 IFAARM CC(C)CNC(=O)CN1CCN(c2ccc(NC(=O)c3ccccc3)c(C(=O)[O-])c2)CC1 ZINC000064590102 568935184 /nfs/dbraw/zinc/93/51/84/568935184.db2.gz AIPPCNLPEPMGAD-UHFFFAOYSA-N -1 0 438.528 2.531 50 0 IFAARM CCCCc1nc2ccccc2c(=O)n1NC(=O)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000100621343 568936420 /nfs/dbraw/zinc/93/64/20/568936420.db2.gz XNADVQOUEDFBQY-UHFFFAOYSA-N -1 0 430.464 2.700 50 0 IFAARM CC(=O)N1CC[NH+]([C@H](C(=O)[O-])c2c3ccccc3n(Cc3ccccc3)c2C(=O)[O-])CC1 ZINC000036358788 569085207 /nfs/dbraw/zinc/08/52/07/569085207.db2.gz QFPBDRXGTZBFNT-NRFANRHFSA-N -1 0 435.480 2.678 50 0 IFAARM COc1ccc2c(c1)c([C@@H](C(=O)[O-])[NH+]1CCN(Cc3ccccc3)CC1)cn2CC(=O)[O-] ZINC000036359346 569085627 /nfs/dbraw/zinc/08/56/27/569085627.db2.gz HGLBIXLLACTKGP-QHCPKHFHSA-N -1 0 437.496 2.678 50 0 IFAARM CC(=O)N1CC[NH+]([C@H](C(=O)[O-])c2cn(Cc3ccccc3)c3cc(C(=O)[O-])ccc23)CC1 ZINC000036359551 569086382 /nfs/dbraw/zinc/08/63/82/569086382.db2.gz RZSGUXZVYIQPQS-QFIPXVFZSA-N -1 0 435.480 2.678 50 0 IFAARM O=C([O-])CCn1cc([C@H](C(=O)[O-])[NH+]2CCN(Cc3ccncc3)CC2)c2ccc(F)cc21 ZINC000036365264 569086814 /nfs/dbraw/zinc/08/68/14/569086814.db2.gz GVXBVCLUIATPPJ-JOCHJYFZSA-N -1 0 440.475 2.594 50 0 IFAARM CCc1cccc([N-]S(=O)(=O)c2cc(-c3noc(C(=O)N4CCOCC4)n3)cs2)c1 ZINC000065097561 569103797 /nfs/dbraw/zinc/10/37/97/569103797.db2.gz XOQDVTPDXRLADA-UHFFFAOYSA-N -1 0 448.526 2.634 50 0 IFAARM COc1ccccc1[N-]S(=O)(=O)c1cc(-c2noc(C(=O)N3CCCC3)n2)cs1 ZINC000065097474 569103800 /nfs/dbraw/zinc/10/38/00/569103800.db2.gz AIYLOEGOLJQMEH-UHFFFAOYSA-N -1 0 434.499 2.844 50 0 IFAARM COc1ccc(S(=O)(=O)[N-]c2nc3ccc(C(=O)N[C@@H](CO)C(C)C)cc3s2)cc1 ZINC000036576149 569118481 /nfs/dbraw/zinc/11/84/81/569118481.db2.gz OSJPHXBPLVHJEK-KRWDZBQOSA-N -1 0 449.554 2.852 50 0 IFAARM O=S(=O)([N-]c1nccn1-c1ccccc1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000170617367 569147176 /nfs/dbraw/zinc/14/71/76/569147176.db2.gz ODOQUZJAXMAQFV-UHFFFAOYSA-N -1 0 431.417 2.967 50 0 IFAARM COc1ccc(-c2nn3c(nc2=O)-c2cc(Cl)ccc2N2C(=O)CC[C@]23C(=O)[O-])cc1 ZINC000170620152 569147741 /nfs/dbraw/zinc/14/77/41/569147741.db2.gz BWJTXOORQRHYRM-NRFANRHFSA-N -1 0 438.827 2.512 50 0 IFAARM CCCCNS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1 ZINC000009955260 569151190 /nfs/dbraw/zinc/15/11/90/569151190.db2.gz UCVMWRXBMJRKCZ-UHFFFAOYSA-N -1 0 440.543 2.583 50 0 IFAARM COc1ccc2c(c1OC)C(=O)O[C@H]2c1c([O-])[nH]c(=S)n(-c2ccccc2OC)c1=O ZINC000002144842 569186844 /nfs/dbraw/zinc/18/68/44/569186844.db2.gz UJSCLCJAACODOQ-MRXNPFEDSA-N -1 0 442.449 2.886 50 0 IFAARM CCOC(=O)c1[nH]c2ccc(OC)cc2c1[N-]S(=O)(=O)c1ccccc1C(=O)OC ZINC000002221576 569204583 /nfs/dbraw/zinc/20/45/83/569204583.db2.gz NVQOFBWOEPCTHU-UHFFFAOYSA-N -1 0 432.454 2.941 50 0 IFAARM O=C([O-])C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)c1ccccc1 ZINC000095393142 569363455 /nfs/dbraw/zinc/36/34/55/569363455.db2.gz ROVOQRFJHVRDBA-UXHICEINSA-N -1 0 430.526 2.561 50 0 IFAARM COc1cc(CNC(=O)c2occc2CS(=O)(=O)c2ccccc2)ccc1C(=O)[O-] ZINC000095435571 569366389 /nfs/dbraw/zinc/36/63/89/569366389.db2.gz LSFNJVMCNMCXJX-UHFFFAOYSA-N -1 0 429.450 2.890 50 0 IFAARM COc1ccc(CNC(=O)c2c[nH]nc2[N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000095466371 569370903 /nfs/dbraw/zinc/37/09/03/569370903.db2.gz DLDOGQVKDLFHMX-UHFFFAOYSA-N -1 0 438.868 2.942 50 0 IFAARM O=C([O-])C1(NC(=O)c2cn(-c3ccc(Br)cc3)cn2)Cc2ccccc2C1 ZINC000095989427 569378234 /nfs/dbraw/zinc/37/82/34/569378234.db2.gz FRAREYJYUTWDKU-UHFFFAOYSA-N -1 0 426.270 2.987 50 0 IFAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(Cl)c4)c(=O)c2=3)cc1F ZINC000096319796 569393949 /nfs/dbraw/zinc/39/39/49/569393949.db2.gz RCHYYIOWBPJQSH-DLBZAZTESA-N -1 0 433.802 2.859 50 0 IFAARM COC(=O)c1ccc(NC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1 ZINC000096361121 569397588 /nfs/dbraw/zinc/39/75/88/569397588.db2.gz QJPDAYBLWWGKPJ-UHFFFAOYSA-N -1 0 428.470 2.866 50 0 IFAARM COc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)NCc2ccc(F)cc2Cl)cc1 