smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C([O-])=C2[C@@H](c3ccc(Cl)c(Cl)c3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000011990769 526241206 /nfs/dbraw/zinc/24/12/06/526241206.db2.gz IJKODCHCMJFGAX-RKVPGOIHSA-N -1 3 447.240 4.406 40 0 IIABHM CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1cc2ccccc2cc1[O-] ZINC000034791391 555509005 /nfs/dbraw/zinc/50/90/05/555509005.db2.gz OZISEWFSDCCZSH-UHFFFAOYSA-N -1 3 448.504 4.283 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC3CCCCCC3)cc2)cc1C ZINC000035085947 555727674 /nfs/dbraw/zinc/72/76/74/555727674.db2.gz SGBKLTGAZUDPIL-UHFFFAOYSA-N -1 3 430.570 4.322 40 0 IIABHM CC(C)CCNC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000408554438 555883624 /nfs/dbraw/zinc/88/36/24/555883624.db2.gz RZIQMQRMNYCWLV-UHFFFAOYSA-N -1 3 444.475 4.047 40 0 IIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)NC3CCCCC3)cc2)cc1 ZINC000408614105 555984333 /nfs/dbraw/zinc/98/43/33/555984333.db2.gz YKPISCZIOMCLSI-QGZVFWFLSA-N -1 3 446.569 4.102 40 0 IIABHM Cc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC000408679556 556074142 /nfs/dbraw/zinc/07/41/42/556074142.db2.gz NUHXEPACJZFOOC-MRXNPFEDSA-N -1 3 428.485 4.341 40 0 IIABHM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1C(=O)N1CCCC1 ZINC000408693180 556093559 /nfs/dbraw/zinc/09/35/59/556093559.db2.gz JXMYSHMDINISGI-UHFFFAOYSA-N -1 3 429.325 4.039 40 0 IIABHM C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000408705506 556111652 /nfs/dbraw/zinc/11/16/52/556111652.db2.gz HGIKFCFSNAQURH-CQSZACIVSA-N -1 3 432.448 4.172 40 0 IIABHM Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1 ZINC000408705347 556113489 /nfs/dbraw/zinc/11/34/89/556113489.db2.gz CTOCVJLWPQMGOD-INIZCTEOSA-N -1 3 428.485 4.341 40 0 IIABHM CCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cc1 ZINC000016691749 556627367 /nfs/dbraw/zinc/62/73/67/556627367.db2.gz VKNCQOPCMCHYOL-UHFFFAOYSA-N -1 3 440.521 4.212 40 0 IIABHM CCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccncc2)cc1 ZINC000013513197 556667280 /nfs/dbraw/zinc/66/72/80/556667280.db2.gz IOKLKWPWAMGOPM-HJOGWXRNSA-N -1 3 443.503 4.312 40 0 IIABHM O=C(Nc1ccc2c(c1)OCCO2)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000044838683 556668121 /nfs/dbraw/zinc/66/81/21/556668121.db2.gz NROLZNRTQWSOGK-UHFFFAOYSA-N -1 3 444.896 4.164 40 0 IIABHM O=C(CC1CCCCC1)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CCN(C2CCCCC2)C3)C1 ZINC000019014727 556691862 /nfs/dbraw/zinc/69/18/62/556691862.db2.gz VYKBLEKZNOKEIC-LJQANCHMSA-N -1 3 426.605 4.159 40 0 IIABHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)S(=O)(=O)c2ccccc2O3)c(C)c1 ZINC000019142029 556706801 /nfs/dbraw/zinc/70/68/01/556706801.db2.gz ICRJOUTXLQOYOK-UHFFFAOYSA-N -1 3 429.519 4.351 40 0 IIABHM Cc1c2cc(C)ccc2oc1C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C(C)C)C2 ZINC000019220408 556715125 /nfs/dbraw/zinc/71/51/25/556715125.db2.gz ZXSKBAOOEAWDQF-NRFANRHFSA-N -1 3 448.567 4.267 40 0 IIABHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2F)cc1 ZINC000013804106 556743009 /nfs/dbraw/zinc/74/30/09/556743009.db2.gz ZPTSNQBCAKAQMC-VJBWXMMDSA-N -1 3 432.451 4.276 40 0 IIABHM CCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccncc2)cc1 ZINC000085994178 556744073 /nfs/dbraw/zinc/74/40/73/556744073.db2.gz IOKLKWPWAMGOPM-SGNDLWITSA-N -1 3 443.503 4.312 40 0 IIABHM COc1ccccc1-n1c(SCC(=O)OCc2ccccc2)nnc1-c1ccccc1[O-] ZINC000000915882 556746577 /nfs/dbraw/zinc/74/65/77/556746577.db2.gz IVHFHOKSXUFPFV-UHFFFAOYSA-N -1 3 447.516 4.484 40 0 IIABHM CC(C)N1CCc2c(nc([C@H]3CCCCN3C(=O)c3cc4c(s3)CCCC4)[n-]c2=O)C1 ZINC000019448359 556758076 /nfs/dbraw/zinc/75/80/76/556758076.db2.gz ZOAMMLWETAHBNF-LJQANCHMSA-N -1 3 440.613 4.256 40 0 IIABHM CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(Cl)c1[O-] ZINC000408931824 556892910 /nfs/dbraw/zinc/89/29/10/556892910.db2.gz QSURFFUMXUSZNY-YVLHZVERSA-N -1 3 446.912 4.428 40 0 IIABHM CCOc1cc(/C=C2\Sc3ccccc3NC2=O)cc(I)c1[O-] ZINC000409092453 556949271 /nfs/dbraw/zinc/94/92/71/556949271.db2.gz YKRJQGLSBIEWFF-DHDCSXOGSA-N -1 3 439.274 4.481 40 0 IIABHM COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)cc(Cl)c1[O-] ZINC000409354173 557080823 /nfs/dbraw/zinc/08/08/23/557080823.db2.gz ZMVFJZMTPXYKKU-MFOYZWKCSA-N -1 3 446.912 4.346 40 0 IIABHM COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)cc(Cl)c1[O-] ZINC000409345930 557082310 /nfs/dbraw/zinc/08/23/10/557082310.db2.gz LXEMWFGBHFJZOJ-MFOYZWKCSA-N -1 3 446.912 4.346 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3F)cc2)cc1C ZINC000409388243 557099771 /nfs/dbraw/zinc/09/97/71/557099771.db2.gz SZDUTJPFJQUSKE-UHFFFAOYSA-N -1 3 428.485 4.261 40 0 IIABHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1ccccc1C(F)(F)F ZINC000409389329 557100755 /nfs/dbraw/zinc/10/07/55/557100755.db2.gz HEZHVJNRIWNABU-SECBINFHSA-N -1 3 441.258 4.318 40 0 IIABHM CCn1c(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)nnc1-c1ccccc1[O-] ZINC000409412264 557104086 /nfs/dbraw/zinc/10/40/86/557104086.db2.gz CUUXPUFKFXDZLO-UHFFFAOYSA-N -1 3 438.431 4.300 40 0 IIABHM CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1cc(Br)ccc1[O-] ZINC000409412570 557109156 /nfs/dbraw/zinc/10/91/56/557109156.db2.gz XTMKQDXTGQXHCE-UHFFFAOYSA-N -1 3 447.358 4.472 40 0 IIABHM CC(C)C[C@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C([O-])=C2ON1c1ccccc1 ZINC000102737064 557131642 /nfs/dbraw/zinc/13/16/42/557131642.db2.gz OJTVJQQTIRDHQH-IPMKNSEASA-N -1 3 429.314 4.174 40 0 IIABHM O=C(CSc1nc(-c2cc(Br)ccc2[O-])n[nH]1)Nc1ccccc1Cl ZINC000038177786 557205292 /nfs/dbraw/zinc/20/52/92/557205292.db2.gz FXODIMFZUYEIIR-UHFFFAOYSA-N -1 3 439.722 4.324 40 0 IIABHM O=C(CSc1n[nH]c(-c2cc(Br)ccc2[O-])n1)Nc1ccccc1Cl ZINC000038177786 557205294 /nfs/dbraw/zinc/20/52/94/557205294.db2.gz FXODIMFZUYEIIR-UHFFFAOYSA-N -1 3 439.722 4.324 40 0 IIABHM CCC(=O)N1CCc2nc3cc([C@@H]4CCCCN4Cc4ccc(C)c(C)c4)[n-]n3c(=O)c2C1 ZINC000100243240 557255692 /nfs/dbraw/zinc/25/56/92/557255692.db2.gz FOPLRSJUEQXIOJ-QHCPKHFHSA-N -1 3 447.583 4.074 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)c3ccc(F)cc3)c(C)c2)cc1 ZINC000222764657 557384178 /nfs/dbraw/zinc/38/41/78/557384178.db2.gz AQFWJAPJIKCTHH-UHFFFAOYSA-N -1 3 442.512 4.285 40 0 IIABHM CSc1ccccc1[N-]C(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000223406412 557467942 /nfs/dbraw/zinc/46/79/42/557467942.db2.gz GQCPFYHOVVZFMF-UHFFFAOYSA-N -1 3 430.551 4.383 40 0 IIABHM CC[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1)c1ccc(C)c(C)c1 ZINC000224001796 557542133 /nfs/dbraw/zinc/54/21/33/557542133.db2.gz LDJJXTPSLGPMCX-SFHVURJKSA-N -1 3 444.582 4.145 40 0 IIABHM Cc1cccc(OCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)c1 ZINC000224408087 557602955 /nfs/dbraw/zinc/60/29/55/557602955.db2.gz GJWYUNFVXGXWIZ-UHFFFAOYSA-N -1 3 444.940 4.258 40 0 IIABHM COc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000224532173 557617338 /nfs/dbraw/zinc/61/73/38/557617338.db2.gz NBUGXEPJAJWBGE-UHFFFAOYSA-N -1 3 446.912 4.167 40 0 IIABHM Cc1ccccc1CS(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1 ZINC000224546182 557620121 /nfs/dbraw/zinc/62/01/21/557620121.db2.gz YMBFEGPYDVWGFY-UHFFFAOYSA-N -1 3 444.578 4.355 40 0 IIABHM Cc1cccc(CS(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)c1 ZINC000224547051 557620521 /nfs/dbraw/zinc/62/05/21/557620521.db2.gz ZWEOZMPKNYQBJZ-UHFFFAOYSA-N -1 3 430.551 4.046 40 0 IIABHM [O-]c1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1Cc1ccccn1 ZINC000224615442 557631466 /nfs/dbraw/zinc/63/14/66/557631466.db2.gz KTCPDRJZDWUPQI-XZOQPEGZSA-N -1 3 427.533 4.209 40 0 IIABHM C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1NC(C(F)(F)F)=C[C@@]1([O-])C(F)(F)F ZINC000059192186 557818038 /nfs/dbraw/zinc/81/80/38/557818038.db2.gz RVUONAGUZWYMTJ-PWCHPLFNSA-N -1 3 439.139 4.162 40 0 IIABHM COc1cc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(C)=O)cc(Br)c1[O-] ZINC000257276974 568700778 /nfs/dbraw/zinc/70/07/78/568700778.db2.gz NVXWLQQQCPYRCP-KOWPUWFMSA-N -1 3 438.362 4.182 40 0 IIABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3c(F)cccc3F)cc2)c1 ZINC000033380639 569243712 /nfs/dbraw/zinc/24/37/12/569243712.db2.gz NLXXKZWLMFVYLL-UHFFFAOYSA-N -1 3 432.448 4.092 40 0 IIABHM CCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cc1 ZINC000033666123 569245637 /nfs/dbraw/zinc/24/56/37/569245637.db2.gz OYOLLXPWTMOLAH-UHFFFAOYSA-N -1 3 440.521 4.212 40 0 IIABHM O=C([O-])c1ccccc1[C@H]1[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)C2ON1c1ccccc1 ZINC000009345828 569295743 /nfs/dbraw/zinc/29/57/43/569295743.db2.gz ZDTSWYWUPWCDBR-QHAWAJNXSA-N -1 3 448.862 4.089 40 0 IIABHM C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc([N-]C(=O)c2ccc(F)cc2F)s1 ZINC000035314048 525530919 /nfs/dbraw/zinc/53/09/19/525530919.db2.gz XGVHDPCDRVPZQZ-LLVKDONJSA-N -1 3 446.504 4.139 40 0 IIABHM Cc1ccc(C([O-])=C2[C@H](c3ccc(Cl)c(Cl)c3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000011990770 526240681 /nfs/dbraw/zinc/24/06/81/526240681.db2.gz IJKODCHCMJFGAX-VKJFTORMSA-N -1 3 447.240 4.406 40 0 IIABHM COC(=O)c1nc2nnc([N-]C(=O)Nc3ccc(Cl)cc3)n2c(-c2ccccc2)c1C ZINC000001592551 555704948 /nfs/dbraw/zinc/70/49/48/555704948.db2.gz IFNIZIXHXFKHCQ-UHFFFAOYSA-N -1 3 436.859 4.184 40 0 IIABHM Cc1ccc([C@H](CC(=O)C(C)(C)CN2CCCCC2)SCCS(=O)(=O)[O-])cc1 ZINC000001637076 555707339 /nfs/dbraw/zinc/70/73/39/555707339.db2.gz LGXLALWCPHRYSF-IBGZPJMESA-N -1 3 427.632 4.128 40 0 IIABHM Cc1ccc(C)c(NC(=O)CSc2nnc(-c3cc(Br)ccc3[O-])n2C)c1 ZINC000408543207 555790717 /nfs/dbraw/zinc/79/07/17/555790717.db2.gz NOQILHYLCRWPOQ-UHFFFAOYSA-N -1 3 447.358 4.298 40 0 IIABHM Cc1ccc([C@@H](CC(=O)C(C)(C)CN2CCCCC2)SCCS(=O)(=O)[O-])cc1 ZINC000003589286 555940183 /nfs/dbraw/zinc/94/01/83/555940183.db2.gz LGXLALWCPHRYSF-LJQANCHMSA-N -1 3 427.632 4.128 40 0 IIABHM CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1 ZINC000408598317 555956843 /nfs/dbraw/zinc/95/68/43/555956843.db2.gz ZAPNPBFNEDBISO-ZDUSSCGKSA-N -1 3 445.368 4.334 40 0 IIABHM C[C@H](Oc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)C(=O)NC1CCCCC1 ZINC000408593357 555959316 /nfs/dbraw/zinc/95/93/16/555959316.db2.gz QAONKJNGUDPEGS-HNNXBMFYSA-N -1 3 436.961 4.357 40 0 IIABHM CCc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc(OC)c2)cc1 ZINC000002199947 556059096 /nfs/dbraw/zinc/05/90/96/556059096.db2.gz ZOJIDIFKCOZITF-VXNXHJTFSA-N -1 3 428.488 4.309 40 0 IIABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)N1CCCCCC1 ZINC000408676282 556071123 /nfs/dbraw/zinc/07/11/23/556071123.db2.gz MXGSXAWSBXMNRF-UHFFFAOYSA-N -1 3 436.961 4.231 40 0 IIABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC3CCCCCC3)c(C)c2)cc1 ZINC000408676428 556071473 /nfs/dbraw/zinc/07/14/73/556071473.db2.gz NXDSQRCPHZFZCO-UHFFFAOYSA-N -1 3 446.569 4.022 40 0 IIABHM Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC000408679554 556074083 /nfs/dbraw/zinc/07/40/83/556074083.db2.gz NUHXEPACJZFOOC-INIZCTEOSA-N -1 3 428.485 4.341 40 0 IIABHM CC1(C)[C@H]2CC[C@]1(C)C(=O)N(c1ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc1)C2=O ZINC000408721749 556149512 /nfs/dbraw/zinc/14/95/12/556149512.db2.gz LOIPXKHGDYPCTH-KSFYIVLOSA-N -1 3 446.956 4.457 40 0 IIABHM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cc1OC ZINC000009886177 556314999 /nfs/dbraw/zinc/31/49/99/556314999.db2.gz MIQVKRPTUGPIGC-UHFFFAOYSA-N -1 3 426.494 4.065 40 0 IIABHM Cc1ccc(O[C@@H](C)C(=O)N2CCC(c3nc(-c4ccccn4)cc(=O)[n-]3)CC2)c(C)c1 ZINC000013226939 556499733 /nfs/dbraw/zinc/49/97/33/556499733.db2.gz FKDYTCTXNBFIED-SFHVURJKSA-N -1 3 432.524 4.035 40 0 IIABHM O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc(Br)cc1-c1nnn[n-]1 ZINC000034046932 556570831 /nfs/dbraw/zinc/57/08/31/556570831.db2.gz JXPULDIATMTIIN-UHFFFAOYSA-N -1 3 427.184 4.292 40 0 in-vivo IIABHM O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc(Br)cc1-c1nn[n-]n1 ZINC000034046932 556570832 /nfs/dbraw/zinc/57/08/32/556570832.db2.gz JXPULDIATMTIIN-UHFFFAOYSA-N -1 3 427.184 4.292 40 0 in-vivo IIABHM COc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C([O-])=C2ON1c1ccccc1 ZINC000101033029 556652600 /nfs/dbraw/zinc/65/26/00/556652600.db2.gz HKVSAYZUUFBPRN-FSSWDIPSSA-N -1 3 434.879 4.400 40 0 IIABHM COc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)c1 ZINC000044843268 556668955 /nfs/dbraw/zinc/66/89/55/556668955.db2.gz QBXWOQHRYLAMJC-KRWDZBQOSA-N -1 3 440.521 4.210 40 0 IIABHM COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)cc1 ZINC000044904369 556679206 /nfs/dbraw/zinc/67/92/06/556679206.db2.gz LANZOWMBIMAEJI-UHFFFAOYSA-N -1 3 430.913 4.331 40 0 IIABHM Cc1ccc(C2(C(=O)N3CCC[C@H]3c3nc4c(c(=O)[n-]3)CCN(C(C)C)C4)CCCC2)cc1 ZINC000019208486 556708296 /nfs/dbraw/zinc/70/82/96/556708296.db2.gz PPKUEFAROCEDNC-QHCPKHFHSA-N -1 3 448.611 4.433 40 0 IIABHM O=c1[nH]c(CSc2nnc(-c3ccccc3[O-])n2Cc2ccccc2)nc2ccccc21 ZINC000000888799 556739346 /nfs/dbraw/zinc/73/93/46/556739346.db2.gz OENBCXKBSLPOKA-UHFFFAOYSA-N -1 3 441.516 4.228 40 0 IIABHM Cn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1cc2ccccc2cc1[O-] ZINC000000896691 556741045 /nfs/dbraw/zinc/74/10/45/556741045.db2.gz HLNNOTMTFQCMCH-UHFFFAOYSA-N -1 3 430.533 4.412 40 0 IIABHM CC(C)N1CCc2c(nc([C@@H]3CCCN3C(=O)C3(c4ccccc4)CCCC3)[n-]c2=O)C1 ZINC000019448389 556757874 /nfs/dbraw/zinc/75/78/74/556757874.db2.gz JZUUDJGJNSRILY-QFIPXVFZSA-N -1 3 434.584 4.124 40 0 IIABHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2F)cc1 ZINC000101195627 556761787 /nfs/dbraw/zinc/76/17/87/556761787.db2.gz ZPTSNQBCAKAQMC-VABKMULXSA-N -1 3 432.451 4.276 40 0 IIABHM Cc1[nH]c2ccc(C(=O)N3CCC[C@@H]3c3nc4c(c(=O)[n-]3)CCN(C(C)C)C4)cc2c1C ZINC000019576805 556815173 /nfs/dbraw/zinc/81/51/73/556815173.db2.gz YHTBWGKKGTVZDA-JOCHJYFZSA-N -1 3 433.556 4.024 40 0 IIABHM C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1NC2=C(CCCC2)[C@@]1([O-])C(F)(F)F ZINC000408956262 556900219 /nfs/dbraw/zinc/90/02/19/556900219.db2.gz QEZRGWVDFOZNBG-YRXQGLPXSA-N -1 3 425.234 4.400 40 0 IIABHM C[C@H]1CN(c2nc3c(c(=O)[n-]2)CCN(Cc2ccc(-c4ccccc4)cc2)C3)C[C@H](C)O1 ZINC000072347282 556918348 /nfs/dbraw/zinc/91/83/48/556918348.db2.gz VQAXYGNMBLDPEQ-OALUTQOASA-N -1 3 430.552 4.021 40 0 IIABHM COc1ccc(CC(=O)N2NC3=C(C[C@@H](C(C)(C)C)CC3)[C@]2([O-])C(F)(F)F)cc1OC ZINC000409093639 556949508 /nfs/dbraw/zinc/94/95/08/556949508.db2.gz BKZUMVBVUZCBCS-GXZWQRSESA-N -1 3 442.478 4.158 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(F)c3)cc2)cc1C ZINC000020020025 556964155 /nfs/dbraw/zinc/96/41/55/556964155.db2.gz MGIDYALFZSRBIF-UHFFFAOYSA-N -1 3 446.475 4.400 40 0 IIABHM COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(Cl)c1[O-] ZINC000409157983 556977464 /nfs/dbraw/zinc/97/74/64/556977464.db2.gz WLWJLYQHQVFZDI-SXGWCWSVSA-N -1 3 432.885 4.038 40 0 IIABHM COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)cc(Cl)c1[O-] ZINC000409180402 556989141 /nfs/dbraw/zinc/98/91/41/556989141.db2.gz XBSFUEYZPOKALW-MFOYZWKCSA-N -1 3 446.912 4.346 40 0 IIABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)Nc1ccc(F)cc1 ZINC000409388789 557100043 /nfs/dbraw/zinc/10/00/43/557100043.db2.gz FGYNBWUXPAQXEE-UHFFFAOYSA-N -1 3 434.876 4.297 40 0 IIABHM CCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1cc(Br)ccc1[O-] ZINC000409412556 557108863 /nfs/dbraw/zinc/10/88/63/557108863.db2.gz XLQZKCNRMXEYMY-UHFFFAOYSA-N -1 3 447.358 4.472 40 0 IIABHM CCOC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)c1 ZINC000023913447 557125987 /nfs/dbraw/zinc/12/59/87/557125987.db2.gz RMVOVESBVMYLCU-UHFFFAOYSA-N -1 3 442.468 4.056 40 0 IIABHM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(Br)c2)c(Cl)c1 ZINC000216257693 557141341 /nfs/dbraw/zinc/14/13/41/557141341.db2.gz GWEWRTCAUDIGEJ-UHFFFAOYSA-N -1 3 448.722 4.089 40 0 IIABHM CCC(=O)N1c2ccccc2[C@H]2C(=O)[N-]C(SC)=NN2[C@@H]1c1cccc2ccccc21 ZINC000588229073 557155348 /nfs/dbraw/zinc/15/53/48/557155348.db2.gz BVKAFJMLYBLWCY-JTHBVZDNSA-N -1 3 430.533 4.402 40 0 IIABHM Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4ccc5c(c4)OCO5)ccc3[O-])oc2c1 ZINC000010003594 557200360 /nfs/dbraw/zinc/20/03/60/557200360.db2.gz FZDUOBULXPEWOI-UHFFFAOYSA-N -1 3 447.472 4.364 40 0 IIABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2C(=O)c2ccccc2)c(Cl)c1 ZINC000219285801 557235730 /nfs/dbraw/zinc/23/57/30/557235730.db2.gz AYOIKHBDAZNLLL-UHFFFAOYSA-N -1 3 428.897 4.195 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)c3ccc(F)cc3)cc2)cc1C ZINC000222681930 557373547 /nfs/dbraw/zinc/37/35/47/557373547.db2.gz QPCVFEUHYKOIME-UHFFFAOYSA-N -1 3 442.512 4.285 40 0 IIABHM Cc1ccc(N(C)C(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cc1C ZINC000222685527 557374109 /nfs/dbraw/zinc/37/41/09/557374109.db2.gz TUOGXAJKHICAFK-UHFFFAOYSA-N -1 3 438.549 4.454 40 0 IIABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)cc1 ZINC000013608563 557376797 /nfs/dbraw/zinc/37/67/97/557376797.db2.gz ACCPFJMFJSROAC-UHFFFAOYSA-N -1 3 430.913 4.331 40 0 IIABHM COc1ccc(Br)cc1S(=O)(=O)[N-]CCSc1ccc(Cl)cc1 ZINC000223425580 557471082 /nfs/dbraw/zinc/47/10/82/557471082.db2.gz NRBVQTOGQJKYHU-UHFFFAOYSA-N -1 3 436.780 4.182 40 0 IIABHM O=S(=O)(Cc1ccc(Cl)c(Cl)c1)[N-]Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000223647381 557496786 /nfs/dbraw/zinc/49/67/86/557496786.db2.gz DVKBWQKWTNDRCA-UHFFFAOYSA-N -1 3 432.716 4.316 40 0 IIABHM Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3ccccc3C)cc2)c(C)c1 ZINC000224546468 557620186 /nfs/dbraw/zinc/62/01/86/557620186.db2.gz KORZQUBHOZUUGH-UHFFFAOYSA-N -1 3 444.578 4.355 40 0 IIABHM Cc1cccc(CS(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)c1 ZINC000224547125 557620507 /nfs/dbraw/zinc/62/05/07/557620507.db2.gz YKPRIXDCCXNCKM-UHFFFAOYSA-N -1 3 444.578 4.355 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(F)cc3)cc2)c(C)c1 ZINC000224572740 557625485 /nfs/dbraw/zinc/62/54/85/557625485.db2.gz DGNQMCRHBHVVKD-UHFFFAOYSA-N -1 3 428.485 4.261 40 0 IIABHM CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000224576387 557626380 /nfs/dbraw/zinc/62/63/80/557626380.db2.gz DLPNKXJGAKTDHQ-OAQYLSRUSA-N -1 3 428.485 4.423 40 0 IIABHM CC[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2cccc(C)c2)s1)c1ccc(C)c(C)c1 ZINC000224588650 557627874 /nfs/dbraw/zinc/62/78/74/557627874.db2.gz GICLMBASUZKSEX-GOSISDBHSA-N -1 3 444.582 4.145 40 0 IIABHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CC(C)(C)Oc2cc(C)ccc21 ZINC000225283218 557708805 /nfs/dbraw/zinc/70/88/05/557708805.db2.gz IOJPEWROUOWHFA-OAHLLOKOSA-N -1 3 440.359 4.347 40 0 IIABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c(Cl)c1 ZINC000225368878 557715038 /nfs/dbraw/zinc/71/50/38/557715038.db2.gz ZUEJXCQPCAMLIE-UHFFFAOYSA-N -1 3 443.337 4.136 40 0 IIABHM COc1cccc(OC)c1CN1CCC(c2cncc([N-]c3nc(C)cc(C)n3)n2)CC1 ZINC000257305048 568713536 /nfs/dbraw/zinc/71/35/36/568713536.db2.gz SOFBPXPRCCUNHO-UHFFFAOYSA-N -1 3 434.544 4.024 40 0 IIABHM O=C(c1cc(=O)[n-]c(-c2ccccc2)n1)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1 ZINC000257307404 568714405 /nfs/dbraw/zinc/71/44/05/568714405.db2.gz SYMWBFFZOVQJOE-HXUWFJFHSA-N -1 3 440.503 4.448 40 0 IIABHM CCOc1cc([C@@H]2NN=C(c3ccccc3)S2)cc(I)c1[O-] ZINC000015228145 569225378 /nfs/dbraw/zinc/22/53/78/569225378.db2.gz OACPHLQVQPSEEP-MRXNPFEDSA-N -1 3 426.279 4.092 40 0 IIABHM CC(=O)c1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)c1 ZINC000033508169 569244207 /nfs/dbraw/zinc/24/42/07/569244207.db2.gz CWKZRHMPCOGOGZ-UHFFFAOYSA-N -1 3 438.505 4.016 40 0 IIABHM COc1ccc(C)cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000034895625 569248145 /nfs/dbraw/zinc/24/81/45/569248145.db2.gz MMEKOYFBMUILMY-UHFFFAOYSA-N -1 3 440.521 4.130 40 0 IIABHM Cc1cccc(NC(=O)CSc2nc(-c3cc(Br)ccc3[O-])n[nH]2)c1C ZINC000038181018 569248737 /nfs/dbraw/zinc/24/87/37/569248737.db2.gz ULUGDOIDBUUSLC-UHFFFAOYSA-N -1 3 433.331 4.287 40 0 IIABHM Cc1cccc(NC(=O)CSc2n[nH]c(-c3cc(Br)ccc3[O-])n2)c1C ZINC000038181018 569248738 /nfs/dbraw/zinc/24/87/38/569248738.db2.gz ULUGDOIDBUUSLC-UHFFFAOYSA-N -1 3 433.331 4.287 40 0 IIABHM CCc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2F)c1 ZINC000107615432 569250590 /nfs/dbraw/zinc/25/05/90/569250590.db2.gz DNGNHMWCVYUDCH-UHFFFAOYSA-N -1 3 428.485 4.450 40 0 IIABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3F)cc2)c1 ZINC000107705006 569250962 /nfs/dbraw/zinc/25/09/62/569250962.db2.gz MQHZHEPMDVOSSG-UHFFFAOYSA-N -1 3 428.485 4.261 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)cc3)c(C)c2)cc1 ZINC000107817153 569251387 /nfs/dbraw/zinc/25/13/87/569251387.db2.gz MQCVPJTVNHSNJI-UHFFFAOYSA-N -1 3 428.485 4.261 40 0 IIABHM CC(C)C[C@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C([O-])=C2ON1c1ccccc1 ZINC000018086105 569284771 /nfs/dbraw/zinc/28/47/71/569284771.db2.gz OJTVJQQTIRDHQH-OTWHNJEPSA-N -1 3 429.314 4.174 40 0 IIABHM COc1ccc(N2OC3=C([O-])N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@H]2c2ccccc2)cc1 ZINC000009358083 569295813 /nfs/dbraw/zinc/29/58/13/569295813.db2.gz BFWHVTSVWUKBED-YPAWHYETSA-N -1 3 434.879 4.400 40 0 IIABHM CCc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(OC)cc3)cc2)cc1 ZINC000012492457 524005252 /nfs/dbraw/zinc/00/52/52/524005252.db2.gz MJWNWHUQHINDEX-UHFFFAOYSA-N -1 3 440.521 4.076 40 0 IIABHM Cc1ccc(NC(=O)CSc2nnc(-c3cc(Br)ccc3[O-])n2C)cc1C ZINC000408542201 555790449 /nfs/dbraw/zinc/79/04/49/555790449.db2.gz ICJODUXELFBCIZ-UHFFFAOYSA-N -1 3 447.358 4.298 40 0 IIABHM COc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)cc1I ZINC000408547327 555802050 /nfs/dbraw/zinc/80/20/50/555802050.db2.gz YWRLUCFCVCTIID-UHFFFAOYSA-N -1 3 431.295 4.026 40 0 IIABHM CCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccccc3F)c2)cc1 ZINC000408553006 555881455 /nfs/dbraw/zinc/88/14/55/555881455.db2.gz UDRBOZIPZRGXMP-UHFFFAOYSA-N -1 3 428.485 4.450 40 0 IIABHM COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1NC(=O)c1ccccc1C ZINC000408558840 555898416 /nfs/dbraw/zinc/89/84/16/555898416.db2.gz KIYGWYMXMKCFQL-UHFFFAOYSA-N -1 3 432.448 4.335 40 0 IIABHM COc1cccc(OC)c1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000408575754 555926464 /nfs/dbraw/zinc/92/64/64/555926464.db2.gz QJFQGOKJGUKBLX-UHFFFAOYSA-N -1 3 446.912 4.410 40 0 IIABHM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(O[C@H](C)C(=O)NCC(C)C)cc1 ZINC000408594734 555960551 /nfs/dbraw/zinc/96/05/51/555960551.db2.gz OWWSUEJMVASSDP-GOSISDBHSA-N -1 3 432.586 4.459 40 0 IIABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(O[C@H](C)C(=O)NC2CCCCC2)cc1 ZINC000408595253 555961675 /nfs/dbraw/zinc/96/16/75/555961675.db2.gz UNSGATZZEVXUGV-GOSISDBHSA-N -1 3 430.570 4.320 40 0 IIABHM CCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1C ZINC000408674616 556065784 /nfs/dbraw/zinc/06/57/84/556065784.db2.gz AQLLPSXSEVKJJR-UHFFFAOYSA-N -1 3 440.521 4.212 40 0 IIABHM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)N2CCCCC2)c1 ZINC000408693071 556093154 /nfs/dbraw/zinc/09/31/54/556093154.db2.gz FMPODUGYKALPQJ-UHFFFAOYSA-N -1 3 430.570 4.247 40 0 IIABHM COc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1C(C)C ZINC000408695939 556098183 /nfs/dbraw/zinc/09/81/83/556098183.db2.gz VVINSIYAYWVAKO-UHFFFAOYSA-N -1 3 431.295 4.224 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(F)cc3)cc2)cc1 ZINC000408705800 556111972 /nfs/dbraw/zinc/11/19/72/556111972.db2.gz NRCGFQGNBWTEMD-INIZCTEOSA-N -1 3 428.485 4.341 40 0 IIABHM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(OCc4ccccc4)cc3)ccc21 ZINC000015243068 556513260 /nfs/dbraw/zinc/51/32/60/556513260.db2.gz XKEYKFNIPRFJMY-UHFFFAOYSA-N -1 3 436.533 4.366 40 0 IIABHM CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)ccc1OC ZINC000013680526 556556384 /nfs/dbraw/zinc/55/63/84/556556384.db2.gz SWRBPYSSTDEXPE-UHFFFAOYSA-N -1 3 426.494 4.038 40 0 IIABHM O=C1[C@@H]2C(=C([O-])N1c1cccc(C(F)(F)F)c1)ON(c1ccccc1)[C@H]2c1ccccn1 ZINC000138429817 556702694 /nfs/dbraw/zinc/70/26/94/556702694.db2.gz CABXKYXOJAOEDY-UFYCRDLUSA-N -1 3 439.393 4.152 40 0 IIABHM Cc1cccc(OC(C)(C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C)n2)c1 ZINC000019235138 556719664 /nfs/dbraw/zinc/71/96/64/556719664.db2.gz SHZBGENJACYNQU-QFIPXVFZSA-N -1 3 444.535 4.126 40 0 IIABHM Cc1ccccc1CC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCCC1)C2 ZINC000019237085 556721962 /nfs/dbraw/zinc/72/19/62/556721962.db2.gz PTJOSJDZVBFFQI-DEOSSOPVSA-N -1 3 448.611 4.478 40 0 IIABHM Cc1ccccc1CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)c1cc(=O)[n-]c(C(C)C)n1 ZINC000019237098 556722112 /nfs/dbraw/zinc/72/21/12/556722112.db2.gz ACVHWQMNYMQEMK-QFIPXVFZSA-N -1 3 428.536 4.326 40 0 IIABHM O=C(c1cccc(F)c1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCCC1)C2 ZINC000019293558 556733260 /nfs/dbraw/zinc/73/32/60/556733260.db2.gz SAYQDOLDFAOJKE-JOCHJYFZSA-N -1 3 438.547 4.380 40 0 IIABHM O=C(C1CCCCC1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(Cc1cccs1)CC2 ZINC000019343573 556741408 /nfs/dbraw/zinc/74/14/08/556741408.db2.gz IHSHDMQBWRFRTN-OAQYLSRUSA-N -1 3 440.613 4.024 40 0 IIABHM CC(C)N1CCc2c(nc([C@H]3CCCCN3C(=O)c3csc4c3CCCC4)[n-]c2=O)C1 ZINC000019448375 556757985 /nfs/dbraw/zinc/75/79/85/556757985.db2.gz QLGGDAOKNFAGQM-HXUWFJFHSA-N -1 3 440.613 4.256 40 0 IIABHM C[C@@H]1CN(c2nc3c(c(=O)[n-]2)CCN(Cc2ccc(-c4ccccc4)cc2)C3)C[C@H](C)O1 ZINC000019497596 556770349 /nfs/dbraw/zinc/77/03/49/556770349.db2.gz VQAXYGNMBLDPEQ-KDURUIRLSA-N -1 3 430.552 4.021 40 0 IIABHM C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1NC2=C(CCCC2)[C@]1([O-])C(F)(F)F ZINC000408956261 556900271 /nfs/dbraw/zinc/90/02/71/556900271.db2.gz QEZRGWVDFOZNBG-QEKSWQHZSA-N -1 3 425.234 4.400 40 0 IIABHM CS(=O)(=O)[N-]c1ccc(C(=O)NCCSCc2ccc(Cl)cc2)c(Cl)c1 ZINC000020044468 556972708 /nfs/dbraw/zinc/97/27/08/556972708.db2.gz KQIXCVFMNOGMTB-UHFFFAOYSA-N -1 3 433.382 4.028 40 0 IIABHM COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)cc(Cl)c1[O-] ZINC000409351717 557079329 /nfs/dbraw/zinc/07/93/29/557079329.db2.gz YNULAAGHGRDPDD-MFOYZWKCSA-N -1 3 446.912 4.346 40 0 IIABHM CCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1 ZINC000409376287 557087914 /nfs/dbraw/zinc/08/79/14/557087914.db2.gz WRULQINTEFCHOX-UHFFFAOYSA-N -1 3 440.521 4.212 40 0 IIABHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000409393978 557098138 /nfs/dbraw/zinc/09/81/38/557098138.db2.gz ZSHVHPBGJLRCNX-VIFPVBQESA-N -1 3 441.258 4.318 40 0 IIABHM CC(=O)N1CCc2nc3cc([C@H]4CCCCN4Cc4ccc(C(C)C)cc4)[n-]n3c(=O)c2C1 ZINC000100242920 557254469 /nfs/dbraw/zinc/25/44/69/557254469.db2.gz GRCGGCFAZSHVOM-XMMPIXPASA-N -1 3 447.583 4.190 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3c4ccccc4C[C@H]3C)cc2)cc1 ZINC000222672629 557371910 /nfs/dbraw/zinc/37/19/10/557371910.db2.gz YJZSYYZZGPHOSF-GOSISDBHSA-N -1 3 436.533 4.152 40 0 IIABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)c3ccc(F)cc3)cc2)c1 ZINC000222695849 557375100 /nfs/dbraw/zinc/37/51/00/557375100.db2.gz RIBSOHQYBCLZRN-UHFFFAOYSA-N -1 3 442.512 4.285 40 0 IIABHM COc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000013997967 557402556 /nfs/dbraw/zinc/40/25/56/557402556.db2.gz JITLDZDGVZVDTP-UHFFFAOYSA-N -1 3 440.521 4.130 40 0 IIABHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCCNc1ccnc2cc(Cl)ccc21 ZINC000223008331 557414683 /nfs/dbraw/zinc/41/46/83/557414683.db2.gz KGWKKTYRHPEKNS-UHFFFAOYSA-N -1 3 440.352 4.331 40 0 IIABHM O=C(CSc1n[n-]c(COc2ccccc2F)n1)Nc1cccc(C(F)(F)F)c1 ZINC000014152633 557423561 /nfs/dbraw/zinc/42/35/61/557423561.db2.gz OUUYYWNZIGRIME-UHFFFAOYSA-N -1 3 426.395 4.272 40 0 IIABHM CSc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1NC(C)=O ZINC000223146407 557438995 /nfs/dbraw/zinc/43/89/95/557438995.db2.gz VNESOMYPFFKPRU-UHFFFAOYSA-N -1 3 433.324 4.069 40 0 IIABHM CC1(C)CCc2cc(S(=O)(=O)[N-]c3ccc(I)cc3)ccc2O1 ZINC000223659357 557498546 /nfs/dbraw/zinc/49/85/46/557498546.db2.gz REMKZVKZXZVZOP-UHFFFAOYSA-N -1 3 443.306 4.196 40 0 IIABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N(C)Cc3ccc(C)cc3)ccc2C)cc1 ZINC000224062454 557553632 /nfs/dbraw/zinc/55/36/32/557553632.db2.gz KCMZNJOJERCCDI-UHFFFAOYSA-N -1 3 438.549 4.385 40 0 IIABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N(C)Cc3cccc(F)c3)ccc2C)cc1 ZINC000224102857 557561568 /nfs/dbraw/zinc/56/15/68/557561568.db2.gz ITQCTJNLYRDUIF-UHFFFAOYSA-N -1 3 442.512 4.216 40 0 IIABHM COc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)c1 ZINC000224573832 557625806 /nfs/dbraw/zinc/62/58/06/557625806.db2.gz CBEFVGAFOKHDNC-UHFFFAOYSA-N -1 3 440.521 4.130 40 0 IIABHM O=C(C1CC1)N1CCc2cc(S(=O)(=O)[N-]c3ccc(OC4CCCC4)cc3)ccc21 ZINC000225806544 557779256 /nfs/dbraw/zinc/77/92/56/557779256.db2.gz ZAPXULXBKVMYEJ-UHFFFAOYSA-N -1 3 426.538 4.108 40 0 IIABHM CC(C)Oc1ccc(NC(=O)C(C)(C)[N-]S(=O)(=O)Cc2cc(F)ccc2Cl)cc1 ZINC000225923512 557792967 /nfs/dbraw/zinc/79/29/67/557792967.db2.gz ACBKNNMICVLXLJ-UHFFFAOYSA-N -1 3 442.940 4.103 40 0 IIABHM CCc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000033714445 569246058 /nfs/dbraw/zinc/24/60/58/569246058.db2.gz CEWPLFHLGMANEI-UHFFFAOYSA-N -1 3 440.521 4.076 40 0 IIABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)c1 ZINC000035253553 569248526 /nfs/dbraw/zinc/24/85/26/569248526.db2.gz HGSLKQDVVZBBBL-IBGZPJMESA-N -1 3 438.549 4.360 40 0 IIABHM CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000408603484 193972919 /nfs/dbraw/zinc/97/29/19/193972919.db2.gz KJZHHGVPJPYRID-AWEZNQCLSA-N -1 3 444.475 4.046 40 0 IIABHM Cc1ccc(Cc2c(C)nc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)[n-]c2=O)cc1 ZINC000013611818 132351980 /nfs/dbraw/zinc/35/19/80/132351980.db2.gz INAMOFXGFDTHQA-UHFFFAOYSA-N -1 3 442.485 4.323 40 0 IIABHM CCOc1ccc(NC(=O)CSc2nc(-c3cc(Br)ccc3[O-])n[nH]2)cc1 ZINC000408543551 555791173 /nfs/dbraw/zinc/79/11/73/555791173.db2.gz PXFKFOXGJJWVIZ-UHFFFAOYSA-N -1 3 449.330 4.069 40 0 IIABHM CCOc1ccc(NC(=O)CSc2n[nH]c(-c3cc(Br)ccc3[O-])n2)cc1 ZINC000408543551 555791174 /nfs/dbraw/zinc/79/11/74/555791174.db2.gz PXFKFOXGJJWVIZ-UHFFFAOYSA-N -1 3 449.330 4.069 40 0 IIABHM COc1cccc(OC)c1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000408562585 555905972 /nfs/dbraw/zinc/90/59/72/555905972.db2.gz CJOOXZMKWDOTKT-UHFFFAOYSA-N -1 3 440.521 4.374 40 0 IIABHM CCC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408593142 555954826 /nfs/dbraw/zinc/95/48/26/555954826.db2.gz LPNQGFGMOUKMRJ-RDTXWAMCSA-N -1 3 443.396 4.188 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC3CCCCC3)c(C)c2)cc1C ZINC000408675103 556066454 /nfs/dbraw/zinc/06/64/54/556066454.db2.gz RUFDIJCHQWITLG-UHFFFAOYSA-N -1 3 430.570 4.240 40 0 IIABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1 ZINC000408675787 556068200 /nfs/dbraw/zinc/06/82/00/556068200.db2.gz KMBFCAWVLSVWLF-UHFFFAOYSA-N -1 3 430.913 4.467 40 0 IIABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3cccc(Cl)c3)cc2)cc1 ZINC000015439090 556528242 /nfs/dbraw/zinc/52/82/42/556528242.db2.gz PGVRCLPEMFSVOG-UHFFFAOYSA-N -1 3 446.912 4.167 40 0 IIABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(Cl)ccc3OC)cc2)cc1 ZINC000015439213 556528280 /nfs/dbraw/zinc/52/82/80/556528280.db2.gz DBZJDMQVRBONRN-UHFFFAOYSA-N -1 3 446.912 4.410 40 0 IIABHM CSc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000016248820 556594532 /nfs/dbraw/zinc/59/45/32/556594532.db2.gz UMLYEVLZFAPRTL-UHFFFAOYSA-N -1 3 428.535 4.227 40 0 IIABHM Cc1cc(C)c(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)cc2)c(C)c1 ZINC000100901019 556599934 /nfs/dbraw/zinc/59/99/34/556599934.db2.gz QDYNHOKMRBDKAV-JRFVFWCSSA-N -1 3 428.488 4.369 40 0 IIABHM COc1cccc([C@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000100934100 556612057 /nfs/dbraw/zinc/61/20/57/556612057.db2.gz FSPQQKSLNXBBCG-FKBYEOEOSA-N -1 3 434.879 4.400 40 0 IIABHM CC(C)C[C@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C([O-])=C2ON1c1ccccc1 ZINC000101075925 556653747 /nfs/dbraw/zinc/65/37/47/556653747.db2.gz OJTVJQQTIRDHQH-FHWLQOOXSA-N -1 3 429.314 4.174 40 0 IIABHM COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(SC)cc2)c1 ZINC000036091223 556715917 /nfs/dbraw/zinc/71/59/17/556715917.db2.gz GWDKFFDTNYDZTC-ZLNRFVROSA-N -1 3 446.528 4.468 40 0 IIABHM Cn1c(SCC(=O)N2CCc3ccccc3C2)nnc1-c1cc2ccccc2cc1[O-] ZINC000000896685 556740939 /nfs/dbraw/zinc/74/09/39/556740939.db2.gz OFVIRTMKLUZFOF-UHFFFAOYSA-N -1 3 430.533 4.018 40 0 IIABHM C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2cc3ccccc3cc2[O-])n1C ZINC000000896704 556741090 /nfs/dbraw/zinc/74/10/90/556741090.db2.gz RNNRPJFYJCJPDC-OAHLLOKOSA-N -1 3 430.533 4.411 40 0 IIABHM COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(C)cc2C)c1 ZINC000013806741 556743183 /nfs/dbraw/zinc/74/31/83/556743183.db2.gz VFKCYELEJVTKDB-SGNDLWITSA-N -1 3 428.488 4.363 40 0 IIABHM O=C(Cc1ccccc1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCCC1)C2 ZINC000019370219 556747464 /nfs/dbraw/zinc/74/74/64/556747464.db2.gz RACWTOWUZKAZOW-QHCPKHFHSA-N -1 3 434.584 4.169 40 0 IIABHM Cc1cc(C)cc(O[C@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C)n2)c1 ZINC000019569758 556809882 /nfs/dbraw/zinc/80/98/82/556809882.db2.gz CXXRLRPZOXHBBU-HXOBKFHXSA-N -1 3 444.535 4.044 40 0 IIABHM C[C@H]1CN(c2nc3c(c(=O)[n-]2)CCN(Cc2cccc(Oc4ccccc4)c2)C3)C[C@H](C)O1 ZINC000072347276 556918340 /nfs/dbraw/zinc/91/83/40/556918340.db2.gz JMTHLIRYLROPIE-OALUTQOASA-N -1 3 446.551 4.146 40 0 IIABHM COc1ccc(CC(=O)N2NC3=C(C[C@@H](C(C)(C)C)CC3)[C@@]2([O-])C(F)(F)F)cc1OC ZINC000409093645 556949530 /nfs/dbraw/zinc/94/95/30/556949530.db2.gz BKZUMVBVUZCBCS-VFCRVFHLSA-N -1 3 442.478 4.158 40 0 IIABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000020020105 556964550 /nfs/dbraw/zinc/96/45/50/556964550.db2.gz XFRPFKXICVFLRD-UHFFFAOYSA-N -1 3 432.448 4.092 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC3CCCCCC3)c(C)c2)cc1 ZINC000409376404 557087798 /nfs/dbraw/zinc/08/77/98/557087798.db2.gz XYAKXCVMEKUVMV-UHFFFAOYSA-N -1 3 430.570 4.322 40 0 IIABHM CCn1c(SCC(=O)Nc2ccc(Br)c(C)c2)nnc1-c1ccccc1[O-] ZINC000409412437 557108831 /nfs/dbraw/zinc/10/88/31/557108831.db2.gz KHLRQBLGRUNNGC-UHFFFAOYSA-N -1 3 447.358 4.472 40 0 IIABHM CCn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1-c1ccccc1[O-] ZINC000409412689 557109122 /nfs/dbraw/zinc/10/91/22/557109122.db2.gz YFLVLKYSXNMAIT-UHFFFAOYSA-N -1 3 433.331 4.164 40 0 IIABHM CC(C)C[C@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C([O-])=C2ON1c1ccccc1 ZINC000102737061 557131631 /nfs/dbraw/zinc/13/16/31/557131631.db2.gz OJTVJQQTIRDHQH-GBESFXJTSA-N -1 3 429.314 4.174 40 0 IIABHM O=c1c2c(-c3ccco3)[n-]n(-c3ccccc3)c-2c(O)n1-c1ccc(Cl)c(Cl)c1 ZINC000101460705 557292784 /nfs/dbraw/zinc/29/27/84/557292784.db2.gz QSSJXNLYJCALBQ-MJGOQNOKSA-N -1 3 426.259 4.369 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3c4ccccc4C[C@@H]3C)cc2)cc1 ZINC000222672576 557371944 /nfs/dbraw/zinc/37/19/44/557371944.db2.gz YJZSYYZZGPHOSF-SFHVURJKSA-N -1 3 436.533 4.152 40 0 IIABHM Cc1cccc(CNC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)c1 ZINC000222679937 557373171 /nfs/dbraw/zinc/37/31/71/557373171.db2.gz YFEGCFVGPGQNOS-UHFFFAOYSA-N -1 3 438.549 4.108 40 0 IIABHM Cc1cccc(CNC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)c1 ZINC000222687000 557374417 /nfs/dbraw/zinc/37/44/17/557374417.db2.gz NBYXKFIIYMOOAR-UHFFFAOYSA-N -1 3 438.549 4.108 40 0 IIABHM Cc1ccc(N(C)C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1C ZINC000222717158 557378854 /nfs/dbraw/zinc/37/88/54/557378854.db2.gz RRCQJAZBWHSPQT-UHFFFAOYSA-N -1 3 442.512 4.285 40 0 IIABHM COc1ccc([C@@H]2CC(=O)c3c[n-]c4nn(-c5nc6ccccc6s5)c(=O)c-4c3C2)cc1 ZINC000013639611 557384970 /nfs/dbraw/zinc/38/49/70/557384970.db2.gz XBJCMVNTAABSTO-AWEZNQCLSA-N -1 3 442.500 4.245 40 0 IIABHM COc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC000014399541 557436746 /nfs/dbraw/zinc/43/67/46/557436746.db2.gz OFWKTJVCRAPWPC-HNNXBMFYSA-N -1 3 444.484 4.041 40 0 IIABHM Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1C ZINC000014400230 557445863 /nfs/dbraw/zinc/44/58/63/557445863.db2.gz CQSQQIZJOAKJNF-UHFFFAOYSA-N -1 3 428.485 4.261 40 0 IIABHM CC[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1)c1ccc(C)cc1C ZINC000224395029 557601390 /nfs/dbraw/zinc/60/13/90/557601390.db2.gz ZZNKGLPOGAWLLT-GOSISDBHSA-N -1 3 444.582 4.145 40 0 IIABHM Cc1ccc(C)c(NS(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3ccccc3)cc2)c1 ZINC000224545132 557619835 /nfs/dbraw/zinc/61/98/35/557619835.db2.gz SMFOZJSLXSIYJE-UHFFFAOYSA-N -1 3 430.551 4.046 40 0 IIABHM COc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)c1 ZINC000224559195 557623423 /nfs/dbraw/zinc/62/34/23/557623423.db2.gz QUITYTRCCMTYDC-OAHLLOKOSA-N -1 3 444.484 4.041 40 0 IIABHM CC[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2cccc(C)c2)s1)c1ccc(C)c(C)c1 ZINC000224588700 557627860 /nfs/dbraw/zinc/62/78/60/557627860.db2.gz GICLMBASUZKSEX-SFHVURJKSA-N -1 3 444.582 4.145 40 0 IIABHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)cc1Br ZINC000028940169 557738443 /nfs/dbraw/zinc/73/84/43/557738443.db2.gz AVLQZNXMMOZWLF-UHFFFAOYSA-N -1 3 426.210 4.157 40 0 IIABHM CC(C)n1c(=O)sc2cc(S(=O)(=O)[N-]c3ccccc3Br)ccc21 ZINC000225703199 557766733 /nfs/dbraw/zinc/76/67/33/557766733.db2.gz JIPALTHPICTLKB-UHFFFAOYSA-N -1 3 427.345 4.207 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(F)c3)c(C)c2)cc1 ZINC000108194276 569252682 /nfs/dbraw/zinc/25/26/82/569252682.db2.gz JMQQYVUUAKAYOZ-UHFFFAOYSA-N -1 3 428.485 4.261 40 0 IIABHM CCc1ccccc1[N-]S(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC2CCCCC2)cc1 ZINC000408589491 555940374 /nfs/dbraw/zinc/94/03/74/555940374.db2.gz IALCCGZVTCOERT-KRWDZBQOSA-N -1 3 430.570 4.266 40 0 IIABHM CCc1ccccc1[N-]S(=O)(=O)c1ccc(O[C@H](C)C(=O)NC2CCCCC2)cc1 ZINC000408589493 555940421 /nfs/dbraw/zinc/94/04/21/555940421.db2.gz IALCCGZVTCOERT-QGZVFWFLSA-N -1 3 430.570 4.266 40 0 IIABHM Cc1cccc([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)NC3CCCCC3)cc2)c1C ZINC000408595830 555962856 /nfs/dbraw/zinc/96/28/56/555962856.db2.gz VBMIIUXJCPEEBT-GOSISDBHSA-N -1 3 430.570 4.320 40 0 IIABHM CSc1cccc([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC3CCCCC3)cc2)c1 ZINC000408610130 555980414 /nfs/dbraw/zinc/98/04/14/555980414.db2.gz NUKBVDWFCQVMHN-INIZCTEOSA-N -1 3 448.610 4.426 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(F)cc3)cc2)cc1 ZINC000408705801 556111956 /nfs/dbraw/zinc/11/19/56/556111956.db2.gz NRCGFQGNBWTEMD-MRXNPFEDSA-N -1 3 428.485 4.341 40 0 IIABHM COc1ccc(NC(=N)Nc2nc(CSc3ccc(Cl)cc3)cc(=O)[n-]2)c(OC)c1 ZINC000009935196 556318587 /nfs/dbraw/zinc/31/85/87/556318587.db2.gz YVCCTDCTISEZJO-UHFFFAOYSA-N -1 3 445.932 4.192 40 0 IIABHM CS(=O)(=O)[N-]c1ccc(C(=O)NCCSCc2cccc(Cl)c2)cc1Cl ZINC000030847503 556507846 /nfs/dbraw/zinc/50/78/46/556507846.db2.gz GJVDURCUUJMKAT-UHFFFAOYSA-N -1 3 433.382 4.028 40 0 IIABHM CCOC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)cc1 ZINC000015499416 556531345 /nfs/dbraw/zinc/53/13/45/556531345.db2.gz PYWRFMILFGVCIW-UHFFFAOYSA-N -1 3 442.468 4.056 40 0 IIABHM CSCC[C@H](NC(=O)c1oc2ccc(C)cc2c1C)c1cc(=O)[n-]c(-c2cccnc2)n1 ZINC000019220444 556715162 /nfs/dbraw/zinc/71/51/62/556715162.db2.gz DSYBMGQJINIPPA-SFHVURJKSA-N -1 3 448.548 4.419 40 0 IIABHM Cn1cc(CCC(=O)N2CCC(c3nc(-c4ccsc4)cc(=O)[n-]3)CC2)c2ccccc21 ZINC000019290409 556730549 /nfs/dbraw/zinc/73/05/49/556730549.db2.gz XIXQYVUJFVHMOX-UHFFFAOYSA-N -1 3 446.576 4.329 40 0 IIABHM O=C(c1ccccc1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1cccs1)C2 ZINC000019368815 556746926 /nfs/dbraw/zinc/74/69/26/556746926.db2.gz AQJFTKVRKMABSI-OAQYLSRUSA-N -1 3 434.565 4.169 40 0 IIABHM COc1ccc(Cl)cc1C(=O)N1CCC[C@@H](c2nc(-c3ccsc3)cc(=O)[n-]2)C1 ZINC000019559014 556800999 /nfs/dbraw/zinc/80/09/99/556800999.db2.gz KNMFMQMEADEWER-CYBMUJFWSA-N -1 3 429.929 4.180 40 0 IIABHM COc1ccc(Cl)cc1C(=O)N1CCC(c2nc(-c3ccsc3)cc(=O)[n-]2)CC1 ZINC000019558988 556801008 /nfs/dbraw/zinc/80/10/08/556801008.db2.gz NMXHVMLRHOWNJN-UHFFFAOYSA-N -1 3 429.929 4.180 40 0 IIABHM CSCC[C@@H](NC(=O)c1cccc2c(C)c(C)[nH]c21)c1cc(=O)[n-]c(-c2cccnc2)n1 ZINC000019576924 556815248 /nfs/dbraw/zinc/81/52/48/556815248.db2.gz WLHMVRLWNWAVRJ-LJQANCHMSA-N -1 3 447.564 4.154 40 0 IIABHM CCOC(=O)C1=C(C)NC(SCc2cccc(C(=O)[O-])c2)=N[C@@H]1c1ccc(OC)cc1 ZINC000408866806 556873609 /nfs/dbraw/zinc/87/36/09/556873609.db2.gz JEGKUSKQXOTWEM-HXUWFJFHSA-N -1 3 440.521 4.164 40 0 IIABHM COc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)cc1OC ZINC000019932195 556948945 /nfs/dbraw/zinc/94/89/45/556948945.db2.gz KYTFLONEIPXIQF-UHFFFAOYSA-N -1 3 446.912 4.410 40 0 IIABHM COc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000409378592 557094055 /nfs/dbraw/zinc/09/40/55/557094055.db2.gz QMWNZTVFALQNQO-UHFFFAOYSA-N -1 3 440.521 4.130 40 0 IIABHM O=C(Cc1ccsc1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCCC1)C2 ZINC000096319721 557199518 /nfs/dbraw/zinc/19/95/18/557199518.db2.gz RPGBCZRZMBQLPM-OAQYLSRUSA-N -1 3 440.613 4.231 40 0 IIABHM CS(=O)(=O)c1ncc(Cl)c(C(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2)n1 ZINC000026599976 557245521 /nfs/dbraw/zinc/24/55/21/557245521.db2.gz HJZKVPQEHNITRB-UHFFFAOYSA-N -1 3 438.292 4.232 40 0 IIABHM COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@@H]3c2cccs2)c1 ZINC000100642050 557267160 /nfs/dbraw/zinc/26/71/60/557267160.db2.gz ZAYSVDYPHSILKN-ZCNNSNEGSA-N -1 3 440.908 4.461 40 0 IIABHM O=C([O-])c1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)C2ON1c1ccccc1 ZINC000102746227 557307070 /nfs/dbraw/zinc/30/70/70/557307070.db2.gz KUSNJMJTTHZZMZ-HKBOAZHASA-N -1 3 448.862 4.089 40 0 IIABHM CCc1ccccc1NC(=O)C(=O)C(=C([O-])c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000102933697 557310101 /nfs/dbraw/zinc/31/01/01/557310101.db2.gz KHSCGJATQXQZQI-QHCPKHFHSA-N -1 3 431.488 4.441 40 0 IIABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)Nc1ccc2sncc2c1 ZINC000222676712 557372523 /nfs/dbraw/zinc/37/25/23/557372523.db2.gz RTXHLALJROOLSF-UHFFFAOYSA-N -1 3 439.518 4.115 40 0 IIABHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(F)cc3F)ccc2N1C(=O)c1ccccc1 ZINC000223267589 557453395 /nfs/dbraw/zinc/45/33/95/557453395.db2.gz OELLGWKPJXATGS-AWEZNQCLSA-N -1 3 428.460 4.357 40 0 IIABHM Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)ccc3[O-])C2=O)c1 ZINC000015049258 557457636 /nfs/dbraw/zinc/45/76/36/557457636.db2.gz COVLKWRBRCJRSV-SXGWCWSVSA-N -1 3 447.310 4.138 40 0 IIABHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000223700995 557503892 /nfs/dbraw/zinc/50/38/92/557503892.db2.gz RKXGTMOFERZFCN-CQSZACIVSA-N -1 3 426.332 4.038 40 0 IIABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3cccc(C(C)=O)c3)ccc2C)cc1 ZINC000224061077 557553270 /nfs/dbraw/zinc/55/32/70/557553270.db2.gz VHPCBNZTMWVEMY-UHFFFAOYSA-N -1 3 438.505 4.259 40 0 IIABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N(C)Cc3cccc(C)c3)ccc2C)cc1 ZINC000224102713 557561271 /nfs/dbraw/zinc/56/12/71/557561271.db2.gz GIFNONPBJPRCIF-UHFFFAOYSA-N -1 3 438.549 4.385 40 0 IIABHM COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)cc1 ZINC000224522528 557616166 /nfs/dbraw/zinc/61/61/66/557616166.db2.gz TYJRLMXQHRUKTH-UHFFFAOYSA-N -1 3 446.912 4.167 40 0 IIABHM Cc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000224521978 557616261 /nfs/dbraw/zinc/61/62/61/557616261.db2.gz SVWVWBMQJSGSFP-UHFFFAOYSA-N -1 3 430.913 4.467 40 0 IIABHM O=C(COc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000224522384 557616284 /nfs/dbraw/zinc/61/62/84/557616284.db2.gz POQSZRBHSUQEIA-UHFFFAOYSA-N -1 3 434.876 4.297 40 0 IIABHM O=C(CCCOc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000224544720 557619682 /nfs/dbraw/zinc/61/96/82/557619682.db2.gz UFZRFLVVLCBJTL-UHFFFAOYSA-N -1 3 428.485 4.424 40 0 IIABHM Cc1ccc(C)c(NS(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3ccc(F)cc3)cc2)c1 ZINC000224549640 557620986 /nfs/dbraw/zinc/62/09/86/557620986.db2.gz YZQFQFYYUIYIPP-UHFFFAOYSA-N -1 3 448.541 4.185 