smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCC[C@H](O)C[NH+]1CCN(c2nc(C)nc(C)c2Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000036340241 518727839 /nfs/dbraw/zinc/72/78/39/518727839.db2.gz HXDLUJIHPJYFNA-NRFANRHFSA-N 1 0 425.533 3.042 50 30 IGEARO C=CC[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)C1CCCC1 ZINC000057991498 518747198 /nfs/dbraw/zinc/74/71/98/518747198.db2.gz NGWQJQMUHDGBMZ-UHFFFAOYSA-N 1 0 441.597 3.103 50 30 IGEARO CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCN2CC[NH2+]CC2)cc1 ZINC000022917369 519047260 /nfs/dbraw/zinc/04/72/60/519047260.db2.gz XXTHPBIBRBMIGS-HSZRJFAPSA-N 1 0 447.579 3.468 50 30 IGEARO C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH2+]Cc1cc(F)ccc1F)C2 ZINC000014733163 519288478 /nfs/dbraw/zinc/28/84/78/519288478.db2.gz LQFZTBNSQKVJQP-KRWDZBQOSA-N 1 0 432.540 3.183 50 30 IGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2c(C)nc3ccccn32)[C@@H]1c1ccncc1 ZINC000102860255 520596951 /nfs/dbraw/zinc/59/69/51/520596951.db2.gz ANZFNDCHOWDUSI-HFEWCJDKSA-N 1 0 447.539 3.191 50 30 IGEARO CC[NH+](CC)C[C@H](/C(C)=N/[NH+]=C(N)N)[C@@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O ZINC000039944225 520728502 /nfs/dbraw/zinc/72/85/02/520728502.db2.gz VQCXVBUXXLNEKR-LORZKQMCSA-N 1 0 449.555 3.238 50 30 IGEARO Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1ccc(Cl)cc1 ZINC000013684880 527606238 /nfs/dbraw/zinc/60/62/38/527606238.db2.gz GSAPDUCSWSJTGI-IBGZPJMESA-N 1 0 430.936 3.220 50 30 IGEARO C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@H](C[NH+]3CCN(c4ccc(F)cc4)CC3)C(=O)O[C@@H]1C2 ZINC000061992845 556766979 /nfs/dbraw/zinc/76/69/79/556766979.db2.gz FIUCPZNGVDJLBY-NMVSFQQOSA-N 1 0 428.548 3.475 50 30 IGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)O[C@@H](C)C3)[C@@H]1c1ccncc1 ZINC000019861504 556933691 /nfs/dbraw/zinc/93/36/91/556933691.db2.gz DYXWJCDPHQPLEQ-AOMKIAJQSA-N 1 0 435.524 3.325 50 30 IGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccccc1F ZINC000020219315 556999580 /nfs/dbraw/zinc/99/95/80/556999580.db2.gz IEGAXJLXQHDSFR-OAQYLSRUSA-N 1 0 440.471 3.127 50 30 IGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(C)o1 ZINC000020291580 557005986 /nfs/dbraw/zinc/00/59/86/557005986.db2.gz GKHZWTDWSIMJJC-OAQYLSRUSA-N 1 0 440.496 3.279 50 30 IGEARO CCOc1ccccc1[C@@H]1C(C(=O)c2ccc(OC)cc2C)=C(O)C(=O)N1CC[NH+](C)C ZINC000102533191 557343777 /nfs/dbraw/zinc/34/37/77/557343777.db2.gz RHROIRXDIZTISV-HOGKFDNTSA-N 1 0 438.524 3.386 50 30 IGEARO Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1cccs1 ZINC000102516980 557350570 /nfs/dbraw/zinc/35/05/70/557350570.db2.gz QWMFWRGUUXELAV-ZMESVYRVSA-N 1 0 438.553 3.386 50 30 IGEARO Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1cccc(F)c1 ZINC000102528300 557354134 /nfs/dbraw/zinc/35/41/34/557354134.db2.gz QCBDFFOWWRGMFN-OBVHCKHUSA-N 1 0 436.487 3.155 50 30 IGEARO Cc1c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccccc2F)cnn1-c1ccccc1 ZINC000102862845 557403319 /nfs/dbraw/zinc/40/33/19/557403319.db2.gz UHIFNVYCRFERIK-HOGKFDNTSA-N 1 0 448.498 3.303 50 30 IGEARO CC(C)(C)c1cc(C(=O)C[n+]2ccc(C(=O)NCCCO)cc2)cc(C(C)(C)C)c1O ZINC000001951260 562925502 /nfs/dbraw/zinc/92/55/02/562925502.db2.gz YXVYDJPZSJKYRA-UHFFFAOYSA-O 1 0 427.565 3.270 50 30 IGEARO O=C(Nc1ccc(Cl)cc1)[C@@H]1c2cccc[n+]2CC(=O)N1Cc1ccc2c(c1)OCO2 ZINC000013367000 562985800 /nfs/dbraw/zinc/98/58/00/562985800.db2.gz JAMDQDFKKBOIRB-QFIPXVFZSA-O 1 0 436.875 3.078 50 30 IGEARO CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000006196427 568877033 /nfs/dbraw/zinc/87/70/33/568877033.db2.gz DHTHUQZIYHIDJW-MOBKVPTQSA-N 1 0 438.524 3.386 50 30 IGEARO C=CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000217694615 568883129 /nfs/dbraw/zinc/88/31/29/568883129.db2.gz GJGMEQXVOWSZFX-PDFGSZSQSA-N 1 0 447.922 3.352 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2F)cc1OC ZINC000020188867 569355578 /nfs/dbraw/zinc/35/55/78/569355578.db2.gz JCGYJVPNRRBUPU-NRFANRHFSA-N 1 0 442.487 3.373 50 30 IGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1ccc(Br)cc1 ZINC000020219573 569356863 /nfs/dbraw/zinc/35/68/63/569356863.db2.gz SDKGNKZDPIOIML-GOSISDBHSA-N 1 0 444.329 3.374 50 30 IGEARO COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000020229764 569357004 /nfs/dbraw/zinc/35/70/04/569357004.db2.gz UKYWCNSMIBRMKO-OAQYLSRUSA-N 1 0 442.487 3.373 50 30 IGEARO CC(C)[NH+]1CCC(N(C)C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 ZINC000058133769 569448402 /nfs/dbraw/zinc/44/84/02/569448402.db2.gz PMJYPJLHOOFJKO-UHFFFAOYSA-N 1 0 425.533 3.354 50 30 IGEARO CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC000040149640 569492618 /nfs/dbraw/zinc/49/26/18/569492618.db2.gz CGGVPONFUGTVFS-NHCUHLMSSA-N 1 0 426.561 3.286 50 30 IGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000008981551 569494425 /nfs/dbraw/zinc/49/44/25/569494425.db2.gz NMZXEJFIMLISCP-WOOAAIBNSA-N 1 0 427.432 3.107 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000009046067 569498254 /nfs/dbraw/zinc/49/82/54/569498254.db2.gz ONNHNDMXRCJAMA-JBCNATCCSA-N 1 0 442.487 3.216 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccncc2)cc1Cl ZINC000009186651 569510283 /nfs/dbraw/zinc/51/02/83/569510283.db2.gz NDUAKGBXIMPKCI-LFVOPCPISA-N 1 0 429.904 3.117 50 30 IGEARO C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@H]3c3cccc(O)c3)ccc2O1 ZINC000009313144 569521892 /nfs/dbraw/zinc/52/18/92/569521892.db2.gz DFWZAZBAQUKKKJ-NYHFZMIOSA-N 1 0 436.508 3.246 50 30 IGEARO NC1=C(c2nc3ccccc3s2)C(=O)CN1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000064838165 527138208 /nfs/dbraw/zinc/13/82/08/527138208.db2.gz RDWCTFXMFYNVKQ-UHFFFAOYSA-N 1 0 433.581 3.021 50 30 IGEARO CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000008743677 556207990 /nfs/dbraw/zinc/20/79/90/556207990.db2.gz SMLARPAUGADJCB-HOGKFDNTSA-N 1 0 438.524 3.467 50 30 IGEARO O=C(CSc1nnc(NN=CC2=[NH+]Cc3ccccc32)[nH]1)Nc1c(F)cccc1F ZINC000009695022 556306160 /nfs/dbraw/zinc/30/61/60/556306160.db2.gz UHAFPLCYWNDZHF-NUGSKGIGSA-N 1 0 427.440 3.214 50 30 IGEARO C[C@]12CCC[C@]3(CO3)[C@H]1C[C@@H]1[C@H](C[NH+]3CCN(c4ccc(F)cc4)CC3)C(=O)O[C@@H]1C2 ZINC000061992846 556767172 /nfs/dbraw/zinc/76/71/72/556767172.db2.gz FIUCPZNGVDJLBY-JWGCJKGUSA-N 1 0 428.548 3.475 50 30 IGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1cccc(F)c1 ZINC000019880099 556936868 /nfs/dbraw/zinc/93/68/68/556936868.db2.gz JQUJHOPFVZNYLF-NRFANRHFSA-N 1 0 440.471 3.475 50 30 IGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1cccc(OC)c1OC ZINC000020219605 556999979 /nfs/dbraw/zinc/99/99/79/556999979.db2.gz RDVFABVUJKOGPQ-HXUWFJFHSA-N 1 0 439.512 3.019 50 30 IGEARO CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC ZINC000020264223 557004462 /nfs/dbraw/zinc/00/44/62/557004462.db2.gz GLLDUDUWIKMEJX-HXUWFJFHSA-N 1 0 428.485 3.217 50 30 IGEARO Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@H]1c1ccncc1 ZINC000102169354 557313971 /nfs/dbraw/zinc/31/39/71/557313971.db2.gz GEUHYAMTUJHIOC-MOBKVPTQSA-N 1 0 437.540 3.408 50 30 IGEARO Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@@H]1c1ccc(Cl)cc1 ZINC000102532594 557343692 /nfs/dbraw/zinc/34/36/92/557343692.db2.gz DABGGQMICBQXKG-QOJBNDRUSA-N 1 0 438.915 3.279 50 30 IGEARO COc1cccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000102875171 557396786 /nfs/dbraw/zinc/39/67/86/557396786.db2.gz DATCASNBGRYLHJ-GHNGSUTGSA-N 1 0 429.542 3.142 50 30 IGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@H]1c1cccnc1 ZINC000102866664 557404627 /nfs/dbraw/zinc/40/46/27/557404627.db2.gz ANMPJKBSERUKGB-SELCWUDQSA-N 1 0 428.558 3.309 50 30 IGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1F ZINC000102931275 557412822 /nfs/dbraw/zinc/41/28/22/557412822.db2.gz GVTSLZQIHJPCKU-LCPUNJGISA-N 1 0 441.459 3.497 50 30 IGEARO CC[NH+]=C(NCc1ccc2c(c1)OCO2)S[C@@H]1CC(=O)N(c2ccccc2F)C1=O ZINC000001062345 568656087 /nfs/dbraw/zinc/65/60/87/568656087.db2.gz YVODPAATUVSFHD-GOSISDBHSA-N 1 0 429.473 3.085 50 30 IGEARO C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([NH2+]Cc1cccc(F)c1F)C2 ZINC000014537732 568826433 /nfs/dbraw/zinc/82/64/33/568826433.db2.gz YEAARDMTUUJMGM-MRXNPFEDSA-N 1 0 432.540 3.183 50 30 IGEARO C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH2+]Cc1ccc(F)c(F)c1)C2 ZINC000014733515 568827014 /nfs/dbraw/zinc/82/70/14/568827014.db2.gz BPSZAPBVBMVUPA-INIZCTEOSA-N 1 0 432.540 3.183 50 30 IGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1cccc(Br)c1 ZINC000104189289 568900855 /nfs/dbraw/zinc/90/08/55/568900855.db2.gz DHEKSKAQXPZOPS-HVESIFNPSA-N 1 0 433.302 3.416 50 30 IGEARO COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000020150019 569336394 /nfs/dbraw/zinc/33/63/94/569336394.db2.gz GNWISGDTDXOBGH-FQEVSTJZSA-N 1 0 439.468 3.133 50 30 IGEARO COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000020229762 569356944 /nfs/dbraw/zinc/35/69/44/569356944.db2.gz UKYWCNSMIBRMKO-NRFANRHFSA-N 1 0 442.487 3.373 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccs2)cc1OC ZINC000020233023 569357108 /nfs/dbraw/zinc/35/71/08/569357108.db2.gz PTTUVMQGZCTRRS-IBGZPJMESA-N 1 0 430.526 3.295 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccnc2)cc1Cl ZINC000020233659 569357252 /nfs/dbraw/zinc/35/72/52/569357252.db2.gz NTJJQXOVEHFXBA-IBGZPJMESA-N 1 0 429.904 3.274 50 30 IGEARO Cc1cc(O)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1C ZINC000020309906 569359836 /nfs/dbraw/zinc/35/98/36/569359836.db2.gz MXWOWJDJVOXGRW-HXUWFJFHSA-N 1 0 439.468 3.057 50 30 IGEARO COc1ccc(CC[NH2+]C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@@]45O[C@H]5[C@@H]32)cc1OC ZINC000004028629 569458266 /nfs/dbraw/zinc/45/82/66/569458266.db2.gz UJHAAYVZZJWJTB-BRDBSOAYSA-N 1 0 429.557 3.361 50 30 IGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000009008080 569496167 /nfs/dbraw/zinc/49/61/67/569496167.db2.gz SVLXVQBOQRBTFD-YDJIHCHBSA-N 1 0 441.459 3.497 50 30 IGEARO Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1ccccc1 ZINC000009046448 569498375 /nfs/dbraw/zinc/49/83/75/569498375.db2.gz UPVLRPQBCKTSIB-OAQYLSRUSA-N 1 0 432.524 3.481 50 30 IGEARO COc1cccc([C@@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000009067144 569499930 /nfs/dbraw/zinc/49/99/30/569499930.db2.gz MODGYHMYOIXCNQ-JOCHJYFZSA-N 1 0 448.523 3.181 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000009175882 569509757 /nfs/dbraw/zinc/50/97/57/569509757.db2.gz MODPOOCCSPIEAP-MOBKVPTQSA-N 1 0 438.524 3.466 50 30 IGEARO C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]3c3cccc(O)c3)ccc2O1 ZINC000009312533 569521854 /nfs/dbraw/zinc/52/18/54/569521854.db2.gz DFWZAZBAQUKKKJ-OYHNWAKOSA-N 1 0 436.508 3.246 50 30 IGEARO C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@H]3c3cccc(O)c3)ccc2O1 ZINC000009313143 569521943 /nfs/dbraw/zinc/52/19/43/569521943.db2.gz DFWZAZBAQUKKKJ-QRQCRPRQSA-N 1 0 436.508 3.246 50 30 IGEARO Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000009354183 569525062 /nfs/dbraw/zinc/52/50/62/569525062.db2.gz OAGOEOHMPOPIJV-MOBKVPTQSA-N 1 0 436.508 3.140 50 30 IGEARO C#CCOC[C@@H](O)C[N@@H+](Cc1cccc(OC)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146716 518304724 /nfs/dbraw/zinc/30/47/24/518304724.db2.gz OFQZXAZXDWSKJE-GMAHTHKFSA-N 1 0 442.943 3.355 50 30 IGEARO C=CCN1C(=O)N[C@@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C1CN1CC[NH+](CC)CC1 ZINC000035991740 518838322 /nfs/dbraw/zinc/83/83/22/518838322.db2.gz QISNUJACOFRJBI-NRFANRHFSA-N 1 0 446.979 3.047 50 30 IGEARO C=CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@H]12 ZINC000035870976 518931092 /nfs/dbraw/zinc/93/10/92/518931092.db2.gz DHCBSMYGKSBTBC-RBBKRZOGSA-N 1 0 440.931 3.414 50 30 IGEARO CCCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CC[NH+](C)C)cc1OC ZINC000009007932 520418789 /nfs/dbraw/zinc/41/87/89/520418789.db2.gz HQRHHMRNXDCRMJ-YDJIHCHBSA-N 1 0 428.485 3.060 50 30 IGEARO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccs2)c1C ZINC000013692614 521361597 /nfs/dbraw/zinc/36/15/97/521361597.db2.gz CZQRRBSHYFNHDY-GOSISDBHSA-N 1 0 445.541 3.010 50 30 IGEARO COc1ccc(/C(C)=N\OCc2nc3c4c(C)c(C)n(CC[NH+](C)C)c4ncn3n2)cc1 ZINC000013624104 523367779 /nfs/dbraw/zinc/36/77/79/523367779.db2.gz RMYRIYWSHIYGPH-YUMHPJSZSA-N 1 0 435.532 3.207 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(F)cc2)c(OC)c1 ZINC000013732774 523552316 /nfs/dbraw/zinc/55/23/16/523552316.db2.gz COBNZBSSLCZRCM-OAQYLSRUSA-N 1 0 442.487 3.373 50 30 IGEARO COc1ccc(C/C(C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)=N\O)cc1OC ZINC000059409591 523864939 /nfs/dbraw/zinc/86/49/39/523864939.db2.gz GMVIRSAADBNHLX-MXJLDLDKSA-N 1 0 428.485 3.433 50 30 IGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1cccc(Br)c1 ZINC000013127268 524055965 /nfs/dbraw/zinc/05/59/65/524055965.db2.gz VFHQYXLFUXAKER-SFHVURJKSA-N 1 0 444.329 3.374 50 30 IGEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccncc2)cc1Cl ZINC000009123640 556248261 /nfs/dbraw/zinc/24/82/61/556248261.db2.gz JDQOWFLMCMQYIS-LJQANCHMSA-N 1 0 429.904 3.274 50 30 IGEARO CC[NH+](CC)[C@H](CNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)c1cccc(OC)c1 ZINC000032802491 556364985 /nfs/dbraw/zinc/36/49/85/556364985.db2.gz AYAMVXRSZGLZBH-RUZDIDTESA-N 1 0 449.599 3.477 50 30 IGEARO COc1ccc(/C=C2\Oc3c(c(C)c(C[NH+](C)C)c([O-])c3C[NH+](C)C)C2=O)c(OC)c1 ZINC000011865248 556664309 /nfs/dbraw/zinc/66/43/09/556664309.db2.gz LZHYIPIBXSAJLQ-JMIUGGIZSA-N 1 0 426.513 3.457 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2F)c(OC)c1 ZINC000013732873 556720832 /nfs/dbraw/zinc/72/08/32/556720832.db2.gz SMSMYZNLZCPXRY-NRFANRHFSA-N 1 0 442.487 3.373 50 30 IGEARO COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@H]3c3cccnc3)oc21 ZINC000020219435 557000008 /nfs/dbraw/zinc/00/00/08/557000008.db2.gz YRDISLXAXIGGLJ-FQEVSTJZSA-N 1 0 435.480 3.366 50 30 IGEARO CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CC[NH+](C)C)cc1OCC ZINC000020265305 557004424 /nfs/dbraw/zinc/00/44/24/557004424.db2.gz IAAOFJLNGDWBRZ-HXUWFJFHSA-N 1 0 428.485 3.217 50 30 IGEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(O)cc2)cc1 ZINC000020393922 557013074 /nfs/dbraw/zinc/01/30/74/557013074.db2.gz VSNSCYXKDQNYFT-JOCHJYFZSA-N 1 0 436.508 3.487 50 30 IGEARO CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(C)cc1)=C(O)C(=O)N2CCC[NH+](C)C ZINC000024147607 557139053 /nfs/dbraw/zinc/13/90/53/557139053.db2.gz WXHPJMAMPTXLMV-SANMLTNESA-N 1 0 447.535 3.046 50 30 IGEARO CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000102529712 557340958 /nfs/dbraw/zinc/34/09/58/557340958.db2.gz JEMPUNZOJLIUGA-HOGKFDNTSA-N 1 0 438.524 3.386 50 30 IGEARO Cc1c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(F)cc2)cnn1-c1ccccc1 ZINC000102511423 557350072 /nfs/dbraw/zinc/35/00/72/557350072.db2.gz XGOSUXVFOGVFHW-HOGKFDNTSA-N 1 0 448.498 3.303 50 30 IGEARO Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1cccc(F)c1 ZINC000102528291 557353970 /nfs/dbraw/zinc/35/39/70/557353970.db2.gz QCBDFFOWWRGMFN-PGVNHDJNSA-N 1 0 436.487 3.155 50 30 IGEARO C=CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12 ZINC000100201823 557366926 /nfs/dbraw/zinc/36/69/26/557366926.db2.gz GJGMEQXVOWSZFX-HSGJQSDISA-N 1 0 447.922 3.352 50 30 IGEARO Cc1ncc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc(Cl)c2)c(C)n1 ZINC000102735416 557372803 /nfs/dbraw/zinc/37/28/03/557372803.db2.gz GNPHZXCMYSVEKE-LFVOPCPISA-N 1 0 428.920 3.120 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc(F)c2)c(OC)c1 ZINC000102749690 557379140 /nfs/dbraw/zinc/37/91/40/557379140.db2.gz QUXGLZYSGFDMGB-MRJHHRETSA-N 1 0 442.487 3.216 50 30 IGEARO Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1ccc(Cl)cc1 ZINC000102738595 557379819 /nfs/dbraw/zinc/37/98/19/557379819.db2.gz MPDQEUGWGUHASQ-WOOAAIBNSA-N 1 0 430.936 3.064 50 30 IGEARO COc1cccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2CC[NH+](C)C)c1OC ZINC000102740248 557380574 /nfs/dbraw/zinc/38/05/74/557380574.db2.gz MRSDZZZNIUTPFP-MRJHHRETSA-N 1 0 449.507 3.168 50 30 IGEARO COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000102890908 557405368 /nfs/dbraw/zinc/40/53/68/557405368.db2.gz NOIHRFZSKCIVKX-CBLITQMPSA-N 1 0 436.508 3.002 50 30 IGEARO N#CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000002024080 562925661 /nfs/dbraw/zinc/92/56/61/562925661.db2.gz GBDMNGZOMMGTFP-UHFFFAOYSA-N 1 0 428.514 3.262 50 30 IGEARO O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCC[N@@H+](Cc2ccc(C#CCCO)cc2)C1 ZINC000012050077 562980553 /nfs/dbraw/zinc/98/05/53/562980553.db2.gz ITNJZGBIMKEQJL-HSZRJFAPSA-N 1 0 428.536 3.457 50 30 IGEARO O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCC[N@@H+](Cc2ccc(C#CCCO)cc2)C1 ZINC000012050079 562980560 /nfs/dbraw/zinc/98/05/60/562980560.db2.gz ITNJZGBIMKEQJL-QHCPKHFHSA-N 1 0 428.536 3.457 50 30 IGEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc([N+](=O)[O-])c2)cc1F ZINC000016731427 568792518 /nfs/dbraw/zinc/79/25/18/568792518.db2.gz PVNWLLZWDVVBLL-IBGZPJMESA-N 1 0 427.432 3.182 50 30 IGEARO C=CCN1c2ccccc2[C@@]2([NH2+][C@H](CC)[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]32)C1=O ZINC000096300113 568792955 /nfs/dbraw/zinc/79/29/55/568792955.db2.gz JACYHYKXQAODKK-QHYAIYAISA-N 1 0 435.911 3.256 50 30 IGEARO C=CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]1[C@H]1CCC[N@@H+]12 ZINC000138544279 568796032 /nfs/dbraw/zinc/79/60/32/568796032.db2.gz GJGMEQXVOWSZFX-VWEIPLKFSA-N 1 0 447.922 3.352 50 30 IGEARO CC[NH+](CC)CCNC(=O)c1ccc(N2CC(=O)C(c3nc4ccccc4s3)=C2N)cc1 ZINC000006144401 568846022 /nfs/dbraw/zinc/84/60/22/568846022.db2.gz ZLVUIMDTNPJZRE-UHFFFAOYSA-N 1 0 449.580 3.085 50 30 IGEARO COc1ccc(OC)c([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000020191942 569355605 /nfs/dbraw/zinc/35/56/05/569355605.db2.gz GSEJEPRCUQOVNZ-JOCHJYFZSA-N 1 0 438.524 3.461 50 30 IGEARO Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@H]1c1ccc(C)cc1 ZINC000020219543 569356785 /nfs/dbraw/zinc/35/67/85/569356785.db2.gz VWBUMPRGVYBDBO-NRFANRHFSA-N 1 0 432.524 3.399 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(Cl)cc2)cc1OC ZINC000020229668 569357049 /nfs/dbraw/zinc/35/70/49/569357049.db2.gz KBLQOFOYVTWNHD-FQEVSTJZSA-N 1 0 444.915 3.497 50 30 IGEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000008818059 569476896 /nfs/dbraw/zinc/47/68/96/569476896.db2.gz KWVMNLZKGYXDBR-NHFXJNLRSA-N 1 0 435.436 3.324 50 30 IGEARO CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC000040149639 569492499 /nfs/dbraw/zinc/49/24/99/569492499.db2.gz CGGVPONFUGTVFS-LEWJYISDSA-N 1 0 426.561 3.286 50 30 IGEARO COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000009015296 569496741 /nfs/dbraw/zinc/49/67/41/569496741.db2.gz BOLUAHJTTSXMQB-IVZQSRNASA-N 1 0 436.508 3.159 50 30 IGEARO Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1cccc(F)c1 ZINC000009042082 569497646 /nfs/dbraw/zinc/49/76/46/569497646.db2.gz JVLTXQIDXNJGDH-NRFANRHFSA-N 1 0 436.487 3.312 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccccc2F)cc1Cl ZINC000009065593 569499664 /nfs/dbraw/zinc/49/96/64/569499664.db2.gz QMEOOQIPEYGOSJ-LFVOPCPISA-N 1 0 432.879 3.471 50 30 IGEARO Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)s1 ZINC000009301881 569520734 /nfs/dbraw/zinc/52/07/34/569520734.db2.gz WUKGXAQTFWADFN-KRWDZBQOSA-N 1 0 444.513 3.198 50 30 IGEARO C=CCN1C(=O)N[C@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C1CN1CC[NH+](CC)CC1 ZINC000035991741 518841214 /nfs/dbraw/zinc/84/12/14/518841214.db2.gz QISNUJACOFRJBI-OAQYLSRUSA-N 1 0 446.979 3.047 50 30 IGEARO C=CCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000057061432 518976207 /nfs/dbraw/zinc/97/62/07/518976207.db2.gz LEGGIMPVMPAEQK-FQEVSTJZSA-N 1 0 427.508 3.288 50 30 IGEARO CC(=O)Nc1ccc(N2C(=O)C[n+]3ccccc3[C@]2(C)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000013366965 519721428 /nfs/dbraw/zinc/72/14/28/519721428.db2.gz GNRVWVQKZXFWCP-XMMPIXPASA-O 1 0 449.918 3.487 50 30 IGEARO CNS(=O)(=O)c1ccc(C[N+](=O)[C@H]2N(c3ccccc3)C(=S)SC2(C)C)cc1 ZINC000002260568 522272963 /nfs/dbraw/zinc/27/29/63/522272963.db2.gz QLBZSSBLPANOPC-WBRURWICSA-N 1 0 435.596 3.167 50 30 IGEARO COc1cccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2CC[NH+](C)C)c1OC ZINC000013684896 524109886 /nfs/dbraw/zinc/10/98/86/524109886.db2.gz CUMSFQSDWMJGMK-OAQYLSRUSA-N 1 0 449.507 3.325 50 30 IGEARO COc1cccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000013718638 524170402 /nfs/dbraw/zinc/17/04/02/524170402.db2.gz HRRWSSNMXRNRAR-NRFANRHFSA-N 1 0 442.487 3.373 50 30 IGEARO COc1cccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2CC[NH+](C)C)c1OC ZINC000013684892 524171936 /nfs/dbraw/zinc/17/19/36/524171936.db2.gz CUMSFQSDWMJGMK-NRFANRHFSA-N 1 0 449.507 3.325 50 30 IGEARO Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1cccc(Cl)c1 ZINC000013691366 527605962 /nfs/dbraw/zinc/60/59/62/527605962.db2.gz UHFFWPBAVXXKCH-LJQANCHMSA-N 1 0 430.936 3.220 50 30 IGEARO C=CCC[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)Nc3ccc(F)c(Cl)c3)co2)CC1 ZINC000034677510 555795809 /nfs/dbraw/zinc/79/58/09/555795809.db2.gz MNHZTFFLPJMCKN-INIZCTEOSA-N 1 0 436.915 3.164 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1C ZINC000008902641 556231359 /nfs/dbraw/zinc/23/13/59/556231359.db2.gz KBQJHAYYSSNOOE-FQEVSTJZSA-N 1 0 439.468 3.052 50 30 IGEARO COc1cc(NC(=[NH2+])Nc2nc(CSc3ccc(C)cc3)cc(=O)[nH]2)cc(OC)c1 ZINC000017027684 556653611 /nfs/dbraw/zinc/65/36/11/556653611.db2.gz CQQPDBMWVYDXHT-UHFFFAOYSA-N 1 0 425.514 3.446 50 30 IGEARO C[C@]12CCC[C@]3(CO3)[C@H]1C[C@@H]1[C@H](C[NH+]3CCN(c4ccccc4F)CC3)C(=O)O[C@@H]1C2 ZINC000061997028 556767405 /nfs/dbraw/zinc/76/74/05/556767405.db2.gz NTIBRLUAJIGIPI-HTDZEYJHSA-N 1 0 428.548 3.475 50 30 IGEARO C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@H](C[NH+]3CCN(c4ccccc4F)CC3)C(=O)O[C@@H]1C2 ZINC000061997027 556767500 /nfs/dbraw/zinc/76/75/00/556767500.db2.gz NTIBRLUAJIGIPI-MOWNWVOXSA-N 1 0 428.548 3.475 50 30 IGEARO C=CCN1c2ccccc2[C@@]2([NH2+][C@H](CCCC)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)C1=O ZINC000222355164 556839595 /nfs/dbraw/zinc/83/95/95/556839595.db2.gz RBRWKEPTKIZNHP-POTDMOMCSA-N 1 0 443.547 3.378 50 30 IGEARO COc1ccc(C(=O)/C=C/c2cn(C[C@H](O)CN3CC[NH+](C)CC3)c3ccccc23)cc1 ZINC000019901304 556942044 /nfs/dbraw/zinc/94/20/44/556942044.db2.gz YAZNRJMYUBQGGZ-RUCTVCJSSA-N 1 0 433.552 3.154 50 30 IGEARO CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(O)cc2)cc1 ZINC000102169999 557313949 /nfs/dbraw/zinc/31/39/49/557313949.db2.gz IUPVHIDYLXNDSG-HOGKFDNTSA-N 1 0 438.524 3.410 50 30 IGEARO COc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000102500916 557338158 /nfs/dbraw/zinc/33/81/58/557338158.db2.gz NFDNMZIQTIRFPY-SELCWUDQSA-N 1 0 429.542 3.142 50 30 IGEARO CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC ZINC000102862489 557402880 /nfs/dbraw/zinc/40/28/80/557402880.db2.gz JWDCDDDKMPALTF-HOGKFDNTSA-N 1 0 438.524 3.467 50 30 IGEARO COCCNC1=[NH+]c2ncccc2NC12CCN(C(=O)COc1cccc(Cl)c1)CC2 ZINC000096309695 557776574 /nfs/dbraw/zinc/77/65/74/557776574.db2.gz SUQWVRUIMGYGTF-UHFFFAOYSA-N 