ZINC000096361272 569397750 /nfs/dbraw/zinc/39/77/50/569397750.db2.gz JPYYLIZBSYSSMD-UHFFFAOYSA-N -1 0 438.868 2.942 50 0 IFAARM O=C(c1snc2c1nc([O-])n(C1CC1)c2=O)N1CCN(c2ccccc2Cl)CC1 ZINC000096396713 569399229 /nfs/dbraw/zinc/39/92/29/569399229.db2.gz ZGNWSLRJKWFJJX-UHFFFAOYSA-N -1 0 431.905 2.509 50 0 IFAARM CC(C)[C@H](NC(=O)/C(=C\c1ccco1)NC(=O)c1ccc(Br)o1)C(=O)[O-] ZINC000096593968 569402005 /nfs/dbraw/zinc/40/20/05/569402005.db2.gz KDCZJTGZJYAWRL-ZHZWZMEUSA-N -1 0 425.235 2.631 50 0 IFAARM CC(=O)NCCNC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000003450480 569451596 /nfs/dbraw/zinc/45/15/96/569451596.db2.gz GWYJZFKWIOSFPF-UHFFFAOYSA-N -1 0 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COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N[C@H](CCSC)C(=O)[O-])cc1 ZINC000009043685 568927585 /nfs/dbraw/zinc/92/75/85/568927585.db2.gz GRNDOVALYPVDSF-XWALVKJWSA-N -1 0 428.510 2.789 50 0 IFAARM CC(C)C(=O)Nc1ccc(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1C(=O)[O-] ZINC000064589719 568935038 /nfs/dbraw/zinc/93/50/38/568935038.db2.gz WPNPNSUFDYHFBM-UHFFFAOYSA-N -1 0 442.491 2.879 50 0 IFAARM CCCNC(=O)CN1CCN(c2ccc(NC(=O)c3ccccc3C)c(C(=O)[O-])c2)CC1 ZINC000064589597 568935080 /nfs/dbraw/zinc/93/50/80/568935080.db2.gz KWSLTYUMDUAVFV-UHFFFAOYSA-N -1 0 438.528 2.594 50 0 IFAARM CCCOC(=O)Cn1c2ccc(S(=O)(=O)[N-]c3ccccc3OCC)cc2oc1=O ZINC000064818894 568965691 /nfs/dbraw/zinc/96/56/91/568965691.db2.gz IOYLNFLOVFIXHD-UHFFFAOYSA-N -1 0 434.470 2.747 50 0 IFAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)oc(=O)n2Cc1noc(C)n1 ZINC000064946861 568993878 /nfs/dbraw/zinc/99/38/78/568993878.db2.gz IGXMQYWRXLBTNX-UHFFFAOYSA-N -1 0 430.442 2.534 50 0 IFAARM CCn1cc(C)c(C(=O)[O-])c1CC(=O)NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000064983728 569081859 /nfs/dbraw/zinc/08/18/59/569081859.db2.gz FCRIAGGHLVDZLA-UHFFFAOYSA-N -1 0 432.952 2.649 50 0 IFAARM O=C([O-])Cn1cc([C@@H](C(=O)[O-])[N@@H+]2CCCN(c3ncccn3)CC2)c2ccc(Cl)cc21 ZINC000036357055 569084447 /nfs/dbraw/zinc/08/44/47/569084447.db2.gz LYYTUSHVHODBNK-IBGZPJMESA-N -1 0 443.891 2.507 50 0 IFAARM COc1ccc2c(c1)c([C@H](C(=O)[O-])[NH+]1CCN(Cc3ccccc3)CC1)cn2CC(=O)[O-] ZINC000036359347 569085687 /nfs/dbraw/zinc/08/56/87/569085687.db2.gz HGLBIXLLACTKGP-HSZRJFAPSA-N -1 0 437.496 2.678 50 0 IFAARM O=C([O-])Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN(Cc3ccccn3)CC2)c2ccc(Cl)cc21 ZINC000036359669 569086421 /nfs/dbraw/zinc/08/64/21/569086421.db2.gz PEGGANTZDLMCCM-NRFANRHFSA-N -1 0 442.903 2.718 50 0 IFAARM O=C([O-])CCn1cc([C@@H](C(=O)[O-])[NH+]2CCN(Cc3ccncc3)CC2)c2ccc(F)cc21 ZINC000036365262 569086843 /nfs/dbraw/zinc/08/68/43/569086843.db2.gz GVXBVCLUIATPPJ-QFIPXVFZSA-N -1 0 440.475 2.594 50 0 IFAARM O=C([O-])Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN(c3ccc(F)cc3)CC2)c2ccc(F)cc21 ZINC000036367058 569087081 /nfs/dbraw/zinc/08/70/81/569087081.db2.gz ZELPDPXVKQGBBM-NRFANRHFSA-N -1 0 429.423 2.952 50 0 IFAARM COc1ccc(C(=O)N2CCc3nc4cc(-c5ccccc5Cl)[n-]n4c(=O)c3C2)cn1 ZINC000065260881 569124132 /nfs/dbraw/zinc/12/41/32/569124132.db2.gz GAHVZUWVTYHWMR-UHFFFAOYSA-N -1 0 435.871 2.945 50 0 IFAARM Cc1ccc(-c2noc(C(=O)N3CCCCC3)n2)cc1S(=O)(=O)[N-]c1ccccn1 ZINC000065318979 569134651 /nfs/dbraw/zinc/13/46/51/569134651.db2.gz WAKXAZJTODUPMP-UHFFFAOYSA-N -1 0 427.486 2.867 50 0 IFAARM O=S(=O)(c1cc(F)ccc1NCCN1c2ccccc2[N-]S1(=O)=O)C(F)(F)F ZINC000170601934 569143133 /nfs/dbraw/zinc/14/31/33/569143133.db2.gz HRDDBFHPCJZFCZ-UHFFFAOYSA-N -1 0 439.412 2.708 50 0 IFAARM COc1cc(Br)c(S(=O)(=O)[N-]C(=O)CC(C)(C)CC(C)=O)cc1OC ZINC000170609445 569144804 /nfs/dbraw/zinc/14/48/04/569144804.db2.gz KCMHZTNFUXJACM-UHFFFAOYSA-N -1 0 436.324 2.667 50 0 IFAARM CCCCOCCOCCOCCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCCC1 ZINC000170617725 569146837 /nfs/dbraw/zinc/14/68/37/569146837.db2.gz YIQIUDKXNRVGEF-UHFFFAOYSA-N -1 0 442.578 2.514 50 0 IFAARM CS(=O)(=O)Nc1ccccc1C1=NN(C(=O)CCC(=O)[O-])[C@H](c2cccc(F)c2)C1 