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccccc3Cl)cc2)cc1 ZINC000224550686 557621352 /nfs/dbraw/zinc/62/13/52/557621352.db2.gz SUQONCORHPRMTG-UHFFFAOYSA-N -1 3 430.913 4.467 40 0 IIABHM Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)cc1 ZINC000224553135 557621859 /nfs/dbraw/zinc/62/18/59/557621859.db2.gz KXXZYFMTLUMGRR-INIZCTEOSA-N -1 3 428.485 4.341 40 0 IIABHM COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000224561931 557623923 /nfs/dbraw/zinc/62/39/23/557623923.db2.gz JYPHEYOLVDZXQH-HNNXBMFYSA-N -1 3 444.484 4.041 40 0 IIABHM [O-]c1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1Cc1ccccn1 ZINC000224615498 557631486 /nfs/dbraw/zinc/63/14/86/557631486.db2.gz KTCPDRJZDWUPQI-DHIUTWEWSA-N -1 3 427.533 4.209 40 0 IIABHM CC1(C)Oc2ccccc2[C@H]2O[C@H]3CCCN(Cc4ccccc4OCC(=O)[O-])[C@H]3C[C@@H]21 ZINC000257335264 568726635 /nfs/dbraw/zinc/72/66/35/568726635.db2.gz YJJPKURRNBXDFJ-WXAIXHMISA-N -1 3 437.536 4.432 40 0 IIABHM CCn1cc(-c2c3c(nc4ncn5nc(-c6ccccc6[O-])nc5c42)CCCC3)c(C)n1 ZINC000002731299 568788911 /nfs/dbraw/zinc/78/89/11/568788911.db2.gz XEQJRXRCPBRGIS-UHFFFAOYSA-N -1 3 425.496 4.116 40 0 IIABHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2)cc1Br ZINC000224954944 569182437 /nfs/dbraw/zinc/18/24/37/569182437.db2.gz KSFMLDZQPLGHPU-UHFFFAOYSA-N -1 3 425.348 4.249 40 0 IIABHM CC(C)(C)c1ccc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccc(F)cc2)cc1 ZINC000013618039 569217422 /nfs/dbraw/zinc/21/74/22/569217422.db2.gz APDVGRBZNXOVEU-CSODHUTKSA-N -1 3 438.421 4.227 40 0 IIABHM COc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)cc1 ZINC000033600211 569244847 /nfs/dbraw/zinc/24/48/47/569244847.db2.gz TWXASNPDGPIIBA-UHFFFAOYSA-N -1 3 440.521 4.130 40 0 IIABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)cc1 ZINC000107912492 569251611 /nfs/dbraw/zinc/25/16/11/569251611.db2.gz OMCXJWGEVXYWTL-UHFFFAOYSA-N -1 3 440.521 4.130 40 0 IIABHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2F)cc1 ZINC000009307831 569295223 /nfs/dbraw/zinc/29/52/23/569295223.db2.gz ZPTSNQBCAKAQMC-ZRBLBEILSA-N -1 3 432.451 4.276 40 0 IIABHM CCc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)c(OC)c2)cc1 ZINC000009428376 569296374 /nfs/dbraw/zinc/29/63/74/569296374.db2.gz UNADECRQZGYGGY-VXNXHJTFSA-N -1 3 444.487 4.014 40 0 IIABHM O=c1cc(-c2ccc(Cl)cc2)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[n-]1 ZINC000013611769 132351926 /nfs/dbraw/zinc/35/19/26/132351926.db2.gz XSVZNLFYKFGUMF-UHFFFAOYSA-N -1 3 434.849 4.436 40 0 IIABHM COC(=O)c1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)c1 ZINC000020488216 522237421 /nfs/dbraw/zinc/23/74/21/522237421.db2.gz MFUBXIACBJJQJW-UHFFFAOYSA-N -1 3 444.896 4.180 40 0 IIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccccc3)c2)cc1 ZINC000408555775 555892692 /nfs/dbraw/zinc/89/26/92/555892692.db2.gz GEZXVGKBEPQWMD-UHFFFAOYSA-N -1 3 426.494 4.147 40 0 IIABHM CCc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(OC)cc3)cc2)cc1 ZINC000035153584 555913846 /nfs/dbraw/zinc/91/38/46/555913846.db2.gz YICUTVFFNGPLGH-UHFFFAOYSA-N -1 3 440.521 4.076 40 0 IIABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)NC2CCCCCCC2)cc1 ZINC000408584674 555934860 /nfs/dbraw/zinc/93/48/60/555934860.db2.gz SWHFJRGTNYBQCA-UHFFFAOYSA-N -1 3 430.570 4.404 40 0 IIABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl)N1CCCCCC1 ZINC000408593195 555954886 /nfs/dbraw/zinc/95/48/86/555954886.db2.gz PMPYIXWCVBQSIB-UHFFFAOYSA-N -1 3 440.924 4.061 40 0 IIABHM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(O[C@H](C)C(=O)NCC(C)C)cc1 ZINC000408597568 555965062 /nfs/dbraw/zinc/96/50/62/555965062.db2.gz VFRYWVNDMCOVIT-QGZVFWFLSA-N -1 3 432.586 4.152 40 0 IIABHM CSc1cccc([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)NC3CCCCC3)cc2)c1 ZINC000408610132 555980426 /nfs/dbraw/zinc/98/04/26/555980426.db2.gz NUKBVDWFCQVMHN-MRXNPFEDSA-N -1 3 448.610 4.426 40 0 IIABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000408674597 556065668 /nfs/dbraw/zinc/06/56/68/556065668.db2.gz ALSJZWPHBJYOMU-UHFFFAOYSA-N -1 3 430.913 4.467 40 0 IIABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)Nc1ccccc1F ZINC000408675280 556068957 /nfs/dbraw/zinc/06/89/57/556068957.db2.gz HCLVMFXKDZADDZ-UHFFFAOYSA-N -1 3 432.448 4.092 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)cc3F)c(C)c2)cc1 ZINC000035352487 556081052 /nfs/dbraw/zinc/08/10/52/556081052.db2.gz DSCFOMMINCNQFB-UHFFFAOYSA-N -1 3 446.475 4.400 40 0 IIABHM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)N2CCCCCC2)c1 ZINC000408693411 556098739 /nfs/dbraw/zinc/09/87/39/556098739.db2.gz SKWFVEUYQUYCSH-UHFFFAOYSA-N -1 3 430.570 4.383 40 0 IIABHM COc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000100799114 556591243 /nfs/dbraw/zinc/59/12/43/556591243.db2.gz IUBITZYLXRRGMJ-FSSWDIPSSA-N -1 3 434.879 4.400 40 0 IIABHM CC(=O)Nc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)cc1 ZINC000038756217 556618079 /nfs/dbraw/zinc/61/80/79/556618079.db2.gz ZHFQKKOYAAAJSD-UHFFFAOYSA-N -1 3 443.912 4.352 40 0 IIABHM CCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000016693526 556627945 /nfs/dbraw/zinc/62/79/45/556627945.db2.gz YAAYKONVSBCNHO-UHFFFAOYSA-N -1 3 440.521 4.212 40 0 IIABHM CCc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)c(OC)c2)cc1 ZINC000100984733 556634095 /nfs/dbraw/zinc/63/40/95/556634095.db2.gz UNADECRQZGYGGY-HJOGWXRNSA-N -1 3 444.487 4.014 40 0 IIABHM Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000044901368 556677949 /nfs/dbraw/zinc/67/79/49/556677949.db2.gz IUQZBHABTCWLIB-INIZCTEOSA-N -1 3 428.485 4.341 40 0 IIABHM COc1ccc(C)cc1CC(=O)N[C@H](Cc1cc(=O)[n-]c(C)n1)c1ccc(Cl)cc1 ZINC000019133098 556704995 /nfs/dbraw/zinc/70/49/95/556704995.db2.gz UVHAGQLQHAPXHD-HXUWFJFHSA-N -1 3 425.916 4.104 40 0 IIABHM Cc1ccc(C(=O)N2CCC[C@@H]2c2nc3c(c(=O)[n-]2)CCN(CC2CCCCC2)C3)cc1 ZINC000019135279 556705771 /nfs/dbraw/zinc/70/57/71/556705771.db2.gz PDOUARSCKROCAJ-HSZRJFAPSA-N -1 3 434.584 4.406 40 0 IIABHM Cc1cccc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)CN(Cc2cccs2)CC3)c1 ZINC000019234425 556718528 /nfs/dbraw/zinc/71/85/28/556718528.db2.gz SZLZEYSEEMKUDA-QFIPXVFZSA-N -1 3 448.592 4.066 40 0 IIABHM CCn1c(SCC(=O)NCCc2ccccc2)nnc1-c1cc2ccccc2cc1[O-] ZINC000000896772 556741078 /nfs/dbraw/zinc/74/10/78/556741078.db2.gz RKLWOZWPRWEOIA-UHFFFAOYSA-N -1 3 432.549 4.275 40 0 IIABHM CCn1cc(CC(=O)N[C@H](Cc2cc(=O)[n-]c(C)n2)c2ccc(Cl)cc2)c2ccccc21 ZINC000019524790 556782098 /nfs/dbraw/zinc/78/20/98/556782098.db2.gz RYSVXSWQKPGPEE-JOCHJYFZSA-N -1 3 448.954 4.349 40 0 IIABHM CCCN1C(=O)/C(=C\c2cc(I)c([O-])c(OC)c2)c2ccccc21 ZINC000409113030 556958138 /nfs/dbraw/zinc/95/81/38/556958138.db2.gz NEVPROHXUDSCEN-ZROIWOOFSA-N -1 3 435.261 4.303 40 0 IIABHM CCCn1ncc(CN2CCC(C[C@@H]3CC(c4ccccc4C)=NO3)(C(=O)[O-])CC2)c1C ZINC000072389725 556960004 /nfs/dbraw/zinc/96/00/04/556960004.db2.gz VGBBNZXIFKXXAD-NRFANRHFSA-N -1 3 438.572 4.160 40 0 IIABHM C[C@@H](NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000020019889 556964161 /nfs/dbraw/zinc/96/41/61/556964161.db2.gz VENNTANBEYVJKZ-MRXNPFEDSA-N -1 3 444.940 4.397 40 0 IIABHM O=C(Nc1ccc2c(c1)OCO2)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000020050211 556974571 /nfs/dbraw/zinc/97/45/71/556974571.db2.gz BVRBPWZSUCNKNX-UHFFFAOYSA-N -1 3 430.869 4.122 40 0 IIABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(Br)c(Cl)c2)c(Cl)c1 ZINC000020105625 556982149 /nfs/dbraw/zinc/98/21/49/556982149.db2.gz ZSINXNPWYFIVNL-UHFFFAOYSA-N -1 3 438.130 4.380 40 0 IIABHM O=C(c1cccc([O-])c1)N1CC2(CCOCC2)c2cc(-c3cnn(CC4CC4)c3)ccc21 ZINC000585105895 557039233 /nfs/dbraw/zinc/03/92/33/557039233.db2.gz WVCMBAOQEUGDGA-UHFFFAOYSA-N -1 3 429.520 4.374 40 0 IIABHM COc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4Cl)C([O-])=C3ON2c2ccccc2)cc1 ZINC000100726605 557455133 /nfs/dbraw/zinc/45/51/33/557455133.db2.gz KHWAVBYANPTJJF-BHIFYINESA-N -1 3 434.879 4.400 40 0 IIABHM COc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000136132215 557459505 /nfs/dbraw/zinc/45/95/05/557459505.db2.gz IUBITZYLXRRGMJ-FDFHNCONSA-N -1 3 434.879 4.400 40 0 IIABHM COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000137880479 557459855 /nfs/dbraw/zinc/45/98/55/557459855.db2.gz OJWSVBCPLATMAB-FDFHNCONSA-N -1 3 434.879 4.400 40 0 IIABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N(C)Cc3ccc(F)cc3)ccc2C)cc1 ZINC000224102909 557561548 /nfs/dbraw/zinc/56/15/48/557561548.db2.gz KEBBDHMMQFQGLX-UHFFFAOYSA-N -1 3 442.512 4.216 40 0 IIABHM Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])n1-c1cccnc1 ZINC000224597741 557629357 /nfs/dbraw/zinc/62/93/57/557629357.db2.gz BWTYXIZXCDNLKJ-GOTSBHOMSA-N -1 3 427.533 4.458 40 0 IIABHM CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCN(Cc4ccccc4OCC(=O)[O-])C[C@H]3C[C@H]21 ZINC000257222626 568675324 /nfs/dbraw/zinc/67/53/24/568675324.db2.gz DUBOWVSNVBIZRS-HWZPKBPFSA-N -1 3 437.536 4.289 40 0 IIABHM Cc1cc(CN2CCC([C@@]3(C)CN(Cc4ccccc4)C(=O)O3)CC2)cc(C(=O)[O-])c1O ZINC000257225329 568676600 /nfs/dbraw/zinc/67/66/00/568676600.db2.gz FFSZVUWAAIPZCR-RUZDIDTESA-N -1 3 438.524 4.022 40 0 IIABHM Cc1cc(C)nc([N-]c2cncc(C3CCN(C(=O)CCOc4ccccc4C)CC3)n2)n1 ZINC000257279513 568701867 /nfs/dbraw/zinc/70/18/67/568701867.db2.gz OGYUJRWCNCHOAL-UHFFFAOYSA-N -1 3 446.555 4.111 40 0 IIABHM CCOc1ccccc1NC(=O)c1sc([N-]C(=O)c2ccco2)c(C(=O)OC)c1C ZINC000000871996 569180468 /nfs/dbraw/zinc/18/04/68/569180468.db2.gz RYOVAAHHDFYFHF-UHFFFAOYSA-N -1 3 428.466 4.339 40 0 IIABHM COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000015892368 569225696 /nfs/dbraw/zinc/22/56/96/569225696.db2.gz IHUKAHBNNDOFMS-UHFFFAOYSA-N -1 3 446.912 4.410 40 0 IIABHM COc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)cc2)cc1 ZINC000108932848 569253143 /nfs/dbraw/zinc/25/31/43/569253143.db2.gz AKFAEVMNBLSDEI-UHFFFAOYSA-N -1 3 440.521 4.130 40 0 IIABHM COc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)cc1 ZINC000020495654 524066722 /nfs/dbraw/zinc/06/67/22/524066722.db2.gz RZDSYYFSTDWODN-UHFFFAOYSA-N -1 3 430.913 4.079 40 0 IIABHM CCc1ccc(NC(=O)CSc2nnc(-c3cc(Br)ccc3[O-])n2C)cc1 ZINC000408542404 555790521 /nfs/dbraw/zinc/79/05/21/555790521.db2.gz JDWDWNXHPIZONH-UHFFFAOYSA-N -1 3 447.358 4.243 40 0 IIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccccc3C)c2)cc1 ZINC000408559818 555899292 /nfs/dbraw/zinc/89/92/92/555899292.db2.gz MXIGUERAADPQAV-UHFFFAOYSA-N -1 3 440.521 4.455 40 0 IIABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1NC(=O)c1ccccc1 ZINC000408559567 555899328 /nfs/dbraw/zinc/89/93/28/555899328.db2.gz MMZXCXJONFVBMO-UHFFFAOYSA-N -1 3 426.494 4.147 40 0 IIABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1NC(=O)c1ccccc1F ZINC000408560492 555901431 /nfs/dbraw/zinc/90/14/31/555901431.db2.gz PHETVTVMYWUAMM-UHFFFAOYSA-N -1 3 432.448 4.417 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC3CCCCC3)c(Cl)c2)cc1 ZINC000408582298 555933932 /nfs/dbraw/zinc/93/39/32/555933932.db2.gz CDAFPYXOWJZXFO-UHFFFAOYSA-N -1 3 436.961 4.277 40 0 IIABHM CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1 ZINC000408586310 555938867 /nfs/dbraw/zinc/93/88/67/555938867.db2.gz BCTQPTMFDUJMHD-GFCCVEGCSA-N -1 3 431.341 4.086 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC3CCCCC3)cc2)c(C)c1 ZINC000408593911 555960122 /nfs/dbraw/zinc/96/01/22/555960122.db2.gz QOYOSKANSGWZLM-SFHVURJKSA-N -1 3 430.570 4.320 40 0 IIABHM Cc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2cccc4ccccc42)CC(=O)N3)cc1 ZINC000040400385 556643287 /nfs/dbraw/zinc/64/32/87/556643287.db2.gz OEDPAOBSAINYEU-GOSISDBHSA-N -1 3 439.475 4.040 40 0 IIABHM Cc1ccc(C(=O)N2CCC[C@H]2c2nc3c(c(=O)[n-]2)CCN(CC2CCCCC2)C3)cc1 ZINC000019135282 556705709 /nfs/dbraw/zinc/70/57/09/556705709.db2.gz PDOUARSCKROCAJ-QHCPKHFHSA-N -1 3 434.584 4.406 40 0 IIABHM Cc1cc(C)c(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)cc2)c(C)c1 ZINC000013648244 556707061 /nfs/dbraw/zinc/70/70/61/556707061.db2.gz QDYNHOKMRBDKAV-NHTMILBNSA-N -1 3 428.488 4.369 40 0 IIABHM O=C(c1ccc(F)c(F)c1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCC1)C2 ZINC000019292802 556732144 /nfs/dbraw/zinc/73/21/44/556732144.db2.gz AWKSFCUWYRBYJJ-OAQYLSRUSA-N -1 3 442.510 4.129 40 0 IIABHM COc1ccc([C@H]2N(c3ccccc3)OC3=C([O-])N(c4ccc(F)cc4)C(=O)[C@@]32C)cc1 ZINC000001424750 556756419 /nfs/dbraw/zinc/75/64/19/556756419.db2.gz NMDGAVCPYORKSW-TZBSWOFLSA-N -1 3 432.451 4.276 40 0 IIABHM CC(C)N1CCc2c(nc([C@H]3CCCN3C(=O)C3(c4ccccc4)CCCC3)[n-]c2=O)C1 ZINC000019448391 556758027 /nfs/dbraw/zinc/75/80/27/556758027.db2.gz JZUUDJGJNSRILY-JOCHJYFZSA-N -1 3 434.584 4.124 40 0 IIABHM CSCC[C@H](NC(=O)c1oc2ccccc2c1C)c1cc(=O)[n-]c(-c2cccnc2)n1 ZINC000019566250 556806825 /nfs/dbraw/zinc/80/68/25/556806825.db2.gz OCSAXSQXPRHLCE-KRWDZBQOSA-N -1 3 434.521 4.111 40 0 IIABHM C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1NC2=C(CCCC2)[C@]1([O-])C(F)(F)F ZINC000408956263 556900310 /nfs/dbraw/zinc/90/03/10/556900310.db2.gz QEZRGWVDFOZNBG-ZXLZKYRFSA-N -1 3 425.234 4.400 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccccc3)c(C)c2)cc1 ZINC000409387029 557099135 /nfs/dbraw/zinc/09/91/35/557099135.db2.gz NCHLJSZJXZXDBA-LJQANCHMSA-N -1 3 438.549 4.360 40 0 IIABHM O=C1[C@@H]2C(=C([O-])N1c1c(Cl)cccc1Cl)ON(c1ccccc1)[C@H]2c1ccncc1 ZINC000102736567 557306798 /nfs/dbraw/zinc/30/67/98/557306798.db2.gz MYCSDMQSSHIWLC-BJLQDIEVSA-N -1 3 440.286 4.440 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)c3ccccc3)cc2)cc1Cl ZINC000222740629 557381732 /nfs/dbraw/zinc/38/17/32/557381732.db2.gz BGCAMFAZGAMSCX-UHFFFAOYSA-N -1 3 444.940 4.491 40 0 IIABHM COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)cc1 ZINC000013978180 557399765 /nfs/dbraw/zinc/39/97/65/557399765.db2.gz DCKVNFNLYNDVTO-UHFFFAOYSA-N -1 3 440.521 4.130 40 0 IIABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(C)c(C)c3)cc2)cc1 ZINC000013992364 557400480 /nfs/dbraw/zinc/40/04/80/557400480.db2.gz PCDGCWHXCKERQO-UHFFFAOYSA-N -1 3 440.521 4.130 40 0 IIABHM CCOc1cccc(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(OC)cc3)c2)c1 ZINC000224061715 557553216 /nfs/dbraw/zinc/55/32/16/557553216.db2.gz HTKXCEIAWCOIAM-UHFFFAOYSA-N -1 3 440.521 4.455 40 0 IIABHM COc1ccccc1/C=C/C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000224534066 557617560 /nfs/dbraw/zinc/61/75/60/557617560.db2.gz XNKWSZMSEKNXFM-GIDUJCDVSA-N -1 3 426.469 4.287 40 0 IIABHM Cc1ccc(CS(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)cc1 ZINC000224548312 557620665 /nfs/dbraw/zinc/62/06/65/557620665.db2.gz YVHFEJQSAZQQJV-UHFFFAOYSA-N -1 3 444.578 4.355 40 0 IIABHM Cc1ccc(CS(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1 ZINC000224548031 557620701 /nfs/dbraw/zinc/62/07/01/557620701.db2.gz OOZMVJHIPHOXAA-UHFFFAOYSA-N -1 3 444.578 4.355 40 0 IIABHM CCc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)cc1 ZINC000224552395 557621708 /nfs/dbraw/zinc/62/17/08/557621708.db2.gz IKTYDXKSJXGMJJ-UHFFFAOYSA-N -1 3 428.485 4.206 40 0 IIABHM C[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1)c1ccc(C(C)(C)C)cc1 ZINC000224586140 557627530 /nfs/dbraw/zinc/62/75/30/557627530.db2.gz XUDSGSQPZXIWEM-AWEZNQCLSA-N -1 3 444.582 4.127 40 0 IIABHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CC(C)(C)Oc2cc(C)ccc21 ZINC000225283244 557708852 /nfs/dbraw/zinc/70/88/52/557708852.db2.gz IOJPEWROUOWHFA-HNNXBMFYSA-N -1 3 440.359 4.347 40 0 IIABHM CCC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(OCc4ccccc4)cc3)ccc21 ZINC000225308379 557710650 /nfs/dbraw/zinc/71/06/50/557710650.db2.gz JMVHFTIIESHAQS-UHFFFAOYSA-N -1 3 436.533 4.366 40 0 IIABHM Cc1csc([N-]c2cncc(C3CCN(S(=O)(=O)c4ccc(F)c(C)c4)CC3)n2)n1 ZINC000257220228 568674442 /nfs/dbraw/zinc/67/44/42/568674442.db2.gz DKCLVRABLLNXQB-UHFFFAOYSA-N -1 3 447.561 4.001 40 0 IIABHM Cc1cc(NC(=S)NC(=O)COc2ccc(Cl)c(C)c2)cc(Br)c1[O-] ZINC000226244273 569177989 /nfs/dbraw/zinc/17/79/89/569177989.db2.gz OBIZFNBWUIXLLN-UHFFFAOYSA-N -1 3 443.750 4.317 40 0 IIABHM Cc1ccsc1CN1CCc2nc([C@H]3CCCN3C(=O)C[C@@H]3C=CCC3)[n-]c(=O)c2C1 ZINC000253599413 569209121 /nfs/dbraw/zinc/20/91/21/569209121.db2.gz PMNWPCUMKYGKHY-YLJYHZDGSA-N -1 3 438.597 4.130 40 0 IIABHM O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)Nc1cc(Cl)ccc1[O-] ZINC000107909274 569251656 /nfs/dbraw/zinc/25/16/56/569251656.db2.gz GLNXTEISSGRUMQ-UHFFFAOYSA-N -1 3 437.908 4.476 40 0 IIABHM CCOC(=O)[C@@]([O-])(c1ccc(N(CC)C(=O)c2ccc(Cl)cc2)cc1)C(F)(F)F ZINC000003114678 569440432 /nfs/dbraw/zinc/44/04/32/569440432.db2.gz ZGSJFUBHTRWYRK-IBGZPJMESA-N -1 3 429.822 4.320 40 0 IIABHM Cc1cc(CN2CCc3nc4cc(C(C)(C)C)[n-]n4c(=O)c3C2)c(C)n1Cc1cccnc1 ZINC000012142931 524710436 /nfs/dbraw/zinc/71/04/36/524710436.db2.gz PDNRAOJJUCAKGV-UHFFFAOYSA-N -1 3 444.583 4.152 40 0 IIABHM COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc([O-])c(-c2nc3ccccc3o2)c1 ZINC000022528034 526216445 /nfs/dbraw/zinc/21/64/45/526216445.db2.gz ZQRLCDFWRHZOIF-UHFFFAOYSA-N -1 3 449.488 4.344 40 0 IIABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl)NC1CCCCC1 ZINC000408562677 555905989 /nfs/dbraw/zinc/90/59/89/555905989.db2.gz RIDQFKPWZSIAHD-UHFFFAOYSA-N -1 3 440.924 4.108 40 0 IIABHM CCC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408593139 555954896 /nfs/dbraw/zinc/95/48/96/555954896.db2.gz LPNQGFGMOUKMRJ-KBXCAEBGSA-N -1 3 443.396 4.188 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)NC3CCCCC3)cc2)cc1C ZINC000408595049 555960804 /nfs/dbraw/zinc/96/08/04/555960804.db2.gz SYXGRVDMULMNKG-GOSISDBHSA-N -1 3 430.570 4.320 40 0 IIABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1 ZINC000408636335 556018990 /nfs/dbraw/zinc/01/89/90/556018990.db2.gz OLTOKLCUUXHOCH-UHFFFAOYSA-N -1 3 446.912 4.167 40 0 IIABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)Nc1ccc(F)cc1F ZINC000408678519 556072955 /nfs/dbraw/zinc/07/29/55/556072955.db2.gz SMFOPUMWACUMPH-UHFFFAOYSA-N -1 3 432.448 4.092 40 0 IIABHM COc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000408679535 556074124 /nfs/dbraw/zinc/07/41/24/556074124.db2.gz NLZGEWITRWYEKM-QGZVFWFLSA-N -1 3 440.521 4.210 40 0 IIABHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCC3)c2)cc1 ZINC000408693044 556092835 /nfs/dbraw/zinc/09/28/35/556092835.db2.gz CRLAZJMRWNVMRL-UHFFFAOYSA-N -1 3 430.570 4.465 40 0 IIABHM COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000408702064 556105452 /nfs/dbraw/zinc/10/54/52/556105452.db2.gz ASOCRBMUGXGXSA-UHFFFAOYSA-N -1 3 430.570 4.492 40 0 IIABHM COc1ccc(S(=O)(=O)[N-]c2ccc3sc(C(=O)N4CCCC4)cc3c2)cc1C ZINC000408712961 556124452 /nfs/dbraw/zinc/12/44/52/556124452.db2.gz DKRSTYXKYNMKMG-UHFFFAOYSA-N -1 3 430.551 4.255 40 0 IIABHM COc1ccccc1Cn1c(C)cc([O-])c(C(=O)Nc2ccc(Cl)c(Cl)c2)c1=O ZINC000016790303 556642799 /nfs/dbraw/zinc/64/27/99/556642799.db2.gz IWNSWPONMUGSAG-UHFFFAOYSA-N -1 3 433.291 4.478 40 0 IIABHM Cc1onc(-c2ccc(C)cc2)c1C(=O)N[C@@H](Cc1cc(=O)[n-]c(C)n1)c1ccc(F)cc1 ZINC000019212015 556709713 /nfs/dbraw/zinc/70/97/13/556709713.db2.gz AVNHPRMJGMVGTK-NRFANRHFSA-N -1 3 446.482 4.203 40 0 IIABHM Cc1ccc2nc(C)c(C(=O)N3CCC[C@@H]3c3nc4c(c(=O)[n-]3)CCN(C(C)C)C4)cc2c1 ZINC000019221145 556715426 /nfs/dbraw/zinc/71/54/26/556715426.db2.gz GIRGQYVMWNXUES-HSZRJFAPSA-N -1 3 445.567 4.091 40 0 IIABHM C[C@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2cc3ccccc3cc2[O-])n1C ZINC000000896700 556740973 /nfs/dbraw/zinc/74/09/73/556740973.db2.gz RNNRPJFYJCJPDC-HNNXBMFYSA-N -1 3 430.533 4.411 40 0 IIABHM O=C(CCc1ccccc1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(CC1CCCCC1)C2 ZINC000019370758 556748237 /nfs/dbraw/zinc/74/82/37/556748237.db2.gz HOUXZYYBYRYRQU-DEOSSOPVSA-N -1 3 448.611 4.417 40 0 IIABHM Cc1cc(C)cc(O[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C)n2)c1 ZINC000019569762 556809858 /nfs/dbraw/zinc/80/98/58/556809858.db2.gz CXXRLRPZOXHBBU-SBUREZEXSA-N -1 3 444.535 4.044 40 0 IIABHM CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nnc(-c2ccccc2[O-])o1 ZINC000006599460 556837532 /nfs/dbraw/zinc/83/75/32/556837532.db2.gz BUMWUIOEZBRJOZ-UHFFFAOYSA-N -1 3 433.511 4.028 40 0 IIABHM CCOc1ccc(N2C(=O)/C(=C/c3cc(Cl)c([O-])c(OCC)c3)N(C)C2=S)cc1 ZINC000409039705 556928167 /nfs/dbraw/zinc/92/81/67/556928167.db2.gz XGKAYJAZCHKSKN-BOPFTXTBSA-N -1 3 432.929 4.447 40 0 IIABHM COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)cc(Cl)c1[O-] ZINC000409150831 556974993 /nfs/dbraw/zinc/97/49/93/556974993.db2.gz FEKFFRZXESRQBE-SXGWCWSVSA-N -1 3 432.885 4.038 40 0 IIABHM COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@H]3c2cccs2)c1 ZINC000100642048 557267269 /nfs/dbraw/zinc/26/72/69/557267269.db2.gz ZAYSVDYPHSILKN-AABGKKOBSA-N -1 3 440.908 4.461 40 0 IIABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)NCc1cccc2ccccc21 ZINC000222676452 557372334 /nfs/dbraw/zinc/37/23/34/557372334.db2.gz YNLFHIINYXTFEC-UHFFFAOYSA-N -1 3 446.528 4.336 40 0 IIABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3c4ccccc4C[C@@H]3C)cc2)c1 ZINC000222689907 557374480 /nfs/dbraw/zinc/37/44/80/557374480.db2.gz DVGFXAIYIGUPOU-SFHVURJKSA-N -1 3 436.533 4.152 40 0 IIABHM CN(C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccc(F)cc1 ZINC000222702660 557376381 /nfs/dbraw/zinc/37/63/81/557376381.db2.gz KDRDDKBCSKGAMX-UHFFFAOYSA-N -1 3 448.903 4.322 40 0 IIABHM Cc1ccc(N(C)C(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2C)cc1C ZINC000222798950 557387919 /nfs/dbraw/zinc/38/79/19/557387919.db2.gz UCIXPUHZXCWZRB-UHFFFAOYSA-N -1 3 438.549 4.454 40 0 IIABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)N(C)c1ccc(F)cc1 ZINC000222805536 557388740 /nfs/dbraw/zinc/38/87/40/557388740.db2.gz GJAXQDZYTRFKEW-UHFFFAOYSA-N -1 3 446.475 4.116 40 0 IIABHM CCOc1cc([C@H]2NN=C(c3ccccc3)S2)cc(I)c1[O-] ZINC000015228147 557435973 /nfs/dbraw/zinc/43/59/73/557435973.db2.gz OACPHLQVQPSEEP-INIZCTEOSA-N -1 3 426.279 4.092 40 0 IIABHM O=C(NCCSC1CCCCC1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000223960934 557534795 /nfs/dbraw/zinc/53/47/95/557534795.db2.gz SIGKVFYJPNOKJY-UHFFFAOYSA-N -1 3 436.574 4.422 40 0 IIABHM Cc1ccc(OC[C@@H](C)NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)cc1 ZINC000223963717 557535391 /nfs/dbraw/zinc/53/53/91/557535391.db2.gz YQFXWINLMAHZIK-QGZVFWFLSA-N -1 3 442.512 4.132 40 0 IIABHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C)CC(C)(C)c1ccccc1 ZINC000224336370 557593213 /nfs/dbraw/zinc/59/32/13/557593213.db2.gz QRYRKLXPXKNDSW-AWEZNQCLSA-N -1 3 426.376 4.492 40 0 IIABHM Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3ccccc3)cc2)c(C)c1 ZINC000224545545 557620131 /nfs/dbraw/zinc/62/01/31/557620131.db2.gz HHFIUMAHWXDHAJ-UHFFFAOYSA-N -1 3 430.551 4.046 40 0 IIABHM Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3ccccc3C)cc2)cc1 ZINC000224546613 557620181 /nfs/dbraw/zinc/62/01/81/557620181.db2.gz UYFNEOOIAITOBK-UHFFFAOYSA-N -1 3 430.551 4.046 40 0 IIABHM Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])nc1 ZINC000224594297 557628607 /nfs/dbraw/zinc/62/86/07/557628607.db2.gz DRQYUUOQRJBNGE-PKTZIBPZSA-N -1 3 427.533 4.458 40 0 IIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)c2ccccc2)cc1 ZINC000028206989 557647257 /nfs/dbraw/zinc/64/72/57/557647257.db2.gz MKKBAJVDPPQLLV-KRWDZBQOSA-N -1 3 436.533 4.478 40 0 IIABHM COCCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1cc(Cl)ccc1[O-] ZINC000224865092 557659974 /nfs/dbraw/zinc/65/99/74/557659974.db2.gz SOIHWTXQWZXFGD-UXHICEINSA-N -1 3 428.945 4.066 40 0 IIABHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CC(C)(C)Oc2ccc(C)cc21 ZINC000224974528 557673361 /nfs/dbraw/zinc/67/33/61/557673361.db2.gz UYEOCVSLXKWIRX-OAHLLOKOSA-N -1 3 440.359 4.347 40 0 IIABHM CC(C)n1c2ccc(S(=O)(=O)[N-]c3ccc(N4CCCCC4)cc3)cc2sc1=O ZINC000224981108 557674282 /nfs/dbraw/zinc/67/42/82/557674282.db2.gz AOPUJNRBUJTXRZ-UHFFFAOYSA-N -1 3 431.583 4.435 40 0 IIABHM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1Br ZINC000028940197 557738463 /nfs/dbraw/zinc/73/84/63/557738463.db2.gz SMSPVMVILBGOIC-UHFFFAOYSA-N -1 3 439.100 4.160 40 0 IIABHM C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1NC(C(F)(F)F)=C[C@]1([O-])C(F)(F)F ZINC000059192191 557817990 /nfs/dbraw/zinc/81/79/90/557817990.db2.gz RVUONAGUZWYMTJ-QTTZVWFDSA-N -1 3 439.139 4.162 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1C ZINC000034689436 569247269 /nfs/dbraw/zinc/24/72/69/569247269.db2.gz DYSDXFMTDMGVGH-LJQANCHMSA-N -1 3 438.549 4.360 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3c(F)cccc3F)c(C)c2)cc1 ZINC000108088371 569252394 /nfs/dbraw/zinc/25/23/94/569252394.db2.gz XXJGJUWPRPTUGO-UHFFFAOYSA-N -1 3 446.475 4.400 40 0 IIABHM COc1ccc(CCCC(=O)N2CCC(c3nc(-c4ccccn4)cc(=O)[n-]3)CC2)cc1C ZINC000012256447 523929100 /nfs/dbraw/zinc/92/91/00/523929100.db2.gz RHKKIPSYOIRUCX-UHFFFAOYSA-N -1 3 446.551 4.290 40 0 IIABHM Cc1cc(C)cc(O[C@@H](C)C(=O)N2CCC(c3nc(-c4ccccn4)cc(=O)[n-]3)CC2)c1 ZINC000012256506 524454499 /nfs/dbraw/zinc/45/44/99/524454499.db2.gz HPKPWSVVJGFTMW-SFHVURJKSA-N -1 3 432.524 4.035 40 0 IIABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3cc(C)ccc3C)cc2)cc1 ZINC000012488293 524693485 /nfs/dbraw/zinc/69/34/85/524693485.db2.gz IZXXUNXARIIDLW-UHFFFAOYSA-N -1 3 440.521 4.130 40 0 IIABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCc3ccccc3)cc2Cl)cc1 ZINC000020460034 525600624 /nfs/dbraw/zinc/60/06/24/525600624.db2.gz NGMNQNGKFLZVIR-UHFFFAOYSA-N -1 3 428.941 4.422 40 0 IIABHM O=C(CSc1nnc2[n-]c(=O)c(-c3ccc(Cl)cc3)nn21)c1ccc(Cl)cc1 ZINC000022720295 527091502 /nfs/dbraw/zinc/09/15/02/527091502.db2.gz IHMYFSYACCYHDC-UHFFFAOYSA-N -1 3 432.292 4.174 40 0 IIABHM CCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC000408534481 555751469 /nfs/dbraw/zinc/75/14/69/555751469.db2.gz SNDHBJGCORAFII-UHFFFAOYSA-N -1 3 444.484 4.043 40 0 IIABHM CCN(C(=O)CSc1nnc(-c2cc(Br)ccc2[O-])n1C)c1ccccc1 ZINC000408540986 555801102 /nfs/dbraw/zinc/80/11/02/555801102.db2.gz ALSXYNQDPRZVDG-UHFFFAOYSA-N -1 3 447.358 4.095 40 0 IIABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)c1 ZINC000035178391 555946870 /nfs/dbraw/zinc/94/68/70/555946870.db2.gz NHFLXMIXFQTZMP-LJQANCHMSA-N -1 3 438.549 4.360 40 0 IIABHM O=C1[C@H]2[C@H](C(=O)N1c1ccccc1[O-])C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408667242 556055467 /nfs/dbraw/zinc/05/54/67/556055467.db2.gz VFZDHZDHTKUGNT-LMHXZZLNSA-N -1 3 436.294 4.490 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCCCCC3)c(C)c2)cc1C ZINC000408674701 556065675 /nfs/dbraw/zinc/06/56/75/556065675.db2.gz GBWVBSQLOJWBGG-UHFFFAOYSA-N -1 3 430.570 4.194 40 0 IIABHM COc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000408679505 556074151 /nfs/dbraw/zinc/07/41/51/556074151.db2.gz MUCOBKVJWQNPFH-OAHLLOKOSA-N -1 3 444.484 4.041 40 0 IIABHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@H]3c2ccccc2)cc1 ZINC000100799262 556591139 /nfs/dbraw/zinc/59/11/39/556591139.db2.gz WMUKCJWSARQGPN-FKBYEOEOSA-N -1 3 434.879 4.400 40 0 IIABHM O=C(C=Cc1ccccc1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCC1)C2 ZINC000019368493 556746666 /nfs/dbraw/zinc/74/66/66/556746666.db2.gz LGXBWKCUEZNPJY-YAOQVBECSA-N -1 3 432.568 4.250 40 0 IIABHM COc1cccc(CN2CCC(C[C@H]3CC(c4ccc(F)cc4)=NO3)(C(=O)[O-])CC2)c1 ZINC000019564789 556805643 /nfs/dbraw/zinc/80/56/43/556805643.db2.gz OSNTWQRVSYOJBE-OAQYLSRUSA-N -1 3 426.488 4.084 40 0 IIABHM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)cc1OC ZINC000408914146 556889612 /nfs/dbraw/zinc/88/96/12/556889612.db2.gz VSQPMFZYJSGIQI-UHFFFAOYSA-N -1 3 440.521 4.374 40 0 IIABHM O=C(COc1ccc(Cl)cc1Cl)N1NC2=C(CCCCC2)[C@]1([O-])C(F)(F)F ZINC000408954988 556899036 /nfs/dbraw/zinc/89/90/36/556899036.db2.gz NZYABCJGVSWIPV-ZBEGNZNMSA-N -1 3 425.234 4.402 40 0 IIABHM Cc1ccc(CN2CCCC[C@H]2c2cc3nc4c(c(=O)n3[n-]2)CN(C(=O)C(C)C)CC4)cc1 ZINC000100243187 557255317 /nfs/dbraw/zinc/25/53/17/557255317.db2.gz OAZLFNZKLNTPCZ-QHCPKHFHSA-N -1 3 447.583 4.011 40 0 IIABHM Cc1cccc(CN2CCCC[C@@H]2c2cc3nc4c(c(=O)n3[n-]2)CN(C(=O)C(C)C)CC4)c1 ZINC000100243192 557255345 /nfs/dbraw/zinc/25/53/45/557255345.db2.gz HGBCZOOFJQCFJY-HSZRJFAPSA-N -1 3 447.583 4.011 40 0 IIABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3cccc(C)c3)cc2)cc1 ZINC000013992459 557400855 /nfs/dbraw/zinc/40/08/55/557400855.db2.gz ROEZLVAZNFJYKW-KRWDZBQOSA-N -1 3 440.521 4.210 40 0 IIABHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(C)cc2)cc1 ZINC000101168023 557416179 /nfs/dbraw/zinc/41/61/79/557416179.db2.gz AWTVSNZKEXJBJA-SGNDLWITSA-N -1 3 428.488 4.445 40 0 IIABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(F)cc3)cc2)cc1 ZINC000014398430 557436316 /nfs/dbraw/zinc/43/63/16/557436316.db2.gz WHSLYTITJMWIND-OAHLLOKOSA-N -1 3 444.484 4.041 40 0 IIABHM COc1ccc2cc(S(=O)(=O)[N-]c3ccc(OC4CCN(C)CC4)cc3)ccc2c1 ZINC000223136716 557437596 /nfs/dbraw/zinc/43/75/96/557437596.db2.gz WUZFRSTUHKOCDK-UHFFFAOYSA-N -1 3 426.538 4.122 40 0 IIABHM CSc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1C(=O)N1CCCCC1 ZINC000026116278 557440383 /nfs/dbraw/zinc/44/03/83/557440383.db2.gz MYPRRXVOHBVDDJ-UHFFFAOYSA-N -1 3 426.510 4.114 40 0 IIABHM COc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102861329 557458312 /nfs/dbraw/zinc/45/83/12/557458312.db2.gz IUBITZYLXRRGMJ-BHIFYINESA-N -1 3 434.879 4.400 40 0 IIABHM Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3cc(C(F)(F)F)ccc3Cl)c(Cl)cc21 ZINC000223345415 557460862 /nfs/dbraw/zinc/46/08/62/557460862.db2.gz MOPFUNCGQKCMRT-UHFFFAOYSA-N -1 3 441.214 4.258 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(N4CCCC4=O)c3)cc2)cc1 ZINC000224557395 557622901 /nfs/dbraw/zinc/62/29/01/557622901.db2.gz OTFUYDDCKIDWSE-UHFFFAOYSA-N -1 3 449.532 4.175 40 0 IIABHM COc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)cc1 ZINC000224557466 557622958 /nfs/dbraw/zinc/62/29/58/557622958.db2.gz MYLAOMOAWSJTLO-UHFFFAOYSA-N -1 3 446.525 4.366 40 0 IIABHM COc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)c1 ZINC000224559148 557623416 /nfs/dbraw/zinc/62/34/16/557623416.db2.gz QUITYTRCCMTYDC-HNNXBMFYSA-N -1 3 444.484 4.041 40 0 IIABHM [O-]c1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccccn1 ZINC000224615352 557631199 /nfs/dbraw/zinc/63/11/99/557631199.db2.gz KTCPDRJZDWUPQI-GOTSBHOMSA-N -1 3 427.533 4.209 40 0 IIABHM O=C(C1CC1)N1CCc2cc(S(=O)(=O)[N-]c3cc(C(F)(F)F)ccc3Cl)ccc21 ZINC000224946543 557670027 /nfs/dbraw/zinc/67/00/27/557670027.db2.gz DKAOSJZDNRUFFD-UHFFFAOYSA-N -1 3 444.862 4.459 40 0 IIABHM COc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)c1OC ZINC000225045242 557682365 /nfs/dbraw/zinc/68/23/65/557682365.db2.gz BSEDTWZOPLLPNK-UHFFFAOYSA-N -1 3 426.494 4.065 40 0 IIABHM CC[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(C)cc2)s1)c1ccc(C)c(C)c1 ZINC000225523879 557735595 /nfs/dbraw/zinc/73/55/95/557735595.db2.gz XHFQYDRSPAGYAK-SFHVURJKSA-N -1 3 444.582 4.145 40 0 IIABHM CCCn1c(=O)sc2cc(S(=O)(=O)[N-]c3ccc(Br)cc3F)ccc21 ZINC000225727024 557769333 /nfs/dbraw/zinc/76/93/33/557769333.db2.gz QBVAEGREXLNKDC-UHFFFAOYSA-N -1 3 445.335 4.175 40 0 IIABHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1nc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000225736318 557770743 /nfs/dbraw/zinc/77/07/43/557770743.db2.gz XWTLPKQRLIPISK-UHFFFAOYSA-N -1 3 435.933 4.175 40 0 IIABHM Cc1cc(CN2CCC([C@]3(C)CN(Cc4ccccc4)C(=O)O3)CC2)cc(C(=O)[O-])c1O ZINC000257225330 568676826 /nfs/dbraw/zinc/67/68/26/568676826.db2.gz FFSZVUWAAIPZCR-VWLOTQADSA-N -1 3 438.524 4.022 40 0 IIABHM CCOC(=O)c1[n-]c(=O)[nH]c1CSc1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000001061986 568788043 /nfs/dbraw/zinc/78/80/43/568788043.db2.gz NWXJIINNSHJSAW-UHFFFAOYSA-N -1 3 432.505 4.296 40 0 IIABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cccc3C)cc2)cc1 ZINC000033861631 569247089 /nfs/dbraw/zinc/24/70/89/569247089.db2.gz RZULRCNLJRFAFY-UHFFFAOYSA-N -1 3 440.521 4.130 40 0 IIABHM Cc1ccc(NC(=O)CSc2nc(-c3cc(Br)ccc3[O-])n[nH]2)c(C)c1 ZINC000105942403 569250343 /nfs/dbraw/zinc/25/03/43/569250343.db2.gz HHNOMMYQIMJIIY-UHFFFAOYSA-N -1 3 433.331 4.287 40 0 IIABHM Cc1ccc(NC(=O)CSc2n[nH]c(-c3cc(Br)ccc3[O-])n2)c(C)c1 ZINC000105942403 569250345 /nfs/dbraw/zinc/25/03/45/569250345.db2.gz HHNOMMYQIMJIIY-UHFFFAOYSA-N -1 3 433.331 4.287 40 0 IIABHM CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Cl)ccc3[O-])C2=O)cc1 ZINC000210816593 569255808 /nfs/dbraw/zinc/25/58/08/569255808.db2.gz JKZWPHKFCMFSBC-LICLKQGHSA-N -1 3 432.885 4.119 40 0 IIABHM CCCc1nc2c(n1Cc1ccc(-c3ccccc3-c3nnn[n-]3)cc1)C(=O)OC2(C)C ZINC000077312058 569293523 /nfs/dbraw/zinc/29/35/23/569293523.db2.gz JUQNVWFXORBZQJ-UHFFFAOYSA-N -1 3 428.496 4.137 40 0 in-vitro IIABHM CCCc1nc2c(n1Cc1ccc(-c3ccccc3-c3nn[n-]n3)cc1)C(=O)OC2(C)C ZINC000077312058 569293525 /nfs/dbraw/zinc/29/35/25/569293525.db2.gz JUQNVWFXORBZQJ-UHFFFAOYSA-N -1 3 428.496 4.137 40 0 in-vitro IIABHM COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(SC)cc2)c1 ZINC000011666690 569302889 /nfs/dbraw/zinc/30/28/89/569302889.db2.gz GWDKFFDTNYDZTC-VJBWXMMDSA-N -1 3 446.528 4.468 40 0 IIABHM CCOC(=O)[C@]([O-])(c1ccc(N(CC)C(=O)c2ccc(Cl)cc2)cc1)C(F)(F)F ZINC000003114677 569440467 /nfs/dbraw/zinc/44/04/67/569440467.db2.gz ZGSJFUBHTRWYRK-LJQANCHMSA-N -1 3 429.822 4.320 40 0 IIABHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@@H]3c2ccccc2)cc1 ZINC000008741613 569472957 /nfs/dbraw/zinc/47/29/57/569472957.db2.gz WMUKCJWSARQGPN-BDTNDASRSA-N -1 3 434.879 4.400 40 0 IIABHM CCc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC000012492447 524005291 /nfs/dbraw/zinc/00/52/91/524005291.db2.gz SVOWNRMHOYVQLR-UHFFFAOYSA-N -1 3 428.485 4.206 40 0 IIABHM Cc1cc(C)cc(O[C@H](C)C(=O)N2CCC(c3nc(-c4ccccn4)cc(=O)[n-]3)CC2)c1 ZINC000012256500 524455984 /nfs/dbraw/zinc/45/59/84/524455984.db2.gz HPKPWSVVJGFTMW-GOSISDBHSA-N -1 3 432.524 4.035 40 0 IIABHM C[C@H](NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccc(F)cc1 ZINC000022537000 524969818 /nfs/dbraw/zinc/96/98/18/524969818.db2.gz HFTNUJSFXJRDJQ-HNNXBMFYSA-N -1 3 446.475 4.022 40 0 IIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccccc3F)c2)cc1 ZINC000408554547 555884547 /nfs/dbraw/zinc/88/45/47/555884547.db2.gz BWLHGGSIFHVSFJ-UHFFFAOYSA-N -1 3 444.484 4.286 40 0 IIABHM COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1NC(=O)c1ccc(C)cc1 ZINC000408556009 555893303 /nfs/dbraw/zinc/89/33/03/555893303.db2.gz BTWQLJRIGGHZBW-UHFFFAOYSA-N -1 3 432.448 4.335 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1 ZINC000408584061 555932013 /nfs/dbraw/zinc/93/20/13/555932013.db2.gz LJLMKKAWYVLYAR-UHFFFAOYSA-N -1 3 430.913 4.467 40 0 IIABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)NC3CCCCC3)cc2)c1 ZINC000408590136 555947442 /nfs/dbraw/zinc/94/74/42/555947442.db2.gz JNFOYDHKWLJWAP-GOSISDBHSA-N -1 3 430.570 4.320 40 0 IIABHM CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1 ZINC000408598316 555956849 /nfs/dbraw/zinc/95/68/49/555956849.db2.gz ZAPNPBFNEDBISO-CYBMUJFWSA-N -1 3 445.368 4.334 40 0 IIABHM CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1 ZINC000408604159 555973798 /nfs/dbraw/zinc/97/37/98/555973798.db2.gz LEALKLXKTQLIIX-CQSZACIVSA-N -1 3 444.475 4.046 40 0 IIABHM O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1[O-])C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408667238 556055516 /nfs/dbraw/zinc/05/55/16/556055516.db2.gz VFZDHZDHTKUGNT-CSKPTYFESA-N -1 3 436.294 4.490 40 0 IIABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)Nc1cccc(F)c1 ZINC000408675101 556066368 /nfs/dbraw/zinc/06/63/68/556066368.db2.gz GKPZDUAPMJXRIX-UHFFFAOYSA-N -1 3 432.448 4.092 40 0 IIABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)NCCC1=CCCCC1 ZINC000408676297 556070992 /nfs/dbraw/zinc/07/09/92/556070992.db2.gz MYIFQWCPMKSTNR-UHFFFAOYSA-N -1 3 446.544 4.320 40 0 IIABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3c(F)cccc3F)cc2)c1 ZINC000035339939 556079553 /nfs/dbraw/zinc/07/95/53/556079553.db2.gz LQGYKSHYLRFQDI-UHFFFAOYSA-N -1 3 446.475 4.400 40 0 IIABHM COc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1Cl ZINC000016226875 556592786 /nfs/dbraw/zinc/59/27/86/556592786.db2.gz RTBLRKZRRKEGTO-UHFFFAOYSA-N -1 3 446.912 4.167 40 0 IIABHM Cc1c(Cl)cccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000016250017 556594648 /nfs/dbraw/zinc/59/46/48/556594648.db2.gz IDMCAGBZGVPBAA-UHFFFAOYSA-N -1 3 430.913 4.467 40 0 IIABHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc(OC)c2)cc1 ZINC000100939422 556612434 /nfs/dbraw/zinc/61/24/34/556612434.db2.gz MSOIFKSYWYSVLK-HJOGWXRNSA-N -1 3 444.487 4.145 40 0 IIABHM Cc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc(C(C)C)cc2)CC(=O)N3)cc1 ZINC000040400434 556643401 /nfs/dbraw/zinc/64/34/01/556643401.db2.gz BXZSCMRRYQMXLM-GOSISDBHSA-N -1 3 431.496 4.010 40 0 IIABHM O=C(CCC1CCCC1)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CCN(C2CCCCC2)C3)C1 ZINC000019014905 556692132 /nfs/dbraw/zinc/69/21/32/556692132.db2.gz TWKJESVXRJCPLH-LJQANCHMSA-N -1 3 426.605 4.159 40 0 IIABHM Cc1cc2ccccc2n1CCC(=O)N[C@@H](Cc1cc(=O)[n-]c(C)n1)c1ccc(F)cc1 ZINC000019126850 556703501 /nfs/dbraw/zinc/70/35/01/556703501.db2.gz BAANMILWTGHSFY-QFIPXVFZSA-N -1 3 432.499 4.383 40 0 IIABHM Cc1nc(C[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)c2ccc(F)cc2)cc(=O)[n-]1 ZINC000019285364 556727148 /nfs/dbraw/zinc/72/71/48/556727148.db2.gz KZHXFZNVKPMQBZ-XMMPIXPASA-N -1 3 441.506 4.450 40 0 IIABHM Cc1[nH]c2cc(C)cc(C)c2c1CC(=O)N[C@H](Cc1cc(=O)[n-]c(C)n1)c1ccc(F)cc1 ZINC000019568020 556808249 /nfs/dbraw/zinc/80/82/49/556808249.db2.gz AKLJRCQNIGWZHC-JOCHJYFZSA-N -1 3 446.526 4.267 40 0 IIABHM Cc1[nH]c2ccc(C(=O)N3CCC[C@H]3c3nc4c(c(=O)[n-]3)CCN(C(C)C)C4)cc2c1C ZINC000019576803 556815187 /nfs/dbraw/zinc/81/51/87/556815187.db2.gz YHTBWGKKGTVZDA-QFIPXVFZSA-N -1 3 433.556 4.024 40 0 IIABHM C[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)COc1ccc(Cl)cc1Cl)N2 ZINC000409054733 556938231 /nfs/dbraw/zinc/93/82/31/556938231.db2.gz BGVHJEKVIUPFCW-RBIVETJNSA-N -1 3 425.234 4.258 40 0 IIABHM COc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1 ZINC000020108419 556984026 /nfs/dbraw/zinc/98/40/26/556984026.db2.gz FZFZPOJUQAERDI-HNNXBMFYSA-N -1 3 444.484 4.041 40 0 IIABHM C[C@@H]1CCCC2=C1NN(C(=O)COc1ccc(Cl)cc1Cl)[C@]2([O-])C(F)(F)F ZINC000409178344 556987108 /nfs/dbraw/zinc/98/71/08/556987108.db2.gz KYOUMYQNAFFZPV-ZYSBLVPFSA-N -1 3 425.234 4.258 40 0 IIABHM CCOc1cc(C(=S)N2CCN(Cc3ccccc3)CC2)cc(Br)c1[O-] ZINC000409221086 557016513 /nfs/dbraw/zinc/01/65/13/557016513.db2.gz KRJLTJSYAQGUGJ-UHFFFAOYSA-N -1 3 435.387 4.047 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)c(C)c2)cc1 ZINC000409387026 557099076 /nfs/dbraw/zinc/09/90/76/557099076.db2.gz NCHLJSZJXZXDBA-IBGZPJMESA-N -1 3 438.549 4.360 40 0 IIABHM CCC(=O)N1c2ccccc2[C@@H]2C(=O)[N-]C(SC)=NN2[C@@H]1c1cccc2ccccc21 ZINC000588229070 557155314 /nfs/dbraw/zinc/15/53/14/557155314.db2.gz BVKAFJMLYBLWCY-FYYLOGMGSA-N -1 3 430.533 4.402 40 0 IIABHM CCC(=O)N1c2ccccc2[C@H]2C(=O)[N-]C(SC)=NN2[C@H]1c1cccc2ccccc21 ZINC000588229072 557155379 /nfs/dbraw/zinc/15/53/79/557155379.db2.gz BVKAFJMLYBLWCY-GMAHTHKFSA-N -1 3 430.533 4.402 40 0 IIABHM CO[C@H]1CC[C@H](C(=O)N[C@H](Cc2cc(=O)[n-]c(C3CCC3)n2)c2ccc(F)cc2)CC1 ZINC000100732546 557272887 /nfs/dbraw/zinc/27/28/87/557272887.db2.gz SDZHTWKOMNPHBH-JRGCBEDISA-N -1 3 427.520 4.194 40 0 IIABHM O=C1[C@H]2C(=C([O-])N1c1c(Cl)cccc1Cl)ON(c1ccccc1)[C@H]2c1cccnc1 ZINC000102733729 557306773 /nfs/dbraw/zinc/30/67/73/557306773.db2.gz ZXHZFLCORQNOFT-HBFSDRIKSA-N -1 3 440.286 4.440 40 0 IIABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)N2c3ccccc3C[C@@H]2C)cc1 ZINC000222682857 557373477 /nfs/dbraw/zinc/37/34/77/557373477.db2.gz DGZPGIBKRPWPSJ-SFHVURJKSA-N -1 3 436.533 4.152 40 0 IIABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCc3ccc(Cl)cc3)ccc2C)cc1 ZINC000224058406 557552974 /nfs/dbraw/zinc/55/29/74/557552974.db2.gz VZAVXUYCNQIDFL-UHFFFAOYSA-N -1 3 444.940 4.388 40 0 IIABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N(C)Cc3cccs3)ccc2C)cc1 ZINC000224102979 557561558 /nfs/dbraw/zinc/56/15/58/557561558.db2.gz WLSFKZCKGUULPQ-UHFFFAOYSA-N -1 3 430.551 4.138 40 0 IIABHM CCC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cc(C(F)(F)F)ccc3Cl)ccc21 ZINC000224378867 557599269 /nfs/dbraw/zinc/59/92/69/557599269.db2.gz YTRMWKOUFZIBKP-UHFFFAOYSA-N -1 3 432.851 4.459 40 0 IIABHM C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000224544378 557619609 /nfs/dbraw/zinc/61/96/09/557619609.db2.gz IDBNQOPVMXDQBH-AWEZNQCLSA-N -1 3 432.448 4.172 40 0 IIABHM Cc1cccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3ccccc3C)cc2)c1 ZINC000224546102 557620145 /nfs/dbraw/zinc/62/01/45/557620145.db2.gz TVYHFSZMUXVTFE-UHFFFAOYSA-N -1 3 430.551 4.046 40 0 IIABHM Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)cc1 ZINC000224570068 557625151 /nfs/dbraw/zinc/62/51/51/557625151.db2.gz QGWBAECDVXSLPW-UHFFFAOYSA-N -1 3 430.913 4.467 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccccc3F)cc2)c(C)c1 ZINC000224571733 557625319 /nfs/dbraw/zinc/62/53/19/557625319.db2.gz QZEKTBWUMSUIBL-UHFFFAOYSA-N -1 3 428.485 4.261 40 0 IIABHM COc1ccc(Cl)cc1C(=O)NC(=S)Nc1cc(C)c([O-])c(Br)c1 ZINC000226243928 569177813 /nfs/dbraw/zinc/17/78/13/569177813.db2.gz YNSIOACAUPMSLF-UHFFFAOYSA-N -1 3 429.723 4.252 40 0 IIABHM Cc1cc(NC(=S)NC(=O)c2cccc(Br)c2)cc(Br)c1[O-] ZINC000226243724 569177849 /nfs/dbraw/zinc/17/78/49/569177849.db2.gz SRHFAPDFNDWNEF-UHFFFAOYSA-N -1 3 444.148 4.352 40 0 IIABHM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)cc1OC ZINC000015529249 569225535 /nfs/dbraw/zinc/22/55/35/569225535.db2.gz YBHDNZOGVGKTMU-UHFFFAOYSA-N -1 3 440.521 4.374 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1C ZINC000034689435 569247185 /nfs/dbraw/zinc/24/71/85/569247185.db2.gz DYSDXFMTDMGVGH-IBGZPJMESA-N -1 3 438.549 4.360 40 0 IIABHM CCc1ccccc1NC(=O)CSc1nc(-c2cc(Br)ccc2[O-])n[nH]1 ZINC000105942406 569250362 /nfs/dbraw/zinc/25/03/62/569250362.db2.gz UPHJXFOSNAKOPW-UHFFFAOYSA-N -1 3 433.331 4.233 40 0 IIABHM CCc1ccccc1NC(=O)CSc1n[nH]c(-c2cc(Br)ccc2[O-])n1 ZINC000105942406 569250363 /nfs/dbraw/zinc/25/03/63/569250363.db2.gz UPHJXFOSNAKOPW-UHFFFAOYSA-N -1 3 433.331 4.233 40 0 IIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1 ZINC000108991540 569253382 /nfs/dbraw/zinc/25/33/82/569253382.db2.gz ONDQTLWWHNFPRE-UHFFFAOYSA-N -1 3 440.521 4.212 40 0 IIABHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@H]3c2cccs2)cc1 ZINC000018044708 569284269 /nfs/dbraw/zinc/28/42/69/569284269.db2.gz VOOMCSJTSLNGRL-UFYCRDLUSA-N -1 3 440.908 4.461 40 0 IIABHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000008951852 569292581 /nfs/dbraw/zinc/29/25/81/569292581.db2.gz FOSNTVDHSDNFAX-VSKRKVRLSA-N -1 3 434.879 4.400 40 0 IIABHM Cc1ccc(OCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)cc1 ZINC000022515477 525422645 /nfs/dbraw/zinc/42/26/45/525422645.db2.gz NLDNXBMMOSMUAB-UHFFFAOYSA-N -1 3 444.940 4.258 40 0 IIABHM CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc(Cl)c1[O-] ZINC000001416607 555695350 /nfs/dbraw/zinc/69/53/50/555695350.db2.gz DPKRSJDEMOVVLA-MHWRWJLKSA-N -1 3 432.885 4.119 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCCCCC3)c(Cl)c2)cc1 ZINC000408597501 555965406 /nfs/dbraw/zinc/96/54/06/555965406.db2.gz XCALCHZDFSGYSO-UHFFFAOYSA-N -1 3 436.961 4.231 40 0 IIABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)N[C@@H](C)c1ccccc1 ZINC000408674807 556066117 /nfs/dbraw/zinc/06/61/17/556066117.db2.gz CSUQNZATDWHBEU-KRWDZBQOSA-N -1 3 442.512 4.191 40 0 IIABHM CC(C)(CN1CCCCC1)C(=O)C[C@H](SCCS(=O)(=O)[O-])c1ccc(Cl)cc1 ZINC000005854711 556067838 /nfs/dbraw/zinc/06/78/38/556067838.db2.gz XTBVWNNCEKSYAE-SFHVURJKSA-N -1 3 448.050 4.473 40 0 IIABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)NC1CCCCC1 ZINC000408678499 556072910 /nfs/dbraw/zinc/07/29/10/556072910.db2.gz SIZXKKDHKITIRP-UHFFFAOYSA-N -1 3 436.961 4.277 40 0 IIABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C)cc3)c(C)c2)cc1 ZINC000408679413 556073912 /nfs/dbraw/zinc/07/39/12/556073912.db2.gz WPAQZEOPUUCSTN-UHFFFAOYSA-N -1 3 