1 0 443.935 3.058 50 30 IGEARO COc1cccc(-c2cc(CC3(O)CC[NH+](Cc4cc(C#CCO)cs4)CC3)on2)c1 ZINC000020149344 568855795 /nfs/dbraw/zinc/85/57/95/568855795.db2.gz QIWHHPYLPIGWKH-UHFFFAOYSA-N 1 0 438.549 3.325 50 30 IGEARO C[NH+]1CCN(c2ccc(Nc3ncc4cc(C#N)c(=O)n(C5CCCC5)c4n3)cc2)CC1 ZINC000103269269 568895327 /nfs/dbraw/zinc/89/53/27/568895327.db2.gz VADOZMZXXRBXNY-UHFFFAOYSA-N 1 0 429.528 3.274 50 30 in-vitro IGEARO C#CCOC[C@H](O)C[N@@H+](Cc1cccc(OC)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000169677428 568989705 /nfs/dbraw/zinc/98/97/05/568989705.db2.gz OFQZXAZXDWSKJE-GGAORHGYSA-N 1 0 442.943 3.355 50 30 IGEARO C=CCOC[C@H](O)C[N@@H+](Cc1cccc(OC)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000169678003 568990398 /nfs/dbraw/zinc/99/03/98/568990398.db2.gz KGRFGQQSWBALAH-GGAORHGYSA-N 1 0 428.504 3.393 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(C)o2)cc1OC ZINC000020228159 569356946 /nfs/dbraw/zinc/35/69/46/569356946.db2.gz AYERMWKIBKOYLU-FQEVSTJZSA-N 1 0 428.485 3.135 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(Cl)cc2)cc1OC ZINC000020229666 569357061 /nfs/dbraw/zinc/35/70/61/569357061.db2.gz KBLQOFOYVTWNHD-HXUWFJFHSA-N 1 0 444.915 3.497 50 30 IGEARO COc1ccccc1N1CC[NH+](C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@@]45O[C@H]5[C@H]23)CC1 ZINC000059409673 569461171 /nfs/dbraw/zinc/46/11/71/569461171.db2.gz PMFYPFTXEUCBCZ-WCDKVJEDSA-N 1 0 440.584 3.343 50 30 IGEARO COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]3c3ccncc3)oc21 ZINC000008817857 569476949 /nfs/dbraw/zinc/47/69/49/569476949.db2.gz WULZDBUHNMLIEU-YDJIHCHBSA-N 1 0 435.480 3.210 50 30 IGEARO C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CC[NH+](C)C)[C@@H]3c3ccc(N(C)C)cc3)ccc2O1 ZINC000009009401 569496372 /nfs/dbraw/zinc/49/63/72/569496372.db2.gz AHLVLXIYEFUMGO-WAIKUNEKSA-N 1 0 449.551 3.216 50 30 IGEARO CCOc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC ZINC000009043450 569497810 /nfs/dbraw/zinc/49/78/10/569497810.db2.gz MMZDYQROWAPWNR-MRJHHRETSA-N 1 0 442.512 3.369 50 30 IGEARO CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1OC ZINC000009186454 569510190 /nfs/dbraw/zinc/51/01/90/569510190.db2.gz LOIIZOFEJSIEBL-HOGKFDNTSA-N 1 0 438.524 3.386 50 30 IGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000009333800 569523095 /nfs/dbraw/zinc/52/30/95/569523095.db2.gz BRAWZWGDUMFEQN-NHFXJNLRSA-N 1 0 441.459 3.497 50 30 IGEARO C#Cc1cccc(NC(=O)c2nnn(-c3cccc4c3CC[N@@H+](C3CCOCC3)C4)c2C)c1 ZINC000071890402 518367096 /nfs/dbraw/zinc/36/70/96/518367096.db2.gz YYVQGSGDLAQQAC-UHFFFAOYSA-N 1 0 441.535 3.346 50 30 IGEARO CC[N@H+](CCC1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1)CC(C)C ZINC000095459635 521001846 /nfs/dbraw/zinc/00/18/46/521001846.db2.gz UUBOZUWTTXVZNV-UHFFFAOYSA-N 1 0 448.633 3.099 50 30 IGEARO COc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000013718640 524110618 /nfs/dbraw/zinc/11/06/18/524110618.db2.gz HRRWSSNMXRNRAR-OAQYLSRUSA-N 1 0 442.487 3.373 50 30 IGEARO COc1ccccc1/C=N/OCc1nc2c3c(C)c(C)n(CCC[NH+](C)C)c3ncn2n1 ZINC000013592847 524325831 /nfs/dbraw/zinc/32/58/31/524325831.db2.gz VBLRUTCDQMQXCQ-DHRITJCHSA-N 1 0 435.532 3.207 50 30 IGEARO Cc1c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccco2)cnn1-c1ccccc1 ZINC000009275664 525552140 /nfs/dbraw/zinc/55/21/40/525552140.db2.gz MEHNLUFNFXEUTA-NRFANRHFSA-N 1 0 434.496 3.304 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000009271353 556271073 /nfs/dbraw/zinc/27/10/73/556271073.db2.gz URKSMSHSWHRYRE-FQEVSTJZSA-N 1 0 439.468 3.052 50 30 IGEARO COc1cccc(N2CC[NH+](C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@]6(CO6)[C@@H]5C[C@H]34)CC2)c1 ZINC000229992597 556433342 /nfs/dbraw/zinc/43/33/42/556433342.db2.gz SGDNDBSJHXDOKR-WIAZEZMVSA-N 1 0 440.584 3.344 50 30 IGEARO Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1cccc(OC(C)C)c1 ZINC000013720404 556717030 /nfs/dbraw/zinc/71/70/30/556717030.db2.gz LDTUTINKTZTNSZ-OAQYLSRUSA-N 1 0 440.544 3.344 50 30 IGEARO COc1ccc(C/C(C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)=N\O)cc1OC ZINC000033881890 556719858 /nfs/dbraw/zinc/71/98/58/556719858.db2.gz GMVIRSAADBNHLX-FLVDCRJSSA-N 1 0 428.485 3.433 50 30 IGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)O[C@H](C)C3)[C@@H]1c1ccncc1 ZINC000019861500 556933678 /nfs/dbraw/zinc/93/36/78/556933678.db2.gz DYXWJCDPHQPLEQ-ZHRRBRCNSA-N 1 0 435.524 3.325 50 30 IGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(F)cc1 ZINC000020219325 556999638 /nfs/dbraw/zinc/99/96/38/556999638.db2.gz DFSUOSHOIASEFK-OAQYLSRUSA-N 1 0 440.471 3.127 50 30 IGEARO C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000020263692 557004179 /nfs/dbraw/zinc/00/41/79/557004179.db2.gz JDPFSWTVGBLMNO-JOCHJYFZSA-N 1 0 436.508 3.400 50 30 IGEARO C=CCOc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000101297926 557270522 /nfs/dbraw/zinc/27/05/22/557270522.db2.gz XJDCGNRZKDJVED-WOOAAIBNSA-N 1 0 441.553 3.308 50 30 IGEARO COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1ccncc1 ZINC000102749110 557379206 /nfs/dbraw/zinc/37/92/06/557379206.db2.gz YWGYWQQWNDAYTC-WOOAAIBNSA-N 1 0 429.904 3.117 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000102797471 557388763 /nfs/dbraw/zinc/38/87/63/557388763.db2.gz MSHWJKYIGYCOEE-MOBKVPTQSA-N 1 0 447.491 3.412 50 30 IGEARO COc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000102873163 557396197 /nfs/dbraw/zinc/39/61/97/557396197.db2.gz DGCXCOCYWZWAAS-MOBKVPTQSA-N 1 0 438.524 3.466 50 30 IGEARO Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1ccccc1F ZINC000102877426 557406602 /nfs/dbraw/zinc/40/66/02/557406602.db2.gz LPHKZGOMKYXDKO-PGVNHDJNSA-N 1 0 436.487 3.155 50 30 IGEARO Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)s1 ZINC000102881713 557408098 /nfs/dbraw/zinc/40/80/98/557408098.db2.gz ROSDCYMUUHATRS-GROYHEBESA-N 1 0 444.513 3.042 50 30 IGEARO C#CCOC[C@H](O)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2Cl)=NO1 ZINC000104985302 568623370 /nfs/dbraw/zinc/62/33/70/568623370.db2.gz QMWDHTUKPBFFIW-WOJBJXKFSA-N 1 0 430.907 3.485 50 30 IGEARO C#CCOC[C@@H](O)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104985077 568623582 /nfs/dbraw/zinc/62/35/82/568623582.db2.gz KUWPMXAOQKEIJM-FCHUYYIVSA-N 1 0 430.907 3.485 50 30 IGEARO C=CCN1c2ccccc2[C@@]2([NH2+][C@H](CC(C)C)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]32)C1=O ZINC000096318610 568792967 /nfs/dbraw/zinc/79/29/67/568792967.db2.gz GZLMWBMCALCJPM-QSAXNBNMSA-N 1 0 429.520 3.238 50 30 IGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1ccncc1 ZINC000019999370 569180140 /nfs/dbraw/zinc/18/01/40/569180140.db2.gz PIFAVICVMWGYQX-FQEVSTJZSA-N 1 0 427.476 3.149 50 30 IGEARO COc1cccc(N2CC[NH+](C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)[C@]56O[C@@H]6[C@H]34)CC2)c1 ZINC000252693300 569210840 /nfs/dbraw/zinc/21/08/40/569210840.db2.gz BWCCPKOGNYJWSN-JPOWVWCISA-N 1 0 440.584 3.343 50 30 IGEARO COC(=O)C[N@@+]1(C)CCc2c(c(OC)c3c(c2C(=O)/C=C/c2ccc(C)cc2)OCO3)C1 ZINC000253390542 569264341 /nfs/dbraw/zinc/26/43/41/569264341.db2.gz RXSQHEKHLDMIDP-OGJPMFGRSA-N 1 0 438.500 3.304 50 30 IGEARO COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000020133222 569335569 /nfs/dbraw/zinc/33/55/69/569335569.db2.gz VKRMJTNKNNRVDL-HXUWFJFHSA-N 1 0 439.468 3.133 50 30 IGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@H]1c1cccnc1 ZINC000020150155 569336392 /nfs/dbraw/zinc/33/63/92/569336392.db2.gz NLFPEKLGOGYWNV-GOSISDBHSA-N 1 0 428.558 3.465 50 30 IGEARO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)NCCSCc1ccccc1C#N ZINC000028724779 569418861 /nfs/dbraw/zinc/41/88/61/569418861.db2.gz BDCGNBFFLXOICS-SFHVURJKSA-N 1 0 434.569 3.181 50 30 IGEARO Cc1oc(-c2nc(C#N)c(NCCC[NH+](C)C)o2)cc1S(=O)(=O)N(C)c1ccccc1 ZINC000040285707 569498100 /nfs/dbraw/zinc/49/81/00/569498100.db2.gz MQJHRZDVXQWBSK-UHFFFAOYSA-N 1 0 443.529 3.303 50 30 IGEARO Cc1ccc([C@@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CCC[NH+](C)C)o1 ZINC000009235678 569514083 /nfs/dbraw/zinc/51/40/83/569514083.db2.gz SOZIAWIJIKEKFA-HXUWFJFHSA-N 1 0 436.512 3.383 50 30 IGEARO CCOc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000009240096 569514589 /nfs/dbraw/zinc/51/45/89/569514589.db2.gz FPEZWCBRLDVMHM-MOBKVPTQSA-N 1 0 438.524 3.467 50 30 IGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000009333957 569523234 /nfs/dbraw/zinc/52/32/34/569523234.db2.gz BZDMHZFMRRSMKJ-WOOAAIBNSA-N 1 0 427.432 3.107 50 30 IGEARO C=CCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000057061433 518977579 /nfs/dbraw/zinc/97/75/79/518977579.db2.gz LEGGIMPVMPAEQK-HXUWFJFHSA-N 1 0 427.508 3.288 50 30 IGEARO C=CCOC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000036146994 518994695 /nfs/dbraw/zinc/99/46/95/518994695.db2.gz MOXUAYSXJSMMAN-RTWAWAEBSA-N 1 0 442.487 3.113 50 30 IGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2c(C)nc3ccccn32)[C@H]1c1cccnc1 ZINC000020219802 520600256 /nfs/dbraw/zinc/60/02/56/520600256.db2.gz ITDCXYRGURJLQC-JOCHJYFZSA-N 1 0 447.539 3.348 50 30 IGEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc(Cl)c1 ZINC000019897770 521755270 /nfs/dbraw/zinc/75/52/70/521755270.db2.gz NGLYRQGVSHDDGJ-FQEVSTJZSA-N 1 0 442.899 3.251 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc(F)c2)c(OC)c1 ZINC000013692863 523553958 /nfs/dbraw/zinc/55/39/58/523553958.db2.gz MOQVRJWRDDMVPU-NRFANRHFSA-N 1 0 442.487 3.373 50 30 IGEARO COc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCC[NH+](C)C)c1OC ZINC000012576518 524173607 /nfs/dbraw/zinc/17/36/07/524173607.db2.gz SUVLRYQWBKQNKU-SFHVURJKSA-N 1 0 430.526 3.295 50 30 IGEARO COc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CC[NH+](C)C)cc1OC ZINC000012468004 525386593 /nfs/dbraw/zinc/38/65/93/525386593.db2.gz WCINFJXLOVLGLP-QFIPXVFZSA-N 1 0 438.524 3.461 50 30 IGEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000016156235 556585755 /nfs/dbraw/zinc/58/57/55/556585755.db2.gz LPXYQAQHXVGGHM-SFHVURJKSA-N 1 0 429.860 3.388 50 30 IGEARO COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000016805247 556643334 /nfs/dbraw/zinc/64/33/34/556643334.db2.gz CSEIDHIJPJSCID-NRFANRHFSA-N 1 0 442.487 3.373 50 30 IGEARO COc1ccc([C@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000013730692 556720476 /nfs/dbraw/zinc/72/04/76/556720476.db2.gz VSSFVAILQZDEDQ-NRFANRHFSA-N 1 0 442.487 3.373 50 30 IGEARO COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1cccnc1 ZINC000013729014 556721233 /nfs/dbraw/zinc/72/12/33/556721233.db2.gz YUMLCOQYPYVDHR-IBGZPJMESA-N 1 0 429.904 3.274 50 30 IGEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(Cl)cc1 ZINC000020193216 556996780 /nfs/dbraw/zinc/99/67/80/556996780.db2.gz YLSJBVUFVTXELV-FQEVSTJZSA-N 1 0 442.899 3.251 50 30 IGEARO COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000020228796 557001308 /nfs/dbraw/zinc/00/13/08/557001308.db2.gz QFBGDSLFVFEWQZ-FQEVSTJZSA-N 1 0 444.915 3.497 50 30 IGEARO COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C=C(NCCCn2ccnc2)C[C@H]1C ZINC000604404043 557246546 /nfs/dbraw/zinc/24/65/46/557246546.db2.gz AANKNXLTUOWNMT-DMZKTXOQSA-N 1 0 445.903 3.040 50 30 IGEARO Cc1cc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccncc2)ccc1OCC(C)C ZINC000102175644 557314278 /nfs/dbraw/zinc/31/42/78/557314278.db2.gz MOJWQPDBELFZCY-MOBKVPTQSA-N 1 0 437.540 3.408 50 30 IGEARO C=CCN1c2ccccc2[C@@]2([NH2+][C@H](CC(C)C)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1=O ZINC000100118973 557315670 /nfs/dbraw/zinc/31/56/70/557315670.db2.gz AAPFVZOGMOQGDV-LEKPLPIFSA-N 1 0 443.547 3.234 50 30 IGEARO CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1OC ZINC000102489135 557331955 /nfs/dbraw/zinc/33/19/55/557331955.db2.gz DWRKJQACMLNDAT-MRJHHRETSA-N 1 0 442.487 3.216 50 30 IGEARO Cc1ncc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc(Cl)c2)c(C)n1 ZINC000102735413 557372799 /nfs/dbraw/zinc/37/27/99/557372799.db2.gz GNPHZXCMYSVEKE-WOOAAIBNSA-N 1 0 428.920 3.120 50 30 IGEARO COc1ccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2CC[NH+](C)C)cc1OC ZINC000102745860 557378134 /nfs/dbraw/zinc/37/81/34/557378134.db2.gz OSULEZAJHQRKGT-HOGKFDNTSA-N 1 0 449.507 3.168 50 30 IGEARO Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1ccc(Cl)cc1 ZINC000102738599 557379771 /nfs/dbraw/zinc/37/97/71/557379771.db2.gz MPDQEUGWGUHASQ-LFVOPCPISA-N 1 0 430.936 3.064 50 30 IGEARO C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([NH2+]Cc1cc(F)cc(F)c1)C2 ZINC000014746662 568826938 /nfs/dbraw/zinc/82/69/38/568826938.db2.gz HBGNDSMYAHXGFM-GOSISDBHSA-N 1 0 432.540 3.183 50 30 IGEARO C=CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([NH2+]Cc1cccc3ccccc31)C2 ZINC000014752503 568827029 /nfs/dbraw/zinc/82/70/29/568827029.db2.gz AQVFYXKKWZEAQH-NRFANRHFSA-N 1 0 430.552 3.342 50 30 IGEARO C=CCOc1ccccc1C[N@H+]1CCc2nnc(CCNC(=O)C3CCCCC3)n2CC1 ZINC000020364102 568855964 /nfs/dbraw/zinc/85/59/64/568855964.db2.gz XBJREJQIHMXSBG-UHFFFAOYSA-N 1 0 437.588 3.140 50 30 IGEARO C=CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000169677514 568883640 /nfs/dbraw/zinc/88/36/40/568883640.db2.gz DHCBSMYGKSBTBC-UNMCSNQZSA-N 1 0 440.931 3.414 50 30 IGEARO COc1ccc(OC)c(-c2csc(C3=C(N)N(CC[C@H]4CCC[N@@H+]4C)[C@@H](C)C3=O)n2)c1 ZINC000169678627 568989898 /nfs/dbraw/zinc/98/98/98/568989898.db2.gz AHTWJWHMEYZGSU-LSDHHAIUSA-N 1 0 442.585 3.212 50 30 IGEARO COc1ccccc1N1CC[NH+](C[C@@H]2C(=O)O[C@@]34[C@H]5O[C@@]5(C)CC[C@@H]3[C@@H](C)CC[C@H]24)CC1 ZINC000253487887 569282999 /nfs/dbraw/zinc/28/29/99/569282999.db2.gz SRNHEUPEANGIAG-FAVVOTAGSA-N 1 0 440.584 3.343 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccc2F)cc1OC ZINC000020188864 569355633 /nfs/dbraw/zinc/35/56/33/569355633.db2.gz JCGYJVPNRRBUPU-OAQYLSRUSA-N 1 0 442.487 3.373 50 30 IGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1cc(OC)ccc1OC ZINC000020219607 569356797 /nfs/dbraw/zinc/35/67/97/569356797.db2.gz PXQLIOFLMVATQX-OAQYLSRUSA-N 1 0 439.512 3.019 50 30 IGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000020219556 569356836 /nfs/dbraw/zinc/35/68/36/569356836.db2.gz LWRQORWTEIRUAD-NRFANRHFSA-N 1 0 439.512 3.019 50 30 IGEARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(c5ccccc5F)CC4)[C@H]3[C@@H]3O[C@]312 ZINC000059410291 569461235 /nfs/dbraw/zinc/46/12/35/569461235.db2.gz KIZXOVDPLWWWDO-LYIAMYLRSA-N 1 0 428.548 3.473 50 30 IGEARO CC[NH+](CC)CCOc1ccc(CNC(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1OC ZINC000040151671 569493268 /nfs/dbraw/zinc/49/32/68/569493268.db2.gz KPSFIZYGDSJJDH-SFHVURJKSA-N 1 0 425.529 3.371 50 30 IGEARO CCCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](C)C)cc1OC ZINC000008985745 569494829 /nfs/dbraw/zinc/49/48/29/569494829.db2.gz TWSLEUPJDUCVJU-MOBKVPTQSA-N 1 0 438.524 3.467 50 30 IGEARO COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000009041272 569497606 /nfs/dbraw/zinc/49/76/06/569497606.db2.gz FZNJLXJDJVPXDX-YDJIHCHBSA-N 1 0 444.915 3.341 50 30 IGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccc(OC)c1 ZINC000009046342 569498404 /nfs/dbraw/zinc/49/84/04/569498404.db2.gz XGIGPNCKSIOIAU-MOBKVPTQSA-N 1 0 438.524 3.467 50 30 IGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2c(C)nc3ccccn32)[C@H]1c1ccco1 ZINC000009122164 569504129 /nfs/dbraw/zinc/50/41/29/569504129.db2.gz XCJBTYAJQJGWHB-OBVHCKHUSA-N 1 0 436.512 3.389 50 30 IGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1cccnc1 ZINC000009177858 569509769 /nfs/dbraw/zinc/50/97/69/569509769.db2.gz MPQQJTISSCWSDC-SELCWUDQSA-N 1 0 444.329 3.218 50 30 IGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000009302008 569520743 /nfs/dbraw/zinc/52/07/43/569520743.db2.gz FHDZKCUJRQUGPO-GHNGSUTGSA-N 1 0 429.498 3.420 50 30 IGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000009302007 569520770 /nfs/dbraw/zinc/52/07/70/569520770.db2.gz FHDZKCUJRQUGPO-SELCWUDQSA-N 1 0 429.498 3.420 50 30 IGEARO C#CCOC[C@H](O)C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146568 518312206 /nfs/dbraw/zinc/31/22/06/518312206.db2.gz KUWPMXAOQKEIJM-YADHBBJMSA-N 1 0 430.907 3.485 50 30 IGEARO C=CCOc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000008983168 519048331 /nfs/dbraw/zinc/04/83/31/519048331.db2.gz RWBFCMUMTYAOSJ-IBGZPJMESA-N 1 0 441.553 3.465 50 30 IGEARO COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCC[NH+](C)C)c1OC ZINC000102715662 524168063 /nfs/dbraw/zinc/16/80/63/524168063.db2.gz BSWQAWGPIBCPPP-MRJHHRETSA-N 1 0 438.524 3.386 50 30 IGEARO COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]3c3ccncc3)oc21 ZINC000020219432 524257500 /nfs/dbraw/zinc/25/75/00/524257500.db2.gz VKRBQYHXPAWTDA-HXUWFJFHSA-N 1 0 435.480 3.366 50 30 IGEARO COc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CC[NH+](C)C)cc1OC ZINC000012468005 525217752 /nfs/dbraw/zinc/21/77/52/525217752.db2.gz WCINFJXLOVLGLP-JOCHJYFZSA-N 1 0 438.524 3.461 50 30 IGEARO C[C@H]([NH2+]CC(=O)Nc1cccc(S(=O)(=O)N=C2CCCCCN2)c1)c1ccc(F)cc1 ZINC000013039805 525306794 /nfs/dbraw/zinc/30/67/94/525306794.db2.gz LQUSDGAPKBCTNP-INIZCTEOSA-N 1 0 446.548 3.366 50 30 IGEARO CC[NH+](CC)[C@@H](CNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)c1cccc(OC)c1 ZINC000032802489 556365050 /nfs/dbraw/zinc/36/50/50/556365050.db2.gz AYAMVXRSZGLZBH-VWLOTQADSA-N 1 0 449.599 3.477 50 30 IGEARO COc1ccccc1N1CC[NH+](C[C@@H]2C(=O)O[C@]34[C@@H]5O[C@]5(C)CC[C@H]3[C@H](C)CC[C@@H]24)CC1 ZINC000061997564 556763655 /nfs/dbraw/zinc/76/36/55/556763655.db2.gz SRNHEUPEANGIAG-SLABSUCASA-N 1 0 440.584 3.343 50 30 IGEARO Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1ccc(C)cc1 ZINC000019861565 556933876 /nfs/dbraw/zinc/93/38/76/556933876.db2.gz UJDRHTMJZZCKID-JOCHJYFZSA-N 1 0 432.524 3.481 50 30 IGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1cccnc1 ZINC000019884929 556938184 /nfs/dbraw/zinc/93/81/84/556938184.db2.gz SZHKAAQNDJFQAU-GOSISDBHSA-N 1 0 444.329 3.374 50 30 IGEARO CCCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccccc1)=C(O)C(=O)N2CCC[NH+](C)C ZINC000024192935 557140123 /nfs/dbraw/zinc/14/01/23/557140123.db2.gz ZYPDPKXZNZXDSU-SANMLTNESA-N 1 0 447.535 3.127 50 30 IGEARO Cc1cc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccnc2)ccc1OCC(C)C ZINC000102175562 557314314 /nfs/dbraw/zinc/31/43/14/557314314.db2.gz ZNVFCFAXYHSCLZ-HOGKFDNTSA-N 1 0 437.540 3.408 50 30 IGEARO CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](C)C)cc1OCC ZINC000102488717 557332011 /nfs/dbraw/zinc/33/20/11/557332011.db2.gz KZMGYBDTXNYVSH-MOBKVPTQSA-N 1 0 438.524 3.467 50 30 IGEARO COc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000102873166 557396159 /nfs/dbraw/zinc/39/61/59/557396159.db2.gz DGCXCOCYWZWAAS-HOGKFDNTSA-N 1 0 438.524 3.466 50 30 IGEARO C=CCOC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000104983257 568623875 /nfs/dbraw/zinc/62/38/75/568623875.db2.gz MOXUAYSXJSMMAN-NHCUHLMSSA-N 1 0 442.487 3.113 50 30 IGEARO C=CCN1c2ccccc2[C@@]2([NH2+][C@@H](CC)[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]32)C1=O ZINC000096300114 568792997 /nfs/dbraw/zinc/79/29/97/568792997.db2.gz JACYHYKXQAODKK-CDSYHYPYSA-N 1 0 435.911 3.256 50 30 IGEARO C=CCN1c2ccccc2[C@@]2([NH2+][C@H](CC)[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]32)C1=O ZINC000169620698 568883795 /nfs/dbraw/zinc/88/37/95/568883795.db2.gz JACYHYKXQAODKK-CWMLTSOLSA-N 1 0 435.911 3.256 50 30 IGEARO CCOc1ccc(NC(=O)[C@@H]2c3cccc[n+]3CC(=O)N2c2ccc(OCC)cc2)cc1 ZINC000020138844 569336136 /nfs/dbraw/zinc/33/61/36/569336136.db2.gz HOXNWQFXBCVWEW-DEOSSOPVSA-O 1 0 432.500 3.498 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000020171100 569354447 /nfs/dbraw/zinc/35/44/47/569354447.db2.gz FJEKNOVAUNEVKK-OAQYLSRUSA-N 1 0 442.487 3.373 50 30 IGEARO COc1ccc(N2C(=O)C[n+]3ccccc3[C@H]2C(=O)Nc2ccc(Cl)cc2)c(OC)c1 ZINC000020322560 569360409 /nfs/dbraw/zinc/36/04/09/569360409.db2.gz UOYRTZLQSOBUQN-QFIPXVFZSA-O 1 0 438.891 3.371 50 30 IGEARO O=C(c1cccs1)C1=C(O)C(=O)N(CC[NH+]2CCCC2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000096335814 569396637 /nfs/dbraw/zinc/39/66/37/569396637.db2.gz MQTSAPCODGMLII-LJQANCHMSA-N 1 0 426.494 3.151 50 30 IGEARO C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CC[NH+](C)C)[C@H]3c3ccc(N(C)C)cc3)ccc2O1 ZINC000009009400 569496255 /nfs/dbraw/zinc/49/62/55/569496255.db2.gz AHLVLXIYEFUMGO-HJPURHCSSA-N 1 0 449.551 3.216 50 30 IGEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccccc2OC)cc1 ZINC000009008719 569496378 /nfs/dbraw/zinc/49/63/78/569496378.db2.gz YMQOJQVHHVUZHI-MOBKVPTQSA-N 1 0 436.508 3.243 50 30 IGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cc(OC)ccc1OC ZINC000009042124 569497669 /nfs/dbraw/zinc/49/76/69/569497669.db2.gz KNLSYRXTJNRDJL-HOGKFDNTSA-N 1 0 438.524 3.467 50 30 IGEARO COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000009339596 569523745 /nfs/dbraw/zinc/52/37/45/569523745.db2.gz IXMVVMPFGGMFAX-HXUWFJFHSA-N 1 0 428.485 3.135 50 30 IGEARO N#CC1(c2ccccc2)CCC2(CC1)NC(=[NH2+])Nc1nc3cc4c(cc3n12)OCCCO4 ZINC000009635313 569554609 /nfs/dbraw/zinc/55/46/09/569554609.db2.gz PYEAPUGMHVSQFF-UHFFFAOYSA-N 1 0 428.496 3.435 50 30 IGEARO C=CCOc1cccc(C(=O)N2CCC([NH+]3CCC(C(=O)N4CCCC4)CC3)CC2)c1 ZINC000012706127 519051210 /nfs/dbraw/zinc/05/12/10/519051210.db2.gz FNTGFJMTKLWFBK-UHFFFAOYSA-N 1 0 425.573 3.190 50 30 IGEARO C=CCOc1ccccc1C[NH+]1CCC([C@]2(Cc3ccccc3F)NC(=O)NC2=O)CC1 ZINC000012160830 519070277 /nfs/dbraw/zinc/07/02/77/519070277.db2.gz VLPIKHUCJMVGEJ-VWLOTQADSA-N 1 0 437.515 3.423 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(C)o2)cc1OC ZINC000020228156 523549367 /nfs/dbraw/zinc/54/93/67/523549367.db2.gz AYERMWKIBKOYLU-HXUWFJFHSA-N 1 0 428.485 3.135 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(F)cc2)cc1OC ZINC000020171101 523552893 /nfs/dbraw/zinc/55/28/93/523552893.db2.gz FJEKNOVAUNEVKK-NRFANRHFSA-N 1 0 442.487 3.373 50 30 IGEARO Cc1ccc([C@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CC[NH+](C)C)o1 ZINC000012468668 525984962 /nfs/dbraw/zinc/98/49/62/525984962.db2.gz AWIQLNJJJABDAX-NRFANRHFSA-N 1 0 434.496 3.222 50 30 IGEARO COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1ccncc1 ZINC000013725610 556719384 /nfs/dbraw/zinc/71/93/84/556719384.db2.gz HCOUUFBZRHJUEZ-LJQANCHMSA-N 1 0 429.904 3.274 50 30 IGEARO C[C@@H]1CC[C@H]2[C@@H](C[NH+]3CCN(c4ccccc4F)CC3)C(=O)O[C@@]23[C@@H]2O[C@]2(C)CC[C@@H]13 ZINC000061997622 556763823 /nfs/dbraw/zinc/76/38/23/556763823.db2.gz UDPFOMKNYCYJOB-MFMFHFLBSA-N 1 0 428.548 3.473 50 30 IGEARO C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1C[NH+]1CCN(c2ccccc2F)CC1 ZINC000061997025 556767426 /nfs/dbraw/zinc/76/74/26/556767426.db2.gz NTIBRLUAJIGIPI-JIAZJEIESA-N 1 0 428.548 3.475 50 30 IGEARO COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC ZINC000019927969 556946121 /nfs/dbraw/zinc/94/61/21/556946121.db2.gz NZNHBZWRPQRDJM-OAQYLSRUSA-N 1 0 442.487 3.373 50 30 IGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc(F)c1 ZINC000020229310 557001725 /nfs/dbraw/zinc/00/17/25/557001725.db2.gz USRQWQABRRJWSW-OAQYLSRUSA-N 1 0 440.471 3.127 50 30 IGEARO COc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC ZINC000020265627 557004443 /nfs/dbraw/zinc/00/44/43/557004443.db2.gz SICIVVVNDVBRRO-LJQANCHMSA-N 1 0 430.526 3.295 50 30 IGEARO CCCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(C)cc1)=C(O)C(=O)N2CC[NH+](C)C ZINC000024192920 557139968 /nfs/dbraw/zinc/13/99/68/557139968.db2.gz NYFPXCHTVWKKOK-SANMLTNESA-N 1 0 447.535 3.046 50 30 IGEARO C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@H]3c3cccc(O)c3)ccc2O1 ZINC000102513363 557350281 /nfs/dbraw/zinc/35/02/81/557350281.db2.gz XMFMLDHMIUKMHT-CBLITQMPSA-N 1 0 436.508 3.089 50 30 IGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)cc1 ZINC000102615416 557359330 /nfs/dbraw/zinc/35/93/30/557359330.db2.gz DPAZGJWKKPHCGO-YDJIHCHBSA-N 1 0 441.459 3.497 50 30 IGEARO C=CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@H]1CCCC[N@@H+]12 ZINC000100206597 557367460 /nfs/dbraw/zinc/36/74/60/557367460.db2.gz JNHADTJUPUDAGI-CQAGSAPUSA-N 1 0 427.504 3.088 50 30 IGEARO COc1ccccc1[C@@H]1C(C(=O)c2sc(C)nc2C)=C(O)C(=O)N1CCC[NH+](C)C ZINC000102875846 557397296 /nfs/dbraw/zinc/39/72/96/557397296.db2.gz XWDXMAKGTDMBDS-SELCWUDQSA-N 1 0 429.542 3.142 50 30 IGEARO C#CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)noc1N(CC)CC)C[C@@H]1CCCO1 ZINC000104996510 568623806 /nfs/dbraw/zinc/62/38/06/568623806.db2.gz NFBPLVVTNWPSNV-YADHBBJMSA-N 1 0 441.572 3.180 50 30 IGEARO C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH2+]Cc1cc(F)cc(F)c1)C2 ZINC000014746663 568826972 /nfs/dbraw/zinc/82/69/72/568826972.db2.gz HBGNDSMYAHXGFM-SFHVURJKSA-N 1 0 432.540 3.183 50 30 IGEARO C=C(C)[C@@H]1CC=C(C[N@H+]2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)CC1 ZINC000014999008 568827931 /nfs/dbraw/zinc/82/79/31/568827931.db2.gz LQEMIEQIXKVDNP-OAQYLSRUSA-N 1 0 437.563 3.437 50 30 IGEARO C=CCN1c2ccccc2[C@@]2([NH2+][C@H](CC(C)C)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]32)C1=O ZINC000017167289 568851324 /nfs/dbraw/zinc/85/13/24/568851324.db2.gz GZLMWBMCALCJPM-OJZVVMIASA-N 1 0 429.520 3.238 50 30 IGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1ccncc1 ZINC000019999373 569180138 /nfs/dbraw/zinc/18/01/38/569180138.db2.gz PIFAVICVMWGYQX-HXUWFJFHSA-N 1 0 427.476 3.149 50 30 IGEARO CCOc1ccc(NC(=O)[C@H]2c3cccc[n+]3CC(=O)N2c2ccc(OCC)cc2)cc1 ZINC000020138841 569336123 /nfs/dbraw/zinc/33/61/23/569336123.db2.gz HOXNWQFXBCVWEW-XMMPIXPASA-O 1 0 432.500 3.498 50 30 IGEARO Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1ccc(C)cc1 ZINC000008896380 569483928 /nfs/dbraw/zinc/48/39/28/569483928.db2.gz ISQGXMBGDIEIJG-HFEWCJDKSA-N 1 0 432.524 3.325 50 30 IGEARO Cc1c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccccc2F)cnn1-c1ccccc1 ZINC000008901643 569484332 /nfs/dbraw/zinc/48/43/32/569484332.db2.gz QQJYQWLSFOLHOI-JOCHJYFZSA-N 1 0 448.498 3.460 50 30 IGEARO Cc1c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(F)cc2)cnn1-c1ccccc1 ZINC000008902869 569484414 /nfs/dbraw/zinc/48/44/14/569484414.db2.gz CXBAZUMTXMHNND-QFIPXVFZSA-N 1 0 448.498 3.460 50 30 IGEARO CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC000040149642 569492507 /nfs/dbraw/zinc/49/25/07/569492507.db2.gz CGGVPONFUGTVFS-RTWAWAEBSA-N 1 0 426.561 3.286 50 30 IGEARO CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CC[NH+](CC)CC)cc1OC ZINC000009043889 569497915 /nfs/dbraw/zinc/49/79/15/569497915.db2.gz VHACWMXCDBRRNE-JBCNATCCSA-N 1 0 442.512 3.450 50 30 IGEARO CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CC[NH+](CC)CC)cc1OC ZINC000009043893 569497935 /nfs/dbraw/zinc/49/79/35/569497935.db2.gz VHACWMXCDBRRNE-MRJHHRETSA-N 1 0 442.512 3.450 50 30 IGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(OC)cc1 ZINC000009270774 569517674 /nfs/dbraw/zinc/51/76/74/569517674.db2.gz KOBNNPMEKRHQJJ-HOGKFDNTSA-N 1 0 438.524 3.467 50 30 IGEARO CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C[N+]12CCN(CC1)CC2 ZINC000009632300 569553979 /nfs/dbraw/zinc/55/39/79/569553979.db2.gz KDPPGSXPDBNCGP-UHFFFAOYSA-O 1 0 434.969 3.330 50 30 IGEARO C=CCCNC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000057427997 518703149 /nfs/dbraw/zinc/70/31/49/518703149.db2.gz QYXQEJBKNCCGEN-OAQYLSRUSA-N 1 0 440.551 3.251 50 30 IGEARO C=CCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)noc1N1CCSCC1)C1CC1 ZINC000036249949 518993028 /nfs/dbraw/zinc/99/30/28/518993028.db2.gz NIJUZTYXLXHPAZ-HXUWFJFHSA-N 1 0 429.586 3.423 50 30 IGEARO CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCN2CC[NH2+]CC2)cc1 ZINC000022917375 519049684 /nfs/dbraw/zinc/04/96/84/519049684.db2.gz XXTHPBIBRBMIGS-QHCPKHFHSA-N 1 0 447.579 3.468 50 30 IGEARO COC(=O)C[N@+]1(C)CCc2c(c(OC)c3c(c2C(=O)/C=C/c2cccc(F)c2)OCO3)C1 ZINC000252441457 523363503 /nfs/dbraw/zinc/36/35/03/523363503.db2.gz WOVDDYSZXORFOD-DIJOXEGBSA-N 1 0 442.463 3.135 50 30 IGEARO COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1ccccn1 ZINC000102740757 524192259 /nfs/dbraw/zinc/19/22/59/524192259.db2.gz VXTZALAALSTDLS-LFVOPCPISA-N 1 0 429.904 3.117 50 30 IGEARO Cc1c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccccc2)cnn1-c1ccccc1 ZINC000102862015 525512070 /nfs/dbraw/zinc/51/20/70/525512070.db2.gz DVCDCWPDBMOWQK-MOBKVPTQSA-N 1 0 430.508 3.164 50 30 IGEARO Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1ccc(OC(C)C)cc1 ZINC000013690990 526484000 /nfs/dbraw/zinc/48/40/00/526484000.db2.gz GKCLZLQTUDBWFU-NRFANRHFSA-N 1 0 440.544 3.344 50 30 IGEARO Cc1ncc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(Cl)cc2)c(C)n1 ZINC000102736746 527219299 /nfs/dbraw/zinc/21/92/99/527219299.db2.gz VLARRMVELHKXLU-WOOAAIBNSA-N 1 0 428.920 3.120 50 30 IGEARO COc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCC[NH+](C)C)c1OC ZINC000008743982 556208449 /nfs/dbraw/zinc/20/84/49/556208449.db2.gz ZOBWJZAZRPBELF-GHNGSUTGSA-N 1 0 430.526 3.139 50 30 IGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccco1 ZINC000013127493 556476011 /nfs/dbraw/zinc/47/60/11/556476011.db2.gz ZQQKLZBMSAVRLZ-NRFANRHFSA-N 1 0 440.496 3.361 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccs2)c(OC)c1 ZINC000013719359 556717954 /nfs/dbraw/zinc/71/79/54/556717954.db2.gz XTDRHTFMGWOWEM-LJQANCHMSA-N 1 0 430.526 3.295 50 30 IGEARO COc1ccc(OC)c([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000013730776 556720535 /nfs/dbraw/zinc/72/05/35/556720535.db2.gz HYPVNBMJFTXPLQ-JOCHJYFZSA-N 1 0 449.507 3.325 50 30 IGEARO Cc1ncc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc(Cl)c2)c(C)n1 ZINC000013736582 556722813 /nfs/dbraw/zinc/72/28/13/556722813.db2.gz CFTYOCBAMAPMSD-LJQANCHMSA-N 1 0 428.920 3.277 50 30 IGEARO CCCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CC[NH+](C)C)cc1OC ZINC000020263569 557004088 /nfs/dbraw/zinc/00/40/88/557004088.db2.gz NRQSSHOEWHLUDQ-FQEVSTJZSA-N 1 0 428.485 3.217 50 30 IGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccco1 ZINC000020291002 557005691 /nfs/dbraw/zinc/00/56/91/557005691.db2.gz ZQQKLZBMSAVRLZ-OAQYLSRUSA-N 1 0 440.496 3.361 50 30 IGEARO Cc1cc(O)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1C ZINC000020309879 557007253 /nfs/dbraw/zinc/00/72/53/557007253.db2.gz SNWTYXLDFVWVFR-HXUWFJFHSA-N 1 0 439.468 3.057 50 30 IGEARO CCCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(C)cc1)=C(O)C(=O)N2CC[NH+](C)C ZINC000024192919 557139979 /nfs/dbraw/zinc/13/99/79/557139979.db2.gz NYFPXCHTVWKKOK-AREMUKBSSA-N 1 0 447.535 3.046 50 30 IGEARO COc1ccc([C@@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000102500782 557337950 /nfs/dbraw/zinc/33/79/50/557337950.db2.gz RTAIETSIFUKUBK-IAMBOQNYSA-N 1 0 448.523 3.025 50 30 IGEARO CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000102529720 557341010 /nfs/dbraw/zinc/34/10/10/557341010.db2.gz JEMPUNZOJLIUGA-MOBKVPTQSA-N 1 0 438.524 3.386 50 30 IGEARO Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@H]1c1ccc(Cl)cc1 ZINC000102532588 557343879 /nfs/dbraw/zinc/34/38/79/557343879.db2.gz DABGGQMICBQXKG-ASBZNUFUSA-N 1 0 438.915 3.279 50 30 IGEARO COc1ccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2CC[NH+](C)C)cc1OC ZINC000102745865 557378063 /nfs/dbraw/zinc/37/80/63/557378063.db2.gz OSULEZAJHQRKGT-MOBKVPTQSA-N 1 0 449.507 3.168 50 30 IGEARO Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@H]1c1cccc(F)c1 ZINC000102929935 557413699 /nfs/dbraw/zinc/41/36/99/557413699.db2.gz WSMSJXQTGNTNHM-ASBZNUFUSA-N 1 0 436.487 3.074 50 30 IGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1cccc(O)c1 ZINC000016731299 568792545 /nfs/dbraw/zinc/79/25/45/568792545.db2.gz HAXZAWWMKMPLMU-NRFANRHFSA-N 1 0 442.487 3.460 50 30 IGEARO C=CCN1c2ccccc2[C@@]2([NH2+][C@@H](CC(C)C)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]32)C1=O ZINC000096318611 568792978 /nfs/dbraw/zinc/79/29/78/568792978.db2.gz GZLMWBMCALCJPM-IYCJUYGXSA-N 1 0 429.520 3.238 50 30 IGEARO C=CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([NH2+]CC1C3CC4CC(C3)CC1C4)C2 ZINC000014542192 568826378 /nfs/dbraw/zinc/82/63/78/568826378.db2.gz CIVBTBYZQFQQPA-GJBGWGSXSA-N 1 0 438.616 3.061 50 30 IGEARO COc1ccccc1N1CCN([C@H]2CCC[N@H+](Cc3ccc(C#CCCO)cc3)C2)CC1 ZINC000019794485 568855110 /nfs/dbraw/zinc/85/51/10/568855110.db2.gz YAKDAHJNUUCLPI-VWLOTQADSA-N 1 0 433.596 3.216 50 30 IGEARO COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC ZINC000006198502 568877026 /nfs/dbraw/zinc/87/70/26/568877026.db2.gz ZJTSYPKZIITEDS-MRJHHRETSA-N 1 0 442.487 3.216 50 30 IGEARO Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000020219319 569356866 /nfs/dbraw/zinc/35/68/66/569356866.db2.gz DMJUNCDHMCHQQE-JOCHJYFZSA-N 1 0 436.508 3.296 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(Cl)cc2)cc1OC ZINC000008921600 569486868 /nfs/dbraw/zinc/48/68/68/569486868.db2.gz ZKPWHICTTBWCMQ-YDJIHCHBSA-N 1 0 444.915 3.341 50 30 IGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000009008081 569496206 /nfs/dbraw/zinc/49/62/06/569496206.db2.gz SVLXVQBOQRBTFD-NHFXJNLRSA-N 1 0 441.459 3.497 50 30 IGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cc(OC)ccc1OC ZINC000009042127 569497707 /nfs/dbraw/zinc/49/77/07/569497707.db2.gz KNLSYRXTJNRDJL-MOBKVPTQSA-N 1 0 438.524 3.467 50 30 IGEARO Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1ccccc1F ZINC000009178060 569509829 /nfs/dbraw/zinc/50/98/29/569509829.db2.gz GIZNXTNMXJGCHJ-OAQYLSRUSA-N 1 0 436.487 3.312 50 30 IGEARO COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccs2)c1C ZINC000009234712 569513978 /nfs/dbraw/zinc/51/39/78/569513978.db2.gz WIPYDOWXUHKMNA-GOSISDBHSA-N 1 0 445.541 3.010 50 30 IGEARO Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000009354182 569525066 /nfs/dbraw/zinc/52/50/66/569525066.db2.gz OAGOEOHMPOPIJV-HOGKFDNTSA-N 1 0 436.508 3.140 50 30 IGEARO C=CCOC[C@@H](O)C[N@@H+](Cc1cccc(OC)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146879 518989216 /nfs/dbraw/zinc/98/92/16/518989216.db2.gz KGRFGQQSWBALAH-JTHBVZDNSA-N 1 0 428.504 3.393 50 30 IGEARO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000012986780 519177572 /nfs/dbraw/zinc/17/75/72/519177572.db2.gz MEQHMZFGQLKXHX-UHFFFAOYSA-N 1 0 430.534 3.132 50 30 IGEARO C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH2+]CCc1ccccc1F)C2 ZINC000014746726 519290119 /nfs/dbraw/zinc/29/01/19/519290119.db2.gz XDOFRDCUDSZVMX-SFHVURJKSA-N 1 0 428.577 3.087 50 30 IGEARO COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1ccccc1OC ZINC000013686027 524295719 /nfs/dbraw/zinc/29/57/19/524295719.db2.gz JGTJAQDAYGVUBL-OAQYLSRUSA-N 1 0 442.487 3.373 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000009275121 556271755 /nfs/dbraw/zinc/27/17/55/556271755.db2.gz DKLAPNQVRGSXKJ-HXUWFJFHSA-N 1 0 439.468 3.052 50 30 IGEARO CNS(=O)(=O)c1ccc(C[N+](=O)[C@@H]2N(Cc3ccccc3)C(=S)SC2(C)C)cc1 ZINC000013756289 556300588 /nfs/dbraw/zinc/30/05/88/556300588.db2.gz JFKRQKRKKFXDEQ-PVFDWLMNSA-N 1 0 449.623 3.163 50 30 IGEARO COc1ccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2CC[NH+](C)C)cc1OC ZINC000013734715 556722390 /nfs/dbraw/zinc/72/23/90/556722390.db2.gz TWKGSNWACJCWLG-QFIPXVFZSA-N 1 0 449.507 3.325 50 30 IGEARO COc1ccccc1N1CC[NH+](C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@@H]4C[C@@H]32)CC1 ZINC000061997716 556764070 /nfs/dbraw/zinc/76/40/70/556764070.db2.gz XLATVRVWGYAYDV-GGVLGZQVSA-N 1 0 440.584 3.344 50 30 IGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1cc(OC)ccc1OC ZINC000020265008 557004402 /nfs/dbraw/zinc/00/44/02/557004402.db2.gz XSFOEZKXPIVAMS-HXUWFJFHSA-N 1 0 428.485 3.217 50 30 IGEARO CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(C)cc1)=C(O)C(=O)N2CCC[NH+](C)C ZINC000024147603 557139012 /nfs/dbraw/zinc/13/90/12/557139012.db2.gz WXHPJMAMPTXLMV-AREMUKBSSA-N 1 0 447.535 3.046 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccc(F)c2)cc1Cl ZINC000102521072 557352563 /nfs/dbraw/zinc/35/25/63/557352563.db2.gz JJMQJRVZTFUNFU-LFVOPCPISA-N 1 0 432.879 3.471 50 30 IGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)cc1 ZINC000102615424 557359093 /nfs/dbraw/zinc/35/90/93/557359093.db2.gz DPAZGJWKKPHCGO-NHFXJNLRSA-N 1 0 441.459 3.497 50 30 IGEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(Cl)cc1 ZINC000102704515 557366094 /nfs/dbraw/zinc/36/60/94/557366094.db2.gz YMPUGCWPPGLAPS-NHFXJNLRSA-N 1 0 442.899 3.095 50 30 IGEARO COc1cccc([C@@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000102735365 557372791 /nfs/dbraw/zinc/37/27/91/557372791.db2.gz IDPFOLOQFAFFJT-JBCNATCCSA-N 1 0 442.487 3.216 50 30 IGEARO COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1cccnc1 ZINC000102741164 557375888 /nfs/dbraw/zinc/37/58/88/557375888.db2.gz LRFYMRUAJBHPPZ-WOOAAIBNSA-N 1 0 429.904 3.117 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccco2)cc1F ZINC000102737126 557379564 /nfs/dbraw/zinc/37/95/64/557379564.db2.gz GYZCPPIMUWDSMO-WOOAAIBNSA-N 1 0 425.416 3.136 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc(F)c2)cc1F ZINC000102737797 557379876 /nfs/dbraw/zinc/37/98/76/557379876.db2.gz LFVXYMYSOHGDNK-NHFXJNLRSA-N 1 0 430.451 3.347 50 30 IGEARO Cc1ccc([C@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CC[NH+](C)C)o1 ZINC000100452232 557403686 /nfs/dbraw/zinc/40/36/86/557403686.db2.gz DVEHVEQATYNJMM-MRJHHRETSA-N 1 0 434.496 3.065 50 30 IGEARO COc1ccccc1[C@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1CC[NH+](C)C ZINC000102895224 557406084 /nfs/dbraw/zinc/40/60/84/557406084.db2.gz PWVRJEPXXBORRF-MOBKVPTQSA-N 1 0 438.524 3.466 50 30 IGEARO Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)s1 ZINC000102881711 557408015 /nfs/dbraw/zinc/40/80/15/557408015.db2.gz ROSDCYMUUHATRS-HVESIFNPSA-N 1 0 444.513 3.042 50 30 IGEARO CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000104161115 557452147 /nfs/dbraw/zinc/45/21/47/557452147.db2.gz DHTHUQZIYHIDJW-HOGKFDNTSA-N 1 0 438.524 3.386 50 30 IGEARO Cc1ccc[n+](C2=C(NS(=O)(=O)c3ccc(Cl)cc3)C(=O)c3ccccc3C2=O)c1 ZINC000002375096 569289296 /nfs/dbraw/zinc/28/92/96/569289296.db2.gz WNHPWHRNVARZMV-UHFFFAOYSA-O 1 0 439.900 3.162 50 30 IGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1cccnc1 ZINC000020150154 569336354 /nfs/dbraw/zinc/33/63/54/569336354.db2.gz NLFPEKLGOGYWNV-SFHVURJKSA-N 1 0 428.558 3.465 50 30 IGEARO COc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000009232835 569513768 /nfs/dbraw/zinc/51/37/68/569513768.db2.gz TZUGSPJKCJRAOQ-SFHVURJKSA-N 1 0 429.542 3.299 50 30 IGEARO COc1cccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000009271471 569517729 /nfs/dbraw/zinc/51/77/29/569517729.db2.gz CONVWQSSKMETBQ-GOSISDBHSA-N 1 0 429.542 3.299 50 30 IGEARO C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]3c3cccc(O)c3)ccc2O1 ZINC000009312532 569521883 /nfs/dbraw/zinc/52/18/83/569521883.db2.gz DFWZAZBAQUKKKJ-IVZQSRNASA-N 1 0 436.508 3.246 50 30 IGEARO COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000009333714 569523083 /nfs/dbraw/zinc/52/30/83/569523083.db2.gz IXMVVMPFGGMFAX-FQEVSTJZSA-N 1 0 428.485 3.135 50 30 IGEARO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](C)Cc3ccccc3-c3ccccc3)CC2)o1 ZINC000060356483 569587240 /nfs/dbraw/zinc/58/72/40/569587240.db2.gz MHURDTKACUKGFX-UHFFFAOYSA-N 1 0 429.524 3.302 50 30 IGEARO CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccccc3C#N)[NH+]3CCCCC3)ccc21 ZINC000009138171 132226947 /nfs/dbraw/zinc/22/69/47/132226947.db2.gz PRAHPFJTGCUMGC-XMMPIXPASA-N 1 0 445.567 3.223 50 30 IGEARO C#CCOC[C@@H](O)C[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C1CCCCC1 ZINC000036157053 518305267 /nfs/dbraw/zinc/30/52/67/518305267.db2.gz UNUAELQPLRTMQV-KRWDZBQOSA-N 1 0 429.586 3.009 50 30 IGEARO C=CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@H]12 ZINC000035870975 518921658 /nfs/dbraw/zinc/92/16/58/518921658.db2.gz DHCBSMYGKSBTBC-IFMALSPDSA-N 1 0 440.931 3.414 50 30 IGEARO CCCCOC(=O)C[N+]1(CCNC(=O)COc2ccc(Cl)cc2Cl)CCCC1 ZINC000009144485 520716321 /nfs/dbraw/zinc/71/63/21/520716321.db2.gz LANOIMGWRURHJB-UHFFFAOYSA-O 1 0 432.368 3.442 50 30 IGEARO COc1ccc([C@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000102749589 525382969 /nfs/dbraw/zinc/38/29/69/525382969.db2.gz ZWUUOOVHAJHLDP-MRJHHRETSA-N 1 0 442.487 3.216 50 30 IGEARO COc1ccc([C@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000008982003 525386781 /nfs/dbraw/zinc/38/67/81/525386781.db2.gz RJEXEYZQXQNQCI-NRFANRHFSA-N 1 0 448.523 3.100 50 30 IGEARO Cc1c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccco2)cnn1-c1ccccc1 ZINC000102497303 525512219 /nfs/dbraw/zinc/51/22/19/525512219.db2.gz UETIOOKAHUOJLE-JBCNATCCSA-N 1 0 434.496 3.147 50 30 IGEARO COc1ccc(CCNC(=O)C[n+]2cc(-c3ccc(Cl)cc3)n3c2CCC3)cc1OC ZINC000013769376 556304638 /nfs/dbraw/zinc/30/46/38/556304638.db2.gz MXSLEMNSXDPEGR-UHFFFAOYSA-O 1 0 440.951 3.418 50 30 IGEARO CCCCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000013809708 556311599 /nfs/dbraw/zinc/31/15/99/556311599.db2.gz TZVQMYASANSSKF-NRFANRHFSA-N 1 0 442.567 3.475 50 30 IGEARO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)Nc1cccc2nsnc21 ZINC000032777090 556327965 /nfs/dbraw/zinc/32/79/65/556327965.db2.gz KDGVJXCVDDPJEJ-UHFFFAOYSA-N 1 0 443.602 3.228 50 30 IGEARO O=[N+]([O-])N=C1NCN(c2ccc(Cl)cc2)CN1C1CC[NH+](Cc2ccccc2)CC1 ZINC000004398297 556416219 /nfs/dbraw/zinc/41/62/19/556416219.db2.gz OTFQOYGVKHDNFV-UHFFFAOYSA-N 1 0 428.924 3.179 50 30 IGEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000016156236 556585810 /nfs/dbraw/zinc/58/58/10/556585810.db2.gz LPXYQAQHXVGGHM-GOSISDBHSA-N 1 0 429.860 3.388 50 30 IGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1cccnc1 ZINC000016734261 556632859 /nfs/dbraw/zinc/63/28/59/556632859.db2.gz LRKSMHYUOZZCLS-NRFANRHFSA-N 1 0 439.512 3.019 50 30 IGEARO COc1cccc(/C=C2\Oc3c(c(C)c(C[NH+](C)C)c([O-])c3C[NH+](C)C)C2=O)c1OC ZINC000011865250 556664438 /nfs/dbraw/zinc/66/44/38/556664438.db2.gz LGHANZOPMRUFPP-ODLFYWEKSA-N 1 0 426.513 3.457 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccc2F)c(OC)c1 ZINC000013732870 556720804 /nfs/dbraw/zinc/72/08/04/556720804.db2.gz SMSMYZNLZCPXRY-OAQYLSRUSA-N 1 0 442.487 3.373 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(F)cc2)c(OC)c1 ZINC000013732777 556720895 /nfs/dbraw/zinc/72/08/95/556720895.db2.gz COBNZBSSLCZRCM-NRFANRHFSA-N 1 0 442.487 3.373 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2OC)cc1F ZINC000013735504 556721929 /nfs/dbraw/zinc/72/19/29/556721929.db2.gz PGONONZMEPKDRP-NRFANRHFSA-N 1 0 442.487 3.373 50 30 IGEARO C=CCN1C(=O)c2ccc(C(=O)Nc3nc4ccccc4n3CC[NH+](CC)CC)cc2C1=O ZINC000010653038 556745177 /nfs/dbraw/zinc/74/51/77/556745177.db2.gz PDMZVOPUCHFIIA-UHFFFAOYSA-N 1 0 445.523 3.412 50 30 IGEARO C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000061992843 556767060 /nfs/dbraw/zinc/76/70/60/556767060.db2.gz FIUCPZNGVDJLBY-IRXCLELFSA-N 1 0 428.548 3.475 50 30 IGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2c(C)nc3ccccn32)[C@@H]1c1cccnc1 ZINC000020219801 556999884 /nfs/dbraw/zinc/99/98/84/556999884.db2.gz ITDCXYRGURJLQC-QFIPXVFZSA-N 1 0 447.539 3.348 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccncc2)cc1Cl ZINC000020229450 557001714 /nfs/dbraw/zinc/00/17/14/557001714.db2.gz AYERXZRHQZHNGE-IBGZPJMESA-N 1 0 429.904 3.274 50 30 IGEARO COc1ccc(OC)c(-c2csc(C3=C(N)N(CC[C@@H]4CCC[N@@H+]4C)[C@@H](C)C3=O)n2)c1 ZINC000101319790 557273092 /nfs/dbraw/zinc/27/30/92/557273092.db2.gz AHTWJWHMEYZGSU-GJZGRUSLSA-N 1 0 442.585 3.212 50 30 IGEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000102508022 557330545 /nfs/dbraw/zinc/33/05/45/557330545.db2.gz ACRPLEYOAMINFS-HOGKFDNTSA-N 1 0 438.524 3.467 50 30 IGEARO COc1cccc([C@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000102735367 557372849 /nfs/dbraw/zinc/37/28/49/557372849.db2.gz IDPFOLOQFAFFJT-MRJHHRETSA-N 1 0 442.487 3.216 50 30 IGEARO COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1ccccc1OC ZINC000102752958 557383421 /nfs/dbraw/zinc/38/34/21/557383421.db2.gz BQXMIUYNUVAOEM-JBCNATCCSA-N 1 0 442.487 3.216 50 30 IGEARO COc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCC[NH+](C)C)c(OC)c1 ZINC000102926839 557410348 /nfs/dbraw/zinc/41/03/48/557410348.db2.gz NMKGYWFBAAPMQE-LFVOPCPISA-N 1 0 430.526 3.139 50 30 IGEARO C=C(C)[C@@H]1CC=C(C[N@H+]2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)CC1 ZINC000011913551 568821100 /nfs/dbraw/zinc/82/11/00/568821100.db2.gz JECUGBAILXDTPT-JOCHJYFZSA-N 1 0 434.588 3.083 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccccc2OC)cc1Cl ZINC000020228260 569356957 /nfs/dbraw/zinc/35/69/57/569356957.db2.gz UIHJWQKAXABDOV-FQEVSTJZSA-N 1 0 444.915 3.497 50 30 IGEARO CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1OC ZINC000020264886 569358418 /nfs/dbraw/zinc/35/84/18/569358418.db2.gz HGUIOGBRHMPPED-NRFANRHFSA-N 1 0 442.487 3.373 50 30 IGEARO C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CC[NH+](C)C)[C@H]3c3ccc(N(C)C)cc3)ccc2O1 ZINC000009009399 569496362 /nfs/dbraw/zinc/49/63/62/569496362.db2.gz AHLVLXIYEFUMGO-MWTRTKDXSA-N 1 0 449.551 3.216 50 30 IGEARO COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000009015294 569496689 /nfs/dbraw/zinc/49/66/89/569496689.db2.gz BOLUAHJTTSXMQB-QRQCRPRQSA-N 1 0 436.508 3.159 50 30 IGEARO COc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000009045280 569498037 /nfs/dbraw/zinc/49/80/37/569498037.db2.gz FUGYWBNWUWFTEJ-YDJIHCHBSA-N 1 0 444.915 3.341 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(F)cc2)cc1OC ZINC000009046069 569498276 /nfs/dbraw/zinc/49/82/76/569498276.db2.gz ONNHNDMXRCJAMA-MRJHHRETSA-N 1 0 442.487 3.216 50 30 IGEARO COc1ccccc1[C@@H]1C(C(=O)c2c(C)nc3c(C)cccn32)=C(O)C(=O)N1CC[NH+](C)C ZINC000009046862 569498437 /nfs/dbraw/zinc/49/84/37/569498437.db2.gz RVQAHHXMLRPSTP-OAQYLSRUSA-N 1 0 448.523 3.100 50 30 IGEARO COc1cccc([C@@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000009275497 569518373 /nfs/dbraw/zinc/51/83/73/569518373.db2.gz WRVPXPJVWXQKQG-OAQYLSRUSA-N 1 0 448.523 3.100 50 30 IGEARO CC(C)c1nc(N2CCN(C(=O)C[NH+]3CCCCC3)CC2)c(C#N)c2c1COC(C)(C)C2 ZINC000013627642 132352096 /nfs/dbraw/zinc/35/20/96/132352096.db2.gz QPIDBOPWKKAROM-UHFFFAOYSA-N 1 0 439.604 3.062 50 30 IGEARO C=CCOC[C@@H](O)C[N@@H+](CCOC)Cc1c(-c2ccccc2)noc1N1CCCCC1 ZINC000036312976 518984542 /nfs/dbraw/zinc/98/45/42/518984542.db2.gz JBQDZQIGWJBDAK-NRFANRHFSA-N 1 0 429.561 3.344 