ZINC000170618434 569147005 /nfs/dbraw/zinc/14/70/05/569147005.db2.gz BUKGGYKFJXZFBF-SFHVURJKSA-N -1 0 433.461 2.740 50 0 IFAARM O=C1N[C@H](c2ccc(Br)cc2)C(=C([O-])c2cccnc2)[C@](O)(C(F)(F)F)N1 ZINC000170620739 569147854 /nfs/dbraw/zinc/14/78/54/569147854.db2.gz BODOZRWTHTUGOG-ZENOOKHLSA-N -1 0 444.207 2.948 50 0 IFAARM C/C(=C\C(=O)Nc1ccc(SCC(=O)NCc2ccc3c(c2)OCO3)cc1)C(=O)[O-] ZINC000013579129 569156201 /nfs/dbraw/zinc/15/62/01/569156201.db2.gz GWSINNFDYUHOCN-MDWZMJQESA-N -1 0 428.466 2.793 50 0 IFAARM Cc1c2ccc(O)cc2oc(=O)c1CC(=O)N[C@@H](CSCc1ccccc1)C(=O)[O-] ZINC000002098884 569179425 /nfs/dbraw/zinc/17/94/25/569179425.db2.gz JNKHFKXZZWKRHX-SFHVURJKSA-N -1 0 427.478 2.852 50 0 IFAARM C[C@](Cc1ccccc1)(NC(=O)COc1ccc(I)cc1)C(=O)[O-] ZINC000170671891 569194664 /nfs/dbraw/zinc/19/46/64/569194664.db2.gz AHKFJEAKVXSPAP-GOSISDBHSA-N -1 0 439.249 2.872 50 0 IFAARM 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ZINC000101167064 557258390 /nfs/dbraw/zinc/25/83/90/557258390.db2.gz ODWOKVLCQOARLV-SJORKVTESA-N -1 0 445.273 2.960 50 0 IFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(C)c4C)c=3c2=O)cc1Cl ZINC000101168878 557258915 /nfs/dbraw/zinc/25/89/15/557258915.db2.gz MEBIIUQNHNSIKG-OALUTQOASA-N -1 0 441.875 2.897 50 0 IFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cc(C)ccc4C)c=3c2=O)cc1Cl ZINC000101168861 557258969 /nfs/dbraw/zinc/25/89/69/557258969.db2.gz RODLKIMCNVZDPM-RBUKOAKNSA-N -1 0 441.875 2.897 50 0 IFAARM CCOc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(Cl)c4)c(=O)c2=3)cc1 ZINC000101169728 557259422 /nfs/dbraw/zinc/25/94/22/557259422.db2.gz QULHZFYIYZOCNT-ROUUACIJSA-N -1 0 445.838 2.810 50 0 IFAARM CCOc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(Cl)c4)c(=O)c2=3)cc1 ZINC000101169732 557259440 /nfs/dbraw/zinc/25/94/40/557259440.db2.gz QULHZFYIYZOCNT-MSOLQXFVSA-N -1 0 445.838 2.810 50 0 IFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C)cc4C)c=3c2=O)cc1Cl ZINC000101170629 557259996 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438.307 2.932 50 0 IFAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc4c(c3)OCO4)cc2)n1 ZINC000002316175 555767889 /nfs/dbraw/zinc/76/78/89/555767889.db2.gz MBVZGBJUMBTBFZ-YCRREMRBSA-N -1 0 438.465 2.966 50 0 IFAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)C=Cc3ccco3)cc2)no1 ZINC000002551773 555787262 /nfs/dbraw/zinc/78/72/62/555787262.db2.gz LSRRKNHVSTXMMN-RMKNXTFCSA-N -1 0 432.483 2.903 50 0 IFAARM O=C([O-])C1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1 ZINC000003369822 555927845 /nfs/dbraw/zinc/92/78/45/555927845.db2.gz RQXUXJDNTNDETQ-UHFFFAOYSA-N -1 0 427.114 2.697 50 0 IFAARM COc1ccccc1OCc1nnc(SCC(=O)Nc2cccc(C(=O)[O-])c2)n1C ZINC000009261483 556269195 /nfs/dbraw/zinc/26/91/95/556269195.db2.gz HGNLVOJVBGEZFV-UHFFFAOYSA-N -1 0 428.470 2.832 50 0 IFAARM CCOC(=O)COc1ccc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc1Br ZINC000009324352 556282051 /nfs/dbraw/zinc/28/20/51/556282051.db2.gz UNUURQRNISYYSW-WUXMJOGZSA-N -1 0 444.259 2.512 50 0 IFAARM CCN(CC)S(=O)(=O)c1ccc(OC)c([N-]S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000009553995 556297964 /nfs/dbraw/zinc/29/79/64/556297964.db2.gz FLIPXFOXQBFMIY-UHFFFAOYSA-N -1 0 428.532 2.535 50 0 IFAARM COc1ccc(C(=O)CSc2nc([O-])c(NC(C)=O)c(=O)n2-c2ccccc2)cc1 ZINC000010060475 556324689 /nfs/dbraw/zinc/32/46/89/556324689.db2.gz WOUFNQAMOPIWDJ-UHFFFAOYSA-N -1 0 425.466 2.880 50 0 IFAARM COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)Cn2[n-]c(=O)ccc2=O)cc1C ZINC000011935050 556377940 /nfs/dbraw/zinc/37/79/40/556377940.db2.gz ZDUVAAKDBIWBAG-VWLOTQADSA-N -1 0 444.491 2.922 50 0 IFAARM COC(=O)c1[nH]c2cc(OC)ccc2c1[N-]S(=O)(=O)c1ccc2[nH]c(=O)sc2c1 ZINC000012371440 556403615 /nfs/dbraw/zinc/40/36/15/556403615.db2.gz HFMKUPZLJOCZKP-UHFFFAOYSA-N -1 0 433.467 2.667 50 0 IFAARM O=C([O-])c1ccc(CNC(=O)CCCCCNS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000012941179 556416823 /nfs/dbraw/zinc/41/68/23/556416823.db2.gz