440.521 4.130 40 0 IIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccccc3)cc2)cc1 ZINC000014004426 556353865 /nfs/dbraw/zinc/35/38/65/556353865.db2.gz KHBOIQBAKXSSCE-KRWDZBQOSA-N -1 3 440.521 4.292 40 0 IIABHM CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(Br)c([O-])c(OC)c3)S2)cc1 ZINC000016161821 556586325 /nfs/dbraw/zinc/58/63/25/556586325.db2.gz IJZSWRNBKBXMMI-NXIIHZOPSA-N -1 3 435.343 4.325 40 0 IIABHM COc1ccc(C)cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000016293414 556598661 /nfs/dbraw/zinc/59/86/61/556598661.db2.gz JWTJPVZFFMYMDC-UHFFFAOYSA-N -1 3 440.521 4.130 40 0 IIABHM O=C(CC1CCCCC1)N1CCc2nc([C@@H]3CCCN3C3CCCCC3)[n-]c(=O)c2C1 ZINC000019014770 556692313 /nfs/dbraw/zinc/69/23/13/556692313.db2.gz JAKTXKCZJLHPGB-QFIPXVFZSA-N -1 3 426.605 4.095 40 0 IIABHM CCc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)c(OC)c2)cc1 ZINC000013688053 556711301 /nfs/dbraw/zinc/71/13/01/556711301.db2.gz UNADECRQZGYGGY-SGNDLWITSA-N -1 3 444.487 4.014 40 0 IIABHM CCOc1cc(CN2CCC(c3nc(-c4nccs4)cc(=O)[n-]3)CC2)ccc1OC ZINC000019531944 556792215 /nfs/dbraw/zinc/79/22/15/556792215.db2.gz VZJCUSIFUNHCOS-UHFFFAOYSA-N -1 3 426.542 4.093 40 0 IIABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)Nc2cc(F)ccc2F)cc1 ZINC000020020102 556964626 /nfs/dbraw/zinc/96/46/26/556964626.db2.gz XNBUBQYHVCVJDW-UHFFFAOYSA-N -1 3 432.448 4.092 40 0 IIABHM CO[C@H]1CC[C@H](C(=O)N[C@H](Cc2cc(=O)[n-]c(C3CCC3)n2)c2ccc(F)cc2)CC1 ZINC000257302717 557000984 /nfs/dbraw/zinc/00/09/84/557000984.db2.gz SDZHTWKOMNPHBH-DUXKGJEZSA-N -1 3 427.520 4.194 40 0 IIABHM CCCN(CCC)C(=O)CN1C(=O)S/C(=C\c2cc(Cl)c([O-])c(OCC)c2)C1=O ZINC000409211883 557006667 /nfs/dbraw/zinc/00/66/67/557006667.db2.gz OMGOJQAIVRHZKP-WJDWOHSUSA-N -1 3 440.949 4.129 40 0 IIABHM Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c(C)c1 ZINC000409390825 557095517 /nfs/dbraw/zinc/09/55/17/557095517.db2.gz LSAFAUPARRZKCY-UHFFFAOYSA-N -1 3 428.485 4.261 40 0 IIABHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000409393977 557098077 /nfs/dbraw/zinc/09/80/77/557098077.db2.gz ZSHVHPBGJLRCNX-SECBINFHSA-N -1 3 441.258 4.318 40 0 IIABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)Nc1ccccc1Cl ZINC000409387369 557099145 /nfs/dbraw/zinc/09/91/45/557099145.db2.gz ABYZKDIQIIUECF-UHFFFAOYSA-N -1 3 434.876 4.297 40 0 IIABHM Cc1ccc(C)c(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1 ZINC000409388128 557099843 /nfs/dbraw/zinc/09/98/43/557099843.db2.gz CDCHHYMHAQPSBI-UHFFFAOYSA-N -1 3 428.485 4.261 40 0 IIABHM CCn1c(SCC(=O)Nc2ccc(Br)cc2C)nnc1-c1ccccc1[O-] ZINC000409411561 557104526 /nfs/dbraw/zinc/10/45/26/557104526.db2.gz JFPDGWWDCHVCAC-UHFFFAOYSA-N -1 3 447.358 4.472 40 0 IIABHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)cc1 ZINC000020766854 557128995 /nfs/dbraw/zinc/12/89/95/557128995.db2.gz ZGDNQYIGDRAIII-UHFFFAOYSA-N -1 3 440.496 4.228 40 0 IIABHM CC(C)CN1C(=O)C2(C[C@@H]1Cc1ccccc1)CCN(Cc1cccc(C(=O)[O-])c1)CC2 ZINC000585183200 557138939 /nfs/dbraw/zinc/13/89/39/557138939.db2.gz SCYBXVUZPWSVKX-DEOSSOPVSA-N -1 3 434.580 4.467 40 0 IIABHM COc1cccc(CN(Cc2cccc(OC)c2)Cc2cc(=O)[n-]c(-c3cccnc3)n2)c1 ZINC000057774688 557264435 /nfs/dbraw/zinc/26/44/35/557264435.db2.gz CBDKZGPNNSBPIA-UHFFFAOYSA-N -1 3 442.519 4.464 40 0 IIABHM CCOc1ccc(Cl)cc1S(=O)(=O)[N-]CCNc1ccnc2cc(Cl)ccc21 ZINC000223005829 557414760 /nfs/dbraw/zinc/41/47/60/557414760.db2.gz AZQPMFQMFOVOKT-UHFFFAOYSA-N -1 3 440.352 4.331 40 0 IIABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCCC3=CCCCC3)ccc2C)cc1 ZINC000224060191 557553288 /nfs/dbraw/zinc/55/32/88/557553288.db2.gz UECUIHFXJAZQIE-UHFFFAOYSA-N -1 3 428.554 4.425 40 0 IIABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccc(F)c(F)c3)ccc2C)cc1 ZINC000224061488 557553343 /nfs/dbraw/zinc/55/33/43/557553343.db2.gz KFDHPOLEHQMIOO-UHFFFAOYSA-N -1 3 432.448 4.335 40 0 IIABHM COc1ccc(Br)cc1S(=O)(=O)[N-]CCCc1cccc(OC(C)C)c1 ZINC000224138313 557565458 /nfs/dbraw/zinc/56/54/58/557565458.db2.gz FOAIRQACFAZOIB-UHFFFAOYSA-N -1 3 442.375 4.156 40 0 IIABHM Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)c1 ZINC000224543850 557619463 /nfs/dbraw/zinc/61/94/63/557619463.db2.gz DTGHTOUHZPSUKN-INIZCTEOSA-N -1 3 428.485 4.341 40 0 IIABHM C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000224544329 557619500 /nfs/dbraw/zinc/61/95/00/557619500.db2.gz IDBNQOPVMXDQBH-CQSZACIVSA-N -1 3 432.448 4.172 40 0 IIABHM Cc1ccc(CS(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1 ZINC000224548453 557620673 /nfs/dbraw/zinc/62/06/73/557620673.db2.gz VFSDGSXYCXBAOJ-UHFFFAOYSA-N -1 3 430.551 4.046 40 0 IIABHM Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c(C)c1 ZINC000224575571 557626055 /nfs/dbraw/zinc/62/60/55/557626055.db2.gz IIINIGNCCHZUOT-UHFFFAOYSA-N -1 3 428.485 4.261 40 0 IIABHM [O-]c1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1Cc1cccnc1 ZINC000224597274 557629270 /nfs/dbraw/zinc/62/92/70/557629270.db2.gz KDPASROWMDZRFU-XZOQPEGZSA-N -1 3 427.533 4.209 40 0 IIABHM CCC1(CC)C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)OC)ccc2Cl)c2ccccc2O1 ZINC000224992463 557674950 /nfs/dbraw/zinc/67/49/50/557674950.db2.gz RHWYHAKXTNNECH-QGZVFWFLSA-N -1 3 437.945 4.488 40 0 IIABHM COc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)c1OC ZINC000225044892 557682441 /nfs/dbraw/zinc/68/24/41/557682441.db2.gz RVQBSEYMTPAVGQ-UHFFFAOYSA-N -1 3 440.521 4.374 40 0 IIABHM Cc1cc(CCCC(=O)N2CCC(c3cncc([N-]c4ncccn4)n3)CC2)ccc1F ZINC000257252527 568689617 /nfs/dbraw/zinc/68/96/17/568689617.db2.gz JVCJKEROXCOEQF-UHFFFAOYSA-N -1 3 434.519 4.187 40 0 IIABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1 ZINC000107732582 569251090 /nfs/dbraw/zinc/25/10/90/569251090.db2.gz OZVWUUVHXIXLGZ-UHFFFAOYSA-N -1 3 446.912 4.167 40 0 IIABHM Cc1ccccc1Cc1c(C)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[n-]c1=O ZINC000013611833 132351971 /nfs/dbraw/zinc/35/19/71/132351971.db2.gz BNJHZJZBRIATKS-UHFFFAOYSA-N -1 3 442.485 4.323 40 0 IIABHM COc1ccc(CCCC(=O)N2CCC(c3nc(-c4ccccn4)cc(=O)[n-]3)CC2)c(C)c1 ZINC000012256453 523928518 /nfs/dbraw/zinc/92/85/18/523928518.db2.gz DCIWHBZMAOYPDM-UHFFFAOYSA-N -1 3 446.551 4.290 40 0 IIABHM Cc1ccc(O[C@@H](C)C(=O)N2CCC(c3nc(-c4ccccn4)cc(=O)[n-]3)CC2)cc1C ZINC000012256527 525455260 /nfs/dbraw/zinc/45/52/60/525455260.db2.gz AYBSIONJIZBWNV-SFHVURJKSA-N -1 3 432.524 4.035 40 0 IIABHM Cc1ccc(O[C@H](C)C(=O)N2CCC(c3nc(-c4ccccn4)cc(=O)[n-]3)CC2)cc1C ZINC000012256521 525464593 /nfs/dbraw/zinc/46/45/93/525464593.db2.gz AYBSIONJIZBWNV-GOSISDBHSA-N -1 3 432.524 4.035 40 0 IIABHM Cc1nn(-c2ccccc2)c(Cl)c1C(=O)[N-]c1nnc(-c2ccc3c(c2)OCO3)s1 ZINC000000897716 555580538 /nfs/dbraw/zinc/58/05/38/555580538.db2.gz DHKKYIVSHMXDRA-UHFFFAOYSA-N -1 3 439.884 4.334 40 0 IIABHM O=C(CSc1nc(-c2cc(Br)ccc2[O-])n[nH]1)Nc1cccc(Cl)c1 ZINC000408541845 555790220 /nfs/dbraw/zinc/79/02/20/555790220.db2.gz FFTGPWOZTFCDFD-UHFFFAOYSA-N -1 3 439.722 4.324 40 0 IIABHM O=C(CSc1n[nH]c(-c2cc(Br)ccc2[O-])n1)Nc1cccc(Cl)c1 ZINC000408541845 555790223 /nfs/dbraw/zinc/79/02/23/555790223.db2.gz FFTGPWOZTFCDFD-UHFFFAOYSA-N -1 3 439.722 4.324 40 0 IIABHM Cc1ccc(F)cc1NC(=O)CSc1nc(-c2cc(Br)ccc2[O-])n[nH]1 ZINC000408544965 555793783 /nfs/dbraw/zinc/79/37/83/555793783.db2.gz JZWHNCLEPSYAJS-UHFFFAOYSA-N -1 3 437.294 4.118 40 0 IIABHM Cc1ccc(F)cc1NC(=O)CSc1n[nH]c(-c2cc(Br)ccc2[O-])n1 ZINC000408544965 555793789 /nfs/dbraw/zinc/79/37/89/555793789.db2.gz JZWHNCLEPSYAJS-UHFFFAOYSA-N -1 3 437.294 4.118 40 0 IIABHM CC(C)CCNC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408591592 555952070 /nfs/dbraw/zinc/95/20/70/555952070.db2.gz ITABIOMOAZSWAX-GOSISDBHSA-N -1 3 443.396 4.045 40 0 IIABHM Cc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2C)c1 ZINC000408677710 556071871 /nfs/dbraw/zinc/07/18/71/556071871.db2.gz QXHIOPOLLSONHX-UHFFFAOYSA-N -1 3 428.485 4.261 40 0 IIABHM COc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)cc1C(=O)N1CCCCCC1 ZINC000408693311 556093816 /nfs/dbraw/zinc/09/38/16/556093816.db2.gz NQEUGLAXCJMDAT-UHFFFAOYSA-N -1 3 430.570 4.437 40 0 IIABHM COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2)c1 ZINC000013714553 556286324 /nfs/dbraw/zinc/28/63/24/556286324.db2.gz WOETXSICZKRVLL-FKBYEOEOSA-N -1 3 434.879 4.400 40 0 IIABHM Cc1ccc(O[C@H](C)C(=O)N2CCC(c3nc(-c4ccccn4)cc(=O)[n-]3)CC2)c(C)c1 ZINC000013226938 556499704 /nfs/dbraw/zinc/49/97/04/556499704.db2.gz FKDYTCTXNBFIED-GOSISDBHSA-N -1 3 432.524 4.035 40 0 IIABHM CS(=O)(=O)[N-]c1ccc(Cl)c(C(=O)Nc2ccc(Br)c(Cl)c2)c1 ZINC000030853491 556509584 /nfs/dbraw/zinc/50/95/84/556509584.db2.gz WZFWNOQWMKYSAJ-UHFFFAOYSA-N -1 3 438.130 4.380 40 0 IIABHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2)cc1 ZINC000100918522 556604266 /nfs/dbraw/zinc/60/42/66/556604266.db2.gz FOSNTVDHSDNFAX-FKBYEOEOSA-N -1 3 434.879 4.400 40 0 IIABHM COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C([O-])=C3ON2c2ccccc2)cc1 ZINC000136472006 556689613 /nfs/dbraw/zinc/68/96/13/556689613.db2.gz KHWAVBYANPTJJF-FDFHNCONSA-N -1 3 434.879 4.400 40 0 IIABHM O=C(CC1CCCCC1)N1CCc2nc([C@H]3CCCN3C3CCCCC3)[n-]c(=O)c2C1 ZINC000019014772 556692008 /nfs/dbraw/zinc/69/20/08/556692008.db2.gz JAKTXKCZJLHPGB-JOCHJYFZSA-N -1 3 426.605 4.095 40 0 IIABHM COc1ccc(C)cc1CC(=O)N[C@@H](Cc1cc(=O)[n-]c(C)n1)c1ccc(Cl)cc1 ZINC000019133094 556705053 /nfs/dbraw/zinc/70/50/53/556705053.db2.gz UVHAGQLQHAPXHD-FQEVSTJZSA-N -1 3 425.916 4.104 40 0 IIABHM Cc1ccc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)CCN(Cc2cccs2)C3)cc1 ZINC000019135413 556706199 /nfs/dbraw/zinc/70/61/99/556706199.db2.gz MZEOLJCUGJAYLX-QFIPXVFZSA-N -1 3 448.592 4.478 40 0 IIABHM O=C(c1ccccc1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1cccs1)C2 ZINC000019368813 556746693 /nfs/dbraw/zinc/74/66/93/556746693.db2.gz AQJFTKVRKMABSI-NRFANRHFSA-N -1 3 434.565 4.169 40 0 IIABHM CCc1onc(C)c1C(=O)NCc1ccc(-c2n[n-]cc2C(=O)N(C)c2ccccc2)cc1 ZINC000019521166 556778075 /nfs/dbraw/zinc/77/80/75/556778075.db2.gz BRCMLXKAAMFBCG-UHFFFAOYSA-N -1 3 443.507 4.142 40 0 IIABHM CCOc1ccc(CN2CCC(c3nc(-c4nccs4)cc(=O)[n-]3)CC2)cc1OC ZINC000019533766 556793665 /nfs/dbraw/zinc/79/36/65/556793665.db2.gz CARJPXJDYDJGSN-UHFFFAOYSA-N -1 3 426.542 4.093 40 0 IIABHM Cc1cc(C)cc(O[C@H](C)C(=O)N[C@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C)n2)c1 ZINC000019569765 556809860 /nfs/dbraw/zinc/80/98/60/556809860.db2.gz CXXRLRPZOXHBBU-UZUQRXQVSA-N -1 3 444.535 4.044 40 0 IIABHM Cc1[nH]c2ccc(F)cc2c1CC(=O)N[C@H](Cc1cc(=O)[n-]c(C(C)C)n1)c1ccccc1 ZINC000019581453 556819684 /nfs/dbraw/zinc/81/96/84/556819684.db2.gz VAUMIDNHXWZLLL-HSZRJFAPSA-N -1 3 446.526 4.465 40 0 IIABHM Cc1nnc([N-]c2cccc(C3CCN(CC(=O)N4CCCc5ccccc54)CC3)n2)s1 ZINC000072376136 556954306 /nfs/dbraw/zinc/95/43/06/556954306.db2.gz QGKLOAYVWGDTIW-UHFFFAOYSA-N -1 3 448.596 4.144 40 0 IIABHM C[C@H](NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000020019893 556964184 /nfs/dbraw/zinc/96/41/84/556964184.db2.gz VENNTANBEYVJKZ-INIZCTEOSA-N -1 3 444.940 4.397 40 0 IIABHM Cc1ccc(F)cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000020020728 556964872 /nfs/dbraw/zinc/96/48/72/556964872.db2.gz JOJJTDKAQRKXSX-UHFFFAOYSA-N -1 3 432.448 4.092 40 0 IIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3F)cc2)cc1 ZINC000409393120 557097263 /nfs/dbraw/zinc/09/72/63/557097263.db2.gz VLVWTLBYMFUYLN-UHFFFAOYSA-N -1 3 444.484 4.043 40 0 IIABHM CCc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000409389238 557100639 /nfs/dbraw/zinc/10/06/39/557100639.db2.gz GTSJWWAMFBEXLK-UHFFFAOYSA-N -1 3 428.485 4.206 40 0 IIABHM O=C([O-])c1ccccc1[C@H]1[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)C2ON1c1ccccc1 ZINC000102767728 557307819 /nfs/dbraw/zinc/30/78/19/557307819.db2.gz ZDTSWYWUPWCDBR-HKBOAZHASA-N -1 3 448.862 4.089 40 0 IIABHM Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c([O-])c12 ZINC000010166770 557335031 /nfs/dbraw/zinc/33/50/31/557335031.db2.gz HOAJZDQPEWSVLJ-UHFFFAOYSA-N -1 3 428.370 4.173 40 0 IIABHM Cc1cc(C)cc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1 ZINC000014399333 557436762 /nfs/dbraw/zinc/43/67/62/557436762.db2.gz AFCMEDXAUWGGAB-UHFFFAOYSA-N -1 3 428.485 4.261 40 0 IIABHM Cc1cccc(CCCNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)c1 ZINC000223961393 557535044 /nfs/dbraw/zinc/53/50/44/557535044.db2.gz GNUHJDNDHDUNEN-UHFFFAOYSA-N -1 3 426.513 4.298 40 0 IIABHM CC[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1)c1ccc(C)c(C)c1 ZINC000224001740 557542117 /nfs/dbraw/zinc/54/21/17/557542117.db2.gz LDJJXTPSLGPMCX-GOSISDBHSA-N -1 3 444.582 4.145 40 0 IIABHM [O-]c1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccccn1 ZINC000224615399 557631363 /nfs/dbraw/zinc/63/13/63/557631363.db2.gz KTCPDRJZDWUPQI-PKTZIBPZSA-N -1 3 427.533 4.209 40 0 IIABHM CCC(CC)c1nnc([N-]C(=O)c2cc(OC)c(OC)c(OC)c2Br)s1 ZINC000002888737 568789527 /nfs/dbraw/zinc/78/95/27/568789527.db2.gz ZQKXXGTYEBPQQO-UHFFFAOYSA-N -1 3 444.351 4.482 40 0 IIABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3SC)cc2)cc1 ZINC000015439030 569225506 /nfs/dbraw/zinc/22/55/06/569225506.db2.gz PDBJNDHZEUASMW-UHFFFAOYSA-N -1 3 428.535 4.470 40 0 IIABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)c1 ZINC000107851565 569251484 /nfs/dbraw/zinc/25/14/84/569251484.db2.gz YSCNALYEMMMILJ-UHFFFAOYSA-N -1 3 430.913 4.467 40 0 IIABHM COc1ccccc1N1CCN(c2nc(CSc3ccc(Cl)cc3)cc(=O)[n-]2)CC1 ZINC000013611384 132351842 /nfs/dbraw/zinc/35/18/42/132351842.db2.gz RFLBZSNEQZDEKB-UHFFFAOYSA-N -1 3 442.972 4.051 40 0 IIABHM COc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC000020488666 525102987 /nfs/dbraw/zinc/10/29/87/525102987.db2.gz DSOWMAWQGIKTLZ-UHFFFAOYSA-N -1 3 446.525 4.366 40 0 IIABHM CCOC(=O)[C@]([N-]c1ccccc1)(NC(=O)c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000002188003 555755848 /nfs/dbraw/zinc/75/58/48/555755848.db2.gz QBVZMSUGTBJPQH-KRWDZBQOSA-N -1 3 434.336 4.369 40 0 IIABHM Cc1ccc(F)c(NC(=O)CSc2nc(-c3cc(Br)ccc3[O-])n[nH]2)c1 ZINC000408544255 555791756 /nfs/dbraw/zinc/79/17/56/555791756.db2.gz CGDCNXAMJQOSSH-UHFFFAOYSA-N -1 3 437.294 4.118 40 0 IIABHM Cc1ccc(F)c(NC(=O)CSc2n[nH]c(-c3cc(Br)ccc3[O-])n2)c1 ZINC000408544255 555791757 /nfs/dbraw/zinc/79/17/57/555791757.db2.gz CGDCNXAMJQOSSH-UHFFFAOYSA-N -1 3 437.294 4.118 40 0 IIABHM Cn1c(COc2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1ccccc1[O-] ZINC000408600212 555958695 /nfs/dbraw/zinc/95/86/95/555958695.db2.gz XCCXVDBROXFGOM-UHFFFAOYSA-N -1 3 439.324 4.137 40 0 IIABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000408675933 556068910 /nfs/dbraw/zinc/06/89/10/556068910.db2.gz MCEVPWMYJWQCRZ-UHFFFAOYSA-N -1 3 430.913 4.467 40 0 IIABHM CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000408680903 556075524 /nfs/dbraw/zinc/07/55/24/556075524.db2.gz SSJIJRFDTPPQCA-OAQYLSRUSA-N -1 3 428.485 4.423 40 0 IIABHM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)N2CCC(C)CC2)c1 ZINC000408702465 556106133 /nfs/dbraw/zinc/10/61/33/556106133.db2.gz GJUUXFZCJBGSDG-UHFFFAOYSA-N -1 3 444.597 4.493 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(F)cc3)cc2)cc1C ZINC000015529168 556533564 /nfs/dbraw/zinc/53/35/64/556533564.db2.gz BYDKXMUBELPRAR-UHFFFAOYSA-N -1 3 428.485 4.261 40 0 IIABHM Cc1ccc(OCc2nc3ccccc3c(=O)n2[N-]C(=O)c2cccnc2)c(C(C)C)c1 ZINC000016284691 556597477 /nfs/dbraw/zinc/59/74/77/556597477.db2.gz KQORUSVCBIAVRA-UHFFFAOYSA-N -1 3 428.492 4.186 40 0 IIABHM CCc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc(OC)c2)cc1 ZINC000013648189 556707188 /nfs/dbraw/zinc/70/71/88/556707188.db2.gz ZOJIDIFKCOZITF-HJOGWXRNSA-N -1 3 428.488 4.309 40 0 IIABHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc(OC)c2)cc1 ZINC000013658663 556708158 /nfs/dbraw/zinc/70/81/58/556708158.db2.gz MSOIFKSYWYSVLK-SGNDLWITSA-N -1 3 444.487 4.145 40 0 IIABHM COc1ccccc1-n1c(SCC(=O)Nc2cccc(O)c2)nnc1-c1ccccc1[O-] ZINC000000915870 556746644 /nfs/dbraw/zinc/74/66/44/556746644.db2.gz VXGHUZURMNBNAP-UHFFFAOYSA-N -1 3 448.504 4.085 40 0 IIABHM O=C(C=Cc1ccccc1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCC1)C2 ZINC000019368491 556746627 /nfs/dbraw/zinc/74/66/27/556746627.db2.gz LGXBWKCUEZNPJY-ZVQQDINOSA-N -1 3 432.568 4.250 40 0 IIABHM O=c1[n-]c(-c2ccncc2)nc2c1CCN(Cc1c(OC(F)F)ccc3ccccc31)C2 ZINC000019376306 556752209 /nfs/dbraw/zinc/75/22/09/556752209.db2.gz AJNAKZSKDFHRDW-UHFFFAOYSA-N -1 3 434.446 4.145 40 0 IIABHM CCOCc1cc(CN2CCCC[C@@H]2c2cc(=O)[n-]c(-c3ccncc3)n2)ccc1OC ZINC000019531159 556791828 /nfs/dbraw/zinc/79/18/28/556791828.db2.gz DALQUVNYYUNSMU-JOCHJYFZSA-N -1 3 434.540 4.104 40 0 IIABHM CN(C(=O)c1c[n-]nc1-c1ccc(CNC(=O)Cc2ccc(F)cc2)cc1)c1ccccc1 ZINC000019586772 556823179 /nfs/dbraw/zinc/82/31/79/556823179.db2.gz YXXRFCPWPODRPQ-UHFFFAOYSA-N -1 3 442.494 4.351 40 0 IIABHM C[C@@H]1CN(c2nc3c(c(=O)[n-]2)CCN(Cc2cccc(Oc4ccccc4)c2)C3)C[C@H](C)O1 ZINC000072347275 556918365 /nfs/dbraw/zinc/91/83/65/556918365.db2.gz JMTHLIRYLROPIE-KDURUIRLSA-N -1 3 446.551 4.146 40 0 IIABHM COc1ccc(CC(=O)N2NC3=C(C[C@@H](C(C)(C)C)CC3)[C@]2([O-])C(F)(F)F)cc1OC ZINC000409093648 556949565 /nfs/dbraw/zinc/94/95/65/556949565.db2.gz BKZUMVBVUZCBCS-ZSDSOXJFSA-N -1 3 442.478 4.158 40 0 IIABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N[C@@H]1CCCc2ccccc21 ZINC000020019921 556964123 /nfs/dbraw/zinc/96/41/23/556964123.db2.gz PQTYUGCAQOEQPK-HSZRJFAPSA-N -1 3 436.533 4.060 40 0 IIABHM O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)Nc1ccc(Cl)cc1Cl ZINC000409149813 556974513 /nfs/dbraw/zinc/97/45/13/556974513.db2.gz ROYLGMOSOWBZAZ-UHFFFAOYSA-N -1 3 428.124 4.217 40 0 IIABHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1ccccc1C(F)(F)F ZINC000409389333 557100689 /nfs/dbraw/zinc/10/06/89/557100689.db2.gz HEZHVJNRIWNABU-VIFPVBQESA-N -1 3 441.258 4.318 40 0 IIABHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000409389573 557100706 /nfs/dbraw/zinc/10/07/06/557100706.db2.gz HMJNEGKFFPZZJN-SECBINFHSA-N -1 3 441.258 4.318 40 0 IIABHM COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(C)cc2C)c1 ZINC000101219291 557120728 /nfs/dbraw/zinc/12/07/28/557120728.db2.gz VFKCYELEJVTKDB-VXNXHJTFSA-N -1 3 428.488 4.363 40 0 IIABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2)cc1 ZINC000012485374 557245243 /nfs/dbraw/zinc/24/52/43/557245243.db2.gz SRCZNUXTFLUDDG-UHFFFAOYSA-N -1 3 446.912 4.167 40 0 IIABHM O=C([O-])c1ccccc1[C@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)C2ON1c1ccccc1 ZINC000102767727 557307845 /nfs/dbraw/zinc/30/78/45/557307845.db2.gz ZDTSWYWUPWCDBR-ACRUOGEOSA-N -1 3 448.862 4.089 40 0 IIABHM O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1C=C([O-])NC(Nc2cccc(C(F)(F)F)c2)=N1 ZINC000014607664 557447709 /nfs/dbraw/zinc/44/77/09/557447709.db2.gz BYWCCEWVPWFIQA-AWEZNQCLSA-N -1 3 444.335 4.019 40 0 IIABHM COc1ccc([C@H](C)NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)cc1 ZINC000223962103 557535057 /nfs/dbraw/zinc/53/50/57/557535057.db2.gz UCQZJLGOZCVVOL-HNNXBMFYSA-N -1 3 428.485 4.126 40 0 IIABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3cc(C)ccc3OC)ccc2C)cc1 ZINC000224059496 557553047 /nfs/dbraw/zinc/55/30/47/557553047.db2.gz FCWMACXQZVCQEA-UHFFFAOYSA-N -1 3 440.521 4.374 40 0 IIABHM COc1ccccc1/C=C/C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000224534143 557617545 /nfs/dbraw/zinc/61/75/45/557617545.db2.gz YYTRUNJPIJWJBD-XNTDXEJSSA-N -1 3 426.469 4.287 40 0 IIABHM Cc1cc(C)cc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)c1 ZINC000224544196 557619541 /nfs/dbraw/zinc/61/95/41/557619541.db2.gz ILKIFRDMLRWBDI-UHFFFAOYSA-N -1 3 428.485 4.261 40 0 IIABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)COc2ccccc2F)cc1 ZINC000224571519 557625298 /nfs/dbraw/zinc/62/52/98/557625298.db2.gz BGKZQQUMDVXYFS-UHFFFAOYSA-N -1 3 428.485 4.261 40 0 IIABHM O=S(=O)([N-]CC1=N[C@H](c2ccccc2)c2ccccc2-n2cccc21)c1cccs1 ZINC000225376543 557715797 /nfs/dbraw/zinc/71/57/97/557715797.db2.gz AFMCCHREEDHBME-HSZRJFAPSA-N -1 3 433.558 4.409 40 0 IIABHM CCOc1ccc(NC(=O)C(C)(C)[N-]S(=O)(=O)Cc2ccccc2F)c2ccccc12 ZINC000225922736 557792770 /nfs/dbraw/zinc/79/27/70/557792770.db2.gz KGJLJTRXGNRFJL-UHFFFAOYSA-N -1 3 444.528 4.214 40 0 IIABHM CC(C)(C)CNC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000226084967 557804991 /nfs/dbraw/zinc/80/49/91/557804991.db2.gz LGQWKDQCISMLCY-UHFFFAOYSA-N -1 3 444.475 4.047 40 0 IIABHM Cc1csc([N-]c2cncc(C3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)n2)n1 ZINC000257265978 568695710 /nfs/dbraw/zinc/69/57/10/568695710.db2.gz MBCCUJQNUJTQNL-UHFFFAOYSA-N -1 3 443.598 4.170 40 0 IIABHM Cc1cc(C)nc([N-]c2cncc(C3CCN(C(=O)C(C)(C)c4cccc(F)c4)CC3)n2)n1 ZINC000257287949 568705907 /nfs/dbraw/zinc/70/59/07/568705907.db2.gz PSEDFZQZNFEAAO-UHFFFAOYSA-N -1 3 448.546 4.450 40 0 IIABHM CC(=O)Cc1nsc([N-]C(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)n1 ZINC000003227427 569140080 /nfs/dbraw/zinc/14/00/80/569140080.db2.gz PIYUMSWNDYXBMR-UHFFFAOYSA-N -1 3 437.912 4.428 40 0 IIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3C)cc2)cc1 ZINC000033624410 569245085 /nfs/dbraw/zinc/24/50/85/569245085.db2.gz DHAQBZQFSOFGOW-UHFFFAOYSA-N -1 3 440.521 4.212 40 0 IIABHM Cc1cccc(NC(=O)CSc2nnc(-c3cc(Br)ccc3[O-])n2C)c1C ZINC000038188666 569248734 /nfs/dbraw/zinc/24/87/34/569248734.db2.gz XZZJSVJKXCLXCN-UHFFFAOYSA-N -1 3 447.358 4.298 40 0 IIABHM Cc1cc(C)c(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)cc2)c(C)c1 ZINC000036006999 524277325 /nfs/dbraw/zinc/27/73/25/524277325.db2.gz QDYNHOKMRBDKAV-QTJGBDASSA-N -1 3 428.488 4.369 40 0 IIABHM COc1ccccc1NC(=O)CSc1nnc(-c2ccccc2[O-])n1Cc1ccccc1 ZINC000001223727 555686024 /nfs/dbraw/zinc/68/60/24/555686024.db2.gz URXGIMBLAJFYPO-UHFFFAOYSA-N -1 3 446.532 4.438 40 0 IIABHM CCC[C@H](C)NC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408593141 555954846 /nfs/dbraw/zinc/95/48/46/555954846.db2.gz LPNQGFGMOUKMRJ-KSSFIOAISA-N -1 3 443.396 4.188 40 0 IIABHM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(O[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000408594737 555960777 /nfs/dbraw/zinc/96/07/77/555960777.db2.gz