50 30 IGEARO CC#CCN1C(=O)N[C@](CCc2ccccc2)(C2CC[NH+](Cc3ccccn3)CC2)C1=O ZINC000011790847 519343375 /nfs/dbraw/zinc/34/33/75/519343375.db2.gz MERGWQMHDDESHO-AREMUKBSSA-N 1 0 430.552 3.240 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccs2)cc1OC ZINC000020233017 523551498 /nfs/dbraw/zinc/55/14/98/523551498.db2.gz PTTUVMQGZCTRRS-LJQANCHMSA-N 1 0 430.526 3.295 50 30 IGEARO COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1ccccc1OC ZINC000102752959 524295065 /nfs/dbraw/zinc/29/50/65/524295065.db2.gz BQXMIUYNUVAOEM-MRJHHRETSA-N 1 0 442.487 3.216 50 30 IGEARO Cc1c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccn2)cnn1-c1ccccc1 ZINC000013124744 525553414 /nfs/dbraw/zinc/55/34/14/525553414.db2.gz ZZVMUXYRIOEFRD-JOCHJYFZSA-N 1 0 445.523 3.106 50 30 IGEARO Cc1ncc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(Cl)cc2)c(C)n1 ZINC000013689593 527222433 /nfs/dbraw/zinc/22/24/33/527222433.db2.gz SMVFXPAAXRTNQQ-IBGZPJMESA-N 1 0 428.920 3.277 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc([N+](=O)[O-])c2)cc1C ZINC000008837387 556225905 /nfs/dbraw/zinc/22/59/05/556225905.db2.gz SMAJAGIBECSYJH-FQEVSTJZSA-N 1 0 439.468 3.052 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000009275119 556271815 /nfs/dbraw/zinc/27/18/15/556271815.db2.gz DKLAPNQVRGSXKJ-FQEVSTJZSA-N 1 0 439.468 3.052 50 30 IGEARO Cc1ncc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccc(OC(C)C)c2)c(C)n1 ZINC000013732077 556720852 /nfs/dbraw/zinc/72/08/52/556720852.db2.gz AIYPQXKRBKIGHB-OAQYLSRUSA-N 1 0 438.528 3.021 50 30 IGEARO COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1ccccn1 ZINC000013729820 556721362 /nfs/dbraw/zinc/72/13/62/556721362.db2.gz XYKHHJSYOUKHHX-IBGZPJMESA-N 1 0 429.904 3.274 50 30 IGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000019884345 556938282 /nfs/dbraw/zinc/93/82/82/556938282.db2.gz KURHPFKILFCNIB-LJQANCHMSA-N 1 0 427.432 3.264 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(N(C)C)cc2)cc1 ZINC000019928163 556946113 /nfs/dbraw/zinc/94/61/13/556946113.db2.gz UQHUGQFAVSAUHJ-QFIPXVFZSA-N 1 0 437.540 3.291 50 30 IGEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccccc2OC)cc1 ZINC000020171997 556994848 /nfs/dbraw/zinc/99/48/48/556994848.db2.gz FMLPWXCSWWZWFI-QFIPXVFZSA-N 1 0 436.508 3.400 50 30 IGEARO COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@H]3c3ccncc3)oc21 ZINC000020219433 556999611 /nfs/dbraw/zinc/99/96/11/556999611.db2.gz VKRBQYHXPAWTDA-FQEVSTJZSA-N 1 0 435.480 3.366 50 30 IGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1cccc(OC)c1OC ZINC000020219604 556999941 /nfs/dbraw/zinc/99/99/41/556999941.db2.gz RDVFABVUJKOGPQ-FQEVSTJZSA-N 1 0 439.512 3.019 50 30 IGEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(OC)cc2)cc1 ZINC000102508015 557330295 /nfs/dbraw/zinc/33/02/95/557330295.db2.gz ACRPLEYOAMINFS-MOBKVPTQSA-N 1 0 438.524 3.467 50 30 IGEARO Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@@H]1c1cccc(Cl)c1 ZINC000102495757 557335732 /nfs/dbraw/zinc/33/57/32/557335732.db2.gz ZQZAKGYQLUHMCJ-QOJBNDRUSA-N 1 0 438.915 3.279 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(F)cc2)cc1Cl ZINC000102541853 557348414 /nfs/dbraw/zinc/34/84/14/557348414.db2.gz GLYIHIGMVUINKA-WOOAAIBNSA-N 1 0 432.879 3.471 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2OC)cc1C ZINC000102691882 557364326 /nfs/dbraw/zinc/36/43/26/557364326.db2.gz NXLCKPUIZVEMAJ-MOBKVPTQSA-N 1 0 438.524 3.386 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccc2OC)cc1F ZINC000102736098 557373243 /nfs/dbraw/zinc/37/32/43/557373243.db2.gz WGSADLURFBGHAB-JBCNATCCSA-N 1 0 442.487 3.216 50 30 IGEARO COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCC[NH+](C)C)c1OC ZINC000102715663 557374984 /nfs/dbraw/zinc/37/49/84/557374984.db2.gz BSWQAWGPIBCPPP-JBCNATCCSA-N 1 0 438.524 3.386 50 30 IGEARO COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1ccncc1 ZINC000102749108 557379216 /nfs/dbraw/zinc/37/92/16/557379216.db2.gz YWGYWQQWNDAYTC-LFVOPCPISA-N 1 0 429.904 3.117 50 30 IGEARO Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1cccc(Cl)c1 ZINC000102737682 557379944 /nfs/dbraw/zinc/37/99/44/557379944.db2.gz LPKSOHBYQSWQKJ-WOOAAIBNSA-N 1 0 430.936 3.064 50 30 IGEARO COc1ccccc1[C@H]1C(C(=O)c2sc(C)nc2C)=C(O)C(=O)N1CCC[NH+](C)C ZINC000102875844 557397269 /nfs/dbraw/zinc/39/72/69/557397269.db2.gz XWDXMAKGTDMBDS-GHNGSUTGSA-N 1 0 429.542 3.142 50 30 IGEARO CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000102857486 557398860 /nfs/dbraw/zinc/39/88/60/557398860.db2.gz KVDDOKMYZXKOJF-HOGKFDNTSA-N 1 0 438.524 3.467 50 30 IGEARO CCCOc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000102857490 557398888 /nfs/dbraw/zinc/39/88/88/557398888.db2.gz KVDDOKMYZXKOJF-MOBKVPTQSA-N 1 0 438.524 3.467 50 30 IGEARO O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000104228551 557453414 /nfs/dbraw/zinc/45/34/14/557453414.db2.gz VMHSEZMAULQVRJ-MRJHHRETSA-N 1 0 440.927 3.484 50 30 IGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1cccc(O)c1 ZINC000016731302 568792512 /nfs/dbraw/zinc/79/25/12/568792512.db2.gz HAXZAWWMKMPLMU-OAQYLSRUSA-N 1 0 442.487 3.460 50 30 IGEARO COc1ccccc1N1CCN([C@@H]2CCC[N@H+](Cc3ccc(C#CCCO)cc3)C2)CC1 ZINC000019794484 568855183 /nfs/dbraw/zinc/85/51/83/568855183.db2.gz YAKDAHJNUUCLPI-RUZDIDTESA-N 1 0 433.596 3.216 50 30 IGEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000020133656 569335579 /nfs/dbraw/zinc/33/55/79/569335579.db2.gz OPQZHMUXENLHQT-HXUWFJFHSA-N 1 0 435.436 3.481 50 30 IGEARO CCOC(=O)c1cc(C(=O)OCC)c(N=NC2CC[NH+](Cc3ccccc3)CC2)[nH]c1=O ZINC000008781933 569475733 /nfs/dbraw/zinc/47/57/33/569475733.db2.gz SNQHPWSPDRVJJA-UHFFFAOYSA-N 1 0 440.500 3.205 50 30 IGEARO COc1ccc(OC)c([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000008905508 569484616 /nfs/dbraw/zinc/48/46/16/569484616.db2.gz KCUAIRMORGPZOA-WOOAAIBNSA-N 1 0 430.526 3.139 50 30 IGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1cc(OC)ccc1OC ZINC000009065202 569499695 /nfs/dbraw/zinc/49/96/95/569499695.db2.gz MCXHSCOXKYTKAS-JBCNATCCSA-N 1 0 442.512 3.450 50 30 IGEARO Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@H]1c1ccc(C)cc1 ZINC000009270618 569517630 /nfs/dbraw/zinc/51/76/30/569517630.db2.gz ZBODQABTDIIJRY-PGVNHDJNSA-N 1 0 432.524 3.243 50 30 IGEARO C#CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)noc1N(CC)CC)C[C@@H]1CCCO1 ZINC000036245896 518302507 /nfs/dbraw/zinc/30/25/07/518302507.db2.gz NFBPLVVTNWPSNV-VXKWHMMOSA-N 1 0 441.572 3.180 50 30 IGEARO C=C(C)COc1ccc2nc(C)n(-c3ccc(C(=O)NCCC[NH+](C)C)cc3)c(=O)c2c1 ZINC000020716453 518617840 /nfs/dbraw/zinc/61/78/40/518617840.db2.gz WNAYBCNPEQPACX-UHFFFAOYSA-N 1 0 434.540 3.331 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(N(C)C)cc2)cc1 ZINC000008996902 523369597 /nfs/dbraw/zinc/36/95/97/523369597.db2.gz NNMPZYSEJPKTOD-HOGKFDNTSA-N 1 0 437.540 3.135 50 30 IGEARO COc1ccc(N2C(=O)C[n+]3ccccc3[C@@H]2C(=O)Nc2c(C)cccc2C)c(OC)c1 ZINC000013367015 524393076 /nfs/dbraw/zinc/39/30/76/524393076.db2.gz OFZLYSGHLXWJFI-XMMPIXPASA-O 1 0 432.500 3.335 50 30 IGEARO COC(=O)[C@H](CCSC)NC(=O)c1ccc(NC[C@@H]([NH3+])CS)cc1-c1ccccc1 ZINC000003821325 555946885 /nfs/dbraw/zinc/94/68/85/555946885.db2.gz GKFPROVOIQKYTO-UZLBHIALSA-N 1 0 447.626 3.047 50 30 in-vitro IGEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(Cl)cc1 ZINC000008740610 556206151 /nfs/dbraw/zinc/20/61/51/556206151.db2.gz YMPUGCWPPGLAPS-YDJIHCHBSA-N 1 0 442.899 3.095 50 30 IGEARO CCc1ccc(OCC(=O)ONC(=[NH2+])Cc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000013880366 556325659 /nfs/dbraw/zinc/32/56/59/556325659.db2.gz GKRMSSKBVWXXPE-UHFFFAOYSA-N 1 0 436.262 3.357 50 30 IGEARO Cc1cc(OCC(=O)ONC(=[NH2+])Cc2ccc([N+](=O)[O-])cc2)cc(C)c1Br ZINC000016192712 556588785 /nfs/dbraw/zinc/58/87/85/556588785.db2.gz CERGQJZVJPUENQ-UHFFFAOYSA-N 1 0 436.262 3.411 50 30 IGEARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH+]4CCN(c5ccc(F)cc5)CC4)[C@H]3[C@@H]3O[C@]312 ZINC000061996980 556767020 /nfs/dbraw/zinc/76/70/20/556767020.db2.gz GLDVVYYHWZCHSJ-YZASHPNZSA-N 1 0 428.548 3.473 50 30 IGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000019882655 556937619 /nfs/dbraw/zinc/93/76/19/556937619.db2.gz SVCUIUOWNGGEDL-LJQANCHMSA-N 1 0 427.432 3.264 50 30 IGEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc(Cl)c1 ZINC000019897772 556940983 /nfs/dbraw/zinc/94/09/83/556940983.db2.gz NGLYRQGVSHDDGJ-HXUWFJFHSA-N 1 0 442.899 3.251 50 30 IGEARO COc1ccc(OC)c([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000020136242 556988391 /nfs/dbraw/zinc/98/83/91/556988391.db2.gz FWKHSAQVQNTSCY-IBGZPJMESA-N 1 0 430.526 3.295 50 30 IGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccs1 ZINC000020219343 556999538 /nfs/dbraw/zinc/99/95/38/556999538.db2.gz FFYMKLIKDJYANL-IBGZPJMESA-N 1 0 428.510 3.049 50 30 IGEARO CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC ZINC000020264220 557004379 /nfs/dbraw/zinc/00/43/79/557004379.db2.gz GLLDUDUWIKMEJX-FQEVSTJZSA-N 1 0 428.485 3.217 50 30 IGEARO Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@@H]1c1ccc(F)cc1 ZINC000102541395 557348139 /nfs/dbraw/zinc/34/81/39/557348139.db2.gz SUDOJMCQYHKZNF-QOJBNDRUSA-N 1 0 436.487 3.074 50 30 IGEARO Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1cccc(Cl)c1 ZINC000102737684 557379801 /nfs/dbraw/zinc/37/98/01/557379801.db2.gz LPKSOHBYQSWQKJ-LFVOPCPISA-N 1 0 430.936 3.064 50 30 IGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(O)cc1 ZINC000102858709 557399454 /nfs/dbraw/zinc/39/94/54/557399454.db2.gz OTCSUPWDNDNPSN-MOBKVPTQSA-N 1 0 438.524 3.473 50 30 IGEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccncc2)cc1Cl ZINC000102883077 557408686 /nfs/dbraw/zinc/40/86/86/557408686.db2.gz XFKUCJKQHGMNHB-WOOAAIBNSA-N 1 0 429.904 3.117 50 30 IGEARO CCN1CCN(C(=S)Nc2ccc3nc(N4CC[NH+](CC)CC4)cc(C)c3c2)CC1 ZINC000008682872 562961748 /nfs/dbraw/zinc/96/17/48/562961748.db2.gz FGXORRWTASCLIV-UHFFFAOYSA-N 1 0 426.634 3.240 50 30 IGEARO Cc1cccc(C)c1NC(=O)[C@@H]1c2cccc[n+]2CC(=O)N1Cc1ccc2c(c1)OCO2 ZINC000013367012 562985757 /nfs/dbraw/zinc/98/57/57/562985757.db2.gz QPYSPNDXLASVMJ-DEOSSOPVSA-O 1 0 430.484 3.042 50 30 IGEARO O=C(Nc1ccc(Cl)cc1)[C@H]1c2cccc[n+]2CC(=O)N1Cc1ccc2c(c1)OCO2 ZINC000013366997 562985798 /nfs/dbraw/zinc/98/57/98/562985798.db2.gz JAMDQDFKKBOIRB-JOCHJYFZSA-O 1 0 436.875 3.078 50 30 IGEARO C=CCN1c2ccccc2[C@@]2([NH2+][C@@H](CC(C)C)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]32)C1=O ZINC000017167288 568851222 /nfs/dbraw/zinc/85/12/22/568851222.db2.gz GZLMWBMCALCJPM-IFXCNKOCSA-N 1 0 429.520 3.238 50 30 IGEARO C#CCn1c(=O)c(C[NH2+]CC2(N3CCOCC3)CCCCC2)cc2ccc(Cl)cc21 ZINC000023362153 568859643 /nfs/dbraw/zinc/85/96/43/568859643.db2.gz BEMVBRBFGAFAIL-UHFFFAOYSA-N 1 0 427.976 3.413 50 30 IGEARO CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CC[NH+](C)C)cc1OC ZINC000020262984 569358406 /nfs/dbraw/zinc/35/84/06/569358406.db2.gz CPOUIRGXVPOKDR-LJQANCHMSA-N 1 0 430.526 3.295 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc(F)c2)cc1Cl ZINC000008919063 569486410 /nfs/dbraw/zinc/48/64/10/569486410.db2.gz JJMQJRVZTFUNFU-WOOAAIBNSA-N 1 0 432.879 3.471 50 30 IGEARO COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000009015297 569496672 /nfs/dbraw/zinc/49/66/72/569496672.db2.gz BOLUAHJTTSXMQB-OYHNWAKOSA-N 1 0 436.508 3.159 50 30 IGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1ccc(Br)cc1 ZINC000009236272 569514126 /nfs/dbraw/zinc/51/41/26/569514126.db2.gz AKFSWZYZKVQPLR-SELCWUDQSA-N 1 0 444.329 3.218 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccncc2)cc1Cl ZINC000009273376 569518093 /nfs/dbraw/zinc/51/80/93/569518093.db2.gz NDUAKGBXIMPKCI-WOOAAIBNSA-N 1 0 429.904 3.117 50 30 IGEARO Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)s1 ZINC000009301882 569520758 /nfs/dbraw/zinc/52/07/58/569520758.db2.gz WUKGXAQTFWADFN-QGZVFWFLSA-N 1 0 444.513 3.198 50 30 IGEARO COc1ccc(C(=O)C[n+]2cc(Br)cc(Br)c2)cc1[N+](=O)[O-] ZINC000019878753 569587020 /nfs/dbraw/zinc/58/70/20/569587020.db2.gz NRFONXHHVRUNSN-UHFFFAOYSA-N 1 0 431.060 3.299 50 30 IGEARO C#CCOC[C@@H](O)C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146569 518304994 /nfs/dbraw/zinc/30/49/94/518304994.db2.gz KUWPMXAOQKEIJM-VXKWHMMOSA-N 1 0 430.907 3.485 50 30 IGEARO C#CCOC[C@@H](O)C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000036146731 518306463 /nfs/dbraw/zinc/30/64/63/518306463.db2.gz QMWDHTUKPBFFIW-PMACEKPBSA-N 1 0 430.907 3.485 50 30 IGEARO C=CCOC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000036146998 518988898 /nfs/dbraw/zinc/98/88/98/518988898.db2.gz MOXUAYSXJSMMAN-SFTDATJTSA-N 1 0 442.487 3.113 50 30 IGEARO C=CCOc1ccccc1C[NH+]1CCC([C@@]2(Cc3ccccc3F)NC(=O)NC2=O)CC1 ZINC000012160837 519070413 /nfs/dbraw/zinc/07/04/13/519070413.db2.gz VLPIKHUCJMVGEJ-RUZDIDTESA-N 1 0 437.515 3.423 50 30 IGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1ccncc1 ZINC000102875659 520599998 /nfs/dbraw/zinc/59/99/98/520599998.db2.gz PFRUIBXDGRBZJJ-GHNGSUTGSA-N 1 0 428.558 3.309 50 30 IGEARO CCOc1cc(C(=O)ONC(=[NH2+])Cc2ccc([N+](=O)[O-])cc2)cc(OCC)c1OCC ZINC000010039077 520671177 /nfs/dbraw/zinc/67/11/77/520671177.db2.gz OZHBRBDKMUQFMB-UHFFFAOYSA-N 1 0 431.445 3.463 50 30 IGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccs1 ZINC000016741542 556635400 /nfs/dbraw/zinc/63/54/00/556635400.db2.gz MCKSJNKOYSIDFR-HXUWFJFHSA-N 1 0 442.537 3.439 50 30 IGEARO C[C@]12CCC[C@]3(CO3)[C@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1C[NH+]1CCN(c2ccccc2F)CC1 ZINC000061997026 556767519 /nfs/dbraw/zinc/76/75/19/556767519.db2.gz NTIBRLUAJIGIPI-SKXAMRRESA-N 1 0 428.548 3.475 50 30 IGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)O[C@H](C)C3)[C@H]1c1ccncc1 ZINC000019861502 556933736 /nfs/dbraw/zinc/93/37/36/556933736.db2.gz DYXWJCDPHQPLEQ-OPAMFIHVSA-N 1 0 435.524 3.325 50 30 IGEARO COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC ZINC000019927966 556946161 /nfs/dbraw/zinc/94/61/61/556946161.db2.gz NZNHBZWRPQRDJM-NRFANRHFSA-N 1 0 442.487 3.373 50 30 IGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccccc1F ZINC000020219314 556999593 /nfs/dbraw/zinc/99/95/93/556999593.db2.gz IEGAXJLXQHDSFR-NRFANRHFSA-N 1 0 440.471 3.127 50 30 IGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1cc(OC)ccc1OC ZINC000020265005 557004274 /nfs/dbraw/zinc/00/42/74/557004274.db2.gz XSFOEZKXPIVAMS-FQEVSTJZSA-N 1 0 428.485 3.217 50 30 IGEARO Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@H]1c1cccnc1 ZINC000102169274 557313749 /nfs/dbraw/zinc/31/37/49/557313749.db2.gz YFRSFMGQKCGBTK-MOBKVPTQSA-N 1 0 437.540 3.408 50 30 IGEARO COc1ccc([C@@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000102749587 557379237 /nfs/dbraw/zinc/37/92/37/557379237.db2.gz ZWUUOOVHAJHLDP-JBCNATCCSA-N 1 0 442.487 3.216 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc(F)c2)cc1F ZINC000102737795 557379939 /nfs/dbraw/zinc/37/99/39/557379939.db2.gz LFVXYMYSOHGDNK-YDJIHCHBSA-N 1 0 430.451 3.347 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccs2)c(OC)c1 ZINC000102739062 557380180 /nfs/dbraw/zinc/38/01/80/557380180.db2.gz YFCIIWIXMDBEEJ-LFVOPCPISA-N 1 0 430.526 3.139 50 30 IGEARO COc1cccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000102875176 557396814 /nfs/dbraw/zinc/39/68/14/557396814.db2.gz DATCASNBGRYLHJ-SELCWUDQSA-N 1 0 429.542 3.142 50 30 IGEARO Cc1c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccccc2)cnn1-c1ccccc1 ZINC000009236107 562968322 /nfs/dbraw/zinc/96/83/22/562968322.db2.gz IPWZJFBKKCYLCR-JOCHJYFZSA-N 1 0 430.508 3.321 50 30 IGEARO C=CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@@H]1CCCC[N@@H+]12 ZINC000015021618 568828050 /nfs/dbraw/zinc/82/80/50/568828050.db2.gz JNHADTJUPUDAGI-MSZDEVHKSA-N 1 0 427.504 3.088 50 30 IGEARO C[C@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000170597297 569142049 /nfs/dbraw/zinc/14/20/49/569142049.db2.gz MWWWFEJFGHWCNM-LJQANCHMSA-N 1 0 428.540 3.483 50 30 IGEARO COc1ccc(OC)c(-c2csc(C3=C(N)N(CC[C@H]4CCC[N@@H+]4C)[C@H](C)C3=O)n2)c1 ZINC000253388915 569264249 /nfs/dbraw/zinc/26/42/49/569264249.db2.gz AHTWJWHMEYZGSU-HUUCEWRRSA-N 1 0 442.585 3.212 50 30 IGEARO C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000078714348 569318418 /nfs/dbraw/zinc/31/84/18/569318418.db2.gz GNEUMOSSHOAWLL-UHFFFAOYSA-N 1 0 427.448 3.209 50 30 IGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2c(C)nc3ccccn32)[C@H]1c1ccncc1 ZINC000020219804 569356779 /nfs/dbraw/zinc/35/67/79/569356779.db2.gz BLIZMDAYYGBTSZ-JOCHJYFZSA-N 1 0 447.539 3.348 50 30 IGEARO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000040108351 569488589 /nfs/dbraw/zinc/48/85/89/569488589.db2.gz VKRZKFBKWQCIAF-QFIPXVFZSA-N 1 0 436.531 3.140 50 30 IGEARO Cc1oc(-c2nc(C#N)c(NCCC[NH+](C)C)o2)cc1S(=O)(=O)N1CCCCCC1 ZINC000040268147 569497553 /nfs/dbraw/zinc/49/75/53/569497553.db2.gz PWWHKQPJABPYAD-UHFFFAOYSA-N 1 0 435.550 3.043 50 30 IGEARO COc1ccc2c(c1)[nH]c1c2ncn(/N=C/c2ccc(OC)c(C[NH+]3CCCC3)c2)c1=O ZINC000009087091 569500784 /nfs/dbraw/zinc/50/07/84/569500784.db2.gz RYJRGSLJJCYMIZ-LGJNPRDNSA-N 1 0 431.496 3.373 50 30 IGEARO Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1ccccc1F ZINC000009178054 569509801 /nfs/dbraw/zinc/50/98/01/569509801.db2.gz GIZNXTNMXJGCHJ-NRFANRHFSA-N 1 0 436.487 3.312 50 30 IGEARO C#CCOC[C@@H](O)C[N@@H+](CCCOC)Cc1c(-c2ccccc2)noc1N1CCCCC1 ZINC000036313028 518297617 /nfs/dbraw/zinc/29/76/17/518297617.db2.gz WZULRBCIXDOZRJ-QFIPXVFZSA-N 1 0 441.572 3.181 50 30 IGEARO C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000022275827 519042797 /nfs/dbraw/zinc/04/27/97/519042797.db2.gz VGKCNJSBKSMGIE-JOCHJYFZSA-N 1 0 436.508 3.400 50 30 IGEARO CC(=O)Nc1ccc(N2C(=O)C[n+]3ccccc3[C@@H]2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000013366948 519721216 /nfs/dbraw/zinc/72/12/16/519721216.db2.gz KLAOTVVEXXJHQU-JOCHJYFZSA-O 1 0 435.891 3.313 50 30 IGEARO CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)N(C)CCC#N)[NH+](C)C ZINC000048333509 519815102 /nfs/dbraw/zinc/81/51/02/519815102.db2.gz DMMYAJYBZZRCFL-SFHVURJKSA-N 1 0 435.421 3.472 50 30 IGEARO C=CCC[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)Nc3ccc(F)c(Cl)c3)co2)CC1 ZINC000034677511 555795836 /nfs/dbraw/zinc/79/58/36/555795836.db2.gz MNHZTFFLPJMCKN-MRXNPFEDSA-N 1 0 436.915 3.164 50 30 IGEARO CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000008743678 556208098 /nfs/dbraw/zinc/20/80/98/556208098.db2.gz SMLARPAUGADJCB-MOBKVPTQSA-N 1 0 438.524 3.467 50 30 IGEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccnc2)cc1Cl ZINC000009007837 556240189 /nfs/dbraw/zinc/24/01/89/556240189.db2.gz DVHKBPQABAUESN-IBGZPJMESA-N 1 0 429.904 3.274 50 30 IGEARO COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1OC ZINC000017888549 556680240 /nfs/dbraw/zinc/68/02/40/556680240.db2.gz JKMKVHJUGQLWCP-FQEVSTJZSA-N 1 0 444.915 3.497 50 30 IGEARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH+]4CCN(c5ccccc5F)CC4)[C@H]3[C@@H]3O[C@]312 ZINC000061996968 556767109 /nfs/dbraw/zinc/76/71/09/556767109.db2.gz KIZXOVDPLWWWDO-UOQBNXIZSA-N 1 0 428.548 3.473 50 30 IGEARO COc1ccccc1N1CC[NH+](C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@@]45O[C@H]5[C@@H]32)CC1 ZINC000061992854 556767183 /nfs/dbraw/zinc/76/71/83/556767183.db2.gz PMFYPFTXEUCBCZ-ONPAYWGESA-N 1 0 440.584 3.343 50 30 IGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccs1 ZINC000020219344 556999563 /nfs/dbraw/zinc/99/95/63/556999563.db2.gz FFYMKLIKDJYANL-LJQANCHMSA-N 1 0 428.510 3.049 50 30 IGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc(F)c1 ZINC000020229307 557001731 /nfs/dbraw/zinc/00/17/31/557001731.db2.gz USRQWQABRRJWSW-NRFANRHFSA-N 1 0 440.471 3.127 50 30 IGEARO COc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CC[NH+](C)C)ccc1O ZINC000024193016 557140501 /nfs/dbraw/zinc/14/05/01/557140501.db2.gz LWYIZEARZQGICZ-NRFANRHFSA-N 1 0 436.464 3.287 50 30 IGEARO Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1cccs1 ZINC000102516988 557350700 /nfs/dbraw/zinc/35/07/00/557350700.db2.gz QWMFWRGUUXELAV-WENBPLFZSA-N 1 0 438.553 3.386 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc(F)c2)c(OC)c1 ZINC000102749686 557379123 /nfs/dbraw/zinc/37/91/23/557379123.db2.gz QUXGLZYSGFDMGB-JBCNATCCSA-N 1 0 442.487 3.216 50 30 IGEARO Cc1c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccccc2F)cnn1-c1ccccc1 ZINC000102862842 557403210 /nfs/dbraw/zinc/40/32/10/557403210.db2.gz UHIFNVYCRFERIK-MOBKVPTQSA-N 1 0 448.498 3.303 50 30 IGEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccnc2)cc1Cl ZINC000102879752 557407489 /nfs/dbraw/zinc/40/74/89/557407489.db2.gz JDEDNGIVKAVBJS-LFVOPCPISA-N 1 0 429.904 3.117 50 30 IGEARO C=CCOc1ccccc1C[N@H+]1CCc2nnc(CNC(=O)c3cc(C)oc3C)n2CC1 ZINC000014977126 568827873 /nfs/dbraw/zinc/82/78/73/568827873.db2.gz BLWVUHQOMWWCPU-UHFFFAOYSA-N 1 0 435.528 3.041 50 30 IGEARO C=CCN1c2ccccc2[C@@]2([NH2+][C@H](CC(C)C)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1=O ZINC000015276065 568828268 /nfs/dbraw/zinc/82/82/68/568828268.db2.gz AAPFVZOGMOQGDV-BYQMVHIGSA-N 1 0 443.547 3.234 50 30 IGEARO C=CCN1c2ccccc2[C@@]2([NH2+][C@H](CC)[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]32)C1=O ZINC000017167282 568851305 /nfs/dbraw/zinc/85/13/05/568851305.db2.gz JACYHYKXQAODKK-HMSHQKHKSA-N 1 0 435.911 3.256 50 30 IGEARO C[NH+](C)CCCNc1oc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)nc1C#N ZINC000036627775 569126301 /nfs/dbraw/zinc/12/63/01/569126301.db2.gz MXHQVLDHEOWSSO-UHFFFAOYSA-N 1 0 431.562 3.142 50 30 IGEARO C[C@@H]1CC[C@@H]2[C@H](C[NH+]3CCN(c4ccccc4F)CC3)C(=O)O[C@@]23[C@H]2O[C@@]2(C)CC[C@H]13 ZINC000253487936 569283195 /nfs/dbraw/zinc/28/31/95/569283195.db2.gz UDPFOMKNYCYJOB-DJRCHISHSA-N 1 0 428.548 3.473 50 30 IGEARO COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@H]3c3ccncc3)oc21 ZINC000008817858 569476933 /nfs/dbraw/zinc/47/69/33/569476933.db2.gz WULZDBUHNMLIEU-NHFXJNLRSA-N 1 0 435.480 3.210 50 30 IGEARO Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1ccc(C)cc1 ZINC000008836673 569478096 /nfs/dbraw/zinc/47/80/96/569478096.db2.gz ISQGXMBGDIEIJG-IAMBOQNYSA-N 1 0 432.524 3.325 50 30 IGEARO CCOc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000008837055 569478172 /nfs/dbraw/zinc/47/81/72/569478172.db2.gz RULLBMNULHMIBC-SELCWUDQSA-N 1 0 429.542 3.142 50 30 IGEARO CC[NH+](CC)CCOc1ccc(CNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc1OC ZINC000040151670 569493318 /nfs/dbraw/zinc/49/33/18/569493318.db2.gz KPSFIZYGDSJJDH-GOSISDBHSA-N 1 0 425.529 3.371 50 30 IGEARO CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CC[NH+](C)C)cc1OC ZINC000009068943 569500034 /nfs/dbraw/zinc/50/00/34/569500034.db2.gz BIFULKWLSFJNHG-WOOAAIBNSA-N 1 0 430.526 3.139 50 30 IGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1ccc(Br)cc1 ZINC000009236278 569514161 /nfs/dbraw/zinc/51/41/61/569514161.db2.gz AKFSWZYZKVQPLR-GHNGSUTGSA-N 1 0 444.329 3.218 50 30 IGEARO C=C(C)COc1ccc2nc(C)n(-c3cccc(C(=O)NCCC[NH+](C)C)c3)c(=O)c2c1 ZINC000020739712 518617954 /nfs/dbraw/zinc/61/79/54/518617954.db2.gz FUEZKKSOFZJCLG-UHFFFAOYSA-N 1 0 434.540 3.331 50 30 IGEARO