DELSIYKUKBXNRF-UHFFFAOYSA-N -1 0 440.468 2.818 50 0 IFAARM COc1cc2c(cc1[N-]S(=O)(=O)c1ccc(Br)cc1C)n(C)c(=O)n2C ZINC000028049103 556443000 /nfs/dbraw/zinc/44/30/00/556443000.db2.gz 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O=C1NC(=S)NC1=Cc1cc(Br)c([O-])c(I)c1 ZINC000015723653 556545714 /nfs/dbraw/zinc/54/57/14/556545714.db2.gz BSPHXAUMDMRPET-CLTKARDFSA-N -1 0 425.045 2.516 50 0 IFAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccco1 ZINC000015746237 556548203 /nfs/dbraw/zinc/54/82/03/556548203.db2.gz VELFLYBNDMTWJG-WQJNHMDYSA-N -1 0 448.431 2.591 50 0 IFAARM CSc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)c1 ZINC000100707250 556655609 /nfs/dbraw/zinc/65/56/09/556655609.db2.gz NLBSLEPPARVKET-IAGOWNOFSA-N -1 0 429.889 2.994 50 0 IFAARM CCc1ccc(S(=O)(=O)[N-]c2cc(-c3ccco3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000011795890 556656960 /nfs/dbraw/zinc/65/69/60/556656960.db2.gz BYHTXRONQWPJSL-OAHLLOKOSA-N -1 0 435.527 2.866 50 0 IFAARM COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)[N-]c1ccc(C(C)C)cc1 ZINC000011858333 556663839 /nfs/dbraw/zinc/66/38/39/556663839.db2.gz IBSSYEVDROWOQJ-UHFFFAOYSA-N -1 0 438.527 2.686 50 0 IFAARM CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])CC2)cc1 ZINC000017100624 556665465 /nfs/dbraw/zinc/66/54/65/556665465.db2.gz ZVSUWYAOTPHDHM-DBVUQKKJSA-N -1 0 436.574 2.924 50 0 IFAARM CSCC[C@H](NC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1)C(=O)[O-] ZINC000005220416 556742186 /nfs/dbraw/zinc/74/21/86/556742186.db2.gz CSSWRNDDVNXJLD-KTZOAPACSA-N -1 0 442.493 2.509 50 0 IFAARM CCOC(=O)c1sc2ncc(S(=O)(=O)[N-]c3ccc(C(=O)NC)cc3)cc2c1C ZINC000058245618 556775318 /nfs/dbraw/zinc/77/53/18/556775318.db2.gz YQCBOCIXYKUBKL-UHFFFAOYSA-N -1 0 433.511 2.942 50 0 IFAARM COCCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000060060259 556806111 /nfs/dbraw/zinc/80/61/11/556806111.db2.gz YSXFYZPZYDCPSE-UHFFFAOYSA-N -1 0 443.407 2.507 50 0 IFAARM Cc1oc(-c2n[nH]cc2C(=O)N2CCOCC2)cc1S(=O)(=O)[N-]c1ccc(C)c(F)c1 ZINC000097940920 556810942 /nfs/dbraw/zinc/81/09/42/556810942.db2.gz FPORXUHMIGLOAE-UHFFFAOYSA-N -1 0 448.476 2.699 50 0 IFAARM CCOC(=O)C1CCN(c2ccc(C(=O)[O-])cc2NS(=O)(=O)c2ccccc2)CC1 ZINC000033253937 556894356 /nfs/dbraw/zinc/89/43/56/556894356.db2.gz QIAYRRKUOOFKIS-UHFFFAOYSA-N -1 0 432.498 2.965 50 0 IFAARM Cc1ccccc1-c1nc(C[N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)no1 ZINC000097163907 556994253 /nfs/dbraw/zinc/99/42/53/556994253.db2.gz QNVNHXBNFPKFMQ-UHFFFAOYSA-N -1 0 441.918 2.580 50 0 IFAARM Cc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCN(CC(=O)NC(C)C)CC2)cc1 ZINC000032946605 557033063 /nfs/dbraw/zinc/03/30/63/557033063.db2.gz HOFLWSKJXLPNGV-UHFFFAOYSA-N -1 0 438.528 2.592 50 0 IFAARM O=C(OCc1cc(=O)n2ccsc2n1)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000010923059 557111042 /nfs/dbraw/zinc/11/10/42/557111042.db2.gz DSWHGGAFYXXXCE-UHFFFAOYSA-N -1 0 447.519 2.975 50 0 IFAARM CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)[O-] ZINC000585662427 557156682 /nfs/dbraw/zinc/15/66/82/557156682.db2.gz ZWGBFLJEPBJLOD-IRXDYDNUSA-N -1 0 436.505 2.629 50 0 IFAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2cnn(C)c2)ccc1C ZINC000025047882 557190694 /nfs/dbraw/zinc/19/06/94/557190694.db2.gz GSESIVMRCDKNJU-UHFFFAOYSA-N -1 0 428.514 2.810 50 0 IFAARM COc1ccc(-c2cc([N-]S(=O)(=O)c3ccccc3)n([C@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000011795869 557236012 /nfs/dbraw/zinc/23/60/12/557236012.db2.gz JKEOISLHQHEOQF-INIZCTEOSA-N -1 0 447.538 2.719 50 0 IFAARM COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)cc4)c(=O)c2=3)cc1Cl ZINC000100033037 557238067 /nfs/dbraw/zinc/23/80/67/557238067.db2.gz SFHMKYVPEYZSNF-ROUUACIJSA-N -1 0 427.848 2.589 50 0 IFAARM CCOc1ccc(N2C(=O)C[C@@H](N(CCc3ccccc3)C(=O)CCC(=O)[O-])C2=O)cc1 ZINC000100069118 557239485 /nfs/dbraw/zinc/23/94/85/557239485.db2.gz IRRMAWSNUHVWQN-HXUWFJFHSA-N -1 0 438.480 2.653 50 0 