OWWSUEJMVASSDP-SFHVURJKSA-N -1 3 432.586 4.459 40 0 IIABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC2CCCCC2)cc1 ZINC000408595256 555961669 /nfs/dbraw/zinc/96/16/69/555961669.db2.gz UNSGATZZEVXUGV-SFHVURJKSA-N -1 3 430.570 4.320 40 0 IIABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1NC(=O)CC ZINC000408696868 556100815 /nfs/dbraw/zinc/10/08/15/556100815.db2.gz FLINLGNLDIWEKK-UHFFFAOYSA-N -1 3 445.310 4.136 40 0 IIABHM CCC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)ccc1OC ZINC000408697071 556100855 /nfs/dbraw/zinc/10/08/55/556100855.db2.gz HAVPPGRTECYHOZ-UHFFFAOYSA-N -1 3 440.521 4.424 40 0 IIABHM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)N2CCC(C)CC2)c1 ZINC000408703513 556108524 /nfs/dbraw/zinc/10/85/24/556108524.db2.gz TZWVNQKQCHPTDI-UHFFFAOYSA-N -1 3 430.570 4.239 40 0 IIABHM COc1ccc(S(=O)(=O)[N-]c2ccc3sc(C(=O)N4CCCCC4)cc3c2)cc1 ZINC000408713370 556130199 /nfs/dbraw/zinc/13/01/99/556130199.db2.gz VQENBCMZCOVVOC-UHFFFAOYSA-N -1 3 430.551 4.337 40 0 IIABHM COc1ccc2nc(NC(=S)[N-]C(=O)COc3cc(C)c(Cl)c(C)c3)sc2c1 ZINC000016269418 556596245 /nfs/dbraw/zinc/59/62/45/556596245.db2.gz PDRUJOOTEVHCCV-UHFFFAOYSA-N -1 3 435.958 4.467 40 0 IIABHM C[C@@H](CCc1ccccc1)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000016576353 556616166 /nfs/dbraw/zinc/61/61/66/556616166.db2.gz XGKQKBADBDKODZ-IBGZPJMESA-N -1 3 438.549 4.004 40 0 IIABHM C[C@H](CCc1ccccc1)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000016576354 556616236 /nfs/dbraw/zinc/61/62/36/556616236.db2.gz XGKQKBADBDKODZ-LJQANCHMSA-N -1 3 438.549 4.004 40 0 IIABHM COC(=O)c1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000044901338 556678060 /nfs/dbraw/zinc/67/80/60/556678060.db2.gz YXMJOHTXDXKEKF-UHFFFAOYSA-N -1 3 444.896 4.180 40 0 IIABHM Cc1ccc(O[C@@H](C)C(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[n-]3)CC2)c(C)c1 ZINC000019132673 556704675 /nfs/dbraw/zinc/70/46/75/556704675.db2.gz RSIYNAVQBOGHOF-INIZCTEOSA-N -1 3 438.553 4.096 40 0 IIABHM Cc1ccc2nc(C)c(C(=O)N3CCC[C@H]3c3nc4c(c(=O)[n-]3)CCN(C(C)C)C4)cc2c1 ZINC000019221142 556715376 /nfs/dbraw/zinc/71/53/76/556715376.db2.gz GIRGQYVMWNXUES-QHCPKHFHSA-N -1 3 445.567 4.091 40 0 IIABHM Cc1cccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)CN(Cc2cccs2)CC3)c1 ZINC000019234424 556718482 /nfs/dbraw/zinc/71/84/82/556718482.db2.gz SZLZEYSEEMKUDA-JOCHJYFZSA-N -1 3 448.592 4.066 40 0 IIABHM Cc1cccc(CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C(C)C)n2)c1 ZINC000019234828 556719445 /nfs/dbraw/zinc/71/94/45/556719445.db2.gz HPYISDLSCPBLPX-QFIPXVFZSA-N -1 3 428.536 4.326 40 0 IIABHM O=C([N-]c1nc2c(s1)CCCC2)c1cc(C2CCN(C(=O)C3CCCC3)CC2)no1 ZINC000019292203 556732133 /nfs/dbraw/zinc/73/21/33/556732133.db2.gz DZLACUXEAAHKJL-UHFFFAOYSA-N -1 3 428.558 4.158 40 0 IIABHM O=C(c1cccc(F)c1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCCC1)C2 ZINC000019293557 556733176 /nfs/dbraw/zinc/73/31/76/556733176.db2.gz SAYQDOLDFAOJKE-QFIPXVFZSA-N -1 3 438.547 4.380 40 0 IIABHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc(F)c2)cc1 ZINC000101192618 556758239 /nfs/dbraw/zinc/75/82/39/556758239.db2.gz GLVBQKOMRGPEFT-ZLNRFVROSA-N -1 3 432.451 4.276 40 0 IIABHM CCOCc1cc(CN2CCCC[C@@H]2c2cc(=O)[n-]c(-c3cccnc3)n2)ccc1OC ZINC000019531155 556791760 /nfs/dbraw/zinc/79/17/60/556791760.db2.gz QDRKEIAGVVNACZ-JOCHJYFZSA-N -1 3 434.540 4.104 40 0 IIABHM COc1cccc(CN2CCC(C[C@H]3CC(c4cccc(F)c4)=NO3)(C(=O)[O-])CC2)c1 ZINC000019564798 556805872 /nfs/dbraw/zinc/80/58/72/556805872.db2.gz BJGYKHACJXHAQI-OAQYLSRUSA-N -1 3 426.488 4.084 40 0 IIABHM COc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)c1OC ZINC000063304806 556820650 /nfs/dbraw/zinc/82/06/50/556820650.db2.gz SWLMVIRKRMYIII-UHFFFAOYSA-N -1 3 440.521 4.374 40 0 IIABHM C[C@H](NC(=O)Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O)c1cccc(Br)c1 ZINC000019937737 556951685 /nfs/dbraw/zinc/95/16/85/556951685.db2.gz OOOFYZQIDUWCAH-LBPRGKRZSA-N -1 3 446.732 4.273 40 0 IIABHM Cc1ccc(F)cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1C ZINC000020022360 556965580 /nfs/dbraw/zinc/96/55/80/556965580.db2.gz HQOHQKDWCCXVSK-UHFFFAOYSA-N -1 3 428.485 4.261 40 0 IIABHM O=C(CSc1nnc(-c2ccccc2[O-])n1-c1ccccc1)NCCc1ccccc1 ZINC000409380628 557095040 /nfs/dbraw/zinc/09/50/40/557095040.db2.gz ORCCLIDIGJGILZ-UHFFFAOYSA-N -1 3 430.533 4.091 40 0 IIABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)Nc1cccc(Cl)c1 ZINC000409387631 557099488 /nfs/dbraw/zinc/09/94/88/557099488.db2.gz ATBKTIUEXIFPCJ-UHFFFAOYSA-N -1 3 434.876 4.297 40 0 IIABHM CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1cc(Br)ccc1[O-] ZINC000409412208 557107321 /nfs/dbraw/zinc/10/73/21/557107321.db2.gz UCQXLTNLLDVDFU-UHFFFAOYSA-N -1 3 433.331 4.164 40 0 IIABHM CC(=O)Nc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)c1 ZINC000216362225 557144267 /nfs/dbraw/zinc/14/42/67/557144267.db2.gz CPKJDWLJXQGSNP-UHFFFAOYSA-N -1 3 443.912 4.352 40 0 IIABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)c3ccc(F)cc3)cc2)c1 ZINC000222688980 557374555 /nfs/dbraw/zinc/37/45/55/557374555.db2.gz DOEKIJBZLULKOL-UHFFFAOYSA-N -1 3 442.512 4.285 40 0 IIABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3cccc(C)c3)cc2)cc1 ZINC000013992462 557400673 /nfs/dbraw/zinc/40/06/73/557400673.db2.gz ROEZLVAZNFJYKW-QGZVFWFLSA-N -1 3 440.521 4.210 40 0 IIABHM O=S(=O)(Cc1ccc(Cl)c(Cl)c1)[N-]Cc1nc(-c2cccc(Cl)c2)no1 ZINC000223631266 557494233 /nfs/dbraw/zinc/49/42/33/557494233.db2.gz OCLVIGYKAXCPHI-UHFFFAOYSA-N -1 3 432.716 4.316 40 0 IIABHM Cc1ccccc1OC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000223963587 557535444 /nfs/dbraw/zinc/53/54/44/557535444.db2.gz UVCYMOSOPNSWMM-QGZVFWFLSA-N -1 3 442.512 4.132 40 0 IIABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3cccc(OC)c3)ccc2C)cc1 ZINC000224057690 557552951 /nfs/dbraw/zinc/55/29/51/557552951.db2.gz QPIUEVXSZZFBJX-UHFFFAOYSA-N -1 3 426.494 4.065 40 0 IIABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCCSC(C)(C)C)ccc2C)cc1 ZINC000224060056 557553229 /nfs/dbraw/zinc/55/32/29/557553229.db2.gz WNFFATAGMZAFBD-UHFFFAOYSA-N -1 3 436.599 4.066 40 0 IIABHM Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3ccccc3C)cc2)cc1C ZINC000224546254 557620093 /nfs/dbraw/zinc/62/00/93/557620093.db2.gz AUFQYJDJQMIHHG-UHFFFAOYSA-N -1 3 444.578 4.355 40 0 IIABHM O=S(=O)(Cc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000224545678 557620100 /nfs/dbraw/zinc/62/01/00/557620100.db2.gz ZJDVXIAIBNPNSU-UHFFFAOYSA-N -1 3 436.942 4.083 40 0 IIABHM O=S(=O)(Cc1ccccc1)[N-]c1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 ZINC000224545678 557620102 /nfs/dbraw/zinc/62/01/02/557620102.db2.gz ZJDVXIAIBNPNSU-UHFFFAOYSA-N -1 3 436.942 4.083 40 0 IIABHM Cc1ccc(CS(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)cc1 ZINC000224547896 557620650 /nfs/dbraw/zinc/62/06/50/557620650.db2.gz PXFBNQJTVPDSNV-UHFFFAOYSA-N -1 3 444.578 4.355 40 0 IIABHM [O-]c1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1Cc1cccnc1 ZINC000224597320 557629297 /nfs/dbraw/zinc/62/92/97/557629297.db2.gz KDPASROWMDZRFU-DHIUTWEWSA-N -1 3 427.533 4.209 40 0 IIABHM CC1(C)Oc2ccccc2[C@H]2O[C@H]3CCN(Cc4ccc(OCC(=O)[O-])cc4)C[C@@H]3C[C@@H]21 ZINC000585262327 568616462 /nfs/dbraw/zinc/61/64/62/568616462.db2.gz BRPDCKBXIVNZML-OPQSODGTSA-N -1 3 437.536 4.289 40 0 IIABHM CCOCc1ccc(C(=O)N2CCC(c3cncc([N-]c4nc(C)cc(C)n4)n3)CC2)cc1 ZINC000257238742 568683046 /nfs/dbraw/zinc/68/30/46/568683046.db2.gz HMJAKMUWVXPBCB-UHFFFAOYSA-N -1 3 446.555 4.183 40 0 IIABHM Cc1cc(NC(=S)NC(=O)c2ccccc2Br)cc(Br)c1[O-] ZINC000226243666 569177817 /nfs/dbraw/zinc/17/78/17/569177817.db2.gz ZULFVGAZHDEJKS-UHFFFAOYSA-N -1 3 444.148 4.352 40 0 IIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)cc1 ZINC000107889600 569251629 /nfs/dbraw/zinc/25/16/29/569251629.db2.gz IOZBHWOYILPCPL-UHFFFAOYSA-N -1 3 440.521 4.212 40 0 IIABHM CCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000107961974 569251949 /nfs/dbraw/zinc/25/19/49/569251949.db2.gz AULPDFFEWNQXDD-UHFFFAOYSA-N -1 3 440.521 4.212 40 0 IIABHM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1C ZINC000108029522 569252217 /nfs/dbraw/zinc/25/22/17/569252217.db2.gz BDGGEMCYMWKFIK-UHFFFAOYSA-N -1 3 427.478 4.140 40 0 IIABHM CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000108981209 569253316 /nfs/dbraw/zinc/25/33/16/569253316.db2.gz NUCOAEAPTGUOAX-CQSZACIVSA-N -1 3 444.475 4.190 40 0 IIABHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc(OC)c2)cc1 ZINC000009075456 569293570 /nfs/dbraw/zinc/29/35/70/569293570.db2.gz MSOIFKSYWYSVLK-VXNXHJTFSA-N -1 3 444.487 4.145 40 0 IIABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccc(F)cc3)cc2)c1 ZINC000022536903 524692181 /nfs/dbraw/zinc/69/21/81/524692181.db2.gz MZDZVQNXMKWXBH-QGZVFWFLSA-N -1 3 442.512 4.191 40 0 IIABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccc(F)cc3)cc2)c1 ZINC000022536906 524692542 /nfs/dbraw/zinc/69/25/42/524692542.db2.gz MZDZVQNXMKWXBH-KRWDZBQOSA-N -1 3 442.512 4.191 40 0 IIABHM COc1ccc([C@H]2N(c3ccccc3)OC3=C([O-])N(c4ccc(F)cc4)C(=O)[C@]32C)cc1 ZINC000036037782 525428411 /nfs/dbraw/zinc/42/84/11/525428411.db2.gz NMDGAVCPYORKSW-RQTOMXEWSA-N -1 3 432.451 4.276 40 0 IIABHM COc1ccc2[nH]c(C)c(CC[N-]S(=O)(=O)c3cc(Cl)c(OC)cc3Cl)c2c1 ZINC000041105570 525481327 /nfs/dbraw/zinc/48/13/27/525481327.db2.gz QTZOHKKKOIKTNF-UHFFFAOYSA-N -1 3 443.352 4.321 40 0 IIABHM Cc1cccc(C)c1NC(=O)CSc1nc(-c2cc(Br)ccc2[O-])n[nH]1 ZINC000408543440 555790754 /nfs/dbraw/zinc/79/07/54/555790754.db2.gz PBIDRADISVBWLB-UHFFFAOYSA-N -1 3 433.331 4.287 40 0 IIABHM Cc1cccc(C)c1NC(=O)CSc1n[nH]c(-c2cc(Br)ccc2[O-])n1 ZINC000408543440 555790756 /nfs/dbraw/zinc/79/07/56/555790756.db2.gz PBIDRADISVBWLB-UHFFFAOYSA-N -1 3 433.331 4.287 40 0 IIABHM CCCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000408550911 555852864 /nfs/dbraw/zinc/85/28/64/555852864.db2.gz GFVJFNOENVHNIV-UHFFFAOYSA-N -1 3 444.475 4.191 40 0 IIABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)cc1NC(C)=O ZINC000408558618 555898048 /nfs/dbraw/zinc/89/80/48/555898048.db2.gz JUYSFBGJSDFWLK-UHFFFAOYSA-N -1 3 440.521 4.424 40 0 IIABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)N1CCC(C)CC1 ZINC000408676961 556070029 /nfs/dbraw/zinc/07/00/29/556070029.db2.gz PCAIYNZFSCDMHI-UHFFFAOYSA-N -1 3 436.961 4.087 40 0 IIABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3C)c(C)c2)cc1 ZINC000408678613 556076399 /nfs/dbraw/zinc/07/63/99/556076399.db2.gz TZJKJCSIENNEDV-UHFFFAOYSA-N -1 3 440.521 4.130 40 0 IIABHM COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1C(=O)N1CCCCC1 ZINC000408693009 556092797 /nfs/dbraw/zinc/09/27/97/556092797.db2.gz AZMNPLJJRYDTOR-UHFFFAOYSA-N -1 3 443.352 4.429 40 0 IIABHM Cc1ccc(SCCNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)cc1 ZINC000014803931 556446991 /nfs/dbraw/zinc/44/69/91/556446991.db2.gz XFZSZSRLVGURCL-UHFFFAOYSA-N -1 3 444.553 4.457 40 0 IIABHM Cc1ccc([C@@H](C)C(=O)N2CC[C@@H](c3nc4c(c(=O)[n-]3)CCN(C3CCCCC3)C4)C2)cc1 ZINC000019135710 556706134 /nfs/dbraw/zinc/70/61/34/556706134.db2.gz CIMBPVAKFYYFRJ-TZIWHRDSSA-N -1 3 448.611 4.301 40 0 IIABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)cc2)cc1Cl ZINC000013658746 556708108 /nfs/dbraw/zinc/70/81/08/556708108.db2.gz KIOTYXJJIYNXKL-FSSWDIPSSA-N -1 3 434.879 4.405 40 0 IIABHM Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)cc(=O)[n-]1 ZINC000019214208 556711047 /nfs/dbraw/zinc/71/10/47/556711047.db2.gz XXXBYWQSZFOXCQ-GAJHUEQPSA-N -1 3 444.535 4.044 40 0 IIABHM O=C(Cc1ccccc1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1cccs1)C2 ZINC000019370225 556747675 /nfs/dbraw/zinc/74/76/75/556747675.db2.gz JXDSIQMYQWZVBB-JOCHJYFZSA-N -1 3 448.592 4.098 40 0 IIABHM CC(C)c1cc(C(=O)NCc2ccc(-c3n[n-]cc3C(=O)N(C)c3ccccc3)cc2)on1 ZINC000019453059 556763856 /nfs/dbraw/zinc/76/38/56/556763856.db2.gz SNHSHQWMJIFGCV-UHFFFAOYSA-N -1 3 443.507 4.395 40 0 IIABHM CCn1cc(CC(=O)N[C@@H](Cc2cc(=O)[n-]c(C)n2)c2ccc(Cl)cc2)c2ccccc21 ZINC000019524789 556782140 /nfs/dbraw/zinc/78/21/40/556782140.db2.gz RYSVXSWQKPGPEE-QFIPXVFZSA-N -1 3 448.954 4.349 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(F)ccc3F)cc2)cc1C ZINC000020020022 556964087 /nfs/dbraw/zinc/96/40/87/556964087.db2.gz HUNLEJYUEXQZCX-UHFFFAOYSA-N -1 3 446.475 4.400 40 0 IIABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)Nc1ccc(F)c(F)c1 ZINC000020022358 556965541 /nfs/dbraw/zinc/96/55/41/556965541.db2.gz DSLQRLDZEAQNQZ-UHFFFAOYSA-N -1 3 432.448 4.092 40 0 IIABHM O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)Nc1ccc(Cl)c(Cl)c1 ZINC000409145360 556976773 /nfs/dbraw/zinc/97/67/73/556976773.db2.gz NYNXKWPHROBHCK-UHFFFAOYSA-N -1 3 428.124 4.217 40 0 IIABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)Nc1cccc(F)c1 ZINC000409388947 557100425 /nfs/dbraw/zinc/10/04/25/557100425.db2.gz FTBLLWFWYQPNQI-UHFFFAOYSA-N -1 3 434.876 4.297 40 0 IIABHM CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1cc(Br)ccc1[O-] ZINC000409411172 557104184 /nfs/dbraw/zinc/10/41/84/557104184.db2.gz FBPHZJOARYFPBE-UHFFFAOYSA-N -1 3 447.358 4.472 40 0 IIABHM Cc1cccc(CN2CCCC[C@H]2c2cc3nc4c(c(=O)n3[n-]2)CN(C(=O)C(C)C)CC4)c1 ZINC000100243195 557255432 /nfs/dbraw/zinc/25/54/32/557255432.db2.gz HGBCZOOFJQCFJY-QHCPKHFHSA-N -1 3 447.583 4.011 40 0 IIABHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000014396593 557435319 /nfs/dbraw/zinc/43/53/19/557435319.db2.gz RBFLDHLVSXDJGU-UHFFFAOYSA-N -1 3 446.569 4.155 40 0 IIABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(F)cc3)cc2)cc1 ZINC000014398432 557436297 /nfs/dbraw/zinc/43/62/97/557436297.db2.gz WHSLYTITJMWIND-HNNXBMFYSA-N -1 3 444.484 4.041 40 0 IIABHM CC[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2cccc(C)c2)s1)c1ccc(C)cc1C ZINC000223227989 557448758 /nfs/dbraw/zinc/44/87/58/557448758.db2.gz UVJNEVJCIUPRKY-SFHVURJKSA-N -1 3 444.582 4.145 40 0 IIABHM COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102196368 557458065 /nfs/dbraw/zinc/45/80/65/557458065.db2.gz OJWSVBCPLATMAB-BHIFYINESA-N -1 3 434.879 4.400 40 0 IIABHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccc(Oc3ccccc3)c2)c1 ZINC000223901588 557526995 /nfs/dbraw/zinc/52/69/95/557526995.db2.gz RYFOBGYWKSBADT-UHFFFAOYSA-N -1 3 431.897 4.397 40 0 IIABHM CC(C)Oc1ccc(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)cc1 ZINC000223961832 557535111 /nfs/dbraw/zinc/53/51/11/557535111.db2.gz NNMMLBAZDKJVMM-UHFFFAOYSA-N -1 3 442.512 4.344 40 0 IIABHM Cc1ccc(CS(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1 ZINC000224548383 557620717 /nfs/dbraw/zinc/62/07/17/557620717.db2.gz MZQYCPPAKKLPKD-UHFFFAOYSA-N -1 3 430.551 4.046 40 0 IIABHM [O-]c1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1Cc1cccnc1 ZINC000224597225 557629335 /nfs/dbraw/zinc/62/93/35/557629335.db2.gz KDPASROWMDZRFU-PKTZIBPZSA-N -1 3 427.533 4.209 40 0 IIABHM Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])n1-c1cccnc1 ZINC000224597683 557629346 /nfs/dbraw/zinc/62/93/46/557629346.db2.gz BWTYXIZXCDNLKJ-XZOQPEGZSA-N -1 3 427.533 4.458 40 0 IIABHM CC1(C)Oc2ccccc2[C@H]2O[C@H]3CCN(Cc4ccc(OCC(=O)[O-])cc4)C[C@H]3C[C@@H]21 ZINC000257209709 568669831 /nfs/dbraw/zinc/66/98/31/568669831.db2.gz BRPDCKBXIVNZML-RSPLEMODSA-N -1 3 437.536 4.289 40 0 IIABHM CS(=O)(=O)c1cn[n-]c1C[C@H]1CCCN(Cc2ccccc2-c2ccccc2F)C1 ZINC000257266863 568696195 /nfs/dbraw/zinc/69/61/95/568696195.db2.gz MEWRNPBFAJQDLQ-QGZVFWFLSA-N -1 3 427.545 4.074 40 0 IIABHM CS(=O)(=O)c1c[n-]nc1C[C@H]1CCCN(Cc2ccccc2-c2ccccc2F)C1 ZINC000257266863 568696196 /nfs/dbraw/zinc/69/61/96/568696196.db2.gz MEWRNPBFAJQDLQ-QGZVFWFLSA-N -1 3 427.545 4.074 40 0 IIABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3c(F)cccc3F)cc2)c1 ZINC000033787757 569246863 /nfs/dbraw/zinc/24/68/63/569246863.db2.gz CGJASOCWOWIUQN-UHFFFAOYSA-N -1 3 446.475 4.400 40 0 IIABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(C)ccc3C)cc2)cc1 ZINC000109030066 569253385 /nfs/dbraw/zinc/25/33/85/569253385.db2.gz RNEGOFGWQQMAAC-UHFFFAOYSA-N -1 3 440.521 4.130 40 0 IIABHM COc1ccc([C@H]2N(c3ccccc3)OC3=C([O-])N(c4ccc(OC)cc4)C(=O)[C@@]32C)cc1 ZINC000009109899 569293854 /nfs/dbraw/zinc/29/38/54/569293854.db2.gz ACHWGWKDDQUFBY-JQYIIUTOSA-N -1 3 444.487 4.145 40 0 IIABHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@H]3c2ccccc2)cc1 ZINC000012017433 569303502 /nfs/dbraw/zinc/30/35/02/569303502.db2.gz WMUKCJWSARQGPN-FSSWDIPSSA-N -1 3 434.879 4.400 40 0 IIABHM CCc1ccc(OCC(=O)[N-]C(=S)Nc2nc(-c3ccc(OC)cc3)cs2)cc1 ZINC000033608196 569584831 /nfs/dbraw/zinc/58/48/31/569584831.db2.gz WZVVTBSYDZMLGY-UHFFFAOYSA-N -1 3 427.551 4.273 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3F)c(C)c2)cc1 ZINC000034855873 555510320 /nfs/dbraw/zinc/51/03/20/555510320.db2.gz XBTYPZIQTJWLSE-UHFFFAOYSA-N -1 3 428.485 4.261 40 0 IIABHM CC(C)(C)c1ccc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccc(F)cc2)cc1 ZINC000001464506 555700873 /nfs/dbraw/zinc/70/08/73/555700873.db2.gz APDVGRBZNXOVEU-CBGDNZLLSA-N -1 3 438.421 4.227 40 0 IIABHM COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1NC(=O)c1ccccc1F ZINC000408555849 555893009 /nfs/dbraw/zinc/89/30/09/555893009.db2.gz GZXWQOGZOMSVEV-UHFFFAOYSA-N -1 3 436.411 4.166 40 0 IIABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1NC(=O)c1ccccc1 ZINC000408558490 555897819 /nfs/dbraw/zinc/89/78/19/555897819.db2.gz JJGFKRXOARRFPY-UHFFFAOYSA-N -1 3 432.448 4.417 40 0 IIABHM CCn1c(=O)c2c(nc1SCC(=O)Nc1cc(Cl)ccc1[O-])sc1c2CCCC1 ZINC000408599419 555957999 /nfs/dbraw/zinc/95/79/99/555957999.db2.gz HBMVRQVBBYHOAD-UHFFFAOYSA-N -1 3 449.985 4.447 40 0 IIABHM Cc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C ZINC000408675633 556068146 /nfs/dbraw/zinc/06/81/46/556068146.db2.gz JZMXIDAYZAEGNT-UHFFFAOYSA-N -1 3 428.485 4.261 40 0 IIABHM COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000408679504 556074241 /nfs/dbraw/zinc/07/42/41/556074241.db2.gz MUCOBKVJWQNPFH-HNNXBMFYSA-N -1 3 444.484 4.041 40 0 IIABHM COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1C(=O)N1CCCC1 ZINC000408693132 556093091 /nfs/dbraw/zinc/09/30/91/556093091.db2.gz IWFCRJRRVXFLNW-UHFFFAOYSA-N -1 3 429.325 4.039 40 0 IIABHM O=C(CCCOc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000408705642 556111905 /nfs/dbraw/zinc/11/19/05/556111905.db2.gz KIXORMVJUJCKOM-UHFFFAOYSA-N -1 3 428.485 4.424 40 0 IIABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccccc3C)cc2)cc1 ZINC000013993588 556353123 /nfs/dbraw/zinc/35/31/23/556353123.db2.gz WOHCSDNFSWGBGV-QGZVFWFLSA-N -1 3 440.521 4.210 40 0 IIABHM CCCCC(=O)Nc1ccc(NC([S-])=NC(=O)C(Cl)(Cl)Cl)cc1OC ZINC000032115396 556531468 /nfs/dbraw/zinc/53/14/68/556531468.db2.gz NRYBTFJEQVYXLD-UHFFFAOYSA-N -1 3 426.753 4.007 40 0 IIABHM CCCCC(=O)Nc1ccc(NC(=S)[N-]C(=O)C(Cl)(Cl)Cl)cc1OC ZINC000032115396 556531471 /nfs/dbraw/zinc/53/14/71/556531471.db2.gz NRYBTFJEQVYXLD-UHFFFAOYSA-N -1 3 426.753 4.007 40 0 IIABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)cc2)cc1Cl ZINC000100901551 556599880 /nfs/dbraw/zinc/59/98/80/556599880.db2.gz KIOTYXJJIYNXKL-VSKRKVRLSA-N -1 3 434.879 4.405 40 0 IIABHM CCc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc(OC)c2)cc1 ZINC000100932882 556611661 /nfs/dbraw/zinc/61/16/61/556611661.db2.gz ZOJIDIFKCOZITF-SGNDLWITSA-N -1 3 428.488 4.309 40 0 IIABHM CCc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)c(OC)c2)cc1 ZINC000100984736 556633923 /nfs/dbraw/zinc/63/39/23/556633923.db2.gz UNADECRQZGYGGY-SMIHKQSGSA-N -1 3 444.487 4.014 40 0 IIABHM Cc1nn2c(ncc3c(=O)n([N-]C(=O)c4ccccc4Cl)ccc32)c1-c1ccc(F)cc1 ZINC000040397002 556639195 /nfs/dbraw/zinc/63/91/95/556639195.db2.gz JEPZWUQQRNXZHC-UHFFFAOYSA-N -1 3 447.857 4.196 40 0 IIABHM CSCC[C@@H](NC(=O)c1oc2ccc(C)cc2c1C)c1cc(=O)[n-]c(-c2cccnc2)n1 ZINC000019220442 556715130 /nfs/dbraw/zinc/71/51/30/556715130.db2.gz DSYBMGQJINIPPA-GOSISDBHSA-N -1 3 448.548 4.419 40 0 IIABHM O=C(Cc1ccsc1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(CC1CCCCC1)C2 ZINC000019406432 556755008 /nfs/dbraw/zinc/75/50/08/556755008.db2.gz ZLBRRLXCIJPWHC-OAQYLSRUSA-N -1 3 440.613 4.088 40 0 IIABHM Cc1ccc(-n2c(SCC(=O)Nc3cccc(O)c3)nnc2-c2ccccc2[O-])cc1 ZINC000001223783 556768858 /nfs/dbraw/zinc/76/88/58/556768858.db2.gz XELBEXCYUZLQTF-UHFFFAOYSA-N -1 3 432.505 4.385 40 0 IIABHM C[C@@H]1CCc2nc([N-]C(=O)c3cc(C4CCN(C(=O)C5CCCC5)CC4)no3)sc2C1 ZINC000019497193 556769650 /nfs/dbraw/zinc/76/96/50/556769650.db2.gz BKHGFONBXWUVSS-CQSZACIVSA-N -1 3 442.585 4.404 40 0 IIABHM C[C@H]1CCc2nc([N-]C(=O)c3cc(C4CCN(C(=O)C5CCCC5)CC4)no3)sc2C1 ZINC000019497194 556769720 /nfs/dbraw/zinc/76/97/20/556769720.db2.gz BKHGFONBXWUVSS-AWEZNQCLSA-N -1 3 442.585 4.404 40 0 IIABHM COc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc(Br)c1[O-] ZINC000409006519 556916269 /nfs/dbraw/zinc/91/62/69/556916269.db2.gz KETUZZRLENUSLP-WJDWOHSUSA-N -1 3 434.311 4.442 40 0 IIABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(F)c3)cc2)c1 ZINC000020020177 556964584 /nfs/dbraw/zinc/96/45/84/556964584.db2.gz WWLLPTNKIJIBSP-UHFFFAOYSA-N -1 3 446.475 4.400 40 0 IIABHM COc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)c1 ZINC000409183099 556990253 /nfs/dbraw/zinc/99/02/53/556990253.db2.gz REUBECFAJSRNIA-UHFFFAOYSA-N -1 3 440.521 4.374 40 0 IIABHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000409391336 557096100 /nfs/dbraw/zinc/09/61/00/557096100.db2.gz NFSAONGLTGMNFY-MRVPVSSYSA-N -1 3 425.696 4.091 40 0 IIABHM CCCN1CCN(C(=O)c2ccc([O-])cc2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000585183653 557139589 /nfs/dbraw/zinc/13/95/89/557139589.db2.gz ZLHPEPFAWGEMEU-HSZRJFAPSA-N -1 3 443.547 4.008 40 0 IIABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(Br)c(Cl)c2)cc1Cl ZINC000216319124 557143129 /nfs/dbraw/zinc/14/31/29/557143129.db2.gz DIWVQETZFWVVPX-UHFFFAOYSA-N -1 3 438.130 4.380 40 0 IIABHM CC[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2cccc(C)c2)s1)c1ccc(C)cc1C ZINC000223227943 557448727 /nfs/dbraw/zinc/44/87/27/557448727.db2.gz