C=CCC[C@@H](O)C[NH+]1CCN(c2nc(C)nc(C)c2Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000036340240 518721636 /nfs/dbraw/zinc/72/16/36/518721636.db2.gz HXDLUJIHPJYFNA-OAQYLSRUSA-N 1 0 425.533 3.042 50 30 IGEARO C=CCOC[C@H](O)C[N@@H+](CCOC)Cc1c(-c2ccccc2)noc1N1CCCCC1 ZINC000036312977 518991412 /nfs/dbraw/zinc/99/14/12/518991412.db2.gz JBQDZQIGWJBDAK-OAQYLSRUSA-N 1 0 429.561 3.344 50 30 IGEARO COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1ccccc1OC ZINC000013686023 524297329 /nfs/dbraw/zinc/29/73/29/524297329.db2.gz JGTJAQDAYGVUBL-NRFANRHFSA-N 1 0 442.487 3.373 50 30 IGEARO Cc1c(C)n(CC[NH+](C)C)c2ncn3nc(CO/N=C/c4ccccc4Cl)nc3c12 ZINC000013624087 525682564 /nfs/dbraw/zinc/68/25/64/525682564.db2.gz NWVUYXIVQLLAOE-BHGWPJFGSA-N 1 0 425.924 3.462 50 30 IGEARO Cc1c(C)n(CC[NH+](C)C)c2ncn3nc(CO/N=C/c4ccc(Cl)cc4)nc3c12 ZINC000013607872 525684095 /nfs/dbraw/zinc/68/40/95/525684095.db2.gz SWEDMIZGFRPFDI-BHGWPJFGSA-N 1 0 425.924 3.462 50 30 IGEARO Cc1c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccncc2)cnn1-c1ccccc1 ZINC000004042224 555955124 /nfs/dbraw/zinc/95/51/24/555955124.db2.gz YSJSVQQTJGSLKZ-JOCHJYFZSA-N 1 0 445.523 3.106 50 30 IGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccccc1 ZINC000016741545 556635360 /nfs/dbraw/zinc/63/53/60/556635360.db2.gz WCFVUXQCQCRVMD-QFIPXVFZSA-N 1 0 436.508 3.378 50 30 IGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccs1 ZINC000016741541 556635407 /nfs/dbraw/zinc/63/54/07/556635407.db2.gz MCKSJNKOYSIDFR-FQEVSTJZSA-N 1 0 442.537 3.439 50 30 IGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000019882653 556937651 /nfs/dbraw/zinc/93/76/51/556937651.db2.gz SVCUIUOWNGGEDL-IBGZPJMESA-N 1 0 427.432 3.264 50 30 IGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000019884343 556938307 /nfs/dbraw/zinc/93/83/07/556938307.db2.gz KURHPFKILFCNIB-IBGZPJMESA-N 1 0 427.432 3.264 50 30 IGEARO COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000020228798 557001347 /nfs/dbraw/zinc/00/13/47/557001347.db2.gz QFBGDSLFVFEWQZ-HXUWFJFHSA-N 1 0 444.915 3.497 50 30 IGEARO CCOC(=O)c1ccc(NC(=NC)S[C@H]2CC(=O)N(c3ccccc3F)C2=O)cc1 ZINC000100651650 557267542 /nfs/dbraw/zinc/26/75/42/557267542.db2.gz JBGLIEKMJFIBMM-KRWDZBQOSA-N 1 0 429.473 3.275 50 30 IGEARO Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@@H]1c1cccnc1 ZINC000102169277 557313940 /nfs/dbraw/zinc/31/39/40/557313940.db2.gz YFRSFMGQKCGBTK-HOGKFDNTSA-N 1 0 437.540 3.408 50 30 IGEARO Cc1cc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccnc2)ccc1OCC(C)C ZINC000102175555 557314304 /nfs/dbraw/zinc/31/43/04/557314304.db2.gz ZNVFCFAXYHSCLZ-MOBKVPTQSA-N 1 0 437.540 3.408 50 30 IGEARO Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@H]1c1cccc(Cl)c1 ZINC000102495748 557335681 /nfs/dbraw/zinc/33/56/81/557335681.db2.gz ZQZAKGYQLUHMCJ-ASBZNUFUSA-N 1 0 438.915 3.279 50 30 IGEARO COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000102519578 557351076 /nfs/dbraw/zinc/35/10/76/557351076.db2.gz NTRPKEYPKMGWGV-MOBKVPTQSA-N 1 0 438.524 3.386 50 30 IGEARO Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1ccc(F)cc1 ZINC000102524785 557353086 /nfs/dbraw/zinc/35/30/86/557353086.db2.gz HSFRLIBWHLLFOZ-PGVNHDJNSA-N 1 0 436.487 3.155 50 30 IGEARO C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]3c3cccc(O)c3)ccc2O1 ZINC000102645927 557363978 /nfs/dbraw/zinc/36/39/78/557363978.db2.gz XMFMLDHMIUKMHT-IUOUCKIRSA-N 1 0 436.508 3.089 50 30 IGEARO COc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000102751933 557383070 /nfs/dbraw/zinc/38/30/70/557383070.db2.gz CYRWZWNCTFNACN-JBCNATCCSA-N 1 0 442.487 3.216 50 30 IGEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH2+]CCO)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000025180085 557529154 /nfs/dbraw/zinc/52/91/54/557529154.db2.gz HEZBOSWZGWWDMH-JOCHJYFZSA-N 1 0 436.552 3.453 50 30 IGEARO C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH2+]Cc1cccc(F)c1F)C2 ZINC000014537733 568826311 /nfs/dbraw/zinc/82/63/11/568826311.db2.gz YEAARDMTUUJMGM-INIZCTEOSA-N 1 0 432.540 3.183 50 30 IGEARO C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([N@@H+](C)Cc1cccc(OC)c1)C2 ZINC000014536768 568826389 /nfs/dbraw/zinc/82/63/89/568826389.db2.gz OAPYNCHIOZHRIK-IBGZPJMESA-N 1 0 440.613 3.256 50 30 IGEARO C=C(Cl)Cn1c2cc3c(cc2cc(C[NH2+]C2CCN(C(=O)OCC)CC2)c1=O)OCO3 ZINC000014885939 568827466 /nfs/dbraw/zinc/82/74/66/568827466.db2.gz PEBULAUQGBTNBS-UHFFFAOYSA-N 1 0 447.919 3.193 50 30 IGEARO C=CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000169677513 568883605 /nfs/dbraw/zinc/88/36/05/568883605.db2.gz DHCBSMYGKSBTBC-IRLDBZIGSA-N 1 0 440.931 3.414 50 30 IGEARO CC(=O)N(CC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CCCOc2cccc(C#N)c2)CC1 ZINC000170616785 569146696 /nfs/dbraw/zinc/14/66/96/569146696.db2.gz CMEBCGWOIRFTQC-NRFANRHFSA-N 1 0 429.561 3.372 50 30 IGEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1F ZINC000023230421 569180045 /nfs/dbraw/zinc/18/00/45/569180045.db2.gz GXXDOLKGXNPKPS-LJQANCHMSA-N 1 0 427.432 3.182 50 30 IGEARO COc1ccccc1N1CC[NH+](C[C@@H]2C(=O)O[C@@]34[C@H]5O[C@@]5(C)CC[C@@H]3[C@@H](C)CC[C@@H]24)CC1 ZINC000253487888 569283027 /nfs/dbraw/zinc/28/30/27/569283027.db2.gz SRNHEUPEANGIAG-FKJRKNKVSA-N 1 0 440.584 3.343 50 30 IGEARO COc1ccc(N2C(=O)C[n+]3ccccc3[C@@H]2C(=O)Nc2ccc(Cl)cc2)c(OC)c1 ZINC000020322554 569360314 /nfs/dbraw/zinc/36/03/14/569360314.db2.gz UOYRTZLQSOBUQN-JOCHJYFZSA-O 1 0 438.891 3.371 50 30 IGEARO CSc1nc(N2CCN(CC[NH+]3CCCCC3)CC2)c2c(c1C#N)CC(C)(C)OC2 ZINC000095473673 569372489 /nfs/dbraw/zinc/37/24/89/569372489.db2.gz BZVHVPUBNZQLEY-UHFFFAOYSA-N 1 0 429.634 3.134 50 30 IGEARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(c5ccc(F)cc5)CC4)[C@H]3[C@@H]3O[C@]312 ZINC000059410341 569461186 /nfs/dbraw/zinc/46/11/86/569461186.db2.gz GLDVVYYHWZCHSJ-XHWGUPKXSA-N 1 0 428.548 3.473 50 30 IGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1cccnc1 ZINC000020029337 520602534 /nfs/dbraw/zinc/60/25/34/520602534.db2.gz XWOZZLMWCKTTOW-OAQYLSRUSA-N 1 0 437.496 3.121 50 30 IGEARO CN(Cc1ccccc1)S(=O)(=O)c1ccc(-c2nc(C#N)c(NCC[NH+](C)C)o2)cc1 ZINC000012421325 521792586 /nfs/dbraw/zinc/79/25/86/521792586.db2.gz OIXOBEYHEGEQFY-UHFFFAOYSA-N 1 0 439.541 3.007 50 30 IGEARO COc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCC[NH+](C)C)c(OC)c1 ZINC000012619348 525392337 /nfs/dbraw/zinc/39/23/37/525392337.db2.gz PVPXCXFPNOKGRN-IBGZPJMESA-N 1 0 430.526 3.295 50 30 IGEARO COc1ccc(C(=O)C[n+]2ccc3c(c2)nc(-c2cc(OC)c(OC)cc2OC)n3C)cc1 ZINC000008642695 556195405 /nfs/dbraw/zinc/19/54/05/556195405.db2.gz SBBBWVDQOUZWPX-UHFFFAOYSA-N 1 0 448.499 3.445 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1C ZINC000008837604 556225920 /nfs/dbraw/zinc/22/59/20/556225920.db2.gz KBQJHAYYSSNOOE-HXUWFJFHSA-N 1 0 439.468 3.052 50 30 IGEARO [NH2+]=C(Cc1ccc([N+](=O)[O-])cc1)NOC(=O)COc1ccc(Cl)cc1Br ZINC000016294390 556598874 /nfs/dbraw/zinc/59/88/74/556598874.db2.gz XCBMRCPATVKEPL-UHFFFAOYSA-N 1 0 442.653 3.448 50 30 IGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1cccnc1 ZINC000016734264 556632869 /nfs/dbraw/zinc/63/28/69/556632869.db2.gz LRKSMHYUOZZCLS-OAQYLSRUSA-N 1 0 439.512 3.019 50 30 IGEARO COc1cccc([C@@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000013728527 556721267 /nfs/dbraw/zinc/72/12/67/556721267.db2.gz VHVWSMHYMHLDAJ-OAQYLSRUSA-N 1 0 442.487 3.373 50 30 IGEARO CC(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCN2CC[NH2+]CC2)cc1 ZINC000019923416 556944349 /nfs/dbraw/zinc/94/43/49/556944349.db2.gz IOIVYBRZBAWISO-HSZRJFAPSA-N 1 0 433.552 3.294 50 30 IGEARO Cc1ccc(NC(=[NH2+])NC2=N[C@@H](CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2)cc1 ZINC000020101147 556980269 /nfs/dbraw/zinc/98/02/69/556980269.db2.gz CAXKVSXYZNGXDS-HNNXBMFYSA-N 1 0 432.406 3.273 50 30 IGEARO CCCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CC[NH+](C)C)cc1OC ZINC000020263572 557004107 /nfs/dbraw/zinc/00/41/07/557004107.db2.gz NRQSSHOEWHLUDQ-HXUWFJFHSA-N 1 0 428.485 3.217 50 30 IGEARO C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000101313510 557272069 /nfs/dbraw/zinc/27/20/69/557272069.db2.gz RGJMVOIOSLTJAC-HOGKFDNTSA-N 1 0 436.508 3.243 50 30 IGEARO O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(O)cc1 ZINC000102663832 557361977 /nfs/dbraw/zinc/36/19/77/557361977.db2.gz WJLYSBACXGRQLS-FJLYJQKTSA-N 1 0 448.519 3.092 50 30 IGEARO Cc1cccc(C)c1NC(=O)[C@H]1c2cccc[n+]2CC(=O)N1Cc1ccc2c(c1)OCO2 ZINC000013367009 562985747 /nfs/dbraw/zinc/98/57/47/562985747.db2.gz QPYSPNDXLASVMJ-XMMPIXPASA-O 1 0 430.484 3.042 50 30 IGEARO C#CCOC[C@H](O)C[N@@H+](Cc1cccc(OC)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104983910 568622901 /nfs/dbraw/zinc/62/29/01/568622901.db2.gz OFQZXAZXDWSKJE-FYYLOGMGSA-N 1 0 442.943 3.355 50 30 IGEARO C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH2+]Cc1ccc(F)cc1F)C2 ZINC000014732040 568826951 /nfs/dbraw/zinc/82/69/51/568826951.db2.gz LUWJZWGBWMXSAZ-KRWDZBQOSA-N 1 0 432.540 3.183 50 30 IGEARO C=CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]1[C@@H]1CCCC[N@@H+]12 ZINC000248158009 568919113 /nfs/dbraw/zinc/91/91/13/568919113.db2.gz JNHADTJUPUDAGI-YGWSKSRPSA-N 1 0 427.504 3.088 50 30 IGEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000020133652 569335558 /nfs/dbraw/zinc/33/55/58/569335558.db2.gz OPQZHMUXENLHQT-FQEVSTJZSA-N 1 0 435.436 3.481 50 30 IGEARO C[N@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000095410269 569365274 /nfs/dbraw/zinc/36/52/74/569365274.db2.gz COVSBNLOHDOHIG-UHFFFAOYSA-N 1 0 426.540 3.229 50 30 IGEARO COc1cccc(N2CC[NH+](C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@@]6(CO6)[C@@H]5C[C@H]34)CC2)c1 ZINC000059409340 569461240 /nfs/dbraw/zinc/46/12/40/569461240.db2.gz SGDNDBSJHXDOKR-MOHLLJBMSA-N 1 0 440.584 3.344 50 30 IGEARO CCCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](C)C)cc1OC ZINC000008985738 569494807 /nfs/dbraw/zinc/49/48/07/569494807.db2.gz TWSLEUPJDUCVJU-HOGKFDNTSA-N 1 0 438.524 3.467 50 30 IGEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(OC)cc2)cc1 ZINC000009007587 569496195 /nfs/dbraw/zinc/49/61/95/569496195.db2.gz GMFJXSYGWZIQSD-MOBKVPTQSA-N 1 0 436.508 3.243 50 30 IGEARO COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000009041275 569497636 /nfs/dbraw/zinc/49/76/36/569497636.db2.gz FZNJLXJDJVPXDX-NHFXJNLRSA-N 1 0 444.915 3.341 50 30 IGEARO CN(C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)CC(C)(C)[NH2+]C3(C)C)cc1 ZINC000009391512 569528912 /nfs/dbraw/zinc/52/89/12/569528912.db2.gz MLQYIADSNWAROB-UHFFFAOYSA-N 1 0 446.598 3.282 50 30 IGEARO C#CCOC[C@H](O)C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000036146730 518313120 /nfs/dbraw/zinc/31/31/20/518313120.db2.gz QMWDHTUKPBFFIW-UXHICEINSA-N 1 0 430.907 3.485 50 30 IGEARO C=C(C)[C@@H]1CC=C(C[N@H+]2CCc3nnc(CNC(=O)c4ccccc4OC)n3CC2)CC1 ZINC000012206327 518645034 /nfs/dbraw/zinc/64/50/34/518645034.db2.gz BEKMOFRJZKYWPS-HXUWFJFHSA-N 1 0 435.572 3.377 50 30 IGEARO C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000101313512 519059535 /nfs/dbraw/zinc/05/95/35/519059535.db2.gz RGJMVOIOSLTJAC-MOBKVPTQSA-N 1 0 436.508 3.243 50 30 IGEARO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000032777028 519175508 /nfs/dbraw/zinc/17/55/08/519175508.db2.gz ACFHPMBRCZMXRD-UHFFFAOYSA-N 1 0 427.574 3.426 50 30 IGEARO COc1c2c(cc3c1[C@@H](C#CCOc1ccc4ccc(=O)oc4c1)[N+](C)(C)CC3)OCO2 ZINC000012894767 521885709 /nfs/dbraw/zinc/88/57/09/521885709.db2.gz FUFHEHOKQGEYGJ-LJQANCHMSA-N 1 0 434.468 3.286 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000019885736 523551895 /nfs/dbraw/zinc/55/18/95/523551895.db2.gz QUYRCUBSVLJZGJ-HXUWFJFHSA-N 1 0 439.468 3.133 50 30 IGEARO C=CCN1C(=O)c2ccc(C(=O)NC[C@H](c3cccc(OC)c3)[NH+]3CCCC3)cc2C1=O ZINC000032988473 556608765 /nfs/dbraw/zinc/60/87/65/556608765.db2.gz PGTCCYJXJWMJLW-JOCHJYFZSA-N 1 0 433.508 3.044 50 30 IGEARO C[C@@H]1CC[C@H]2[C@H](C[NH+]3CCN(c4ccccc4F)CC3)C(=O)O[C@@]23[C@@H]2O[C@]2(C)CC[C@@H]13 ZINC000061997621 556763714 /nfs/dbraw/zinc/76/37/14/556763714.db2.gz UDPFOMKNYCYJOB-LRCJCSQVSA-N 1 0 428.548 3.473 50 30 IGEARO COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1OC ZINC000019898803 556941157 /nfs/dbraw/zinc/94/11/57/556941157.db2.gz JKMKVHJUGQLWCP-HXUWFJFHSA-N 1 0 444.915 3.497 50 30 IGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1cccnc1 ZINC000020029336 556968381 /nfs/dbraw/zinc/96/83/81/556968381.db2.gz XWOZZLMWCKTTOW-NRFANRHFSA-N 1 0 437.496 3.121 50 30 IGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(F)cc1 ZINC000020219324 556999513 /nfs/dbraw/zinc/99/95/13/556999513.db2.gz DFSUOSHOIASEFK-NRFANRHFSA-N 1 0 440.471 3.127 50 30 IGEARO COC(=O)c1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000024192961 557140524 /nfs/dbraw/zinc/14/05/24/557140524.db2.gz OXHQVVVSUUWPPX-OAQYLSRUSA-N 1 0 448.475 3.359 50 30 IGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1cccc(Br)c1 ZINC000101100268 557255215 /nfs/dbraw/zinc/25/52/15/557255215.db2.gz LLABHFSLBXSDNV-GHNGSUTGSA-N 1 0 444.329 3.218 50 30 IGEARO COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000102493417 557335553 /nfs/dbraw/zinc/33/55/53/557335553.db2.gz QNDUPSPDPQBLPQ-YDJIHCHBSA-N 1 0 444.915 3.341 50 30 IGEARO COc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000102500910 557338218 /nfs/dbraw/zinc/33/82/18/557338218.db2.gz NFDNMZIQTIRFPY-GHNGSUTGSA-N 1 0 429.542 3.142 50 30 IGEARO CNS(=O)(=O)c1ccc(C[N+](=O)[C@@H]2N(Cc3ccccc3)C(=S)SC2(C)C)cc1 ZINC000100273388 557396782 /nfs/dbraw/zinc/39/67/82/557396782.db2.gz JFKRQKRKKFXDEQ-TTXZLZEXSA-N 1 0 449.623 3.163 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2OC)c(C)c1 ZINC000102925873 557409991 /nfs/dbraw/zinc/40/99/91/557409991.db2.gz JWXFYVXOBKFIJH-MOBKVPTQSA-N 1 0 438.524 3.386 50 30 IGEARO O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000104228554 557453384 /nfs/dbraw/zinc/45/33/84/557453384.db2.gz VMHSEZMAULQVRJ-JBCNATCCSA-N 1 0 440.927 3.484 50 30 IGEARO Cc1c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccs2)cnn1-c1ccccc1 ZINC000004042115 562941335 /nfs/dbraw/zinc/94/13/35/562941335.db2.gz HGDWZPLKFIHLJB-HXUWFJFHSA-N 1 0 436.537 3.382 50 30 IGEARO Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1ccc(F)cc1 ZINC000008919098 562966099 /nfs/dbraw/zinc/96/60/99/562966099.db2.gz NNPOMADWLQPBJQ-NRFANRHFSA-N 1 0 436.487 3.312 50 30 IGEARO C=CCN1c2ccccc2[C@@]2([NH2+][C@H](CC(C)C)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]32)C1=O ZINC000103130014 568805914 /nfs/dbraw/zinc/80/59/14/568805914.db2.gz GZLMWBMCALCJPM-XTOGBABISA-N 1 0 429.520 3.238 50 30 IGEARO C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([N@@H+](C)Cc1cccc(OC)c1)C2 ZINC000014536767 568826360 /nfs/dbraw/zinc/82/63/60/568826360.db2.gz OAPYNCHIOZHRIK-LJQANCHMSA-N 1 0 440.613 3.256 50 30 IGEARO C=CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([NH2+]Cc1cccc3ccccc31)C2 ZINC000014752505 568826956 /nfs/dbraw/zinc/82/69/56/568826956.db2.gz AQVFYXKKWZEAQH-OAQYLSRUSA-N 1 0 430.552 3.342 50 30 IGEARO COc1ccc(C[N@@H+]2CCN(Cc3ccc(C#CCCO)cc3)C[C@@H]2CCO)c(C)c1C ZINC000019740296 568855013 /nfs/dbraw/zinc/85/50/13/568855013.db2.gz TXOFRDZCQLXWFW-SANMLTNESA-N 1 0 436.596 3.115 50 30 IGEARO CC(=O)N(CC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CCCOc2cccc(C#N)c2)CC1 ZINC000170616784 569146731 /nfs/dbraw/zinc/14/67/31/569146731.db2.gz CMEBCGWOIRFTQC-OAQYLSRUSA-N 1 0 429.561 3.372 50 30 IGEARO COC(=O)C[N@@+]1(C)CCc2c(c(OC)c3c(c2C(=O)/C=C/c2cccc(F)c2)OCO3)C1 ZINC000252441458 569183682 /nfs/dbraw/zinc/18/36/82/569183682.db2.gz WOVDDYSZXORFOD-GJTXFRBNSA-N 1 0 442.463 3.135 50 30 IGEARO C[C@@H]1CC[C@@H]2[C@H](C[NH+]3CCN(c4ccccc4F)CC3)C(=O)O[C@@]23[C@@H]2O[C@]2(C)CC[C@H]13 ZINC000253487937 569283188 /nfs/dbraw/zinc/28/31/88/569283188.db2.gz UDPFOMKNYCYJOB-DNXHUALGSA-N 1 0 428.548 3.473 50 30 IGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1ccc(Br)cc1 ZINC000020219572 569356838 /nfs/dbraw/zinc/35/68/38/569356838.db2.gz SDKGNKZDPIOIML-SFHVURJKSA-N 1 0 444.329 3.374 50 30 IGEARO COc1cccc([C@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000009045284 569498075 /nfs/dbraw/zinc/49/80/75/569498075.db2.gz FUGYWBNWUWFTEJ-NHFXJNLRSA-N 1 0 444.915 3.341 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccccc2OC)cc1Cl ZINC000009175101 569509723 /nfs/dbraw/zinc/50/97/23/569509723.db2.gz WKDOEXFDRNECOM-NHFXJNLRSA-N 1 0 444.915 3.341 50 30 IGEARO Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)s1 ZINC000009232442 569513761 /nfs/dbraw/zinc/51/37/61/569513761.db2.gz MFFBUNHCPRWXBF-QGZVFWFLSA-N 1 0 444.513 3.198 50 30 IGEARO COc1ccccc1[C@@H]1C(C(=O)c2sc(C)nc2C)=C(O)C(=O)N1CCC[NH+](C)C ZINC000009301995 569520750 /nfs/dbraw/zinc/52/07/50/569520750.db2.gz FGWFMMHCYYREKC-GOSISDBHSA-N 1 0 429.542 3.299 50 30 IGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000009333955 569523259 /nfs/dbraw/zinc/52/32/59/569523259.db2.gz BZDMHZFMRRSMKJ-LFVOPCPISA-N 1 0 427.432 3.107 50 30 IGEARO C=C(Cl)Cn1c2cc(OC)c(OC)cc2cc(C[NH2+]CCn2nc(C)cc2C)c1=O ZINC000012332877 518653123 /nfs/dbraw/zinc/65/31/23/518653123.db2.gz GRKPQXMFGULUNW-UHFFFAOYSA-N 1 0 430.936 3.374 50 30 IGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccccn1 ZINC000012468368 520603031 /nfs/dbraw/zinc/60/30/31/520603031.db2.gz AMOVVYQUPAHBAC-NRFANRHFSA-N 1 0 437.496 3.121 50 30 IGEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(Cl)cc1 ZINC000012759004 521756304 /nfs/dbraw/zinc/75/63/04/521756304.db2.gz YLSJBVUFVTXELV-HXUWFJFHSA-N 1 0 442.899 3.251 50 30 IGEARO COc1ccc(C(=O)C[n+]2cc(C(=O)c3ccc(OC)cc3)sc2N=CN(C)C)cc1 ZINC000012861446 523593854 /nfs/dbraw/zinc/59/38/54/523593854.db2.gz SVGSDUACKFMRIK-UHFFFAOYSA-N 1 0 438.529 3.388 50 30 IGEARO COc1ccc(N2CC[NH+](C[C@H]3C(=O)O[C@@H]4C5=C(C)C(=O)C=C[C@]5(C)CC[C@@H]34)CC2)cc1 ZINC000059408810 524427839 /nfs/dbraw/zinc/42/78/39/524427839.db2.gz CHDIGQLUUHEUJK-IMBWNBOCSA-N 1 0 436.552 3.231 50 30 IGEARO Cc1c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccn2)cnn1-c1ccccc1 ZINC000013124743 525553210 /nfs/dbraw/zinc/55/32/10/525553210.db2.gz ZZVMUXYRIOEFRD-QFIPXVFZSA-N 1 0 445.523 3.106 50 30 IGEARO C=CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CC[NH+](C)C)cc1OC ZINC000016734849 556632705 /nfs/dbraw/zinc/63/27/05/556632705.db2.gz HRKSFSCXTNAFFM-HXUWFJFHSA-N 1 0 442.537 3.461 50 30 IGEARO Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1ccc(C)cc1 ZINC000019861563 556933847 /nfs/dbraw/zinc/93/38/47/556933847.db2.gz UJDRHTMJZZCKID-QFIPXVFZSA-N 1 0 432.524 3.481 50 30 IGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1cccc(F)c1 ZINC000019880103 556936878 /nfs/dbraw/zinc/93/68/78/556936878.db2.gz JQUJHOPFVZNYLF-OAQYLSRUSA-N 1 0 440.471 3.475 50 30 IGEARO COc1cccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000102751934 557383204 /nfs/dbraw/zinc/38/32/04/557383204.db2.gz CYRWZWNCTFNACN-MRJHHRETSA-N 1 0 442.487 3.216 50 30 IGEARO CNS(=O)(=O)c1ccc(C[N+](=O)[C@H]2N(Cc3ccccc3)C(=S)SC2(C)C)cc1 ZINC000100273390 557396766 /nfs/dbraw/zinc/39/67/66/557396766.db2.gz JFKRQKRKKFXDEQ-UEIZDATPSA-N 1 0 449.623 3.163 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccs2)cc1OC ZINC000102859084 557399403 /nfs/dbraw/zinc/39/94/03/557399403.db2.gz RFRUMBVBRWRKPR-WOOAAIBNSA-N 1 0 430.526 3.139 50 30 IGEARO Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc([N+](=O)[O-])c2)s1 ZINC000102858988 557399444 /nfs/dbraw/zinc/39/94/44/557399444.db2.gz FDCNCQSJGZCGHF-HVESIFNPSA-N 1 0 444.513 3.042 50 30 IGEARO Cc1c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccccc2)cnn1-c1ccccc1 ZINC000102862018 557402621 /nfs/dbraw/zinc/40/26/21/557402621.db2.gz DVCDCWPDBMOWQK-HOGKFDNTSA-N 1 0 430.508 3.164 50 30 IGEARO COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000102890914 557405513 /nfs/dbraw/zinc/40/55/13/557405513.db2.gz NOIHRFZSKCIVKX-IXBTYZTBSA-N 1 0 436.508 3.002 50 30 IGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccco1 ZINC000102897286 557411179 /nfs/dbraw/zinc/41/11/79/557411179.db2.gz PJKMHGXIMPSOLL-JBCNATCCSA-N 1 0 440.496 3.204 50 30 IGEARO Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1ccc(F)cc1 ZINC000008919104 562966055 /nfs/dbraw/zinc/96/60/55/562966055.db2.gz NNPOMADWLQPBJQ-OAQYLSRUSA-N 1 0 436.487 3.312 50 30 IGEARO COc1cc2c(cc1OC)CN([C@H]1CCC[N@H+](Cc3ccc(C#CCCO)cc3)C1)CC2 ZINC000019835828 568855406 /nfs/dbraw/zinc/85/54/06/568855406.db2.gz WULGEOYJGDRREZ-VWLOTQADSA-N 1 0 434.580 3.460 50 30 IGEARO C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH2+]Cc1c(F)cccc1F)C2 ZINC000014740425 569310693 /nfs/dbraw/zinc/31/06/93/569310693.db2.gz HAPSKEPZYUVWTH-HNNXBMFYSA-N 1 0 432.540 3.183 50 30 IGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1cc(OC)ccc1OC ZINC000020219606 569356859 /nfs/dbraw/zinc/35/68/59/569356859.db2.gz PXQLIOFLMVATQX-NRFANRHFSA-N 1 0 439.512 3.019 50 30 IGEARO O=C(c1cccs1)C1=C(O)C(=O)N(CC[NH+]2CCCC2)[C@H]1c1ccc2c(c1)OCO2 ZINC000096335815 569396650 /nfs/dbraw/zinc/39/66/50/569396650.db2.gz MQTSAPCODGMLII-IBGZPJMESA-N 1 0 426.494 3.151 50 30 IGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000008694882 569470161 /nfs/dbraw/zinc/47/01/61/569470161.db2.gz MYADFBJIQKYURA-RKKARLDVSA-N 1 0 438.524 3.467 50 30 IGEARO CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+](C)C)cc1OCC ZINC000008838338 569478345 /nfs/dbraw/zinc/47/83/45/569478345.db2.gz GYQRRJBGRWRQBH-MRJHHRETSA-N 1 0 442.512 3.450 50 30 IGEARO C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CC[NH+](C)C)[C@@H]3c3ccc(N(C)C)cc3)ccc2O1 ZINC000009009402 569496280 /nfs/dbraw/zinc/49/62/80/569496280.db2.gz AHLVLXIYEFUMGO-QMHKHESXSA-N 1 0 449.551 3.216 50 30 IGEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(OCC)cc2)cc1 ZINC000009046269 569498303 /nfs/dbraw/zinc/49/83/03/569498303.db2.gz QYIMESINAYMPMF-MOBKVPTQSA-N 1 0 438.524 3.467 50 30 IGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1cc(OC)ccc1OC ZINC000009271652 569517834 /nfs/dbraw/zinc/51/78/34/569517834.db2.gz YSBRVJOOXLAAAE-YDJIHCHBSA-N 1 0 428.485 3.060 50 30 IGEARO COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]3c3cccnc3)oc21 ZINC000009275740 569518417 /nfs/dbraw/zinc/51/84/17/569518417.db2.gz OWSRAMOFTZJPGC-YDJIHCHBSA-N 1 0 435.480 3.210 50 30 IGEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@@H]2c2ccncc2)cc1 ZINC000009360881 569525767 /nfs/dbraw/zinc/52/57/67/569525767.db2.gz VRCUXWVDTMISMK-HOGKFDNTSA-N 1 0 435.524 3.410 50 30 IGEARO CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccnc2)cc1 ZINC000102170129 519762076 /nfs/dbraw/zinc/76/20/76/519762076.db2.gz RBGWQGNVIQGJKO-MOBKVPTQSA-N 1 0 437.540 3.490 50 30 IGEARO Cc1ncc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(Cl)cc2)c(C)n1 ZINC000013689594 527223386 /nfs/dbraw/zinc/22/33/86/527223386.db2.gz SMVFXPAAXRTNQQ-LJQANCHMSA-N 1 0 428.920 3.277 50 30 IGEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccnc2)cc1Cl ZINC000009007838 556240274 /nfs/dbraw/zinc/24/02/74/556240274.db2.gz DVHKBPQABAUESN-LJQANCHMSA-N 1 0 429.904 3.274 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000009271354 556271122 /nfs/dbraw/zinc/27/11/22/556271122.db2.gz URKSMSHSWHRYRE-HXUWFJFHSA-N 