IFAARM CCOC(=O)c1[n-]n(-c2ccccc2OC)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000101165378 557257755 /nfs/dbraw/zinc/25/77/55/557257755.db2.gz OCTOPBDGAYMASL-MJGOQNOKSA-N -1 0 441.871 2.954 50 0 IFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(Cl)cc4Cl)c=3c2=O)cc1 ZINC000101165959 557257769 /nfs/dbraw/zinc/25/77/69/557257769.db2.gz SNRIGVKPWHHTOH-DLBZAZTESA-N -1 0 448.266 2.934 50 0 IFAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(F)c(Cl)c4)c=3c2=O)cc1 ZINC000101166648 557258325 /nfs/dbraw/zinc/25/83/25/557258325.db2.gz XUUXEKPOFNZUBQ-MSOLQXFVSA-N -1 0 429.839 2.973 50 0 IFAARM CCc1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(OC)c(Cl)c3)c(=O)c1=2 ZINC000101168965 557258937 /nfs/dbraw/zinc/25/89/37/557258937.db2.gz YPQAKBDAVJYAFS-MOPGFXCFSA-N -1 0 441.875 2.843 50 0 IFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C)cc4C)c=3c2=O)cc1Cl ZINC000101170620 557260002 /nfs/dbraw/zinc/26/00/02/557260002.db2.gz OFCXBSSECDPKIU-RBUKOAKNSA-N -1 0 441.875 2.897 50 0 IFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc6c(c5)OCO6)no4)c=3c2=O)cc1C ZINC000101277567 557266359 /nfs/dbraw/zinc/26/63/59/557266359.db2.gz YWTYAKGXNIBBRR-RTBURBONSA-N -1 0 446.423 2.576 50 0 IFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(C)cc5)no4)c=3c2=O)cc1OC ZINC000101272278 557269039 /nfs/dbraw/zinc/26/90/39/557269039.db2.gz YHPPSWAMTMFCJY-OALUTQOASA-N -1 0 448.439 2.556 50 0 IFAARM COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)cc1Cl ZINC000101387286 557282226 /nfs/dbraw/zinc/28/22/26/557282226.db2.gz BTZKWAAEEVMIAT-IAGOWNOFSA-N -1 0 448.266 2.934 50 0 IFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4c(C)cccc4C)c=3c2=O)cc1Cl ZINC000101388467 557282608 /nfs/dbraw/zinc/28/26/08/557282608.db2.gz AOXKPYXFNMLOKX-MOPGFXCFSA-N -1 0 441.875 2.897 50 0 IFAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)c(Cl)c1 ZINC000101389101 557282705 /nfs/dbraw/zinc/28/27/05/557282705.db2.gz WOKMULVKYFUXJI-SJORKVTESA-N -1 0 433.802 2.859 50 0 IFAARM CC(=O)N1N=C(c2c(=O)[nH]c(=O)n(Cc3ccccc3)c2[O-])C[C@H]1c1ccc(Cl)cc1 ZINC000101456065 557286828 /nfs/dbraw/zinc/28/68/28/557286828.db2.gz VSOAPFPFWGPVSK-SFHVURJKSA-N -1 0 438.871 2.642 50 0 IFAARM CCOc1ccccc1[C@@H]1CC(c2c(=O)[nH]c(=O)n(C3CCCCC3)c2[O-])=NN1C(C)=O ZINC000101456846 557287546 /nfs/dbraw/zinc/28/75/46/557287546.db2.gz MWMUMGJCOFYPPK-SFHVURJKSA-N -1 0 440.500 2.844 50 0 IFAARM CCC(=O)N1N=C(c2c(=O)[nH]c(=O)n(C3CCCCC3)c2[O-])C[C@@H]1c1ccccc1OC ZINC000101765033 557295340 /nfs/dbraw/zinc/29/53/40/557295340.db2.gz IYUUSPZDZCXAFM-QGZVFWFLSA-N -1 0 440.500 2.844 50 0 IFAARM COc1cc([C@@H]2CC(c3c(=O)[nH]c(=O)n(C)c3[O-])=Nc3ccccc3S2)ccc1O ZINC000101767225 557295845 /nfs/dbraw/zinc/29/58/45/557295845.db2.gz SEACUPHVHKMUOI-KRWDZBQOSA-N -1 0 425.466 2.851 50 0 IFAARM Cn1c([O-])c(C2=Nc3ccccc3S[C@H](c3ccc4c(c3)OCO4)C2)c(=O)n(C)c1=O ZINC000101766343 557295864 /nfs/dbraw/zinc/29/58/64/557295864.db2.gz BOJKEPPKVGVBTJ-SFHVURJKSA-N -1 0 437.477 2.876 50 0 IFAARM CCOc1ccc([C@@H]2CC(c3c([O-])[nH]c(=O)n(-c4ccccc4C)c3=O)=NN2C(C)=O)cc1 ZINC000101764261 557297967 /nfs/dbraw/zinc/29/79/67/557297967.db2.gz DYEDJLVMBMWHKF-FQEVSTJZSA-N -1 0 448.479 2.636 50 0 IFAARM CCOc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(C)cc5)no4)c=3c2=O)cc1 ZINC000101892680 557305886 /nfs/dbraw/zinc/30/58/86/557305886.db2.gz NEFFHRLOELUMAX-MOPGFXCFSA-N -1 0 432.440 2.937 50 0 IFAARM CCOc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5C)no4)c=3c2=O)cc1 ZINC000101892666 557305991 /nfs/dbraw/zinc/30/59/91/557305991.db2.gz RAQZNTBLWZQURI-MOPGFXCFSA-N -1 0 432.440 2.937 50 0 IFAARM COc1cccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5cccc(Cl)c5)no4)c=3c2=O)c1 ZINC000101893318 557306093 /nfs/dbraw/zinc/30/60/93/557306093.db2.gz RAAMLTCTXHCVHP-SJORKVTESA-N -1 0 438.831 2.892 50 0 IFAARM O=C([O-])C=CC(=O)N(CCc1ccccc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000101964634 557306373 /nfs/dbraw/zinc/30/63/73/557306373.db2.gz