UVJNEVJCIUPRKY-GOSISDBHSA-N -1 3 444.582 4.145 40 0 IIABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)ccc1OCC(=O)N(C)C ZINC000223246279 557450796 /nfs/dbraw/zinc/45/07/96/557450796.db2.gz NBUSHLFOBYIVNF-UHFFFAOYSA-N -1 3 440.521 4.055 40 0 IIABHM COc1ccc(S(=O)(=O)[N-]Cc2nc(-c3cccc(Cl)c3)no2)c(Cl)c1Cl ZINC000223577080 557487966 /nfs/dbraw/zinc/48/79/66/557487966.db2.gz BNRFGCZPZPJFQC-UHFFFAOYSA-N -1 3 448.715 4.184 40 0 IIABHM COc1ccc(S(=O)(=O)[N-]Cc2nc(-c3ccccc3Cl)no2)c(Cl)c1Cl ZINC000223758055 557509932 /nfs/dbraw/zinc/50/99/32/557509932.db2.gz KXZDARBKAOOPLP-UHFFFAOYSA-N -1 3 448.715 4.184 40 0 IIABHM O=C(NCCCc1ccc(F)cc1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000223963192 557535327 /nfs/dbraw/zinc/53/53/27/557535327.db2.gz OVBVPGKMDSRRII-UHFFFAOYSA-N -1 3 430.476 4.128 40 0 IIABHM O=C(NCCc1ccc(F)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000224408164 557602943 /nfs/dbraw/zinc/60/29/43/557602943.db2.gz NTQKPCHXDMRDQL-UHFFFAOYSA-N -1 3 432.904 4.252 40 0 IIABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCOc3ccccc3)cc2Cl)cc1 ZINC000224409622 557603196 /nfs/dbraw/zinc/60/31/96/557603196.db2.gz XIVYROAMBGZRPF-UHFFFAOYSA-N -1 3 444.940 4.258 40 0 IIABHM O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000224529734 557617108 /nfs/dbraw/zinc/61/71/08/557617108.db2.gz LUTNTCJCYODPAL-WUXMJOGZSA-N -1 3 440.452 4.007 40 0 IIABHM Cc1cccc(CS(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)c1 ZINC000224547196 557620513 /nfs/dbraw/zinc/62/05/13/557620513.db2.gz HILKILRNIQWVJP-UHFFFAOYSA-N -1 3 444.578 4.355 40 0 IIABHM Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3ccc(F)cc3)cc2)c(C)c1 ZINC000224549985 557621164 /nfs/dbraw/zinc/62/11/64/557621164.db2.gz WWMMLVDZIMGZOE-UHFFFAOYSA-N -1 3 448.541 4.185 40 0 IIABHM O=C(COc1ccc(F)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000224572879 557625508 /nfs/dbraw/zinc/62/55/08/557625508.db2.gz WOFKLMPRXCYNFE-UHFFFAOYSA-N -1 3 434.876 4.297 40 0 IIABHM CCOc1cc2c(cc1CN1CCC(c3cncc([N-]c4ncccn4)n3)CC1)O[C@@H](C)C2 ZINC000257212443 568671082 /nfs/dbraw/zinc/67/10/82/568671082.db2.gz CDKWJHNKCGXHSY-KRWDZBQOSA-N -1 3 446.555 4.112 40 0 IIABHM O=C([O-])CN(Cc1ccc(Br)cc1F)C1CCN(c2cccc(F)c2)CC1 ZINC000257230112 568679182 /nfs/dbraw/zinc/67/91/82/568679182.db2.gz GAWHAYWNCDRPID-UHFFFAOYSA-N -1 3 439.300 4.283 40 0 IIABHM Cc1ccsc1CN1CCc2nc([C@@H]3CCCN3C(=O)C[C@@H]3C=CCC3)[n-]c(=O)c2C1 ZINC000253599412 569209032 /nfs/dbraw/zinc/20/90/32/569209032.db2.gz PMNWPCUMKYGKHY-XLIONFOSSA-N -1 3 438.597 4.130 40 0 IIABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 ZINC000033559524 569244570 /nfs/dbraw/zinc/24/45/70/569244570.db2.gz WGELFHLVZVTENV-UHFFFAOYSA-N -1 3 430.913 4.467 40 0 IIABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)cc3F)cc2)c1 ZINC000107873351 569251462 /nfs/dbraw/zinc/25/14/62/569251462.db2.gz PDAMYODHOQOFHQ-UHFFFAOYSA-N -1 3 446.475 4.400 40 0 IIABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)NCc2ccccc2Cl)cc1 ZINC000108138205 569252534 /nfs/dbraw/zinc/25/25/34/569252534.db2.gz CQNSWFDEHHYOGD-UHFFFAOYSA-N -1 3 444.940 4.144 40 0 IIABHM Cc1ccc(CNC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)cc1 ZINC000108993240 569253436 /nfs/dbraw/zinc/25/34/36/569253436.db2.gz SGAPIJNLBRMDMO-UHFFFAOYSA-N -1 3 438.549 4.108 40 0 IIABHM O=C(COc1ccccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000012492462 526990349 /nfs/dbraw/zinc/99/03/49/526990349.db2.gz FAFXFQLTUSYTEU-UHFFFAOYSA-N -1 3 434.876 4.297 40 0 IIABHM COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@@H]3c2cccs2)c1 ZINC000004111169 555963437 /nfs/dbraw/zinc/96/34/37/555963437.db2.gz ZAYSVDYPHSILKN-AQNXPRMDSA-N -1 3 440.908 4.461 40 0 IIABHM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(O[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000408597409 555965026 /nfs/dbraw/zinc/96/50/26/555965026.db2.gz VFRYWVNDMCOVIT-KRWDZBQOSA-N -1 3 432.586 4.152 40 0 IIABHM CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1 ZINC000408604157 555973685 /nfs/dbraw/zinc/97/36/85/555973685.db2.gz LEALKLXKTQLIIX-AWEZNQCLSA-N -1 3 444.475 4.046 40 0 IIABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(C)c3)c(C)c2)cc1 ZINC000408674654 556065778 /nfs/dbraw/zinc/06/57/78/556065778.db2.gz AYSGXBAZIYACRQ-UHFFFAOYSA-N -1 3 440.521 4.130 40 0 IIABHM CC(=O)c1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2C)c1 ZINC000408680020 556074559 /nfs/dbraw/zinc/07/45/59/556074559.db2.gz XUKKJSLMKKDVAU-UHFFFAOYSA-N -1 3 438.505 4.016 40 0 IIABHM CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)[N-]c3c(F)cccc3F)c2)CC1 ZINC000408703612 556108473 /nfs/dbraw/zinc/10/84/73/556108473.db2.gz UQPJAPWAUGRCGX-UHFFFAOYSA-N -1 3 428.888 4.291 40 0 IIABHM Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1 ZINC000408705348 556113465 /nfs/dbraw/zinc/11/34/65/556113465.db2.gz CTOCVJLWPQMGOD-MRXNPFEDSA-N -1 3 428.485 4.341 40 0 IIABHM CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(Br)c([O-])c(OC)c3)S2)cc1 ZINC000016161823 556586306 /nfs/dbraw/zinc/58/63/06/556586306.db2.gz IJZSWRNBKBXMMI-LZOLKVDOSA-N -1 3 435.343 4.325 40 0 IIABHM Cc1ccc(O[C@H](C)C(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[n-]3)CC2)c(C)c1 ZINC000019132669 556704679 /nfs/dbraw/zinc/70/46/79/556704679.db2.gz RSIYNAVQBOGHOF-MRXNPFEDSA-N -1 3 438.553 4.096 40 0 IIABHM Cc1ccc([C@H](C)C(=O)N2CC[C@H](c3nc4c(c(=O)[n-]3)CCN(C3CCCCC3)C4)C2)cc1 ZINC000019135722 556706243 /nfs/dbraw/zinc/70/62/43/556706243.db2.gz CIMBPVAKFYYFRJ-FPOVZHCZSA-N -1 3 448.611 4.301 40 0 IIABHM COc1cccc([C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000013648402 556707413 /nfs/dbraw/zinc/70/74/13/556707413.db2.gz FSPQQKSLNXBBCG-FSSWDIPSSA-N -1 3 434.879 4.400 40 0 IIABHM Cc1ccccc1CC(=O)N[C@H](Cc1c[nH]c2ccccc12)c1cc(=O)[n-]c(C(C)C)n1 ZINC000019237097 556722089 /nfs/dbraw/zinc/72/20/89/556722089.db2.gz ACVHWQMNYMQEMK-JOCHJYFZSA-N -1 3 428.536 4.326 40 0 IIABHM O=C(c1ccc(F)c(F)c1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCC1)C2 ZINC000019292801 556732047 /nfs/dbraw/zinc/73/20/47/556732047.db2.gz AWKSFCUWYRBYJJ-NRFANRHFSA-N -1 3 442.510 4.129 40 0 IIABHM CCOC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000060524961 556808069 /nfs/dbraw/zinc/80/80/69/556808069.db2.gz SZTDMGAEIMBTAO-UHFFFAOYSA-N -1 3 442.468 4.056 40 0 IIABHM Cc1[nH]c2cc(C)cc(C)c2c1CC(=O)N[C@@H](Cc1cc(=O)[n-]c(C)n1)c1ccc(F)cc1 ZINC000019568017 556808193 /nfs/dbraw/zinc/80/81/93/556808193.db2.gz AKLJRCQNIGWZHC-QFIPXVFZSA-N -1 3 446.526 4.267 40 0 IIABHM COc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2cc(Cl)c([O-])c(OC)c2)S1 ZINC000408800804 556858273 /nfs/dbraw/zinc/85/82/73/556858273.db2.gz PMQIBJUUUCLLQL-UHFFFAOYSA-N -1 3 426.301 4.479 40 0 IIABHM CCCCCN1C(=O)S/C(=C\c2cc(I)c([O-])c(OC)c2)C1=O ZINC000409212847 557007286 /nfs/dbraw/zinc/00/72/86/557007286.db2.gz RLUWNNAMJGWGTN-LCYFTJDESA-N -1 3 447.294 4.232 40 0 IIABHM Cc1ccc(CNC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2C)cc1 ZINC000409381085 557090853 /nfs/dbraw/zinc/09/08/53/557090853.db2.gz RPJYGPUKHMUYJX-UHFFFAOYSA-N -1 3 438.549 4.108 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(F)c3)cc2)cc1C ZINC000409383032 557091519 /nfs/dbraw/zinc/09/15/19/557091519.db2.gz SYHPFMJJRYMISS-UHFFFAOYSA-N -1 3 428.485 4.261 40 0 IIABHM Cc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1C ZINC000409390902 557095807 /nfs/dbraw/zinc/09/58/07/557095807.db2.gz MDRKRHNXRUKIIY-UHFFFAOYSA-N -1 3 428.485 4.261 40 0 IIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(F)c3)cc2)cc1 ZINC000409387524 557099429 /nfs/dbraw/zinc/09/94/29/557099429.db2.gz ALUBHMBZHGTLSY-UHFFFAOYSA-N -1 3 444.484 4.043 40 0 IIABHM Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1C ZINC000409390174 557101439 /nfs/dbraw/zinc/10/14/39/557101439.db2.gz JWLODFFZQCZMEB-UHFFFAOYSA-N -1 3 428.485 4.261 40 0 IIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1 ZINC000020765727 557127559 /nfs/dbraw/zinc/12/75/59/557127559.db2.gz OJFSVTINPDSFQZ-UHFFFAOYSA-N -1 3 436.533 4.479 40 0 IIABHM CC(C)CN1C(=O)C2(C[C@H]1Cc1ccccc1)CCN(Cc1cccc(C(=O)[O-])c1)CC2 ZINC000585183201 557138866 /nfs/dbraw/zinc/13/88/66/557138866.db2.gz SCYBXVUZPWSVKX-XMMPIXPASA-N -1 3 434.580 4.467 40 0 IIABHM Cc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc5c(c4)OCO5)ccc3[O-])nc2c1 ZINC000010003467 557200221 /nfs/dbraw/zinc/20/02/21/557200221.db2.gz CUAOHOBDIYXJBC-UHFFFAOYSA-N -1 3 447.472 4.364 40 0 IIABHM COc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC000014399543 557436734 /nfs/dbraw/zinc/43/67/34/557436734.db2.gz OFWKTJVCRAPWPC-OAHLLOKOSA-N -1 3 444.484 4.041 40 0 IIABHM CC(C)c1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc4c(c3)CCC(C)(C)O4)n2)cc1 ZINC000223603314 557490803 /nfs/dbraw/zinc/49/08/03/557490803.db2.gz DRFNGPGHCHORNE-UHFFFAOYSA-N -1 3 441.553 4.442 40 0 IIABHM CCOc1ccc(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(OC)cc3)c2)cc1 ZINC000224057917 557553078 /nfs/dbraw/zinc/55/30/78/557553078.db2.gz NOEDPKPTIRNLJW-UHFFFAOYSA-N -1 3 440.521 4.455 40 0 IIABHM CC[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1)c1ccc(C)cc1C ZINC000224395085 557601337 /nfs/dbraw/zinc/60/13/37/557601337.db2.gz ZZNKGLPOGAWLLT-SFHVURJKSA-N -1 3 444.582 4.145 40 0 IIABHM COc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)cc1 ZINC000224545014 557619850 /nfs/dbraw/zinc/61/98/50/557619850.db2.gz GZHIQANKPWVKRR-HNNXBMFYSA-N -1 3 444.484 4.041 40 0 IIABHM O=S(=O)(Cc1cccc(Cl)c1)[N-]c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000224548810 557620933 /nfs/dbraw/zinc/62/09/33/557620933.db2.gz AAZKMOVQZKCMPK-UHFFFAOYSA-N -1 3 436.942 4.083 40 0 IIABHM COc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000224561983 557623858 /nfs/dbraw/zinc/62/38/58/557623858.db2.gz JYPHEYOLVDZXQH-OAHLLOKOSA-N -1 3 444.484 4.041 40 0 IIABHM Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)c(C)c1 ZINC000224575840 557626127 /nfs/dbraw/zinc/62/61/27/557626127.db2.gz JRACNORCFWZTIS-UHFFFAOYSA-N -1 3 428.485 4.261 40 0 IIABHM Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])nc1 ZINC000224594244 557628599 /nfs/dbraw/zinc/62/85/99/557628599.db2.gz DRQYUUOQRJBNGE-DHIUTWEWSA-N -1 3 427.533 4.458 40 0 IIABHM [O-]c1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(O)cc1 ZINC000224613345 557631058 /nfs/dbraw/zinc/63/10/58/557631058.db2.gz ZFDJWUONDBBKNH-XZOQPEGZSA-N -1 3 428.517 4.461 40 0 IIABHM CS(=O)(=O)c1cn[n-]c1C[C@@H]1CCCN(Cc2ccccc2-c2ccccc2F)C1 ZINC000257266862 568696218 /nfs/dbraw/zinc/69/62/18/568696218.db2.gz MEWRNPBFAJQDLQ-KRWDZBQOSA-N -1 3 427.545 4.074 40 0 IIABHM CS(=O)(=O)c1c[n-]nc1C[C@@H]1CCCN(Cc2ccccc2-c2ccccc2F)C1 ZINC000257266862 568696220 /nfs/dbraw/zinc/69/62/20/568696220.db2.gz MEWRNPBFAJQDLQ-KRWDZBQOSA-N -1 3 427.545 4.074 40 0 IIABHM Cc1csc([N-]c2cncc(C3CCN(S(=O)(=O)c4ccc(C)c(F)c4)CC3)n2)n1 ZINC000257342057 568729430 /nfs/dbraw/zinc/72/94/30/568729430.db2.gz ZMXCYMPCCXMFPV-UHFFFAOYSA-N -1 3 447.561 4.001 40 0 IIABHM Cc1cc(NC(=S)NC(=O)COc2ccc(Cl)cc2C)cc(Br)c1[O-] ZINC000226244283 569177971 /nfs/dbraw/zinc/17/79/71/569177971.db2.gz JHNPKBBGGLUFKV-UHFFFAOYSA-N -1 3 443.750 4.317 40 0 IIABHM O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCCC1)C2 ZINC000247965068 569206670 /nfs/dbraw/zinc/20/66/70/569206670.db2.gz ZAQIDBMUUHVOHB-JFSTXAPLSA-N -1 3 438.616 4.363 40 0 IIABHM COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)c3cccc(Cl)c3)c2)cc1 ZINC000015892373 569225691 /nfs/dbraw/zinc/22/56/91/569225691.db2.gz AGVCKRPILSPLCJ-UHFFFAOYSA-N -1 3 446.912 4.410 40 0 IIABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1Cl ZINC000033583911 569244698 /nfs/dbraw/zinc/24/46/98/569244698.db2.gz AVWFKLNLAATWNA-UHFFFAOYSA-N -1 3 446.912 4.167 40 0 IIABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)cc2)cc1Cl ZINC000008856498 569291269 /nfs/dbraw/zinc/29/12/69/569291269.db2.gz KIOTYXJJIYNXKL-BDTNDASRSA-N -1 3 434.879 4.405 40 0 IIABHM CCOc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)cc1 ZINC000020458129 520998296 /nfs/dbraw/zinc/99/82/96/520998296.db2.gz JQMVUGYSPXSBDY-UHFFFAOYSA-N -1 3 444.940 4.470 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccc(F)cc3)cc2)cc1 ZINC000022536834 525300873 /nfs/dbraw/zinc/30/08/73/525300873.db2.gz VXKFXEPHIWGDMX-QGZVFWFLSA-N -1 3 442.512 4.191 40 0 IIABHM Cc1cc(C)cc(NC(=O)CSc2nnc(-c3cc(Br)ccc3[O-])n2C)c1 ZINC000408542274 555790382 /nfs/dbraw/zinc/79/03/82/555790382.db2.gz IPDAIWMLMSBPDQ-UHFFFAOYSA-N -1 3 447.358 4.298 40 0 IIABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1NC(=O)c1ccccc1F ZINC000408561675 555903867 /nfs/dbraw/zinc/90/38/67/555903867.db2.gz VAGPWRDXENDPRM-UHFFFAOYSA-N -1 3 444.484 4.286 40 0 IIABHM COc1cccc(OC)c1C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000408573972 555924590 /nfs/dbraw/zinc/92/45/90/555924590.db2.gz GIWHPBHXJVTAHM-UHFFFAOYSA-N -1 3 440.521 4.374 40 0 IIABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC3CCCCCCC3)cc2)cc1 ZINC000408584431 555937255 /nfs/dbraw/zinc/93/72/55/555937255.db2.gz PRXLUBYZDZNNIG-UHFFFAOYSA-N -1 3 446.569 4.104 40 0 IIABHM CCCCCNC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408597586 555965386 /nfs/dbraw/zinc/96/53/86/555965386.db2.gz VGZCZJDVAGEJSW-SFHVURJKSA-N -1 3 443.396 4.189 40 0 IIABHM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1C(=O)N1CCCCC1 ZINC000408693404 556098871 /nfs/dbraw/zinc/09/88/71/556098871.db2.gz SBVWWSUYECBLPL-UHFFFAOYSA-N -1 3 443.352 4.429 40 0 IIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(F)cc3)cc2)cc1 ZINC000015438874 556528218 /nfs/dbraw/zinc/52/82/18/556528218.db2.gz CDFIQXZQVOILQM-UHFFFAOYSA-N -1 3 444.484 4.043 40 0 IIABHM Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1Cl ZINC000016312970 556600082 /nfs/dbraw/zinc/60/00/82/556600082.db2.gz AVQGLKWAXHEUAA-UHFFFAOYSA-N -1 3 430.913 4.467 40 0 IIABHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)cc2)cc1 ZINC000100977399 556633567 /nfs/dbraw/zinc/63/35/67/556633567.db2.gz OXYHMUFBTGERQS-VXNXHJTFSA-N -1 3 444.487 4.232 40 0 IIABHM CCOc1cccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)c1 ZINC000044883195 556674435 /nfs/dbraw/zinc/67/44/35/556674435.db2.gz CVZWVOGIIRAPAF-UHFFFAOYSA-N -1 3 444.940 4.470 40 0 IIABHM O=C(c1ccccc1F)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCCC1)C2 ZINC000019347559 556743036 /nfs/dbraw/zinc/74/30/36/556743036.db2.gz OYBZBJUQHZMCAM-JOCHJYFZSA-N -1 3 438.547 4.380 40 0 IIABHM O=C(c1ccccc1F)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCCC1)C2 ZINC000019347557 556743172 /nfs/dbraw/zinc/74/31/72/556743172.db2.gz OYBZBJUQHZMCAM-QFIPXVFZSA-N -1 3 438.547 4.380 40 0 IIABHM C[C@@H]1CN(c2nc3c(c(=O)[n-]2)CCN(Cc2ccc(-c4ccccc4)cc2)C3)C[C@@H](C)O1 ZINC000019497595 556770405 /nfs/dbraw/zinc/77/04/05/556770405.db2.gz VQAXYGNMBLDPEQ-RTBURBONSA-N -1 3 430.552 4.021 40 0 IIABHM CCOc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3[O-])N(C)C2=S)cc1 ZINC000409031112 556927224 /nfs/dbraw/zinc/92/72/24/556927224.db2.gz GPBXHOOFHMWOCJ-WJDWOHSUSA-N -1 3 433.327 4.158 40 0 IIABHM CC(C)(C)SCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000019933917 556950175 /nfs/dbraw/zinc/95/01/75/556950175.db2.gz UCIXTCLRDYMTLU-UHFFFAOYSA-N -1 3 426.991 4.402 40 0 IIABHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1C ZINC000072414155 556972099 /nfs/dbraw/zinc/97/20/99/556972099.db2.gz XFPDZFKSDDINQT-UHFFFAOYSA-N -1 3 431.295 4.189 40 0 IIABHM O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)Nc1cc(Cl)cc(Cl)c1 ZINC000409146864 556977375 /nfs/dbraw/zinc/97/73/75/556977375.db2.gz VHLQQPIIOQSXIP-UHFFFAOYSA-N -1 3 428.124 4.217 40 0 IIABHM CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)cc(Cl)c1[O-] ZINC000409170381 556980685 /nfs/dbraw/zinc/98/06/85/556980685.db2.gz UULULBLWEMHZOI-YVLHZVERSA-N -1 3 446.912 4.428 40 0 IIABHM COc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c1 ZINC000409392183 557096577 /nfs/dbraw/zinc/09/65/77/557096577.db2.gz PYFHYWXXXVVXLQ-UHFFFAOYSA-N -1 3 446.912 4.167 40 0 IIABHM O=C(c1ccc(F)cc1)N1CCCc2cc(S(=O)(=O)[N-]c3ccccc3F)ccc21 ZINC000020766786 557129013 /nfs/dbraw/zinc/12/90/13/557129013.db2.gz LLVPLWIKQPAPBI-UHFFFAOYSA-N -1 3 428.460 4.359 40 0 IIABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)N2c3ccccc3C[C@H]2C)cc1 ZINC000222682912 557373866 /nfs/dbraw/zinc/37/38/66/557373866.db2.gz DGZPGIBKRPWPSJ-GOSISDBHSA-N -1 3 436.533 4.152 40 0 IIABHM COc1ccccc1[C@@H]1CC(=O)c2c[n-]c3nn(-c4nc5ccccc5s4)c(=O)c-3c2C1 ZINC000013639615 557384912 /nfs/dbraw/zinc/38/49/12/557384912.db2.gz IXXRUYWZYZPEJF-ZDUSSCGKSA-N -1 3 442.500 4.245 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)c3ccccc3)c(C)c2)cc1C ZINC000222812043 557389496 /nfs/dbraw/zinc/38/94/96/557389496.db2.gz BAVMUPOVPZJYCZ-UHFFFAOYSA-N -1 3 438.549 4.454 40 0 IIABHM COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)cc1 ZINC000013980923 557399869 /nfs/dbraw/zinc/39/98/69/557399869.db2.gz BXCMTIRCFQFHMF-UHFFFAOYSA-N -1 3 440.521 4.130 40 0 IIABHM Cc1nc(N2CCN(c3ccc(F)cc3)CC2)[n-]c(=O)c1Cc1cccc2ccccc21 ZINC000014162202 557427797 /nfs/dbraw/zinc/42/77/97/557427797.db2.gz YSBSFWCHJDWVPW-UHFFFAOYSA-N -1 3 428.511 4.288 40 0 IIABHM COc1c(F)c(F)c(C(=O)[N-]c2ccc(I)cc2F)c(F)c1F ZINC000016194433 557470494 /nfs/dbraw/zinc/47/04/94/557470494.db2.gz ZFLICLOVVYBJSN-UHFFFAOYSA-N -1 3 443.109 4.248 40 0 IIABHM Cc1ccc(CCCNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)cc1 ZINC000223961315 557535153 /nfs/dbraw/zinc/53/51/53/557535153.db2.gz GCRKTKFZRWHBPL-UHFFFAOYSA-N -1 3 426.513 4.298 40 0 IIABHM Cc1ccc(OC[C@H](C)NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)cc1 ZINC000223963776 557535321 /nfs/dbraw/zinc/53/53/21/557535321.db2.gz YQFXWINLMAHZIK-KRWDZBQOSA-N -1 3 442.512 4.132 40 0 IIABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCCCc3ccccc3)ccc2C)cc1 ZINC000224061558 557553294 /nfs/dbraw/zinc/55/32/94/557553294.db2.gz YHRCLDGZIFYBAD-UHFFFAOYSA-N -1 3 438.549 4.167 40 0 IIABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCc3ccccc3Cl)ccc2C)cc1 ZINC000224060867 557553313 /nfs/dbraw/zinc/55/33/13/557553313.db2.gz TZFRVGZHHTYXQH-UHFFFAOYSA-N -1 3 444.940 4.388 40 0 IIABHM Cc1ccccc1CS(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2ccccc2C)cc1 ZINC000224546536 557620056 /nfs/dbraw/zinc/62/00/56/557620056.db2.gz MKVDJUYTEPJAOI-UHFFFAOYSA-N -1 3 430.551 4.046 40 0 IIABHM Cc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)cc1 ZINC000224553177 557621836 /nfs/dbraw/zinc/62/18/36/557621836.db2.gz KXXZYFMTLUMGRR-MRXNPFEDSA-N -1 3 428.485 4.341 40 0 IIABHM Cc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000224558590 557623131 /nfs/dbraw/zinc/62/31/31/557623131.db2.gz NHFPWCLOXIWMQT-MRXNPFEDSA-N -1 3 428.485 4.341 40 0 IIABHM Cc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)c1C ZINC000224575232 557626180 /nfs/dbraw/zinc/62/61/80/557626180.db2.gz YSBHUDZBMVPFRD-UHFFFAOYSA-N -1 3 428.485 4.261 40 0 IIABHM [O-]c1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(O)cc1 ZINC000224613400 557631007 /nfs/dbraw/zinc/63/10/07/557631007.db2.gz ZFDJWUONDBBKNH-GOTSBHOMSA-N -1 3 428.517 4.461 40 0 IIABHM [O-]c1c(I)cc(I)cc1Cc1ccccc1 ZINC000040542433 557719581 /nfs/dbraw/zinc/71/95/81/557719581.db2.gz KCRNUWHQYDIMLN-UHFFFAOYSA-N -1 3 436.030 4.192 40 0 IIABHM O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCCC1)C2 ZINC000247965072 569206689 /nfs/dbraw/zinc/20/66/89/569206689.db2.gz ZAQIDBMUUHVOHB-VNHKHXMHSA-N -1 3 438.616 4.363 40 0 IIABHM Cc1ccsc1CN1CCc2c(=O)[n-]c([C@H]3CCCN3C(=O)[C@@H]3CC=CCC3)nc2C1 ZINC000253599042 569209126 /nfs/dbraw/zinc/20/91/26/569209126.db2.gz KFOLRBSZZKGQOJ-YLJYHZDGSA-N -1 3 438.597 4.130 40 0 IIABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C)cc3C)cc2)cc1 ZINC000033580990 569244722 /nfs/dbraw/zinc/24/47/22/569244722.db2.gz OYHAIRLFKQFBAT-UHFFFAOYSA-N -1 3 440.521 4.130 40 0 IIABHM COc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1C ZINC000035144458 569248381 /nfs/dbraw/zinc/24/83/81/569248381.db2.gz FVVCQQSFDHLUIP-UHFFFAOYSA-N -1 3 440.521 4.130 40 0 IIABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)cc3F)cc2)c1 ZINC000108122132 569252525 /nfs/dbraw/zinc/25/25/25/569252525.db2.gz CCNHCQIRFUTXCP-UHFFFAOYSA-N -1 3 432.448 4.092 40 0 IIABHM Cc1ccc(-n2c(SCC(=O)Nc3nccs3)nnc2-c2ccccc2[O-])c(C)c1 ZINC000408542190 555790423 /nfs/dbraw/zinc/79/04/23/555790423.db2.gz HOGLBGVNBGNZOP-UHFFFAOYSA-N -1 3 437.550 4.444 40 0 IIABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)NC3CCCCC3)cc2)c1 ZINC000408595158 555961318 /nfs/dbraw/zinc/96/13/18/555961318.db2.gz UCFCWAAGMFUSOO-GOSISDBHSA-N -1 3 430.570 4.320 40 0 IIABHM CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000408603486 555972619 /nfs/dbraw/zinc/97/26/19/555972619.db2.gz KJZHHGVPJPYRID-CQSZACIVSA-N -1 3 444.475 4.046 40 0 IIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC3CCCCC3)cc2)cc1 ZINC000408614104 555984360 /nfs/dbraw/zinc/98/43/60/555984360.db2.gz YKPISCZIOMCLSI-KRWDZBQOSA-N -1 3 446.569 4.102 40 0 IIABHM O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1[O-])C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408667249 556055482 /nfs/dbraw/zinc/05/54/82/556055482.db2.gz VFZDHZDHTKUGNT-TUUBTQOTSA-N -1 3 436.294 4.490 40 0 IIABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3OC)cc2)cc1 ZINC000009886187 556314953 /nfs/dbraw/zinc/31/49/53/556314953.db2.gz VHRGOSJDQPGJIP-FRKPEAEDSA-N -1 3 438.505 4.157 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)cc3F)cc2)cc1 ZINC000016293483 556598704 /nfs/dbraw/zinc/59/87/04/556598704.db2.gz HNOLLMFNJFAFAC-UHFFFAOYSA-N -1 3 432.448 4.092 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)cc1 ZINC000016293449 556598709 /nfs/dbraw/zinc/59/87/09/556598709.db2.gz RGZNDFAHSFQJEY-UHFFFAOYSA-N -1 3 430.913 4.467 40 0 IIABHM CCCC[C@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C([O-])=C2ON1c1ccccc1 ZINC000101025253 556644294 /nfs/dbraw/zinc/64/42/94/556644294.db2.gz HZCHVXGZXPEOCQ-FHWLQOOXSA-N -1 3 