1 0 439.468 3.052 50 30 IGEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc(OC)c2)cc1 ZINC000016734500 556632752 /nfs/dbraw/zinc/63/27/52/556632752.db2.gz UZURCGBIEIEPTD-QFIPXVFZSA-N 1 0 436.508 3.400 50 30 IGEARO C=CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CC[NH+](C)C)cc1OC ZINC000016734846 556632890 /nfs/dbraw/zinc/63/28/90/556632890.db2.gz HRKSFSCXTNAFFM-FQEVSTJZSA-N 1 0 442.537 3.461 50 30 IGEARO COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1ccncc1 ZINC000013725614 556719348 /nfs/dbraw/zinc/71/93/48/556719348.db2.gz HCOUUFBZRHJUEZ-IBGZPJMESA-N 1 0 429.904 3.274 50 30 IGEARO C[C@]12CCC[C@]3(CO3)[C@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000061992844 556767177 /nfs/dbraw/zinc/76/71/77/556767177.db2.gz FIUCPZNGVDJLBY-KAVBHCITSA-N 1 0 428.548 3.475 50 30 IGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)O[C@@H](C)C3)[C@H]1c1ccncc1 ZINC000019861506 556933650 /nfs/dbraw/zinc/93/36/50/556933650.db2.gz DYXWJCDPHQPLEQ-KSFYIVLOSA-N 1 0 435.524 3.325 50 30 IGEARO CCOc1ccccc1[C@H]1C(C(=O)c2ccc(OC)cc2C)=C(O)C(=O)N1CC[NH+](C)C ZINC000006197151 557157114 /nfs/dbraw/zinc/15/71/14/557157114.db2.gz RHROIRXDIZTISV-MOBKVPTQSA-N 1 0 438.524 3.386 50 30 IGEARO Cc1cc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccncc2)ccc1OCC(C)C ZINC000102175648 557314284 /nfs/dbraw/zinc/31/42/84/557314284.db2.gz MOJWQPDBELFZCY-HOGKFDNTSA-N 1 0 437.540 3.408 50 30 IGEARO COc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CC[NH+](C)C)c1OC ZINC000102715467 557374821 /nfs/dbraw/zinc/37/48/21/557374821.db2.gz KXPSGAKQWNZWOP-WOOAAIBNSA-N 1 0 444.915 3.341 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccs2)cc1OC ZINC000102859080 557399388 /nfs/dbraw/zinc/39/93/88/557399388.db2.gz RFRUMBVBRWRKPR-LFVOPCPISA-N 1 0 430.526 3.139 50 30 IGEARO COc1ccc(C(=O)/C=C\c2cn(C[C@H](O)CN3CC[NH+](C)CC3)c3ccccc23)cc1 ZINC000033531210 557408254 /nfs/dbraw/zinc/40/82/54/557408254.db2.gz YAZNRJMYUBQGGZ-REBWPMHBSA-N 1 0 433.552 3.154 50 30 IGEARO Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1ccccc1 ZINC000102929889 557413690 /nfs/dbraw/zinc/41/36/90/557413690.db2.gz FGSMXEABZWEVKM-OBVHCKHUSA-N 1 0 432.524 3.325 50 30 IGEARO O=C(C[n+]1cccc(CNC(=O)c2ccc(OC(F)F)cc2)c1)Nc1ccc(F)cc1 ZINC000008690527 562963238 /nfs/dbraw/zinc/96/32/38/562963238.db2.gz CQOXCZKMLKPADL-UHFFFAOYSA-O 1 0 430.406 3.283 50 30 IGEARO C=CCOC[C@H](O)C[N@@H+](Cc1cccc(OC)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104985377 568623407 /nfs/dbraw/zinc/62/34/07/568623407.db2.gz KGRFGQQSWBALAH-FYYLOGMGSA-N 1 0 428.504 3.393 50 30 IGEARO C=CCN1c2ccccc2[C@@]2([NH2+][C@H](CCCC)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)C1=O ZINC000101794429 568804089 /nfs/dbraw/zinc/80/40/89/568804089.db2.gz RBRWKEPTKIZNHP-POHGFMBCSA-N 1 0 443.547 3.378 50 30 IGEARO C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([NH2+]Cc1ccc(F)c(F)c1)C2 ZINC000014733514 568826984 /nfs/dbraw/zinc/82/69/84/568826984.db2.gz BPSZAPBVBMVUPA-MRXNPFEDSA-N 1 0 432.540 3.183 50 30 IGEARO C=CCN1c2ccccc2[C@@]2([NH2+][C@@H](CC)[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]32)C1=O ZINC000017167280 568851236 /nfs/dbraw/zinc/85/12/36/568851236.db2.gz JACYHYKXQAODKK-GHCZAOPSSA-N 1 0 435.911 3.256 50 30 IGEARO C=CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]1[C@H]1CCCC[N@@H+]12 ZINC000248158006 568919012 /nfs/dbraw/zinc/91/90/12/568919012.db2.gz JNHADTJUPUDAGI-QILISPFLSA-N 1 0 427.504 3.088 50 30 IGEARO COc1ccc(OC)c([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000020191939 569355678 /nfs/dbraw/zinc/35/56/78/569355678.db2.gz GSEJEPRCUQOVNZ-QFIPXVFZSA-N 1 0 438.524 3.461 50 30 IGEARO N#Cc1ccccc1S(=O)(=O)N1CCC([NH+]2CCC(Oc3ccccc3F)CC2)CC1 ZINC000217592042 569449653 /nfs/dbraw/zinc/44/96/53/569449653.db2.gz CLUXRLFRRSHYPH-UHFFFAOYSA-N 1 0 443.544 3.394 50 30 IGEARO CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+](C)C)cc1OCC ZINC000008838337 569478301 /nfs/dbraw/zinc/47/83/01/569478301.db2.gz GYQRRJBGRWRQBH-JBCNATCCSA-N 1 0 442.512 3.450 50 30 IGEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000009007586 569496104 /nfs/dbraw/zinc/49/61/04/569496104.db2.gz GMFJXSYGWZIQSD-HOGKFDNTSA-N 1 0 436.508 3.243 50 30 IGEARO CCCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CC[NH+](C)C)cc1OC ZINC000009007933 569496202 /nfs/dbraw/zinc/49/62/02/569496202.db2.gz HQRHHMRNXDCRMJ-NHFXJNLRSA-N 1 0 428.485 3.060 50 30 IGEARO Cc1ccc([C@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CCC[NH+](C)C)o1 ZINC000009235672 569514055 /nfs/dbraw/zinc/51/40/55/569514055.db2.gz SOZIAWIJIKEKFA-FQEVSTJZSA-N 1 0 436.512 3.383 50 30 IGEARO COc1cccc([C@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000009275491 569518368 /nfs/dbraw/zinc/51/83/68/569518368.db2.gz WRVPXPJVWXQKQG-NRFANRHFSA-N 1 0 448.523 3.100 50 30 IGEARO C#CCOC[C@H](O)C[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C1CCCCC1 ZINC000036157050 518312618 /nfs/dbraw/zinc/31/26/18/518312618.db2.gz UNUAELQPLRTMQV-QGZVFWFLSA-N 1 0 429.586 3.009 50 30 IGEARO CC(=O)Nc1ccc(N2C(=O)C[n+]3ccccc3[C@H]2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000013366951 519721406 /nfs/dbraw/zinc/72/14/06/519721406.db2.gz KLAOTVVEXXJHQU-QFIPXVFZSA-O 1 0 435.891 3.313 50 30 IGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2c(C)nc3ccccn32)[C@H]1c1cccnc1 ZINC000009271403 520597291 /nfs/dbraw/zinc/59/72/91/520597291.db2.gz DFFLUCJXDOKMOC-IAMBOQNYSA-N 1 0 447.539 3.191 50 30 IGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccco1 ZINC000102897290 520598794 /nfs/dbraw/zinc/59/87/94/520598794.db2.gz PJKMHGXIMPSOLL-MRJHHRETSA-N 1 0 440.496 3.204 50 30 IGEARO COc1ccc(N2C(=O)C[n+]3ccccc3[C@H]2C(=O)Nc2c(C)cccc2C)c(OC)c1 ZINC000013367018 524393515 /nfs/dbraw/zinc/39/35/15/524393515.db2.gz OFZLYSGHLXWJFI-DEOSSOPVSA-O 1 0 432.500 3.335 50 30 IGEARO Cc1c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(F)cc2)cnn1-c1ccccc1 ZINC000102511415 525512606 /nfs/dbraw/zinc/51/26/06/525512606.db2.gz XGOSUXVFOGVFHW-MOBKVPTQSA-N 1 0 448.498 3.303 50 30 IGEARO O=C1C(=Cc2ccccc2)C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@H]1O5 ZINC000003932773 555951554 /nfs/dbraw/zinc/95/15/54/555951554.db2.gz WXOUFNFMPVMGFZ-BDQAUFNLSA-N 1 0 429.516 3.219 50 30 in-vitro IGEARO Cc1c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccncc2)cnn1-c1ccccc1 ZINC000004042221 555955264 /nfs/dbraw/zinc/95/52/64/555955264.db2.gz YSJSVQQTJGSLKZ-QFIPXVFZSA-N 1 0 445.523 3.106 50 30 IGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccccc1 ZINC000016741546 556635457 /nfs/dbraw/zinc/63/54/57/556635457.db2.gz WCFVUXQCQCRVMD-JOCHJYFZSA-N 1 0 436.508 3.378 50 30 IGEARO COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000018208215 556686927 /nfs/dbraw/zinc/68/69/27/556686927.db2.gz XTFCHKIMCWELSE-FQEVSTJZSA-N 1 0 444.915 3.497 50 30 IGEARO COc1ccc(OC)c([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000013730773 556720444 /nfs/dbraw/zinc/72/04/44/556720444.db2.gz HYPVNBMJFTXPLQ-QFIPXVFZSA-N 1 0 449.507 3.325 50 30 IGEARO Cc1ncc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc(Cl)c2)c(C)n1 ZINC000013736579 556722678 /nfs/dbraw/zinc/72/26/78/556722678.db2.gz CFTYOCBAMAPMSD-IBGZPJMESA-N 1 0 428.920 3.277 50 30 IGEARO C=CCOc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000101297930 557270559 /nfs/dbraw/zinc/27/05/59/557270559.db2.gz XJDCGNRZKDJVED-LFVOPCPISA-N 1 0 441.553 3.308 50 30 IGEARO CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccnc2)cc1 ZINC000102170134 557314044 /nfs/dbraw/zinc/31/40/44/557314044.db2.gz RBGWQGNVIQGJKO-HOGKFDNTSA-N 1 0 437.540 3.490 50 30 IGEARO COc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CC[NH+](C)C)c1OC ZINC000102715464 557374833 /nfs/dbraw/zinc/37/48/33/557374833.db2.gz KXPSGAKQWNZWOP-LFVOPCPISA-N 1 0 444.915 3.341 50 30 IGEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccnc2)cc1Cl ZINC000102879749 557407527 /nfs/dbraw/zinc/40/75/27/557407527.db2.gz JDEDNGIVKAVBJS-WOOAAIBNSA-N 1 0 429.904 3.117 50 30 IGEARO COCCNC1=[NH+]c2ncccc2NC12CCN(C(=O)c1cc(Cl)ccc1F)CC2 ZINC000096309688 557776430 /nfs/dbraw/zinc/77/64/30/557776430.db2.gz LLUHXGVCWXUNSH-UHFFFAOYSA-N 1 0 431.899 3.431 50 30 IGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1cccc(Br)c1 ZINC000020219586 563024099 /nfs/dbraw/zinc/02/40/99/563024099.db2.gz VFHQYXLFUXAKER-GOSISDBHSA-N 1 0 444.329 3.374 50 30 IGEARO C#CCOC[C@@H](O)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2Cl)=NO1 ZINC000104985305 568623491 /nfs/dbraw/zinc/62/34/91/568623491.db2.gz QMWDHTUKPBFFIW-VQTJNVASSA-N 1 0 430.907 3.485 50 30 IGEARO C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([NH2+]CCc1ccccc1F)C2 ZINC000014746725 568827012 /nfs/dbraw/zinc/82/70/12/568827012.db2.gz XDOFRDCUDSZVMX-GOSISDBHSA-N 1 0 428.577 3.087 50 30 IGEARO C=CCN1c2ccccc2[C@@]2([NH2+][C@H](CCCC)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1=O ZINC000016285932 568829423 /nfs/dbraw/zinc/82/94/23/568829423.db2.gz RBRWKEPTKIZNHP-LEKPLPIFSA-N 1 0 443.547 3.378 50 30 IGEARO COc1cc2c(cc1OC)CN([C@@H]1CCC[N@H+](Cc3ccc(C#CCCO)cc3)C1)CC2 ZINC000019835826 568855295 /nfs/dbraw/zinc/85/52/95/568855295.db2.gz WULGEOYJGDRREZ-RUZDIDTESA-N 1 0 434.580 3.460 50 30 IGEARO C=C(C)CN1c2ccccc2[C@@]2([NH2+][C@H](C)[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]32)C1=O ZINC000217613541 568883344 /nfs/dbraw/zinc/88/33/44/568883344.db2.gz CKBGXXAFTSIZQL-CKHWXHELSA-N 1 0 435.911 3.256 50 30 IGEARO COC(=O)C[N@+]1(C)CCc2c(c(OC)c3c(c2C(=O)/C=C/c2ccc(F)cc2)OCO3)C1 ZINC000252441378 569183688 /nfs/dbraw/zinc/18/36/88/569183688.db2.gz SULZKVHSVVGWNR-KXZPLDGJSA-N 1 0 442.463 3.135 50 30 IGEARO C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NCCC[NH+](C)C)c1 ZINC000003363310 569448055 /nfs/dbraw/zinc/44/80/55/569448055.db2.gz UHCZZXRTHMDVGP-UHFFFAOYSA-N 1 0 435.977 3.403 50 30 IGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000008694883 569470135 /nfs/dbraw/zinc/47/01/35/569470135.db2.gz MYADFBJIQKYURA-VFJWVMJUSA-N 1 0 438.524 3.467 50 30 IGEARO COc1ccc([C@@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000008982022 569494517 /nfs/dbraw/zinc/49/45/17/569494517.db2.gz RJEXEYZQXQNQCI-OAQYLSRUSA-N 1 0 448.523 3.100 50 30 IGEARO Cc1c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(C)cc2)cnn1-c1ccccc1 ZINC000009008091 569496187 /nfs/dbraw/zinc/49/61/87/569496187.db2.gz JGCQOUZRZXVLQY-AYWGPLOBSA-N 1 0 444.535 3.472 50 30 IGEARO C#CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)noc1N(CC)CC)C[C@H]1CCCO1 ZINC000245328332 569503842 /nfs/dbraw/zinc/50/38/42/569503842.db2.gz NFBPLVVTNWPSNV-FGZHOGPDSA-N 1 0 441.572 3.180 50 30 IGEARO COc1ccccc1[C@H]1C(C(=O)c2c(C)nc3c(C)cccn32)=C(O)C(=O)N1CC[NH+](C)C ZINC000009177695 569509718 /nfs/dbraw/zinc/50/97/18/569509718.db2.gz RVQAHHXMLRPSTP-NRFANRHFSA-N 1 0 448.523 3.100 50 30 IGEARO Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@H]1c1cccc(F)c1 ZINC000009235618 569514097 /nfs/dbraw/zinc/51/40/97/569514097.db2.gz RXKPQQZBPKNJSI-FQEVSTJZSA-N 1 0 436.487 3.230 50 30 IGEARO COc1ccccc1[C@H]1C(C(=O)c2sc(C)nc2C)=C(O)C(=O)N1CCC[NH+](C)C ZINC000009301994 569520805 /nfs/dbraw/zinc/52/08/05/569520805.db2.gz FGWFMMHCYYREKC-SFHVURJKSA-N 1 0 429.542 3.299 50 30 IGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000009333799 569523147 /nfs/dbraw/zinc/52/31/47/569523147.db2.gz BRAWZWGDUMFEQN-YDJIHCHBSA-N 1 0 441.459 3.497 50 30 IGEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(O)cc2)cc1 ZINC000009356970 569525526 /nfs/dbraw/zinc/52/55/26/569525526.db2.gz TXYMMOCSNFNTDU-HOGKFDNTSA-N 1 0 436.508 3.330 50 30 IGEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@@H]2c2cccnc2)cc1 ZINC000009359206 569525687 /nfs/dbraw/zinc/52/56/87/569525687.db2.gz MZYKNMLDBXRPBO-HOGKFDNTSA-N 1 0 435.524 3.410 50 30 IGEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@H]2c2ccncc2)cc1 ZINC000009360887 569525819 /nfs/dbraw/zinc/52/58/19/569525819.db2.gz VRCUXWVDTMISMK-MOBKVPTQSA-N 1 0 435.524 3.410 50 30 IGEARO C=CCCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000057427993 518702042 /nfs/dbraw/zinc/70/20/42/518702042.db2.gz QYXQEJBKNCCGEN-NRFANRHFSA-N 1 0 440.551 3.251 50 30 IGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2c(C)nc3ccccn32)[C@H]1c1ccncc1 ZINC000102860251 520597069 /nfs/dbraw/zinc/59/70/69/520597069.db2.gz ANZFNDCHOWDUSI-IAMBOQNYSA-N 1 0 447.539 3.191 50 30 IGEARO CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CC[NH+](C)C)cc1OC ZINC000009008264 521232594 /nfs/dbraw/zinc/23/25/94/521232594.db2.gz BIFULKWLSFJNHG-LFVOPCPISA-N 1 0 430.526 3.139 50 30 IGEARO CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CC[NH+](C)C)cc1OCC ZINC000020265302 521270010 /nfs/dbraw/zinc/27/00/10/521270010.db2.gz IAAOFJLNGDWBRZ-FQEVSTJZSA-N 1 0 428.485 3.217 50 30 IGEARO COc1ccccc1CN1C[C@@H]2C[C@@H](c3ccc(C#CCCO)cc3)[N@@H+]3CCC[C@@]23C1=O ZINC000012303742 524454331 /nfs/dbraw/zinc/45/43/31/524454331.db2.gz QEZKFYADGKOEFE-DPZBCOQUSA-N 1 0 430.548 3.367 50 30 IGEARO C[C@@H]([NH2+]CC(=O)Nc1cccc(S(=O)(=O)N=C2CCCCCN2)c1)c1ccc(F)cc1 ZINC000013039804 525412607 /nfs/dbraw/zinc/41/26/07/525412607.db2.gz LQUSDGAPKBCTNP-MRXNPFEDSA-N 1 0 446.548 3.366 50 30 IGEARO Cc1ccc([C@@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CC[NH+](C)C)o1 ZINC000012468672 525791185 /nfs/dbraw/zinc/79/11/85/525791185.db2.gz AWIQLNJJJABDAX-OAQYLSRUSA-N 1 0 434.496 3.222 50 30 IGEARO COc1ccc(CC(=[NH2+])NOC(=O)COc2ccc(Br)c(C)c2)cc1OC ZINC000009380340 556287250 /nfs/dbraw/zinc/28/72/50/556287250.db2.gz WHAIKBZECPCEIS-UHFFFAOYSA-N 1 0 437.290 3.212 50 30 IGEARO C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](c3cccc(OC)c3)[NH+]3CCCC3)cc2C1=O ZINC000032988475 556608741 /nfs/dbraw/zinc/60/87/41/556608741.db2.gz PGTCCYJXJWMJLW-QFIPXVFZSA-N 1 0 433.508 3.044 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(N(C)C)cc2)cc1 ZINC000019928160 556946077 /nfs/dbraw/zinc/94/60/77/556946077.db2.gz UQHUGQFAVSAUHJ-JOCHJYFZSA-N 1 0 437.540 3.291 50 30 IGEARO COc1cccc([C@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000020229127 557001699 /nfs/dbraw/zinc/00/16/99/557001699.db2.gz XBGJPMSMHKWGBU-FQEVSTJZSA-N 1 0 444.915 3.497 50 30 IGEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(O)cc2)cc1 ZINC000020393919 557013190 /nfs/dbraw/zinc/01/31/90/557013190.db2.gz VSNSCYXKDQNYFT-QFIPXVFZSA-N 1 0 436.508 3.487 50 30 IGEARO Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@@H]1c1ccncc1 ZINC000102169359 557314036 /nfs/dbraw/zinc/31/40/36/557314036.db2.gz GEUHYAMTUJHIOC-HOGKFDNTSA-N 1 0 437.540 3.408 50 30 IGEARO Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1ccc(F)cc1 ZINC000102524792 557353222 /nfs/dbraw/zinc/35/32/22/557353222.db2.gz HSFRLIBWHLLFOZ-OBVHCKHUSA-N 1 0 436.487 3.155 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(F)cc2)c(OC)c1 ZINC000102747266 557378443 /nfs/dbraw/zinc/37/84/43/557378443.db2.gz LGYMJBLDBLRBHX-MRJHHRETSA-N 1 0 442.487 3.216 50 30 IGEARO Cc1c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccs2)cnn1-c1ccccc1 ZINC000102862789 557403200 /nfs/dbraw/zinc/40/32/00/557403200.db2.gz YBNCMYGUSDMZHE-NHFXJNLRSA-N 1 0 436.537 3.226 50 30 IGEARO COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000102890905 557405436 /nfs/dbraw/zinc/40/54/36/557405436.db2.gz NOIHRFZSKCIVKX-NYSCORLISA-N 1 0 436.508 3.002 50 30 IGEARO COc1ccc(C(=O)/C=C\c2cn(C[C@@H](O)CN3CC[NH+](C)CC3)c3ccccc23)cc1 ZINC000033531209 557408232 /nfs/dbraw/zinc/40/82/32/557408232.db2.gz YAZNRJMYUBQGGZ-RYGYDFEPSA-N 1 0 433.552 3.154 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccc2OC)c(C)c1 ZINC000102925875 557410008 /nfs/dbraw/zinc/41/00/08/557410008.db2.gz JWXFYVXOBKFIJH-HOGKFDNTSA-N 1 0 438.524 3.386 50 30 IGEARO COc1ccccc1N1CC[NH+](C[C@@H]2C(=O)O[C@@]34[C@H]5O[C@@]5(C)CC[C@@H]3[C@H](C)CC[C@@H]24)CC1 ZINC000253487889 569283065 /nfs/dbraw/zinc/28/30/65/569283065.db2.gz SRNHEUPEANGIAG-GBEXWOTJSA-N 1 0 440.584 3.343 50 30 IGEARO CCOc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000020133171 569335535 /nfs/dbraw/zinc/33/55/35/569335535.db2.gz GDVPBEXELRUELV-GOSISDBHSA-N 1 0 429.542 3.299 50 30 IGEARO Cc1c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccccc2F)cnn1-c1ccccc1 ZINC000008837406 569478219 /nfs/dbraw/zinc/47/82/19/569478219.db2.gz QQJYQWLSFOLHOI-QFIPXVFZSA-N 1 0 448.498 3.460 50 30 IGEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000008920178 569486476 /nfs/dbraw/zinc/48/64/76/569486476.db2.gz ZVIDQFIGXYMPNR-YDJIHCHBSA-N 1 0 435.436 3.324 50 30 IGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000008981541 569494415 /nfs/dbraw/zinc/49/44/15/569494415.db2.gz NMZXEJFIMLISCP-LFVOPCPISA-N 1 0 427.432 3.107 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(N(C)C)cc2)cc1 ZINC000008996903 569495873 /nfs/dbraw/zinc/49/58/73/569495873.db2.gz NNMPZYSEJPKTOD-MOBKVPTQSA-N 1 0 437.540 3.135 50 30 IGEARO CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC ZINC000009043448 569497864 /nfs/dbraw/zinc/49/78/64/569497864.db2.gz MMZDYQROWAPWNR-JBCNATCCSA-N 1 0 442.512 3.369 50 30 IGEARO C#CCOC[C@H](O)C[N@@H+](CCC)Cc1c(-c2ccccc2)noc1N1CCSCC1 ZINC000036249962 518308017 /nfs/dbraw/zinc/30/80/17/518308017.db2.gz UETDGXIPPHOSHK-HXUWFJFHSA-N 1 0 429.586 3.118 50 30 IGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1ccccn1 ZINC000013124755 520655820 /nfs/dbraw/zinc/65/58/20/520655820.db2.gz VPGBGCFUJVUOEJ-NRFANRHFSA-N 1 0 439.512 3.019 50 30 IGEARO COc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCC[NH+](C)C)c1OC ZINC000012576529 524110731 /nfs/dbraw/zinc/11/07/31/524110731.db2.gz SUVLRYQWBKQNKU-GOSISDBHSA-N 1 0 430.526 3.295 50 30 IGEARO COc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCC[NH+](C)C)c1OC ZINC000013571589 524171548 /nfs/dbraw/zinc/17/15/48/524171548.db2.gz IDHYQLSDRASBOX-IBGZPJMESA-N 1 0 428.485 3.135 50 30 IGEARO Cc1c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccnc2)cnn1-c1ccccc1 ZINC000009066504 556244870 /nfs/dbraw/zinc/24/48/70/556244870.db2.gz RGFGCXKFEBPBQH-QFIPXVFZSA-N 1 0 445.523 3.106 50 30 IGEARO COc1ccc(/C=C2\Oc3c(c(C)c(C[NH+](C)C)c([O-])c3C[NH+](C)C)C2=O)cc1OC ZINC000011865249 556664385 /nfs/dbraw/zinc/66/43/85/556664385.db2.gz BOQRIHHIZLIZBI-JAIQZWGSSA-N 1 0 426.513 3.457 50 30 IGEARO COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1cccnc1 ZINC000013729011 556721181 /nfs/dbraw/zinc/72/11/81/556721181.db2.gz YUMLCOQYPYVDHR-LJQANCHMSA-N 1 0 429.904 3.274 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccc2OC)cc1F ZINC000013735500 556721944 /nfs/dbraw/zinc/72/19/44/556721944.db2.gz PGONONZMEPKDRP-OAQYLSRUSA-N 1 0 442.487 3.373 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000019885738 556938681 /nfs/dbraw/zinc/93/86/81/556938681.db2.gz QUYRCUBSVLJZGJ-FQEVSTJZSA-N 1 0 439.468 3.133 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccncc2)cc1Cl ZINC000020229448 557001706 /nfs/dbraw/zinc/00/17/06/557001706.db2.gz AYERXZRHQZHNGE-LJQANCHMSA-N 1 0 429.904 3.274 50 30 IGEARO COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000020263895 557004467 /nfs/dbraw/zinc/00/44/67/557004467.db2.gz XTFCHKIMCWELSE-HXUWFJFHSA-N 1 0 444.915 3.497 50 30 IGEARO CCN=C(Nc1ccc2c(c1)OCO2)S[C@H]1CC(=O)N(c2ccc(OCC)cc2)C1=O ZINC000100577980 557265303 /nfs/dbraw/zinc/26/53/03/557265303.db2.gz IEFVEHZQSPSRCD-IBGZPJMESA-N 1 0 441.509 3.476 50 30 IGEARO CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccncc2)cc1 ZINC000102170256 557314048 /nfs/dbraw/zinc/31/40/48/557314048.db2.gz YKCLDJRAXKGKEX-MOBKVPTQSA-N 1 0 437.540 3.490 50 30 IGEARO COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000102493427 557335574 /nfs/dbraw/zinc/33/55/74/557335574.db2.gz QNDUPSPDPQBLPQ-NHFXJNLRSA-N 1 0 444.915 3.341 50 30 IGEARO C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@H]3c3cccc(O)c3)ccc2O1 ZINC000102513354 557350317 /nfs/dbraw/zinc/35/03/17/557350317.db2.gz XMFMLDHMIUKMHT-NYSCORLISA-N 1 0 436.508 3.089 50 30 IGEARO COc1cccc([C@@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000102860996 557401588 /nfs/dbraw/zinc/40/15/88/557401588.db2.gz LDQZVSPZCXEOTR-IAMBOQNYSA-N 1 0 448.523 3.025 50 30 IGEARO CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC ZINC000102862492 557402995 /nfs/dbraw/zinc/40/29/95/557402995.db2.gz JWDCDDDKMPALTF-MOBKVPTQSA-N 1 0 438.524 3.467 50 30 IGEARO Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1ccccc1F ZINC000102877429 557406665 /nfs/dbraw/zinc/40/66/65/557406665.db2.gz LPHKZGOMKYXDKO-OBVHCKHUSA-N 1 0 436.487 3.155 50 30 IGEARO C=C(C)[C@@H]1CC=C(C[N@H+]2CCc3nnc(CNC(=O)c4ccc(COC)o4)n3CC2)CC1 ZINC000011910868 568820900 /nfs/dbraw/zinc/82/09/00/568820900.db2.gz NQOZZBIOWSKANV-LJQANCHMSA-N 1 0 439.560 3.108 50 30 IGEARO CC(C)(C)OC(=O)NC1CC[NH+](CCCC(=O)N(CCC#N)Cc2cccnc2)CC1 ZINC000170595785 569141773 /nfs/dbraw/zinc/14/17/73/569141773.db2.gz LZSMIGIOVJFLNN-UHFFFAOYSA-N 1 0 429.565 3.093 50 30 IGEARO COc1ccccc1N1CC[NH+](C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@@H]4C[C@H]23)CC1 ZINC000059415282 569461354 /nfs/dbraw/zinc/46/13/54/569461354.db2.gz XLATVRVWGYAYDV-XEKKGZIOSA-N 1 0 440.584 3.344 50 30 IGEARO COc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCC[NH+](C)C)c(OC)c1 ZINC000008838176 569478210 /nfs/dbraw/zinc/47/82/10/569478210.db2.gz NMKGYWFBAAPMQE-WOOAAIBNSA-N 1 0 430.526 3.139 50 30 IGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000008921079 569486772 /nfs/dbraw/zinc/48/67/72/569486772.db2.gz RNYYGDPLPJVCPS-SELCWUDQSA-N 1 0 429.498 3.420 50 30 IGEARO CNS(=O)(=O)c1ccc(C[N+](=O)[C@H]2N(Cc3ccccc3)C(=S)SC2(C)C)cc1 ZINC000008951275 569489879 /nfs/dbraw/zinc/48/98/79/569489879.db2.gz JFKRQKRKKFXDEQ-NLKUQUHMSA-N 1 0 449.623 3.163 50 30 IGEARO COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000009015295 569496693 /nfs/dbraw/zinc/49/66/93/569496693.db2.gz BOLUAHJTTSXMQB-NYHFZMIOSA-N 1 0 436.508 3.159 50 30 IGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1cc(OC)ccc1OC ZINC000009065204 569499694 /nfs/dbraw/zinc/49/96/94/569499694.db2.gz MCXHSCOXKYTKAS-MRJHHRETSA-N 1 0 442.512 3.450 50 30 IGEARO Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@@H]1c1ccc(C)cc1 ZINC000009270614 569517624 /nfs/dbraw/zinc/51/76/24/569517624.db2.gz ZBODQABTDIIJRY-OBVHCKHUSA-N 1 0 432.524 3.243 50 30 IGEARO Cc1ccc([C@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CCC[NH+](C)C)o1 ZINC000009271604 569517801 /nfs/dbraw/zinc/51/78/01/569517801.db2.gz JEEJERWEYBQNTN-MOBKVPTQSA-N 1 0 448.523 3.456 50 30 IGEARO N#Cc1ccsc1NC(=O)CC[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000009663514 569557276 /nfs/dbraw/zinc/55/72/76/569557276.db2.gz HEZRUNLTPPCUBV-UHFFFAOYSA-N 1 0 426.498 3.028 50 30 IGEARO C#CCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)noc1N1CCSCC1)CC(C)C ZINC000036249931 518302804 /nfs/dbraw/zinc/30/28/04/518302804.db2.gz MWHKJGRUIIPKPE-NRFANRHFSA-N 1 0 443.613 3.364 50 30 IGEARO CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccncc2)cc1 ZINC000102170260 519761985 /nfs/dbraw/zinc/76/19/85/519761985.db2.gz YKCLDJRAXKGKEX-HOGKFDNTSA-N 1 0 437.540 3.490 50 30 IGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@H]1c1ccncc1 ZINC000102875656 