NUFHZMLAVMQAAW-LENZSSGSSA-N -1 0 426.856 2.684 50 0 IFAARM COC(=O)C[C@@H](c1ccc(O)c(OC)c1)c1c(=O)nc2ccc(Br)cn2c1[O-] ZINC000205960752 557396008 /nfs/dbraw/zinc/39/60/08/557396008.db2.gz FLPMSRWOUSMVMP-LBPRGKRZSA-N -1 0 449.257 2.572 50 0 IFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Br)cc3)c(=O)c1=2)Nc1cccc(F)c1 ZINC000101165667 557455553 /nfs/dbraw/zinc/45/55/53/557455553.db2.gz KHQIXFQIWBPOND-JKSUJKDBSA-N -1 0 446.236 2.520 50 0 IFAARM Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(Br)cc4)c(=O)c2=3)cc1 ZINC000101166519 557455620 /nfs/dbraw/zinc/45/56/20/557455620.db2.gz XQPTWDUEAMYXSE-IAGOWNOFSA-N -1 0 442.273 2.689 50 0 IFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(C)c(C)c5)no4)c=3c2=O)cc1 ZINC000101277636 557456135 /nfs/dbraw/zinc/45/61/35/557456135.db2.gz QXEPDMVRVKQQJS-RTBURBONSA-N -1 0 432.440 2.855 50 0 IFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5cccc(C)c5)no4)c=3c2=O)cc1OC ZINC000101271724 557456154 /nfs/dbraw/zinc/45/61/54/557456154.db2.gz AXOPBPFEGRIBNL-OALUTQOASA-N -1 0 448.439 2.556 50 0 IFAARM CCOc1ccc(N(Cc2nn3c([n-]2)nc(C)cc3=O)S(=O)(=O)c2ccccc2)cc1 ZINC000101583458 557456660 /nfs/dbraw/zinc/45/66/60/557456660.db2.gz PUTKKODWLBDDEA-UHFFFAOYSA-N -1 0 439.497 2.520 50 0 IFAARM Cc1ccc(S(=O)(=O)N(Cc2nn3c([n-]2)nc(C)cc3=O)c2ccc(F)cc2)cc1 ZINC000101582472 557456771 /nfs/dbraw/zinc/45/67/71/557456771.db2.gz WLNFVMVESAHSCS-UHFFFAOYSA-N -1 0 427.461 2.569 50 0 IFAARM CCOC(=O)CSc1nc2[nH]c3c(c(=O)c2c(=O)n1-c1ccccc1)COC(C)(C)C3 ZINC000106799175 557532647 /nfs/dbraw/zinc/53/26/47/557532647.db2.gz SJPWUCXWNLWUFH-UHFFFAOYSA-N -1 0 441.509 2.993 50 0 IFAARM CCOC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(OC)cc3)c(C(=O)[O-])c2)CC1 ZINC000045967832 557557588 /nfs/dbraw/zinc/55/75/88/557557588.db2.gz YLXFFXPZMVTNFP-UHFFFAOYSA-N -1 0 441.484 2.853 50 0 IFAARM NC(=O)c1cc(NS(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)ccc1Cl ZINC000028258698 557699621 /nfs/dbraw/zinc/69/96/21/557699621.db2.gz PVXBVBMVRALWPB-UHFFFAOYSA-N -1 0 433.667 2.700 50 0 IFAARM C[C@H](Oc1ccc2ccc(=O)oc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)[O-] ZINC000002129976 562925933 /nfs/dbraw/zinc/92/59/33/562925933.db2.gz HQVRAAHWGUMKGD-BUXKBTBVSA-N -1 0 436.420 2.559 50 0 IFAARM C[C@@H](Oc1ccc2ccc(=O)oc2c1)C(=O)N[C@H](Cc1c[nH]c2ccc(O)cc12)C(=O)[O-] ZINC000002129979 562925947 /nfs/dbraw/zinc/92/59/47/562925947.db2.gz HQVRAAHWGUMKGD-CWTRNNRKSA-N -1 0 436.420 2.559 50 0 IFAARM COc1ccccc1CNC(=O)c1ccc2c(c1)[n-]c(=S)n(C[C@H]1CCCO1)c2=O ZINC000003631955 562937006 /nfs/dbraw/zinc/93/70/06/562937006.db2.gz MZWYQSDLUDIBNG-MRXNPFEDSA-N -1 0 425.510 2.803 50 0 IFAARM C[C@H](NC(=O)c1cc2cc(Cl)ccc2n1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000008792027 562964248 /nfs/dbraw/zinc/96/42/48/562964248.db2.gz SPJPWVUCMREPHV-GUYCJALGSA-N -1 0 427.888 2.762 50 0 IFAARM CC(C)[C@H](NC(=O)N1c2ccccc2NC(=O)[C@@H]1C(C)C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000008877464 562965696 /nfs/dbraw/zinc/96/56/96/562965696.db2.gz XFDZFGZZWQEHKR-OALUTQOASA-N -1 0 444.532 2.527 50 0 IFAARM CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccccn4)o3)cc2)CC1 ZINC000009428040 562970481 /nfs/dbraw/zinc/97/04/81/562970481.db2.gz HWWASTCPVFESFO-UHFFFAOYSA-N -1 0 427.486 2.805 50 0 IFAARM Cn1c(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC(=O)[O-])cc2cc(Cl)ccc21 ZINC000009447521 562971289 /nfs/dbraw/zinc/97/12/89/562971289.db2.gz MCAPFOMYJOMGLZ-KRWDZBQOSA-N -1 0 427.888 2.764 50 0 IFAARM CC(=O)N1C[C@H](C)Oc2ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])c3ccccc3C)cc21 ZINC000015935084 563018497 /nfs/dbraw/zinc/01/84/97/563018497.db2.gz JFSIOUSHUYGJQR-KSSFIOAISA-N -1 0 432.498 2.623 50 0 IFAARM COc1ccc(CCNC(=O)CCc2nnc(-c3ccc(F)cc3)[n-]c2=O)cc1OC ZINC000034767757 568737923 /nfs/dbraw/zinc/73/79/23/568737923.db2.gz AHNRJSWHGADSFC-UHFFFAOYSA-N -1 0 426.448 2.692 50 0 IFAARM Cc1cc2nc(COC(=O)c3ccccc3[N-]S(=O)(=O)c3ccccc3)cc(=O)n2o1 ZINC000015772364 