520600133 /nfs/dbraw/zinc/60/01/33/520600133.db2.gz PFRUIBXDGRBZJJ-SELCWUDQSA-N 1 0 428.558 3.309 50 30 IGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1cc(OC)ccc1OC ZINC000009271653 520654601 /nfs/dbraw/zinc/65/46/01/520654601.db2.gz YSBRVJOOXLAAAE-NHFXJNLRSA-N 1 0 428.485 3.060 50 30 IGEARO COc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCC[NH+](C)C)c1OC ZINC000013571591 524109055 /nfs/dbraw/zinc/10/90/55/524109055.db2.gz IDHYQLSDRASBOX-LJQANCHMSA-N 1 0 428.485 3.135 50 30 IGEARO COc1ccc(N2CC[NH+](C[C@@H]3C(=O)O[C@@H]4C5=C(C)C(=O)C=C[C@]5(C)CC[C@@H]34)CC2)cc1 ZINC000061991194 524427445 /nfs/dbraw/zinc/42/74/45/524427445.db2.gz CHDIGQLUUHEUJK-COLUHYSYSA-N 1 0 436.552 3.231 50 30 IGEARO COc1cccc([C@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000013728524 556721260 /nfs/dbraw/zinc/72/12/60/556721260.db2.gz VHVWSMHYMHLDAJ-NRFANRHFSA-N 1 0 442.487 3.373 50 30 IGEARO COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1ccccn1 ZINC000013729818 556721502 /nfs/dbraw/zinc/72/15/02/556721502.db2.gz XYKHHJSYOUKHHX-LJQANCHMSA-N 1 0 429.904 3.274 50 30 IGEARO COc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CC[NH+](C)C)c1OC ZINC000020029461 556968411 /nfs/dbraw/zinc/96/84/11/556968411.db2.gz KJCFXLBVBMLNSD-LJQANCHMSA-N 1 0 444.915 3.497 50 30 IGEARO COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC[NH+](C)C)c1OC ZINC000020109603 556984450 /nfs/dbraw/zinc/98/44/50/556984450.db2.gz AQJCJYQQKLLPBA-FQEVSTJZSA-N 1 0 442.487 3.373 50 30 IGEARO COc1ccc(OC)c([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000020136246 556988402 /nfs/dbraw/zinc/98/84/02/556988402.db2.gz FWKHSAQVQNTSCY-LJQANCHMSA-N 1 0 430.526 3.295 50 30 IGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@H]1c1ccncc1 ZINC000020219526 556999843 /nfs/dbraw/zinc/99/98/43/556999843.db2.gz WKHCZTZSBPFOGB-GOSISDBHSA-N 1 0 428.558 3.465 50 30 IGEARO Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1cccc(OC(C)C)c1 ZINC000102746040 557378034 /nfs/dbraw/zinc/37/80/34/557378034.db2.gz SUYGBRQKWUXGKN-MRJHHRETSA-N 1 0 440.544 3.187 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(F)cc2)c(OC)c1 ZINC000102747263 557378383 /nfs/dbraw/zinc/37/83/83/557378383.db2.gz LGYMJBLDBLRBHX-JBCNATCCSA-N 1 0 442.487 3.216 50 30 IGEARO COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000102890911 557405445 /nfs/dbraw/zinc/40/54/45/557405445.db2.gz NOIHRFZSKCIVKX-IUOUCKIRSA-N 1 0 436.508 3.002 50 30 IGEARO C=C(C)CN1c2ccccc2[C@@]2([NH2+][C@H](C)[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]32)C1=O ZINC000103012526 557415776 /nfs/dbraw/zinc/41/57/76/557415776.db2.gz CKBGXXAFTSIZQL-GKUGODBBSA-N 1 0 435.911 3.256 50 30 IGEARO C=CCN1c2ccccc2[C@@]2([NH2+][C@H](CC)[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]32)C1=O ZINC000103129993 568805796 /nfs/dbraw/zinc/80/57/96/568805796.db2.gz JACYHYKXQAODKK-JSAFQYNZSA-N 1 0 435.911 3.256 50 30 IGEARO C=CCN1c2ccccc2[C@@]2([NH2+][C@H](CC(C)C)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]32)C1=O ZINC000169620702 568883772 /nfs/dbraw/zinc/88/37/72/568883772.db2.gz GZLMWBMCALCJPM-MRESPNAKSA-N 1 0 429.520 3.238 50 30 IGEARO C[C@@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000170597296 569142054 /nfs/dbraw/zinc/14/20/54/569142054.db2.gz MWWWFEJFGHWCNM-IBGZPJMESA-N 1 0 428.540 3.483 50 30 IGEARO COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000020133225 569335556 /nfs/dbraw/zinc/33/55/56/569335556.db2.gz VKRMJTNKNNRVDL-FQEVSTJZSA-N 1 0 439.468 3.133 50 30 IGEARO Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000020219318 569356765 /nfs/dbraw/zinc/35/67/65/569356765.db2.gz DMJUNCDHMCHQQE-QFIPXVFZSA-N 1 0 436.508 3.296 50 30 IGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000020219557 569356868 /nfs/dbraw/zinc/35/68/68/569356868.db2.gz LWRQORWTEIRUAD-OAQYLSRUSA-N 1 0 439.512 3.019 50 30 IGEARO COc1ccc(CC[NH2+]C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@@H]4C[C@@H]32)cc1OC ZINC000004082205 569458710 /nfs/dbraw/zinc/45/87/10/569458710.db2.gz UABYFWCFZIPIIH-JIAZJEIESA-N 1 0 429.557 3.363 50 30 IGEARO COc1ccc(OC)c([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000008905504 569484642 /nfs/dbraw/zinc/48/46/42/569484642.db2.gz KCUAIRMORGPZOA-LFVOPCPISA-N 1 0 430.526 3.139 50 30 IGEARO C=CCOc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000008983176 569494606 /nfs/dbraw/zinc/49/46/06/569494606.db2.gz RWBFCMUMTYAOSJ-LJQANCHMSA-N 1 0 441.553 3.465 50 30 IGEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccccc2OC)cc1 ZINC000009007640 569496189 /nfs/dbraw/zinc/49/61/89/569496189.db2.gz YMQOJQVHHVUZHI-HOGKFDNTSA-N 1 0 436.508 3.243 50 30 IGEARO CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000009046247 569498317 /nfs/dbraw/zinc/49/83/17/569498317.db2.gz ACPLLWPOMRRTRJ-HOGKFDNTSA-N 1 0 438.524 3.467 50 30 IGEARO CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CC[NH+](C)C)cc1OCC ZINC000009177670 569509694 /nfs/dbraw/zinc/50/96/94/569509694.db2.gz LDWZDGNRGPFZQT-NHFXJNLRSA-N 1 0 428.485 3.060 50 30 IGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2c(C)nc3ccccn32)[C@@H]1c1ccco1 ZINC000009184831 569509991 /nfs/dbraw/zinc/50/99/91/569509991.db2.gz XCJBTYAJQJGWHB-PGVNHDJNSA-N 1 0 436.512 3.389 50 30 IGEARO C#CCOC[C@H](O)C[N@@H+](CCCOC)Cc1c(-c2ccccc2)noc1N1CCCCC1 ZINC000036313029 518307806 /nfs/dbraw/zinc/30/78/06/518307806.db2.gz WZULRBCIXDOZRJ-JOCHJYFZSA-N 1 0 441.572 3.181 50 30 IGEARO C=CCc1cc(C[N@@H+]2CCCN(S(=O)(=O)c3ccc(C)cc3)CC2)c(O)c(OC)c1 ZINC000012796095 519130136 /nfs/dbraw/zinc/13/01/36/519130136.db2.gz DCHMHXNSKFHXMS-UHFFFAOYSA-N 1 0 430.570 3.334 50 30 IGEARO C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([NH2+]Cc1cc(F)ccc1F)C2 ZINC000014733162 519289839 /nfs/dbraw/zinc/28/98/39/519289839.db2.gz LQFZTBNSQKVJQP-QGZVFWFLSA-N 1 0 432.540 3.183 50 30 IGEARO CCCC[N@H+](C)C[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000328593875 520412336 /nfs/dbraw/zinc/41/23/36/520412336.db2.gz UCMSQNZJHHBZDA-OAHLLOKOSA-N 1 0 431.549 3.442 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc(F)c2)c(OC)c1 ZINC000013692862 523553371 /nfs/dbraw/zinc/55/33/71/523553371.db2.gz MOQVRJWRDDMVPU-OAQYLSRUSA-N 1 0 442.487 3.373 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccs2)c(OC)c1 ZINC000013719363 523553498 /nfs/dbraw/zinc/55/34/98/523553498.db2.gz XTDRHTFMGWOWEM-IBGZPJMESA-N 1 0 430.526 3.295 50 30 IGEARO C[C@@H]([NH2+]CC(=O)Nc1ccc(S(=O)(=O)N=C2CCCCCN2)cc1)c1ccccc1 ZINC000013039295 525412094 /nfs/dbraw/zinc/41/20/94/525412094.db2.gz LMEQZCKVRDTONK-QGZVFWFLSA-N 1 0 428.558 3.227 50 30 IGEARO Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1cccc(Cl)c1 ZINC000013691365 527605479 /nfs/dbraw/zinc/60/54/79/527605479.db2.gz UHFFWPBAVXXKCH-IBGZPJMESA-N 1 0 430.936 3.220 50 30 IGEARO CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccccc3C#N)[NH+]3CCCCC3)ccc21 ZINC000009138175 536397610 /nfs/dbraw/zinc/39/76/10/536397610.db2.gz PRAHPFJTGCUMGC-DEOSSOPVSA-N 1 0 445.567 3.223 50 30 IGEARO COc1cccc(N2CC[NH+](C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@]6(CO6)[C@H]5C[C@H]34)CC2)c1 ZINC000229992588 556433379 /nfs/dbraw/zinc/43/33/79/556433379.db2.gz SGDNDBSJHXDOKR-YPROMPOGSA-N 1 0 440.584 3.344 50 30 IGEARO Cc1ncc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc(OC(C)C)c2)c(C)n1 ZINC000013732074 556720796 /nfs/dbraw/zinc/72/07/96/556720796.db2.gz AIYPQXKRBKIGHB-NRFANRHFSA-N 1 0 438.528 3.021 50 30 IGEARO COc1ccccc1N1CC[NH+](C[C@H]2C(=O)O[C@]34[C@@H]5O[C@]5(C)CC[C@H]3[C@H](C)CC[C@@H]24)CC1 ZINC000061997565 556763800 /nfs/dbraw/zinc/76/38/00/556763800.db2.gz SRNHEUPEANGIAG-WWWKSYCSSA-N 1 0 440.584 3.343 50 30 IGEARO COc1ccc(C(=O)/C=C/c2cn(C[C@@H](O)CN3CC[NH+](C)CC3)c3ccccc23)cc1 ZINC000019901302 556941993 /nfs/dbraw/zinc/94/19/93/556941993.db2.gz YAZNRJMYUBQGGZ-FQTAANOTSA-N 1 0 433.552 3.154 50 30 IGEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(OC)cc2)cc1 ZINC000020170993 556994834 /nfs/dbraw/zinc/99/48/34/556994834.db2.gz PGAAKIUQRZMPJT-QFIPXVFZSA-N 1 0 436.508 3.400 50 30 IGEARO COc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC ZINC000020265623 557004434 /nfs/dbraw/zinc/00/44/34/557004434.db2.gz SICIVVVNDVBRRO-IBGZPJMESA-N 1 0 430.526 3.295 50 30 IGEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@H]2c2ccccn2)cc1 ZINC000101288091 557268258 /nfs/dbraw/zinc/26/82/58/557268258.db2.gz LWBUDMLXVUYDLN-MOBKVPTQSA-N 1 0 435.524 3.410 50 30 IGEARO Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1cccc(OC(C)C)c1 ZINC000102746043 557378151 /nfs/dbraw/zinc/37/81/51/557378151.db2.gz SUYGBRQKWUXGKN-JBCNATCCSA-N 1 0 440.544 3.187 50 30 IGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1cccnc1 ZINC000102866666 557404653 /nfs/dbraw/zinc/40/46/53/557404653.db2.gz ANMPJKBSERUKGB-GHNGSUTGSA-N 1 0 428.558 3.309 50 30 IGEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccncc2)cc1Cl ZINC000102883083 557408830 /nfs/dbraw/zinc/40/88/30/557408830.db2.gz XFKUCJKQHGMNHB-LFVOPCPISA-N 1 0 429.904 3.117 50 30 IGEARO C#CCOC[C@H](O)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104985074 568623669 /nfs/dbraw/zinc/62/36/69/568623669.db2.gz KUWPMXAOQKEIJM-FGZHOGPDSA-N 1 0 430.907 3.485 50 30 IGEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1F ZINC000016731431 568792543 /nfs/dbraw/zinc/79/25/43/568792543.db2.gz PVNWLLZWDVVBLL-LJQANCHMSA-N 1 0 427.432 3.182 50 30 IGEARO CC#CCN1C(=O)N[C@@](CCc2ccccc2)(C2CC[NH+](Cc3ccccn3)CC2)C1=O ZINC000011790846 568820648 /nfs/dbraw/zinc/82/06/48/568820648.db2.gz MERGWQMHDDESHO-SANMLTNESA-N 1 0 430.552 3.240 50 30 IGEARO C=CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([NH+]1CCC(Cc3ccccc3)CC1)C2 ZINC000014755205 568826967 /nfs/dbraw/zinc/82/69/67/568826967.db2.gz MCPFZFKCWBUZGD-HSZRJFAPSA-N 1 0 448.611 3.354 50 30 IGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1ccc(O)cc1 ZINC000006193536 568876604 /nfs/dbraw/zinc/87/66/04/568876604.db2.gz OKMRHADTLAHXMC-MOBKVPTQSA-N 1 0 438.524 3.473 50 30 IGEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1F ZINC000023230419 569180082 /nfs/dbraw/zinc/18/00/82/569180082.db2.gz GXXDOLKGXNPKPS-IBGZPJMESA-N 1 0 427.432 3.182 50 30 IGEARO COc1cccc(N2CC[NH+](C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)[C@@]56O[C@H]6[C@H]34)CC2)c1 ZINC000059409342 569461217 /nfs/dbraw/zinc/46/12/17/569461217.db2.gz BWCCPKOGNYJWSN-XQDLNMBRSA-N 1 0 440.584 3.343 50 30 IGEARO Cc1c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(F)cc2)cnn1-c1ccccc1 ZINC000008902871 569484421 /nfs/dbraw/zinc/48/44/21/569484421.db2.gz CXBAZUMTXMHNND-JOCHJYFZSA-N 1 0 448.498 3.460 50 30 IGEARO CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC000040149641 569492595 /nfs/dbraw/zinc/49/25/95/569492595.db2.gz CGGVPONFUGTVFS-SFTDATJTSA-N 1 0 426.561 3.286 50 30 IGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1cccnc1 ZINC000009177862 569509787 /nfs/dbraw/zinc/50/97/87/569509787.db2.gz MPQQJTISSCWSDC-GHNGSUTGSA-N 1 0 444.329 3.218 50 30 IGEARO Cc1ccc([C@@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CCC[NH+](C)C)o1 ZINC000009271603 569517847 /nfs/dbraw/zinc/51/78/47/569517847.db2.gz JEEJERWEYBQNTN-HOGKFDNTSA-N 1 0 448.523 3.456 50 30 IGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(O)cc1 ZINC000009374370 569527149 /nfs/dbraw/zinc/52/71/49/569527149.db2.gz OTCSUPWDNDNPSN-HOGKFDNTSA-N 1 0 438.524 3.473 50 30 IGEARO C#CCOC[C@@H](O)C[N@@H+](Cc1cccc(OC)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146717 518306095 /nfs/dbraw/zinc/30/60/95/518306095.db2.gz OFQZXAZXDWSKJE-JTHBVZDNSA-N 1 0 442.943 3.355 50 30 IGEARO C=CCC[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)Nc3ccc(C)c(Cl)c3)co2)CC1 ZINC000034677564 518717701 /nfs/dbraw/zinc/71/77/01/518717701.db2.gz MNCRBSCQOZNUDJ-GOSISDBHSA-N 1 0 432.952 3.333 50 30 IGEARO CCN(CC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)c1ccc(C#CC(C)(C)O)cc1 ZINC000012303155 520978340 /nfs/dbraw/zinc/97/83/40/520978340.db2.gz ZSAVEPZOSYTIPG-UHFFFAOYSA-N 1 0 425.617 3.077 50 30 IGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1cccnc1 ZINC000019884927 524054807 /nfs/dbraw/zinc/05/48/07/524054807.db2.gz SZHKAAQNDJFQAU-SFHVURJKSA-N 1 0 444.329 3.374 50 30 IGEARO C[C@H]([NH2+]CC(=O)Nc1ccc(S(=O)(=O)N=C2CCCCCN2)cc1)c1ccccc1 ZINC000013039296 525306769 /nfs/dbraw/zinc/30/67/69/525306769.db2.gz LMEQZCKVRDTONK-KRWDZBQOSA-N 1 0 428.558 3.227 50 30 IGEARO Cc1c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccccc2)cnn1-c1ccccc1 ZINC000009236105 525553138 /nfs/dbraw/zinc/55/31/38/525553138.db2.gz IPWZJFBKKCYLCR-QFIPXVFZSA-N 1 0 430.508 3.321 50 30 IGEARO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(C(=O)NCc3ccccc3)CC1)CCC2 ZINC000012782227 526532315 /nfs/dbraw/zinc/53/23/15/526532315.db2.gz UXOOOJBQYSDSCT-UHFFFAOYSA-N 1 0 436.581 3.465 50 30 IGEARO COc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCC[NH+](C)C)c1OC ZINC000008743981 556208506 /nfs/dbraw/zinc/20/85/06/556208506.db2.gz ZOBWJZAZRPBELF-SELCWUDQSA-N 1 0 430.526 3.139 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1C ZINC000008837388 556226078 /nfs/dbraw/zinc/22/60/78/556226078.db2.gz SMAJAGIBECSYJH-HXUWFJFHSA-N 1 0 439.468 3.052 50 30 IGEARO Cc1ccc(S(=O)(=O)NC2=C([n+]3cc(C)cc(C)c3)C(=O)c3ccccc3C2=O)cc1 ZINC000011851718 556367592 /nfs/dbraw/zinc/36/75/92/556367592.db2.gz POGMHBYTYZTKFZ-UHFFFAOYSA-O 1 0 433.509 3.126 50 30 IGEARO COc1cccc(N2CC[NH+](C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)[C@@]56O[C@H]6[C@@H]43)CC2)c1 ZINC000061991222 556766905 /nfs/dbraw/zinc/76/69/05/556766905.db2.gz BWCCPKOGNYJWSN-XSWJKVCQSA-N 1 0 440.584 3.343 50 30 IGEARO Cc1cc(O)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1C ZINC000020309877 557007260 /nfs/dbraw/zinc/00/72/60/557007260.db2.gz SNWTYXLDFVWVFR-FQEVSTJZSA-N 1 0 439.468 3.057 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2OC)cc1F ZINC000102736101 557373153 /nfs/dbraw/zinc/37/31/53/557373153.db2.gz WGSADLURFBGHAB-MRJHHRETSA-N 1 0 442.487 3.216 50 30 IGEARO Cc1c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccs2)cnn1-c1ccccc1 ZINC000102862792 557403340 /nfs/dbraw/zinc/40/33/40/557403340.db2.gz YBNCMYGUSDMZHE-YDJIHCHBSA-N 1 0 436.537 3.226 50 30 IGEARO COCCNC1=[NH+]c2ncccc2NC12CCN(C(=O)c1ccc(F)c(Cl)c1)CC2 ZINC000096309689 557776471 /nfs/dbraw/zinc/77/64/71/557776471.db2.gz OLCGVIOWBINNSR-UHFFFAOYSA-N 1 0 431.899 3.431 50 30 IGEARO COC(=O)C[N@@+]1(C)CCc2c(c(OC)c3c(c2C(=O)/C=C/c2ccc(F)cc2)OCO3)C1 ZINC000252441379 569183695 /nfs/dbraw/zinc/18/36/95/569183695.db2.gz SULZKVHSVVGWNR-MDRWGITRSA-N 1 0 442.463 3.135 50 30 IGEARO Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@@H]1c1ccc(C)cc1 ZINC000020219544 569356855 /nfs/dbraw/zinc/35/68/55/569356855.db2.gz VWBUMPRGVYBDBO-OAQYLSRUSA-N 1 0 432.524 3.399 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccccc2OC)cc1Cl ZINC000020228257 569357041 /nfs/dbraw/zinc/35/70/41/569357041.db2.gz UIHJWQKAXABDOV-HXUWFJFHSA-N 1 0 444.915 3.497 50 30 IGEARO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)NCCSCc1ccccc1C#N ZINC000028724777 569418830 /nfs/dbraw/zinc/41/88/30/569418830.db2.gz BDCGNBFFLXOICS-GOSISDBHSA-N 1 0 434.569 3.181 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(Cl)cc2)cc1OC ZINC000008921604 569486847 /nfs/dbraw/zinc/48/68/47/569486847.db2.gz ZKPWHICTTBWCMQ-NHFXJNLRSA-N 1 0 444.915 3.341 50 30 IGEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000009046268 569498297 /nfs/dbraw/zinc/49/82/97/569498297.db2.gz QYIMESINAYMPMF-HOGKFDNTSA-N 1 0 438.524 3.467 50 30 IGEARO Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1ccccc1 ZINC000009046447 569498398 /nfs/dbraw/zinc/49/83/98/569498398.db2.gz UPVLRPQBCKTSIB-NRFANRHFSA-N 1 0 432.524 3.481 50 30 IGEARO CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1OC ZINC000009186455 569510163 /nfs/dbraw/zinc/51/01/63/569510163.db2.gz LOIIZOFEJSIEBL-MOBKVPTQSA-N 1 0 438.524 3.386 50 30 IGEARO COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccs2)c1C ZINC000009234709 569514021 /nfs/dbraw/zinc/51/40/21/569514021.db2.gz WIPYDOWXUHKMNA-SFHVURJKSA-N 1 0 445.541 3.010 50 30 IGEARO C#CCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)noc1N1CCSCC1)CC(C)C ZINC000036249932 518310169 /nfs/dbraw/zinc/31/01/69/518310169.db2.gz MWHKJGRUIIPKPE-OAQYLSRUSA-N 1 0 443.613 3.364 50 30 IGEARO C=CCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)noc1N1CCSCC1)C1CC1 ZINC000036249950 518985768 /nfs/dbraw/zinc/98/57/68/518985768.db2.gz NIJUZTYXLXHPAZ-FQEVSTJZSA-N 1 0 429.586 3.423 50 30 IGEARO C=CCOC[C@@H](O)C[N@@H+](Cc1cccc(OC)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146877 518989069 /nfs/dbraw/zinc/98/90/69/518989069.db2.gz KGRFGQQSWBALAH-GMAHTHKFSA-N 1 0 428.504 3.393 50 30 IGEARO C=CCOc1c(Br)cc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1OC ZINC000012520297 519003424 /nfs/dbraw/zinc/00/34/24/519003424.db2.gz MFODJODTALNQRT-KRWDZBQOSA-N 1 0 428.290 3.469 50 30 IGEARO CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)N(C)CCC#N)[NH+](C)C ZINC000048333508 519794130 /nfs/dbraw/zinc/79/41/30/519794130.db2.gz DMMYAJYBZZRCFL-GOSISDBHSA-N 1 0 435.421 3.472 50 30 IGEARO CCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000009240094 521233575 /nfs/dbraw/zinc/23/35/75/521233575.db2.gz FPEZWCBRLDVMHM-HOGKFDNTSA-N 1 0 438.524 3.467 50 30 IGEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000008817276 521753935 /nfs/dbraw/zinc/75/39/35/521753935.db2.gz KWVMNLZKGYXDBR-YDJIHCHBSA-N 1 0 435.436 3.324 50 30 IGEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000020134374 521754064 /nfs/dbraw/zinc/75/40/64/521754064.db2.gz KKCOPLYCUUVKHM-FQEVSTJZSA-N 1 0 435.436 3.481 50 30 IGEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccncc2)cc1Cl ZINC000009044241 556242401 /nfs/dbraw/zinc/24/24/01/556242401.db2.gz JDQOWFLMCMQYIS-IBGZPJMESA-N 1 0 429.904 3.274 50 30 IGEARO C=CCc1ccc(OCC(=O)NCc2ccccc2CN2CC[NH+](CC)CC2)c(OC)c1 ZINC000032915642 556613038 /nfs/dbraw/zinc/61/30/38/556613038.db2.gz YBANMAMMLSWHBZ-UHFFFAOYSA-N 1 0 437.584 3.256 50 30 IGEARO COc1ccc([C@@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000013730695 556720582 /nfs/dbraw/zinc/72/05/82/556720582.db2.gz VSSFVAILQZDEDQ-OAQYLSRUSA-N 1 0 442.487 3.373 50 30 IGEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000020170995 556994867 /nfs/dbraw/zinc/99/48/67/556994867.db2.gz PGAAKIUQRZMPJT-JOCHJYFZSA-N 1 0 436.508 3.400 50 30 IGEARO C=C(C)CN1c2ccccc2[C@@]2([NH2+][C@H](C)[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]32)C1=O ZINC000017992927 557136702 /nfs/dbraw/zinc/13/67/02/557136702.db2.gz CKBGXXAFTSIZQL-AJQRVKNESA-N 1 0 435.911 3.256 50 30 IGEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@@H]2c2ccccn2)cc1 ZINC000101288089 557268368 /nfs/dbraw/zinc/26/83/68/557268368.db2.gz LWBUDMLXVUYDLN-HOGKFDNTSA-N 1 0 435.524 3.410 50 30 IGEARO COc1ccc([C@H](CNC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)[NH+]2CCCC2)cc1 ZINC000014066536 557293196 /nfs/dbraw/zinc/29/31/96/557293196.db2.gz HYGLEWPAIDMXMV-VWLOTQADSA-N 1 0 447.583 3.231 50 30 IGEARO CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(O)cc2)cc1 ZINC000102169995 557313962 /nfs/dbraw/zinc/31/39/62/557313962.db2.gz IUPVHIDYLXNDSG-MOBKVPTQSA-N 1 0 438.524 3.410 50 30 IGEARO C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CC[NH+](C)C)[C@@H]3c3ccc(N(C)C)cc3)ccc2O1 ZINC000102735190 557373014 /nfs/dbraw/zinc/37/30/14/557373014.db2.gz RZOJPHISEJLLDP-FIMCBBJJSA-N 1 0 449.551 3.059 50 30 IGEARO COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1ccccn1 ZINC000102740758 557375988 /nfs/dbraw/zinc/37/59/88/557375988.db2.gz VXTZALAALSTDLS-WOOAAIBNSA-N 1 0 429.904 3.117 50 30 IGEARO COc1ccccc1[C@@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1CC[NH+](C)C ZINC000102895226 557406106 /nfs/dbraw/zinc/40/61/06/557406106.db2.gz PWVRJEPXXBORRF-HOGKFDNTSA-N 1 0 438.524 3.466 50 30 IGEARO C=CCN1c2ccccc2[C@@]2([NH2+][C@H](CCCC)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1=O ZINC000100753085 568803585 /nfs/dbraw/zinc/80/35/85/568803585.db2.gz RBRWKEPTKIZNHP-BYQMVHIGSA-N 1 0 443.547 3.378 50 30 IGEARO CCOc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000020133167 569335537 /nfs/dbraw/zinc/33/55/37/569335537.db2.gz GDVPBEXELRUELV-SFHVURJKSA-N 1 0 429.542 3.299 50 30 IGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2c(C)nc3ccccn32)[C@@H]1c1ccncc1 ZINC000020219803 569356865 /nfs/dbraw/zinc/35/68/65/569356865.db2.gz BLIZMDAYYGBTSZ-QFIPXVFZSA-N 1 0 447.539 3.348 50 30 IGEARO CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CC[NH+](C)C)cc1OC ZINC000020262981 569358533 /nfs/dbraw/zinc/35/85/33/569358533.db2.gz CPOUIRGXVPOKDR-IBGZPJMESA-N 1 0 430.526 3.295 50 30 IGEARO Cc1c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(C)cc2)cnn1-c1ccccc1 ZINC000009008090 569496204 /nfs/dbraw/zinc/49/62/04/569496204.db2.gz JGCQOUZRZXVLQY-ZHHPLPSFSA-N 1 0 444.535 3.472 50 30 IGEARO COc1cccc([C@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000009067140 569499944 /nfs/dbraw/zinc/49/99/44/569499944.db2.gz MODGYHMYOIXCNQ-QFIPXVFZSA-N 1 0 448.523 3.181 50 30 IGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc(OC)c1 ZINC000009173195 569509643 /nfs/dbraw/zinc/50/96/43/569509643.db2.gz XGIGPNCKSIOIAU-HOGKFDNTSA-N 1 0 438.524 3.467 50 30 IGEARO C#CCOC[C@@H](O)C[N@@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1 ZINC000036301535 518300859 /nfs/dbraw/zinc/30/08/59/518300859.db2.gz HZELMTHZEGRKSS-QFIPXVFZSA-N 1 0 449.551 3.339 50 30 IGEARO C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH2+]CCc1ccc(F)cc1)C2 ZINC000014749096 519290010 /nfs/dbraw/zinc/29/00/10/519290010.db2.gz YJXRBAKUEAEZJW-IBGZPJMESA-N 1 0 428.577 3.087 50 30 IGEARO Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1ccc(Cl)cc1 ZINC000013684884 527605219 /nfs/dbraw/zinc/60/52/19/527605219.db2.gz GSAPDUCSWSJTGI-LJQANCHMSA-N 1 0 430.936 3.220 50 30 IGEARO COC(=O)c1ccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000013730220 556721485 /nfs/dbraw/zinc/72/14/85/556721485.db2.gz YXMVZWYXRKIPQM-NRFANRHFSA-N 1 0 447.491 3.094 50 30 IGEARO COc1ccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2CC[NH+](C)C)cc1OC ZINC000013734718 556721911 /nfs/dbraw/zinc/72/19/11/556721911.db2.gz TWKGSNWACJCWLG-JOCHJYFZSA-N 1 0 449.507 3.325 50 30 IGEARO COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]3c3cccnc3)oc21 ZINC000020219434 556999647 /nfs/dbraw/zinc/99/96/47/556999647.db2.gz YRDISLXAXIGGLJ-HXUWFJFHSA-N 1 0 435.480 3.366 50 30 IGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(C)o1 ZINC000020291577 557005837 /nfs/dbraw/zinc/00/58/37/557005837.db2.gz GKHZWTDWSIMJJC-NRFANRHFSA-N 1 0 440.496 3.279 50 30 IGEARO N#Cc1ccccc1CSCCNC(=O)CN1CCC(C(=O)Nc2ccccc2)CC1 ZINC000024856484 557168911 /nfs/dbraw/zinc/16/89/11/557168911.db2.gz ATZKPFRMRZHESW-UHFFFAOYSA-N 1 0 436.581 3.258 50 30 IGEARO CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](C)C)cc1OCC ZINC000102488709 557331914 /nfs/dbraw/zinc/33/19/14/557331914.db2.gz KZMGYBDTXNYVSH-HOGKFDNTSA-N 1 0 438.524 3.467 50 30 IGEARO CCOc1ccccc1[C@H]1C(C(=O)c2ccc(OC)c(C)c2)=C(O)C(=O)N1CC[NH+](C)C ZINC000102493094 557335353 /nfs/dbraw/zinc/33/53/53/557335353.db2.gz PMYVDDFDPGBYRS-MOBKVPTQSA-N 1 0 438.524 3.386 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccs2)c(OC)c1 ZINC000102739066 557380296 /nfs/dbraw/zinc/38/02/96/557380296.db2.gz YFCIIWIXMDBEEJ-WOOAAIBNSA-N 1 0 430.526 3.139 50 30 IGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1cccc(Br)c1 ZINC000104189286 557452494 /nfs/dbraw/zinc/45/24/94/557452494.db2.gz DHEKSKAQXPZOPS-GROYHEBESA-N 1 0 433.302 3.416 50 30 IGEARO Cc1c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccs2)cnn1-c1ccccc1 ZINC000004042114 562941323 /nfs/dbraw/zinc/94/13/23/562941323.db2.gz HGDWZPLKFIHLJB-FQEVSTJZSA-N 1 0 436.537 3.382 50 30 IGEARO COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000020150018 569336357 /nfs/dbraw/zinc/33/63/57/569336357.db2.gz GNWISGDTDXOBGH-HXUWFJFHSA-N 1 0 439.468 3.133 50 30 IGEARO COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000008838129 569478265 /nfs/dbraw/zinc/47/82/65/569478265.db2.gz IWDNHFKRGIXOHM-JBCNATCCSA-N 1 0 442.487 3.216 50 30 IGEARO CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000009046249 569498267 /nfs/dbraw/zinc/49/82/67/569498267.db2.gz ACPLLWPOMRRTRJ-MOBKVPTQSA-N 1 0 438.524 3.467 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccccc2F)cc1Cl ZINC000009065601 569499680 /nfs/dbraw/zinc/49/96/80/569499680.db2.gz QMEOOQIPEYGOSJ-WOOAAIBNSA-N 1 0 432.879 3.471 50 30 IGEARO CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC ZINC000009177965 569509778 /nfs/dbraw/zinc/50/97/78/569509778.db2.gz RAFFLJPWSRZQDG-NHFXJNLRSA-N 1 0 428.485 3.060 50 30 IGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000009270777 569517641 /nfs/dbraw/zinc/51/76/41/569517641.db2.gz KOBNNPMEKRHQJJ-MOBKVPTQSA-N 1 0 438.524 3.467 50 30 IGEARO C#CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)noc1N(CC)CC)C[C@H]1CCCO1 ZINC000036245897 518302250 /nfs/dbraw/zinc/30/22/50/518302250.db2.gz NFBPLVVTNWPSNV-FCHUYYIVSA-N 1 0 441.572 3.180 50 30 IGEARO C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000022275831 519047315 /nfs/dbraw/zinc/04/73/15/519047315.db2.gz VGKCNJSBKSMGIE-QFIPXVFZSA-N 1 0 436.508 3.400 50 30 IGEARO CC#CCN1C(=O)N[C@@](CCc2ccccc2)(C2CC[NH+](Cc3ccncc3)CC2)C1=O ZINC000012246885 519340055 /nfs/dbraw/zinc/34/00/55/519340055.db2.gz RJNSFNZUPHJQNK-SANMLTNESA-N 1 0 430.552 3.240 50 30 IGEARO CC(=O)Nc1ccc(N2C(=O)C[n+]3ccccc3[C@@]2(C)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000013366962 519721165 /nfs/dbraw/zinc/72/11/65/519721165.db2.gz GNRVWVQKZXFWCP-DEOSSOPVSA-O 1 0 449.918 3.487 50 30 IGEARO CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CC[NH+](C)C)cc1OCC ZINC000009177665 521232920 /nfs/dbraw/zinc/23/29/20/521232920.db2.gz LDWZDGNRGPFZQT-YDJIHCHBSA-N 1 0 428.485 3.060 50 30 IGEARO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccs2)c1C ZINC000013692615 521360978 /nfs/dbraw/zinc/36/09/78/521360978.db2.gz CZQRRBSHYFNHDY-SFHVURJKSA-N 1 0 445.541 3.010 50 30 IGEARO C=CCC[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)Nc3ccc(C)c(Cl)c3)co2)CC1 ZINC000034677565 555795687 /nfs/dbraw/zinc/79/56/87/555795687.db2.gz MNCRBSCQOZNUDJ-SFHVURJKSA-N 1 0 432.952 3.333 50 30 IGEARO COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000016805249 556643358 /nfs/dbraw/zinc/64/33/58/556643358.db2.gz CSEIDHIJPJSCID-OAQYLSRUSA-N 1 0 442.487 3.373 50 30 IGEARO COC(=O)c1ccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000013730223 556721433 /nfs/dbraw/zinc/72/14/33/556721433.db2.gz YXMVZWYXRKIPQM-OAQYLSRUSA-N 1 0 447.491 3.094 50 30 IGEARO CNS(=O)(=O)c1ccc(C[N+](=O)[C@@H]2N(c3ccccc3)C(=S)SC2(C)C)cc1 ZINC000005493839 556818584 /nfs/dbraw/zinc/81/85/84/556818584.db2.gz QLBZSSBLPANOPC-OJSPLJLUSA-N 1 0 435.596 3.167 50 30 IGEARO COc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CC[NH+](C)C)c1OC ZINC000020029460 556968348 /nfs/dbraw/zinc/96/83/48/556968348.db2.gz KJCFXLBVBMLNSD-IBGZPJMESA-N 1 0 444.915 3.497 50 30 IGEARO C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000020263695 557004152 /nfs/dbraw/zinc/00/41/52/557004152.db2.gz JDPFSWTVGBLMNO-QFIPXVFZSA-N 1 0 436.508 3.400 50 30 IGEARO CCCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccccc1)=C(O)C(=O)N2CCC[NH+](C)C ZINC000024192933 557140108 /nfs/dbraw/zinc/14/01/08/557140108.db2.gz ZYPDPKXZNZXDSU-AREMUKBSSA-N 1 0 447.535 3.127 50 30 IGEARO COC(=O)c1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000024192960 557140365 /nfs/dbraw/zinc/14/03/65/557140365.db2.gz OXHQVVVSUUWPPX-NRFANRHFSA-N 1 0 448.475 3.359 50 30 IGEARO COc1ccc([C@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000102500776 557337893 /nfs/dbraw/zinc/33/78/93/557337893.db2.gz RTAIETSIFUKUBK-HFEWCJDKSA-N 1 0 448.523 3.025 50 30 IGEARO C=C(C)CN1c2ccccc2[C@@]2([NH2+][C@H](C)[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]32)C1=O ZINC000100162626 557339320 /nfs/dbraw/zinc/33/93/20/557339320.db2.gz CKBGXXAFTSIZQL-HRMOJPLVSA-N 1 0 435.911 3.256 50 30 IGEARO COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000102519587 557351397 /nfs/dbraw/zinc/35/13/97/557351397.db2.gz NTRPKEYPKMGWGV-HOGKFDNTSA-N 1 0 438.524 3.386 50 30 IGEARO Cc1ccc([C@@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CCC[NH+](C)C)o1 ZINC000102523314 557352944 /nfs/dbraw/zinc/35/29/44/557352944.db2.gz PGUOPVXREOPWFT-QOJBNDRUSA-N 1 0 436.512 3.226 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccc2OC)cc1C ZINC000102691887 557364271 /nfs/dbraw/zinc/36/42/71/557364271.db2.gz NXLCKPUIZVEMAJ-HOGKFDNTSA-N 1 0 438.524 3.386 50 30 IGEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH2+]CCO)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000025180093 557529099 /nfs/dbraw/zinc/52/90/99/557529099.db2.gz HEZBOSWZGWWDMH-QFIPXVFZSA-N 1 0 436.552 3.453 50 30 IGEARO COc1ccccc1N1CC[NH+](C[C@@H]2C(=O)O[C@@]34[C@H]5O[C@@]5(C)CC[C@@H]3[C@H](C)CC[C@H]24)CC1 ZINC000253487890 569283073 /nfs/dbraw/zinc/28/30/73/569283073.db2.gz SRNHEUPEANGIAG-WOKSDOSTSA-N 1 0 440.584 3.343 50 30 IGEARO CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC ZINC000009177960 569509823 /nfs/dbraw/zinc/50/98/23/569509823.db2.gz RAFFLJPWSRZQDG-YDJIHCHBSA-N 1 0 428.485 3.060 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(C)cc2)cc1OC ZINC000009241178 569514645 /nfs/dbraw/zinc/51/46/45/569514645.db2.gz YXWSFNSXJULJRD-MOBKVPTQSA-N 1 0 438.524 3.386 50 30 IGEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@H]2c2cccnc2)cc1 ZINC000009359210 569525682 /nfs/dbraw/zinc/52/56/82/569525682.db2.gz MZYKNMLDBXRPBO-MOBKVPTQSA-N 1 0 435.524 3.410 50 30 IGEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(O)cc2)cc1 ZINC000009435715 569534859 /nfs/dbraw/zinc/53/48/59/569534859.db2.gz TXYMMOCSNFNTDU-MOBKVPTQSA-N 1 0 436.508 3.330 50 30 IGEARO C#CCOC[C@H](O)C[N@@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1 ZINC000036301539 518307212 /nfs/dbraw/zinc/30/72/12/518307212.db2.gz HZELMTHZEGRKSS-JOCHJYFZSA-N 1 0 449.551 3.339 50 30 IGEARO CC(C)(C)c1cc[n+](C2=C(NS(=O)(=O)c3ccccc3)C(=O)c3ccccc3C2=O)cc1 ZINC000013635777 519006855 /nfs/dbraw/zinc/00/68/55/519006855.db2.gz QFLMQIMVEYAESD-UHFFFAOYSA-O 1 0 447.536 3.498 50 30 IGEARO CC#CCN1C(=O)N[C@](CCc2ccccc2)(C2CC[NH+](Cc3ccncc3)CC2)C1=O ZINC000012246886 519342558 /nfs/dbraw/zinc/34/25/58/519342558.db2.gz RJNSFNZUPHJQNK-AREMUKBSSA-N 1 0 430.552 3.240 50 30 IGEARO COc1c2c(cc3c1[C@H](C#CCOc1ccc4ccc(=O)oc4c1)[N+](C)(C)CC3)OCO2 ZINC000012894759 521890446 /nfs/dbraw/zinc/89/04/46/521890446.db2.gz FUFHEHOKQGEYGJ-IBGZPJMESA-N 1 0 434.468 3.286 50 30 IGEARO COc1cc(NC(=S)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c(OC)cc1Cl ZINC000004574491 556002104 /nfs/dbraw/zinc/00/21/04/556002104.db2.gz GYDXHDSTGYCPLZ-UHFFFAOYSA-N 1 0 440.997 3.080 50 30 IGEARO CC(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCN2CC[NH2+]CC2)cc1 ZINC000019923414 556944340 /nfs/dbraw/zinc/94/43/40/556944340.db2.gz IOIVYBRZBAWISO-QHCPKHFHSA-N 1 0 433.552 3.294 50 30 IGEARO COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC[NH+](C)C)c1OC ZINC000020109604 556984519 /nfs/dbraw/zinc/98/45/19/556984519.db2.gz AQJCJYQQKLLPBA-HXUWFJFHSA-N 1 0 442.487 3.373 50 30 IGEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccccc2OC)cc1 ZINC000020171999 556994855 /nfs/dbraw/zinc/99/48/55/556994855.db2.gz FMLPWXCSWWZWFI-JOCHJYFZSA-N 1 0 436.508 3.400 50 30 IGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1ccncc1 ZINC000020219525 556999996 /nfs/dbraw/zinc/99/99/96/556999996.db2.gz WKHCZTZSBPFOGB-SFHVURJKSA-N 1 0 428.558 3.465 50 30 IGEARO COc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000020229129 557001678 /nfs/dbraw/zinc/00/16/78/557001678.db2.gz XBGJPMSMHKWGBU-HXUWFJFHSA-N 1 0 444.915 3.497 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc(O)c2)cc1F ZINC000024116832 557138029 /nfs/dbraw/zinc/13/80/29/557138029.db2.gz QGBBGRAFHAPOEZ-FQEVSTJZSA-N 1 0 428.460 3.070 50 30 IGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1cccc(Br)c1 ZINC000101100266 557255394 /nfs/dbraw/zinc/25/53/94/557255394.db2.gz LLABHFSLBXSDNV-SELCWUDQSA-N 1 0 444.329 3.218 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000102541849 557348400 /nfs/dbraw/zinc/34/84/00/557348400.db2.gz GLYIHIGMVUINKA-LFVOPCPISA-N 1 0 432.879 3.471 50 30 IGEARO Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@@H]1c1cccc(F)c1 ZINC000102929936 557413553 /nfs/dbraw/zinc/41/35/53/557413553.db2.gz WSMSJXQTGNTNHM-QOJBNDRUSA-N 1 0 436.487 3.074 50 30 IGEARO Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1ccccc1 ZINC000102929886 557413608 /nfs/dbraw/zinc/41/36/08/557413608.db2.gz FGSMXEABZWEVKM-PGVNHDJNSA-N 1 0 432.524 3.325 50 30 IGEARO C=CCN1c2ccccc2[C@@]2([NH2+][C@H](CC(C)C)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)C1=O ZINC000103000857 557415483 /nfs/dbraw/zinc/41/54/83/557415483.db2.gz AAPFVZOGMOQGDV-POHGFMBCSA-N 1 0 443.547 3.234 50 30 IGEARO COCCNC1=[NH+]c2ncccc2NC12CCN(C(=O)Cc1c(F)cccc1Cl)CC2 ZINC000096309691 557776465 /nfs/dbraw/zinc/77/64/65/557776465.db2.gz USMIKZZFVXRLJB-UHFFFAOYSA-N 1 0 445.926 3.360 50 30 IGEARO C=CCOC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000104983260 568623855 /nfs/dbraw/zinc/62/38/55/568623855.db2.gz MOXUAYSXJSMMAN-LEWJYISDSA-N 1 0 442.487 3.113 50 30 IGEARO C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([NH2+]Cc1ccc(F)cc1F)C2 ZINC000014732039 568827081 /nfs/dbraw/zinc/82/70/81/568827081.db2.gz LUWJZWGBWMXSAZ-QGZVFWFLSA-N 1 0 432.540 3.183 50 30 IGEARO C=CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]1[C@@H]1CCC[N@@H+]12 ZINC000014944801 568827866 /nfs/dbraw/zinc/82/78/66/568827866.db2.gz GJGMEQXVOWSZFX-UKDJSQQHSA-N 1 0 447.922 3.352 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccnc2)cc1Cl ZINC000020233655 569357212 /nfs/dbraw/zinc/35/72/12/569357212.db2.gz NTJJQXOVEHFXBA-LJQANCHMSA-N 1 0 429.904 3.274 50 30 IGEARO CCn1ccc(C(=O)N2CCC3(CC2)Nc2cccnc2[NH+]=C3NCc2ccccc2)n1 ZINC000096309702 569392326 /nfs/dbraw/zinc/39/23/26/569392326.db2.gz RUMIBZGGVWCBPP-UHFFFAOYSA-N 1 0 429.528 3.409 50 30 IGEARO CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1OC ZINC000008818068 569476989 /nfs/dbraw/zinc/47/69/89/569476989.db2.gz DWRKJQACMLNDAT-JBCNATCCSA-N 1 0 442.487 3.216 50 30 IGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000008921084 569486804 /nfs/dbraw/zinc/48/68/04/569486804.db2.gz RNYYGDPLPJVCPS-GHNGSUTGSA-N 1 0 429.498 3.420 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccc2F)cc1OC ZINC000009173230 569509660 /nfs/dbraw/zinc/50/96/60/569509660.db2.gz HTIBZABCJXZQMF-JBCNATCCSA-N 1 0 442.487 3.216 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccccc2OC)cc1Cl ZINC000009175093 569509713 /nfs/dbraw/zinc/50/97/13/569509713.db2.gz WKDOEXFDRNECOM-YDJIHCHBSA-N 1 0 444.915 3.341 50 30 IGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2c(C)nc3ccccn32)[C@@H]1c1cccnc1 ZINC000009271404 569517700 /nfs/dbraw/zinc/51/77/00/569517700.db2.gz DFFLUCJXDOKMOC-HFEWCJDKSA-N 1 0 447.539 3.191 50 30 IGEARO COc1cccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000009271470 569517731 /nfs/dbraw/zinc/51/77/31/569517731.db2.gz CONVWQSSKMETBQ-SFHVURJKSA-N 1 0 429.542 3.299 50 30 IGEARO COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@H]3c3cccnc3)oc21 ZINC000009275744 569518408 /nfs/dbraw/zinc/51/84/08/569518408.db2.gz OWSRAMOFTZJPGC-NHFXJNLRSA-N 1 0 435.480 3.210 50 30 IGEARO C#CCOC[C@@H](O)C[N@@H+](CCC)Cc1c(-c2ccccc2)noc1N1CCSCC1 ZINC000036249961 518298618 /nfs/dbraw/zinc/29/86/18/518298618.db2.gz UETDGXIPPHOSHK-FQEVSTJZSA-N 1 0 429.586 3.118 50 30 IGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccccn1 ZINC000012468372 520602949 /nfs/dbraw/zinc/60/29/49/520602949.db2.gz AMOVVYQUPAHBAC-OAQYLSRUSA-N 1 0 437.496 3.121 50 30 IGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1ccccn1 ZINC000013124756 520656461 /nfs/dbraw/zinc/65/64/61/520656461.db2.gz VPGBGCFUJVUOEJ-OAQYLSRUSA-N 1 0 439.512 3.019 50 30 IGEARO CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1OC ZINC000012757701 521236995 /nfs/dbraw/zinc/23/69/95/521236995.db2.gz HGUIOGBRHMPPED-OAQYLSRUSA-N 1 0 442.487 3.373 50 30 IGEARO COc1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CC[NH+](C)C)ccc1O ZINC000024193017 522919292 /nfs/dbraw/zinc/91/92/92/522919292.db2.gz LWYIZEARZQGICZ-OAQYLSRUSA-N 1 0 436.464 3.287 50 30 IGEARO COc1ccc(CC[NH2+]C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@@]45O[C@H]5[C@H]23)cc1OC ZINC000012659986 523974145 /nfs/dbraw/zinc/97/41/45/523974145.db2.gz UJHAAYVZZJWJTB-PZLANSGSSA-N 1 0 429.557 3.361 50 30 IGEARO Cc1c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccnc2)cnn1-c1ccccc1 ZINC000009240130 525553094 /nfs/dbraw/zinc/55/30/94/525553094.db2.gz RGFGCXKFEBPBQH-JOCHJYFZSA-N 1 0 445.523 3.106 50 30 IGEARO [NH2+]=C(Cc1ccc([N+](=O)[O-])cc1)NOC(=O)COc1ccc(Br)cc1Cl ZINC000009272626 556271470 /nfs/dbraw/zinc/27/14/70/556271470.db2.gz UNPNHFWPLWHUHF-UHFFFAOYSA-N 1 0 442.653 3.448 50 30 IGEARO CCCCNC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000013809709 556311512 /nfs/dbraw/zinc/31/15/12/556311512.db2.gz TZVQMYASANSSKF-OAQYLSRUSA-N 1 0 442.567 3.475 50 30 IGEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccc(OC)c2)cc1 ZINC000016734503 556632790 /nfs/dbraw/zinc/63/27/90/556632790.db2.gz UZURCGBIEIEPTD-JOCHJYFZSA-N 1 0 436.508 3.400 50 30 IGEARO CC[NH+]=C(NCc1ccc2c(c1)OCO2)S[C@H]1CC(=O)N(c2ccccc2F)C1=O ZINC000096487369 556821227 /nfs/dbraw/zinc/82/12/27/556821227.db2.gz YVODPAATUVSFHD-SFHVURJKSA-N 1 0 429.473 3.085 50 30 IGEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(Cl)cc1 ZINC000019880078 556936922 /nfs/dbraw/zinc/93/69/22/556936922.db2.gz GRTGVZNCGWUHRX-LJQANCHMSA-N 1 0 428.872 3.209 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc(O)c2)cc1F ZINC000024116827 557138118 /nfs/dbraw/zinc/13/81/18/557138118.db2.gz QGBBGRAFHAPOEZ-HXUWFJFHSA-N 1 0 428.460 3.070 50 30 IGEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc(OC)c2)cc1 ZINC000102489709 557332261 /nfs/dbraw/zinc/33/22/61/557332261.db2.gz SRSROXUFCLRZTH-MOBKVPTQSA-N 1 0 438.524 3.467 50 30 IGEARO COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC ZINC000102534899 557344855 /nfs/dbraw/zinc/34/48/55/557344855.db2.gz ZJTSYPKZIITEDS-JBCNATCCSA-N 1 0 442.487 3.216 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000102797468 557388814 /nfs/dbraw/zinc/38/88/14/557388814.db2.gz MSHWJKYIGYCOEE-HOGKFDNTSA-N 1 0 447.491 3.412 50 30 IGEARO COc1cccc([C@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000102860992 557401626 /nfs/dbraw/zinc/40/16/26/557401626.db2.gz LDQZVSPZCXEOTR-HFEWCJDKSA-N 1 0 448.523 3.025 50 30 IGEARO C=CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([NH+]1CCC(Cc3ccccc3)CC1)C2 ZINC000014755204 568826930 /nfs/dbraw/zinc/82/69/30/568826930.db2.gz MCPFZFKCWBUZGD-QHCPKHFHSA-N 1 0 448.611 3.354 50 30 IGEARO C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([NH2+]Cc1c(F)cccc1F)C2 ZINC000014740424 569310645 /nfs/dbraw/zinc/31/06/45/569310645.db2.gz HAPSKEPZYUVWTH-OAHLLOKOSA-N 1 0 432.540 3.183 50 30 IGEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000020134378 569335712 /nfs/dbraw/zinc/33/57/12/569335712.db2.gz KKCOPLYCUUVKHM-HXUWFJFHSA-N 1 0 435.436 3.481 50 30 IGEARO Cc1cc(O)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc([N+](=O)[O-])c2)cc1C ZINC000020309903 569359858 /nfs/dbraw/zinc/35/98/58/569359858.db2.gz MXWOWJDJVOXGRW-FQEVSTJZSA-N 1 0 439.468 3.057 50 30 IGEARO COc1cccc(N2CC[NH+](C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@@]6(CO6)[C@H]5C[C@H]34)CC2)c1 ZINC000059409336 569461154 /nfs/dbraw/zinc/46/11/54/569461154.db2.gz SGDNDBSJHXDOKR-KJGALXHASA-N 1 0 440.584 3.344 50 30 IGEARO CCOc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000008837056 569478135 /nfs/dbraw/zinc/47/81/35/569478135.db2.gz RULLBMNULHMIBC-GHNGSUTGSA-N 1 0 429.542 3.142 50 30 IGEARO COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000008904492 569484517 /nfs/dbraw/zinc/48/45/17/569484517.db2.gz IWDNHFKRGIXOHM-MRJHHRETSA-N 1 0 442.487 3.216 50 30 IGEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000008920181 569486480 /nfs/dbraw/zinc/48/64/80/569486480.db2.gz ZVIDQFIGXYMPNR-NHFXJNLRSA-N 1 0 435.436 3.324 50 30 IGEARO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000040108350 569488534 /nfs/dbraw/zinc/48/85/34/569488534.db2.gz VKRZKFBKWQCIAF-JOCHJYFZSA-N 1 0 436.531 3.140 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2F)cc1OC ZINC000009046344 569498394 /nfs/dbraw/zinc/49/83/94/569498394.db2.gz HTIBZABCJXZQMF-MRJHHRETSA-N 1 0 442.487 3.216 50 30 IGEARO Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc([N+](=O)[O-])c2)s1 ZINC000009274050 569518161 /nfs/dbraw/zinc/51/81/61/569518161.db2.gz MFFBUNHCPRWXBF-KRWDZBQOSA-N 1 0 444.513 3.198 50 30 IGEARO Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@@H]1c1cccc(F)c1 ZINC000009275205 569518364 /nfs/dbraw/zinc/51/83/64/569518364.db2.gz RXKPQQZBPKNJSI-HXUWFJFHSA-N 1 0 436.487 3.230 50 30 IGEARO C=CCOc1c(Br)cc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1OC ZINC000012520296 519004354 /nfs/dbraw/zinc/00/43/54/519004354.db2.gz MFODJODTALNQRT-QGZVFWFLSA-N 1 0 428.290 3.469 50 30 IGEARO CC[NH+](CC)C[C@@H](/C(C)=N/[NH+]=C(N)N)[C@@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O ZINC000039944226 520714619 /nfs/dbraw/zinc/71/46/19/520714619.db2.gz VQCXVBUXXLNEKR-FZSFCWCNSA-N 1 0 449.555 3.238 50 30 IGEARO COC(=O)C[N@+]1(C)CCc2c(c(OC)c3c(c2C(=O)/C=C/c2ccc(C)cc2)OCO3)C1 ZINC000253390545 523363013 /nfs/dbraw/zinc/36/30/13/523363013.db2.gz RXSQHEKHLDMIDP-ZMXFDXOUSA-N 1 0 438.500 3.304 50 30 IGEARO COc1ccc(/C=N/OCc2nc3c4c(C)c(C)n(CCC[NH+](C)C)c4ncn3n2)cc1 ZINC000009409865 523451891 /nfs/dbraw/zinc/45/18/91/523451891.db2.gz YXQIRFMEHDYEIJ-DHRITJCHSA-N 1 0 435.532 3.207 50 30 IGEARO COc1ccc(CC[NH2+]C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@@H]4C[C@H]23)cc1OC ZINC000012871654 523973756 /nfs/dbraw/zinc/97/37/56/523973756.db2.gz UABYFWCFZIPIIH-MOWNWVOXSA-N 1 0 429.557 3.363 50 30 IGEARO Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1ccc(OC(C)C)cc1 ZINC000013690991 526482972 /nfs/dbraw/zinc/48/29/72/526482972.db2.gz GKCLZLQTUDBWFU-OAQYLSRUSA-N 1 0 440.544 3.344 50 30 IGEARO Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1cccc(OC(C)C)c1 ZINC000013720401 556717072 /nfs/dbraw/zinc/71/70/72/556717072.db2.gz LDTUTINKTZTNSZ-NRFANRHFSA-N 1 0 440.544 3.344 50 30 IGEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(Cl)cc1 ZINC000019880075 556936808 /nfs/dbraw/zinc/93/68/08/556936808.db2.gz GRTGVZNCGWUHRX-IBGZPJMESA-N 1 0 428.872 3.209 50 30 IGEARO COc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCC[NH+](C)C)c(OC)c1 ZINC000019927892 556945827 /nfs/dbraw/zinc/94/58/27/556945827.db2.gz PVPXCXFPNOKGRN-LJQANCHMSA-N 1 0 430.526 3.295 50 30 IGEARO Cc1ccc(NC(=[NH2+])NC2=N[C@H](CC(=O)Nc3cccc(C(F)(F)F)c3)C(=O)N2)cc1 ZINC000020101150 556980301 /nfs/dbraw/zinc/98/03/01/556980301.db2.gz CAXKVSXYZNGXDS-OAHLLOKOSA-N 1 0 432.406 3.273 50 30 IGEARO COc1ccc(CCNC(=[NH2+])NC=C2C(=O)CC(c3ccccc3Cl)CC2=O)cc1 ZINC000020248404 557003467 /nfs/dbraw/zinc/00/34/67/557003467.db2.gz ZWEKDVSTBAHLTN-UHFFFAOYSA-N 1 0 425.916 3.395 50 30 IGEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc(OC)c2)cc1 ZINC000102489719 557332293 /nfs/dbraw/zinc/33/22/93/557332293.db2.gz SRSROXUFCLRZTH-HOGKFDNTSA-N 1 0 438.524 3.467 50 30 IGEARO Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@H]1c1ccc(F)cc1 ZINC000102541388 557347979 /nfs/dbraw/zinc/34/79/79/557347979.db2.gz SUDOJMCQYHKZNF-ASBZNUFUSA-N 1 0 436.487 3.074 50 30 IGEARO Cc1ccc([C@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CCC[NH+](C)C)o1 ZINC000102523306 557352914 /nfs/dbraw/zinc/35/29/14/557352914.db2.gz PGUOPVXREOPWFT-ASBZNUFUSA-N 1 0 436.512 3.226 50 30 IGEARO C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]3c3cccc(O)c3)ccc2O1 ZINC000102645929 557363905 /nfs/dbraw/zinc/36/39/05/557363905.db2.gz XMFMLDHMIUKMHT-IXBTYZTBSA-N 1 0 436.508 3.089 50 30 IGEARO COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1cccnc1 ZINC000102741162 557375839 /nfs/dbraw/zinc/37/58/39/557375839.db2.gz LRFYMRUAJBHPPZ-LFVOPCPISA-N 1 0 429.904 3.117 50 30 IGEARO COc1cccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2CC[NH+](C)C)c1OC ZINC000102740245 557380616 /nfs/dbraw/zinc/38/06/16/557380616.db2.gz MRSDZZZNIUTPFP-JBCNATCCSA-N 1 0 449.507 3.168 50 30 IGEARO Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)s1 ZINC000102858993 557399495 /nfs/dbraw/zinc/39/94/95/557399495.db2.gz FDCNCQSJGZCGHF-GROYHEBESA-N 1 0 444.513 3.042 50 30 IGEARO Cc1ccc([C@@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CC[NH+](C)C)o1 ZINC000100452230 557403726 /nfs/dbraw/zinc/40/37/26/557403726.db2.gz DVEHVEQATYNJMM-JBCNATCCSA-N 1 0 434.496 3.065 50 30 IGEARO C=C(Cl)Cn1c2cc(OC)c(OC)cc2cc(C[NH2+]Cc2c(C)nn(C)c2C)c1=O ZINC000012040973 568821237 /nfs/dbraw/zinc/82/12/37/568821237.db2.gz FFWSMAWDRFTJIR-UHFFFAOYSA-N 1 0 430.936 3.411 50 30 IGEARO C=CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([NH2+]CC1C3CC4CC(C3)CC1C4)C2 ZINC000014542191 568826341 /nfs/dbraw/zinc/82/63/41/568826341.db2.gz CIVBTBYZQFQQPA-UVFITVQJSA-N 1 0 438.616 3.061 50 30 IGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@H]1c1ccc(O)cc1 ZINC000006193501 568876702 /nfs/dbraw/zinc/87/67/02/568876702.db2.gz OKMRHADTLAHXMC-HOGKFDNTSA-N 1 0 438.524 3.473 50 30 IGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1F ZINC000009008313 569496218 /nfs/dbraw/zinc/49/62/18/569496218.db2.gz GVTSLZQIHJPCKU-GOBJLOIFSA-N 1 0 441.459 3.497 50 30 IGEARO Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1cccc(F)c1 ZINC000009042084 569497638 /nfs/dbraw/zinc/49/76/38/569497638.db2.gz JVLTXQIDXNJGDH-OAQYLSRUSA-N 1 0 436.487 3.312 50 30 IGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000009175873 569509704 /nfs/dbraw/zinc/50/97/04/569509704.db2.gz MODPOOCCSPIEAP-HOGKFDNTSA-N 1 0 438.524 3.466 50 30 IGEARO COc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000009232839 569513750 /nfs/dbraw/zinc/51/37/50/569513750.db2.gz TZUGSPJKCJRAOQ-GOSISDBHSA-N 1 0 429.542 3.299 50 30 IGEARO