568822880 /nfs/dbraw/zinc/82/28/80/568822880.db2.gz QFZVVCUYRWZVHB-UHFFFAOYSA-N -1 0 439.449 2.754 50 0 IFAARM COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(-c2ccc(N3CCOCC3)nn2)cc1 ZINC000015882168 568856863 /nfs/dbraw/zinc/85/68/63/568856863.db2.gz LFJXEJIBYUYHOR-UHFFFAOYSA-N -1 0 444.488 2.929 50 0 IFAARM CCc1[n-]n(-c2ccccc2)c(=O)c1C=C1NC(=O)N(CC(=O)OCc2ccccc2)C1=O ZINC000016534200 568920626 /nfs/dbraw/zinc/92/06/26/568920626.db2.gz ZIMLNNHFTLXQAY-MOSHPQCFSA-N -1 0 446.463 2.776 50 0 IFAARM COc1ccc(C(=O)N(Cc2nn3c([n-]2)nc(C)cc3=O)c2ccc(F)cc2)cc1OC ZINC000064580106 568934271 /nfs/dbraw/zinc/93/42/71/568934271.db2.gz FOQREKFFUXBXNY-UHFFFAOYSA-N -1 0 437.431 2.729 50 0 IFAARM CCCCNC(=O)CN1CCN(c2ccc(NC(=O)c3ccccc3)c(C(=O)[O-])c2)CC1 ZINC000064590077 568935269 /nfs/dbraw/zinc/93/52/69/568935269.db2.gz RJRQVVCDBOERIB-UHFFFAOYSA-N -1 0 438.528 2.675 50 0 IFAARM CC(C)C[C@H](NC(=O)CCCCCNC(=O)N1CCn2c3ccccc3nc21)C(=O)[O-] ZINC000006624243 568941980 /nfs/dbraw/zinc/94/19/80/568941980.db2.gz VZVRRRQBKQFQOB-KRWDZBQOSA-N -1 0 429.521 2.742 50 0 IFAARM O=C(Nc1ccc(F)cc1F)c1nnc(C[N-]S(=O)(=O)c2cc(F)ccc2F)s1 ZINC000064991836 569084354 /nfs/dbraw/zinc/08/43/54/569084354.db2.gz YJHCSGWHARWGPC-UHFFFAOYSA-N -1 0 446.407 2.825 50 0 IFAARM O=C([O-])Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN(Cc3ccncc3)CC2)c2ccc(Cl)cc21 ZINC000036357905 569084911 /nfs/dbraw/zinc/08/49/11/569084911.db2.gz FXQLTBCAVMHWKJ-NRFANRHFSA-N -1 0 442.903 2.718 50 0 IFAARM O=C(c1ccc2nc([N-]S(=O)(=O)c3ccc(F)cc3)sc2c1)N1CCC[C@@H]1CO ZINC000036575223 569118453 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-1 0 439.540 2.892 50 0 IFAARM CCNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccc2[nH]c(C(C)(C)C)nc2c1 ZINC000170609265 569144787 /nfs/dbraw/zinc/14/47/87/569144787.db2.gz GMMJZFIIWBNHFJ-UHFFFAOYSA-N -1 0 436.559 2.959 50 0 IFAARM CC(=O)c1ccc(N2C(=O)C[C@@H](Sc3cccc(NC(=O)C=CC(=O)[O-])c3)C2=O)cc1 ZINC000013576325 569155890 /nfs/dbraw/zinc/15/58/90/569155890.db2.gz QIFBZVGJZKBMBL-QZEKMECESA-N -1 0 438.461 2.893 50 0 IFAARM Cc1ccc(S(=O)(=O)[N-]c2nc(CCC(=O)Nc3ccccc3C(N)=O)cs2)cc1 ZINC000016848679 569164370 /nfs/dbraw/zinc/16/43/70/569164370.db2.gz GXXKJKIHJWILMH-UHFFFAOYSA-N -1 0 444.538 2.923 50 0 IFAARM CSCC[C@H](NC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1)C(=O)[O-] ZINC000002099947 569179530 /nfs/dbraw/zinc/17/95/30/569179530.db2.gz CSSWRNDDVNXJLD-FDIDWWNZSA-N -1 0 442.493 2.509 50 0 IFAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cccnc1O[C@H]1CCOC1 ZINC000253402326 569264949 /nfs/dbraw/zinc/26/49/49/569264949.db2.gz OCWPWSKKTNLQMR-AWEZNQCLSA-N -1 0 446.510 2.759 50 0 IFAARM O=C(C[C@@H](c1ccc2c(c1)OCO2)c1c(=O)oc2ccccc2c1[O-])NCCc1c[nH]cn1 ZINC000253470545 569282445 /nfs/dbraw/zinc/28/24/45/569282445.db2.gz FNEOFTWREADZDZ-KRWDZBQOSA-N -1 0 447.447 2.831 50 0 IFAARM Cc1cc([O-])c([C@H](CC(=O)NCCc2ccc(O)cc2)c2ccc3c(c2)OCO3)c(=O)o1 ZINC000253471412 569282599 /nfs/dbraw/zinc/28/25/99/569282599.db2.gz RIVWUUMVMSMADG-GOSISDBHSA-N -1 0 437.448 2.969 50 0 IFAARM O=C([O-])CCCCCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000012945946 569305099 /nfs/dbraw/zinc/30/50/99/569305099.db2.gz RVZVDIDOBHYEHU-UHFFFAOYSA-N -1 0 436.574 2.727 50 0 IFAARM COc1cccc([C@@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(=O)CCC(=O)[O-])c1 ZINC000079112464 569326251 /nfs/dbraw/zinc/32/62/51/569326251.db2.gz QAZRUFLBXRPDMT-IBGZPJMESA-N -1 0 445.497 2.609 50 0 IFAARM CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H](CC(=O)[O-])c2cccs2)ccc1OC ZINC000095348434 569361563 /nfs/dbraw/zinc/36/15/63/569361563.db2.gz UNZFYVVWOVZROE-CQSZACIVSA-N -1 0 440.543 2.733 50 0 IFAARM 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446.257 2.656 50 0 IFAARM Cc1nn(Cn2ccc(C(=O)NCc3ccc(C(=O)[O-])cc3)n2)c(C)c1Br ZINC000027973695 569405001 /nfs/dbraw/zinc/40/50/01/569405001.db2.gz SLKUNGLPNUICHD-UHFFFAOYSA-N -1 0 432.278 2.593 50 0 IFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc(F)c3)c(=O)c1=2)Nc1ccc(Br)cc1 ZINC000002787180 569421459 /nfs/dbraw/zinc/42/14/59/569421459.db2.gz KTDATXQAWAQYOY-HZPDHXFCSA-N -1 0 446.236 2.520 50 0 IFAARM O=C(NC[C@H]1COc2ccccc2O1)c1ccc2c(c1)[n-]c(=S)n(Cc1ccco1)c2=O ZINC000002971624 569433451 /nfs/dbraw/zinc/43/34/51/569433451.db2.gz CMHDRUWMCKMBOC-INIZCTEOSA-N -1 0 449.488 2.896 50 0 IFAARM O=C(NC[C@@H]1COc2ccccc2O1)c1ccc2c(c1)[n-]c(=S)n(Cc1ccco1)c2=O ZINC000002971623 569433507 /nfs/dbraw/zinc/43/35/07/569433507.db2.gz CMHDRUWMCKMBOC-MRXNPFEDSA-N -1 0 449.488 2.896 50 0 IFAARM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1 ZINC000003424352 569450492 /nfs/dbraw/zinc/45/04/92/569450492.db2.gz NVZMZKGZJUNQJL-UHFFFAOYSA-N -1 0 434.495 2.762 50 0 IFAARM 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COc1ccc([C@@H](CC(=O)[O-])NC(=O)COc2ccc3ccc(=O)oc3c2)cc1OC ZINC000008878044 569481236 /nfs/dbraw/zinc/48/12/36/569481236.db2.gz UNWKPKROKKBYIF-MRXNPFEDSA-N -1 0 427.409 2.521 50 0 IFAARM O=C([O-])c1cc(Cl)ccc1OCC(=O)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000008878388 569481275 /nfs/dbraw/zinc/48/12/75/569481275.db2.gz JHSZVPSWWXBWCY-INIZCTEOSA-N -1 0 437.901 2.633 50 0 IFAARM O=C(NCCc1nnc2ccccn21)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000040144285 569492038 /nfs/dbraw/zinc/49/20/38/569492038.db2.gz JAVFXXRABNRIKL-UHFFFAOYSA-N -1 0 427.511 2.564 50 0 IFAARM CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000040158020 569494463 /nfs/dbraw/zinc/49/44/63/569494463.db2.gz NZXWTHMUWISLES-UHFFFAOYSA-N -1 0 446.934 2.870 50 0 IFAARM CCOC(=O)c1[n-]n(-c2cccc(OC)c2)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000009191691 569510628 /nfs/dbraw/zinc/51/06/28/569510628.db2.gz XISGXSRXQRUGSZ-MJGOQNOKSA-N -1 0 441.871 2.954 50 0 IFAARM COc1ccccc1C(=O)N/C(=C\c1ccccc1)C(=O)N[C@@H](CCSC)C(=O)[O-] ZINC000009339665 569523753 /nfs/dbraw/zinc/52/37/53/569523753.db2.gz FCLVNKXOEPWSHL-SKQHNDAPSA-N -1 0 428.510 2.789 50 0 IFAARM COc1ccc(CCNC(=O)C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)cc1OC ZINC000009435773 569534906 /nfs/dbraw/zinc/53/49/06/569534906.db2.gz FLUHMYWHNOOLEA-UHFFFAOYSA-N -1 0 432.498 2.640 50 0 IFAARM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(S(=O)(=O)Nc4ccccc4)cc3)cc2o1 ZINC000009467874 569538504 /nfs/dbraw/zinc/53/85/04/569538504.db2.gz IOFJBYFCNBHFPH-UHFFFAOYSA-N -1 0 445.478 2.723 50 0 IFAARM COc1ccccc1NC(=O)CSc1nc(N)c(NC(=O)c2ccc(C)cc2)c(=O)[n-]1 ZINC000009518132 569543964 /nfs/dbraw/zinc/54/39/64/569543964.db2.gz KOWNKUURIHWJFT-UHFFFAOYSA-N -1 0 439.497 2.652 50 0 IFAARM COc1ccc([C@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2C(=O)CCC(=O)[O-])cc1 ZINC000009673766 569558974 /nfs/dbraw/zinc/55/89/74/569558974.db2.gz KYIDKSWBCHMYCE-LJQANCHMSA-N -1 0 445.497 2.609 50 0 IFAARM CS(=O)(=O)Nc1cccc(C2=NN(C(=O)CCCC(=O)[O-])[C@@H](c3ccccc3)C2)c1 ZINC000009673796 569558997 /nfs/dbraw/zinc/55/89/97/569558997.db2.gz LRODTDFFTAGLKO-LJQANCHMSA-N -1 0 429.498 2.991 50 0 IFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C)c(C)c4)c=3c2=O)cc1Cl ZINC000009675017 569559207 /nfs/dbraw/zinc/55/92/07/569559207.db2.gz FELOWRWIMVWPIA-MOPGFXCFSA-N -1 0 441.875 2.897 50 0 IFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4C)c=3c2=O)cc1Cl ZINC000009674919 569559229 /nfs/dbraw/zinc/55/92/29/569559229.db2.gz NZNOGCTUPMFIKR-QZTJIDSGSA-N -1 0 427.848 2.589 50 0 IFAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Br)cc3)c(=O)c1=2)Nc1ccccc1F ZINC000009674721 569559250 /nfs/dbraw/zinc/55/92/50/569559250.db2.gz GDAAZRCYTVGVOI-CVEARBPZSA-N -1 0 446.236 2.520 50 0 IFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C)cc4C)c=3c2=O)cc1Cl ZINC000009674978 569559253 /nfs/dbraw/zinc/55/92/53/569559253.db2.gz OFCXBSSECDPKIU-MOPGFXCFSA-N -1 0 441.875 2.897 50 0 IFAARM COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cc(F)ccc4F)c=3c2=O)cc1Cl ZINC000009675130 569559266 /nfs/dbraw/zinc/55/92/66/569559266.db2.gz 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