429.314 4.318 40 0 IIABHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc(O)c2)cc1 ZINC000101078887 556653764 /nfs/dbraw/zinc/65/37/64/556653764.db2.gz QQENCQLIBAWUEO-SGNDLWITSA-N -1 3 444.487 4.232 40 0 IIABHM CS(=O)(=O)[N-]c1ccc(Cl)c(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)c1 ZINC000044903861 556679233 /nfs/dbraw/zinc/67/92/33/556679233.db2.gz LPXVSMKHQCCYLZ-UHFFFAOYSA-N -1 3 449.960 4.026 40 0 IIABHM O=C(Cc1cccs1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCCC1)C2 ZINC000019343222 556741167 /nfs/dbraw/zinc/74/11/67/556741167.db2.gz VKXYWTTWDUWZFC-OAQYLSRUSA-N -1 3 440.613 4.231 40 0 IIABHM CC(C)N1CCc2c(=O)[n-]c([C@H]3CCCN3C(=O)c3cc4c(s3)CCCCC4)nc2C1 ZINC000019448403 556757887 /nfs/dbraw/zinc/75/78/87/556757887.db2.gz JEIGZGCNZOKSOD-LJQANCHMSA-N -1 3 440.613 4.256 40 0 IIABHM CC(C)c1nc(C[C@H](NC(=O)C2(c3ccccc3)CCOCC2)c2ccccc2)cc(=O)[n-]1 ZINC000019453544 556763938 /nfs/dbraw/zinc/76/39/38/556763938.db2.gz LZWNNWKACUBCEK-QHCPKHFHSA-N -1 3 445.563 4.042 40 0 IIABHM COCCn1c(SCC(=O)c2ccc(OC)cc2)nnc1-c1cc2ccccc2cc1[O-] ZINC000006905485 556840719 /nfs/dbraw/zinc/84/07/19/556840719.db2.gz WSRJRQBJOGXPJB-UHFFFAOYSA-N -1 3 449.532 4.434 40 0 IIABHM O=C(COc1ccc(Cl)cc1Cl)N1NC2=C(CCCCC2)[C@]1([O-])C(F)(F)F ZINC000408954984 556899091 /nfs/dbraw/zinc/89/90/91/556899091.db2.gz NZYABCJGVSWIPV-BZNIZROVSA-N -1 3 425.234 4.402 40 0 IIABHM C[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)COc1ccc(Cl)cc1Cl)N2 ZINC000409054740 556938310 /nfs/dbraw/zinc/93/83/10/556938310.db2.gz BGVHJEKVIUPFCW-SEFYAATASA-N -1 3 425.234 4.258 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(F)ccc3F)cc2)cc1 ZINC000020019878 556964190 /nfs/dbraw/zinc/96/41/90/556964190.db2.gz OBPAFHIGVUSESG-UHFFFAOYSA-N -1 3 432.448 4.092 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(F)ccc3C)cc2)cc1 ZINC000020019884 556964216 /nfs/dbraw/zinc/96/42/16/556964216.db2.gz NADMIRIFNIWZMN-UHFFFAOYSA-N -1 3 428.485 4.261 40 0 IIABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(F)c3)cc2)c1 ZINC000020020324 556964483 /nfs/dbraw/zinc/96/44/83/556964483.db2.gz LHKIIXHVVURMRX-UHFFFAOYSA-N -1 3 446.475 4.400 40 0 IIABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(F)ccc3F)cc2)c1 ZINC000020020174 556964540 /nfs/dbraw/zinc/96/45/40/556964540.db2.gz IRKDSWSVBZIRHN-UHFFFAOYSA-N -1 3 446.475 4.400 40 0 IIABHM Cc1ccc(F)cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C ZINC000020022491 556965600 /nfs/dbraw/zinc/96/56/00/556965600.db2.gz JMXATWJLXCUAPB-UHFFFAOYSA-N -1 3 446.475 4.400 40 0 IIABHM COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc(Cl)c1[O-] ZINC000409171252 556983559 /nfs/dbraw/zinc/98/35/59/556983559.db2.gz YZQLOOBEHJPHQG-MFOYZWKCSA-N -1 3 446.912 4.346 40 0 IIABHM COc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1 ZINC000020108421 556984066 /nfs/dbraw/zinc/98/40/66/556984066.db2.gz FZFZPOJUQAERDI-OAHLLOKOSA-N -1 3 444.484 4.041 40 0 IIABHM COc1cc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)cc(Br)c1[O-] ZINC000409223760 557017987 /nfs/dbraw/zinc/01/79/87/557017987.db2.gz HFSRGAQRESHVKR-CXUHLZMHSA-N -1 3 448.294 4.083 40 0 IIABHM CCOc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1[O-] ZINC000409251881 557036993 /nfs/dbraw/zinc/03/69/93/557036993.db2.gz QUZHROPZCNXQIM-RIYZIHGNSA-N -1 3 437.677 4.304 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)cc3F)cc2)cc1C ZINC000409376022 557087491 /nfs/dbraw/zinc/08/74/91/557087491.db2.gz SHJLZZIIVFBKOL-UHFFFAOYSA-N -1 3 446.475 4.400 40 0 IIABHM CS(=O)(=O)[N-]c1ccc(C(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1 ZINC000409409589 557108474 /nfs/dbraw/zinc/10/84/74/557108474.db2.gz IKRZKYFFPAYPDY-UHFFFAOYSA-N -1 3 433.382 4.028 40 0 IIABHM CCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102761291 557132363 /nfs/dbraw/zinc/13/23/63/557132363.db2.gz HQSPYXVGXOZEBV-XPWALMASSA-N -1 3 432.451 4.276 40 0 IIABHM O=C(Cc1ccsc1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCCC1)C2 ZINC000096319722 557199348 /nfs/dbraw/zinc/19/93/48/557199348.db2.gz RPGBCZRZMBQLPM-NRFANRHFSA-N -1 3 440.613 4.231 40 0 IIABHM Cc1cccc(CNC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c1 ZINC000222700779 557375819 /nfs/dbraw/zinc/37/58/19/557375819.db2.gz IJIWWKQIZNYXOY-UHFFFAOYSA-N -1 3 444.940 4.144 40 0 IIABHM CN(C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000222702489 557376322 /nfs/dbraw/zinc/37/63/22/557376322.db2.gz PGLQBKUJVVKWSQ-UHFFFAOYSA-N -1 3 430.913 4.183 40 0 IIABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)N(C)c1ccccc1 ZINC000222801916 557388183 /nfs/dbraw/zinc/38/81/83/557388183.db2.gz ICVFYZGIOMJQTN-UHFFFAOYSA-N -1 3 444.940 4.491 40 0 IIABHM COc1c(C(=O)NC(=S)Nc2ccccc2[O-])cc2ccccc2c1Br ZINC000017097371 557478754 /nfs/dbraw/zinc/47/87/54/557478754.db2.gz BEZOSKRAPPXQAH-UHFFFAOYSA-N -1 3 431.311 4.443 40 0 IIABHM COc1ccc([C@@H](C)NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)cc1 ZINC000223962042 557535088 /nfs/dbraw/zinc/53/50/88/557535088.db2.gz UCQZJLGOZCVVOL-OAHLLOKOSA-N -1 3 428.485 4.126 40 0 IIABHM O=C(C1CC1)N1CCc2cc(S(=O)(=O)[N-]c3ccc(OCc4ccccc4)cc3)ccc21 ZINC000224424933 557604852 /nfs/dbraw/zinc/60/48/52/557604852.db2.gz NWNLWSMPIRTATJ-UHFFFAOYSA-N -1 3 448.544 4.366 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCc3ccc4c(c3)OCO4)cc2)cc1 ZINC000224567476 557624689 /nfs/dbraw/zinc/62/46/89/557624689.db2.gz SCCNNUVYNKUCOZ-UHFFFAOYSA-N -1 3 438.505 4.096 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3cccc(Cl)c3)cc2)cc1 ZINC000224571005 557625410 /nfs/dbraw/zinc/62/54/10/557625410.db2.gz ARAKYLSYDVQDJQ-UHFFFAOYSA-N -1 3 430.913 4.467 40 0 IIABHM CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000224576432 557626390 /nfs/dbraw/zinc/62/63/90/557626390.db2.gz DLPNKXJGAKTDHQ-NRFANRHFSA-N -1 3 428.485 4.423 40 0 IIABHM C[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1)c1ccc(C(C)(C)C)cc1 ZINC000224586092 557627513 /nfs/dbraw/zinc/62/75/13/557627513.db2.gz XUDSGSQPZXIWEM-CQSZACIVSA-N -1 3 444.582 4.127 40 0 IIABHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CC(C)(C)Oc2ccc(C)cc21 ZINC000224974563 557673280 /nfs/dbraw/zinc/67/32/80/557673280.db2.gz UYEOCVSLXKWIRX-HNNXBMFYSA-N -1 3 440.359 4.347 40 0 IIABHM CCCn1c2ccc(S(=O)(=O)[N-]c3ccc(N4CCCCC4)cc3)cc2sc1=O ZINC000224981172 557674311 /nfs/dbraw/zinc/67/43/11/557674311.db2.gz JLLZELOMSDFHBW-UHFFFAOYSA-N -1 3 431.583 4.264 40 0 IIABHM COc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1 ZINC000033651201 569245386 /nfs/dbraw/zinc/24/53/86/569245386.db2.gz PEPYLUBBOHADSG-UHFFFAOYSA-N -1 3 440.521 4.130 40 0 IIABHM CCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccncc2)cc1 ZINC000009459121 569296519 /nfs/dbraw/zinc/29/65/19/569296519.db2.gz IOKLKWPWAMGOPM-VXNXHJTFSA-N -1 3 443.503 4.312 40 0 IIABHM COc1ccccc1CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000022525928 524482855 /nfs/dbraw/zinc/48/28/55/524482855.db2.gz KRAUEZAMTVWDKM-UHFFFAOYSA-N -1 3 430.913 4.079 40 0 IIABHM CCc1ccc([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)NC3CCCCC3)cc2)cc1 ZINC000408586114 555936671 /nfs/dbraw/zinc/93/66/71/555936671.db2.gz AGJNBBHWFMGFJS-QGZVFWFLSA-N -1 3 430.570 4.266 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC3CCCCC3)cc2)cc1C ZINC000408595053 555960829 /nfs/dbraw/zinc/96/08/29/555960829.db2.gz SYXGRVDMULMNKG-SFHVURJKSA-N -1 3 430.570 4.320 40 0 IIABHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)NCC(C)C)cc2)cc1 ZINC000408596848 555964533 /nfs/dbraw/zinc/96/45/33/555964533.db2.gz SPVGWPIRCAUDEA-SFHVURJKSA-N -1 3 432.586 4.370 40 0 IIABHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3sc(C(=O)N4CCOCC4)cc3c2)c(C)c1 ZINC000408713466 556130521 /nfs/dbraw/zinc/13/05/21/556130521.db2.gz ZWHRFCXXJIYXRQ-UHFFFAOYSA-N -1 3 444.578 4.100 40 0 IIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(OC)c3)cc2)cc1 ZINC000015438941 556528181 /nfs/dbraw/zinc/52/81/81/556528181.db2.gz CWSKZASFSQQADU-UHFFFAOYSA-N -1 3 426.494 4.147 40 0 IIABHM CSc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000016248800 556594537 /nfs/dbraw/zinc/59/45/37/556594537.db2.gz MVOXOTDVORRMGY-UHFFFAOYSA-N -1 3 428.535 4.227 40 0 IIABHM COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)cc2)c1 ZINC000101020157 556644980 /nfs/dbraw/zinc/64/49/80/556644980.db2.gz WOETXSICZKRVLL-BDTNDASRSA-N -1 3 434.879 4.400 40 0 IIABHM Cc1ccc(C2(C(=O)N3CCC[C@@H]3c3nc4c(c(=O)[n-]3)CCN(C(C)C)C4)CCCC2)cc1 ZINC000019208488 556708257 /nfs/dbraw/zinc/70/82/57/556708257.db2.gz PPKUEFAROCEDNC-HSZRJFAPSA-N -1 3 448.611 4.433 40 0 IIABHM Cc1ccc(CC(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)CCN(C2CCCC2)C3)cc1 ZINC000019209728 556708461 /nfs/dbraw/zinc/70/84/61/556708461.db2.gz BLGZPYWRXFKMHY-QHCPKHFHSA-N -1 3 434.584 4.088 40 0 IIABHM Cc1ccc(OC(C)(C)C(=O)N[C@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C)n2)cc1 ZINC000019210764 556709108 /nfs/dbraw/zinc/70/91/08/556709108.db2.gz ONBVSKXLLDHOCV-JOCHJYFZSA-N -1 3 444.535 4.126 40 0 IIABHM Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)cc(=O)[n-]1 ZINC000019214204 556711054 /nfs/dbraw/zinc/71/10/54/556711054.db2.gz XXXBYWQSZFOXCQ-SBUREZEXSA-N -1 3 444.535 4.044 40 0 IIABHM O=C(Cc1ccsc1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(CC1CCCCC1)C2 ZINC000019406429 556755228 /nfs/dbraw/zinc/75/52/28/556755228.db2.gz ZLBRRLXCIJPWHC-NRFANRHFSA-N -1 3 440.613 4.088 40 0 IIABHM COc1ccc(CC(=O)N2NC3=C(C[C@@H](C(C)(C)C)CC3)[C@@]2([O-])C(F)(F)F)cc1OC ZINC000409093642 556949487 /nfs/dbraw/zinc/94/94/87/556949487.db2.gz BKZUMVBVUZCBCS-PDSXEYIOSA-N -1 3 442.478 4.158 40 0 IIABHM COc1ccc(C(=O)N2NC3=C(C[C@@H](C(C)(C)C)CC3)[C@]2([O-])C(F)(F)F)cc1OC ZINC000409101101 556955488 /nfs/dbraw/zinc/95/54/88/556955488.db2.gz VFKHLMOALMQWAV-YRVVQQKDSA-N -1 3 428.451 4.229 40 0 IIABHM C[C@@H]1CCCC2=C1NN(C(=O)COc1ccc(Cl)cc1Cl)[C@]2([O-])C(F)(F)F ZINC000409178342 556987033 /nfs/dbraw/zinc/98/70/33/556987033.db2.gz KYOUMYQNAFFZPV-SEFYAATASA-N -1 3 425.234 4.258 40 0 IIABHM COc1ccccc1NC(=O)CSc1nnc(-c2ccccc2[O-])n1-c1ccccc1 ZINC000000995942 557118126 /nfs/dbraw/zinc/11/81/26/557118126.db2.gz FYIAIJFBFOXDRR-UHFFFAOYSA-N -1 3 432.505 4.379 40 0 IIABHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@@H]2c1cccnc1 ZINC000102728208 557131637 /nfs/dbraw/zinc/13/16/37/557131637.db2.gz FYHTYUXWMHZIRA-ZCNNSNEGSA-N -1 3 440.286 4.440 40 0 IIABHM CO[C@H]1CC[C@H](C(=O)N[C@@H](Cc2cc(=O)[n-]c(C3CCC3)n2)c2ccc(F)cc2)CC1 ZINC000100732549 557272929 /nfs/dbraw/zinc/27/29/29/557272929.db2.gz SDZHTWKOMNPHBH-WMQCIHAUSA-N -1 3 427.520 4.194 40 0 IIABHM O=c1c2c(-c3ccco3)[n-]n(-c3ccccc3)c-2c(O)n1-c1ccc(Cl)c(Cl)c1 ZINC000101460704 557292815 /nfs/dbraw/zinc/29/28/15/557292815.db2.gz QSSJXNLYJCALBQ-IEBWSBKVSA-N -1 3 426.259 4.369 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3cccc(C)c3)c(C)c2)cc1 ZINC000222762465 557384187 /nfs/dbraw/zinc/38/41/87/557384187.db2.gz PEHLTOBEQVNBTI-UHFFFAOYSA-N -1 3 438.549 4.108 40 0 IIABHM COc1ccc(Br)cc1S(=O)(=O)[N-]CCCc1ccc(OC(C)C)cc1 ZINC000223365734 557463276 /nfs/dbraw/zinc/46/32/76/557463276.db2.gz LFNJDBAUXBMYGF-UHFFFAOYSA-N -1 3 442.375 4.156 40 0 IIABHM CCOc1ccccc1NC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000224057842 557553020 /nfs/dbraw/zinc/55/30/20/557553020.db2.gz UCTFGCAKVJFNOH-UHFFFAOYSA-N -1 3 440.521 4.455 40 0 IIABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N[C@@H](C)c3ccc(F)cc3)ccc2C)cc1 ZINC000224062215 557553609 /nfs/dbraw/zinc/55/36/09/557553609.db2.gz ORIPSWUKLOQZKJ-INIZCTEOSA-N -1 3 442.512 4.435 40 0 IIABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCc3cccc(Cl)c3)ccc2C)cc1 ZINC000224102425 557561258 /nfs/dbraw/zinc/56/12/58/557561258.db2.gz HYAIVBVQZUIXBH-UHFFFAOYSA-N -1 3 444.940 4.388 40 0 IIABHM Cc1cccc(C)c1NS(=O)(=O)c1ccc([N-]S(=O)(=O)Cc2ccccc2)cc1 ZINC000224545333 557619877 /nfs/dbraw/zinc/61/98/77/557619877.db2.gz WSJBBHRHQUWMNX-UHFFFAOYSA-N -1 3 430.551 4.046 40 0 IIABHM Cc1cccc(CS(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)c1 ZINC000224546979 557620428 /nfs/dbraw/zinc/62/04/28/557620428.db2.gz WNFJDKIGDFLLIL-UHFFFAOYSA-N -1 3 444.578 4.355 40 0 IIABHM Cc1ccc(CS(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)cc1 ZINC000224548095 557620693 /nfs/dbraw/zinc/62/06/93/557620693.db2.gz HEEKKJKJPZOUQF-UHFFFAOYSA-N -1 3 444.578 4.355 40 0 IIABHM [O-]c1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1Cc1cccnc1 ZINC000224597180 557629071 /nfs/dbraw/zinc/62/90/71/557629071.db2.gz KDPASROWMDZRFU-GOTSBHOMSA-N -1 3 427.533 4.209 40 0 IIABHM COCCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1cc(Cl)ccc1[O-] ZINC000224865050 557659963 /nfs/dbraw/zinc/65/99/63/557659963.db2.gz SOIHWTXQWZXFGD-WOJBJXKFSA-N -1 3 428.945 4.066 40 0 IIABHM COCCn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1cc(Cl)ccc1[O-] ZINC000224865178 557660012 /nfs/dbraw/zinc/66/00/12/557660012.db2.gz SOIHWTXQWZXFGD-PMACEKPBSA-N -1 3 428.945 4.066 40 0 IIABHM COc1ccc(Br)cc1S(=O)(=O)[N-]CCOc1ccc(C(C)(C)C)cc1 ZINC000225184453 557697386 /nfs/dbraw/zinc/69/73/86/557697386.db2.gz ADLORPAQNNLASH-UHFFFAOYSA-N -1 3 442.375 4.113 40 0 IIABHM COc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)c1 ZINC000033789416 557810003 /nfs/dbraw/zinc/81/00/03/557810003.db2.gz PBMWLPSBQYKVAD-UHFFFAOYSA-N -1 3 440.521 4.130 40 0 IIABHM CC1(C)Oc2ccccc2[C@H]2OCC3(CCN(C(=O)c4ccc5n[n-]nc5c4)CC3)C[C@@H]21 ZINC000257318653 568719379 /nfs/dbraw/zinc/71/93/79/568719379.db2.gz VOWYIUCDOGWXGM-PGRDOPGGSA-N -1 3 432.524 4.129 40 0 IIABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)NC3CCCCCC3)cc2)c1 ZINC000033858818 569247111 /nfs/dbraw/zinc/24/71/11/569247111.db2.gz AJFYVZSINUBKNT-UHFFFAOYSA-N -1 3 430.570 4.322 40 0 IIABHM CCOC(=O)c1cc([N-]S(=O)(=O)Cc2ccc(Br)cc2)ccc1Cl ZINC000022514959 521443155 /nfs/dbraw/zinc/44/31/55/521443155.db2.gz YTFONYWNQZDIFL-UHFFFAOYSA-N -1 3 432.723 4.221 40 0 IIABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2ccc(F)cc2)cc1 ZINC000022536870 525271949 /nfs/dbraw/zinc/27/19/49/525271949.db2.gz WHXVRJQNLPOFPN-QGZVFWFLSA-N -1 3 442.512 4.191 40 0 IIABHM O=C(N=C([O-])Nc1nc(-c2cccs2)cc(C(F)(F)F)n1)c1c(F)cccc1F ZINC000001075591 555623925 /nfs/dbraw/zinc/62/39/25/555623925.db2.gz XYCUQHZMALENIT-UHFFFAOYSA-N -1 3 428.342 4.464 40 0 IIABHM O=C([N-]C(=O)c1c(F)cccc1F)Nc1nc(-c2cccs2)cc(C(F)(F)F)n1 ZINC000001075591 555623929 /nfs/dbraw/zinc/62/39/29/555623929.db2.gz XYCUQHZMALENIT-UHFFFAOYSA-N -1 3 428.342 4.464 40 0 IIABHM CC(C)CNC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1 ZINC000408588191 555938485 /nfs/dbraw/zinc/93/84/85/555938485.db2.gz CVYPLFIBGUKEDN-UHFFFAOYSA-N -1 3 444.326 4.167 40 0 IIABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC3CCCCC3)cc2)c1 ZINC000408595161 555961326 /nfs/dbraw/zinc/96/13/26/555961326.db2.gz UCFCWAAGMFUSOO-SFHVURJKSA-N -1 3 430.570 4.320 40 0 IIABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)Nc1c(F)cccc1F ZINC000408677887 556072154 /nfs/dbraw/zinc/07/21/54/556072154.db2.gz SBJUANXPZNWKAV-UHFFFAOYSA-N -1 3 432.448 4.092 40 0 IIABHM COc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cc1 ZINC000408703853 556111237 /nfs/dbraw/zinc/11/12/37/556111237.db2.gz ZSMLSVABCFPBLJ-KRWDZBQOSA-N -1 3 440.521 4.210 40 0 IIABHM Cc1ccc(OCCCC(=O)N2CCC(c3nc(-c4ccccn4)cc(=O)[n-]3)CC2)c(C)c1 ZINC000013226950 556499609 /nfs/dbraw/zinc/49/96/09/556499609.db2.gz QFYBFHYEWRRISC-UHFFFAOYSA-N -1 3 446.551 4.426 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccc(Cl)cc3)cc2)cc1 ZINC000016293367 556598496 /nfs/dbraw/zinc/59/84/96/556598496.db2.gz JULMWIKWXSNEMR-UHFFFAOYSA-N -1 3 444.940 4.144 40 0 IIABHM CCc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc(OC)c2)cc1 ZINC000100932884 556611649 /nfs/dbraw/zinc/61/16/49/556611649.db2.gz ZOJIDIFKCOZITF-SMIHKQSGSA-N -1 3 428.488 4.309 40 0 IIABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2Cl)cc1 ZINC000038754815 556617295 /nfs/dbraw/zinc/61/72/95/556617295.db2.gz WJGROIMOYGBEAV-UHFFFAOYSA-N -1 3 444.896 4.430 40 0 IIABHM Cc1cc(NC(=S)NC(=O)COc2ccccc2)cc(-c2nc3ccccc3o2)c1[O-] ZINC000017098431 556663287 /nfs/dbraw/zinc/66/32/87/556663287.db2.gz FKBIRMFGPLXCQV-UHFFFAOYSA-N -1 3 433.489 4.401 40 0 IIABHM Cc1ccc([C@@H](C)C(=O)N2CC[C@H](c3nc4c(c(=O)[n-]3)CCN(C3CCCCC3)C4)C2)cc1 ZINC000019135718 556706152 /nfs/dbraw/zinc/70/61/52/556706152.db2.gz CIMBPVAKFYYFRJ-CTNGQTDRSA-N -1 3 448.611 4.301 40 0 IIABHM Cc1ccc(CC(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)CCN(C2CCCC2)C3)cc1 ZINC000019209726 556708507 /nfs/dbraw/zinc/70/85/07/556708507.db2.gz BLGZPYWRXFKMHY-HSZRJFAPSA-N -1 3 434.584 4.088 40 0 IIABHM Cc1c2cc(C)ccc2oc1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C(C)C)C2 ZINC000019220410 556715173 /nfs/dbraw/zinc/71/51/73/556715173.db2.gz ZXSKBAOOEAWDQF-OAQYLSRUSA-N -1 3 448.567 4.267 40 0 IIABHM Cc1ccccc1CC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCCC1)C2 ZINC000019237084 556721891 /nfs/dbraw/zinc/72/18/91/556721891.db2.gz PTJOSJDZVBFFQI-XMMPIXPASA-N -1 3 448.611 4.478 40 0 IIABHM O=C([O-])c1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)C2ON1c1ccccc1 ZINC000013769533 556730179 /nfs/dbraw/zinc/73/01/79/556730179.db2.gz KUSNJMJTTHZZMZ-QHAWAJNXSA-N -1 3 448.862 4.089 40 0 IIABHM O=C(CC1CCCC1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(Cc1cccs1)CC2 ZINC000019343578 556741452 /nfs/dbraw/zinc/74/14/52/556741452.db2.gz DIEPDINKCLUDTF-OAQYLSRUSA-N -1 3 440.613 4.024 40 0 IIABHM CCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccncc2)cc1 ZINC000095483649 556757337 /nfs/dbraw/zinc/75/73/37/556757337.db2.gz IOKLKWPWAMGOPM-SMIHKQSGSA-N -1 3 443.503 4.312 40 0 IIABHM COc1ccc(Cl)cc1C(=O)N1CCC[C@H](c2nc(-c3ccsc3)cc(=O)[n-]2)C1 ZINC000019559017 556801129 /nfs/dbraw/zinc/80/11/29/556801129.db2.gz KNMFMQMEADEWER-ZDUSSCGKSA-N -1 3 429.929 4.180 40 0 IIABHM O=C(COc1ccc(Cl)cc1Cl)N1NC2=C(CCCCC2)[C@@]1([O-])C(F)(F)F ZINC000408954986 556899120 /nfs/dbraw/zinc/89/91/20/556899120.db2.gz NZYABCJGVSWIPV-MEDUHNTESA-N -1 3 425.234 4.402 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc4c(c3)OCO4)cc2)cc1 ZINC000009886170 557193173 /nfs/dbraw/zinc/19/31/73/557193173.db2.gz ZJCIRRQIVGJWMT-WLRTZDKTSA-N -1 3 436.489 4.176 40 0 IIABHM O=C(NC(=S)Nc1ccc([O-])c(-c2nc3ccccc3o2)c1)c1ccc2c(c1)OCO2 ZINC000010003768 557200560 /nfs/dbraw/zinc/20/05/60/557200560.db2.gz GHJDXSFUFCFFGG-UHFFFAOYSA-N -1 3 433.445 4.056 40 0 IIABHM COc1ccc(Br)cc1S(=O)(=O)[N-]CCCc1ccc(C(C)C)cc1 ZINC000223257164 557451585 /nfs/dbraw/zinc/45/15/85/557451585.db2.gz XDEARGYBCLDVMK-UHFFFAOYSA-N -1 3 426.376 4.492 40 0 IIABHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CC(C)(C)Oc2ccccc21 ZINC000223701052 557503882 /nfs/dbraw/zinc/50/38/82/557503882.db2.gz RKXGTMOFERZFCN-AWEZNQCLSA-N -1 3 426.332 4.038 40 0 IIABHM CC(C)Oc1cccc(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)c1 ZINC000223962950 557535143 /nfs/dbraw/zinc/53/51/43/557535143.db2.gz JEMWAPSIBHFHNO-UHFFFAOYSA-N -1 3 442.512 4.344 40 0 IIABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccc(F)cc3F)ccc2C)cc1 ZINC000224060412 557553326 /nfs/dbraw/zinc/55/33/26/557553326.db2.gz OJYPKAXPALVUQX-UHFFFAOYSA-N -1 3 432.448 4.335 40 0 IIABHM Cc1cccc(CS(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)c1 ZINC000224547481 557620438 /nfs/dbraw/zinc/62/04/38/557620438.db2.gz JXMROMLHMGBFMC-UHFFFAOYSA-N -1 3 430.551 4.046 40 0 IIABHM Cc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)c1 ZINC000224569217 557625089 /nfs/dbraw/zinc/62/50/89/557625089.db2.gz IWPWAAJQQPWLMW-UHFFFAOYSA-N -1 3 430.913 4.467 40 0 IIABHM COc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)c1 ZINC000224573544 557625550 /nfs/dbraw/zinc/62/55/50/557625550.db2.gz PEOGXKOWVCMSNS-UHFFFAOYSA-N -1 3 440.521 4.130 40 0 IIABHM COc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2C)cc1 ZINC000034735581 569247502 /nfs/dbraw/zinc/24/75/02/569247502.db2.gz KVQJFLCRFLHWNN-UHFFFAOYSA-N -1 3 440.521 4.130 40 0 IIABHM O=C([O-])c1ccccc1[C@H]1[C@H]2C(=O)N(c3ccccc3Cl)C(=O)C2ON1c1ccccc1 ZINC000009479114 569296616 /nfs/dbraw/zinc/29/66/16/569296616.db2.gz PYZFNPKDFMBVOX-QHAWAJNXSA-N -1 3 448.862 4.089 40 0 IIABHM CCOC(=O)c1c(C)c(C(=O)CC)sc1[N-]C(=O)c1cc(-c2ccc(O)cc2)on1 ZINC000020572820 521384676 /nfs/dbraw/zinc/38/46/76/521384676.db2.gz UDSKMPLIGBOTBZ-UHFFFAOYSA-N -1 3 428.466 4.439 40 0 IIABHM CCOC(=O)c1c(C)c(C(=O)OC)sc1[N-]C(=O)c1cc(-c2ccc(C)cc2)on1 ZINC000012846402 521388099 /nfs/dbraw/zinc/38/80/99/521388099.db2.gz ITXIZOPDQYHTKZ-UHFFFAOYSA-N -1 3 428.466 4.236 40 0 IIABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1Cl ZINC000020451170 525218315 /nfs/dbraw/zinc/21/83/15/525218315.db2.gz HXEBMJZXIFINHP-UHFFFAOYSA-N -1 3 449.960 4.026 40 0 IIABHM Cc1ccc(NC(=O)CSc2nnc(-c3cc(Br)ccc3[O-])n2C)c(C)c1 ZINC000408544392 555792154 /nfs/dbraw/zinc/79/21/54/555792154.db2.gz SSFMWHNAJQVYTK-UHFFFAOYSA-N -1 3 447.358 4.298 40 0 IIABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)NC1CCCCCC1 ZINC000408675558 556067890 /nfs/dbraw/zinc/06/78/90/556067890.db2.gz ISBTYSDGJAANLU-UHFFFAOYSA-N -1 3 434.533 4.153 40 0 IIABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)Nc1ccccc1Cl ZINC000408679158 556073820 /nfs/dbraw/zinc/07/38/20/556073820.db2.gz VELJMIXAALKJDQ-UHFFFAOYSA-N -1 3 430.913 4.467 40 0 IIABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000408680066 556074929 /nfs/dbraw/zinc/07/49/29/556074929.db2.gz YIRBSTCWYMUVEF-UHFFFAOYSA-N -1 3 432.448 4.092 40 0 IIABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccccc3C)cc2)cc1 ZINC000013993583 556353173 /nfs/dbraw/zinc/35/31/73/556353173.db2.gz WOHCSDNFSWGBGV-KRWDZBQOSA-N -1 3 440.521 4.210 40 0 IIABHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc(OC)c2)cc1 ZINC000100939427 556612453 /nfs/dbraw/zinc/61/24/53/556612453.db2.gz MSOIFKSYWYSVLK-SMIHKQSGSA-N -1 3 444.487 4.145 40 0 IIABHM COc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)c1 ZINC000044843263 556668866 /nfs/dbraw/zinc/66/88/66/556668866.db2.gz QBXWOQHRYLAMJC-QGZVFWFLSA-N -1 3 440.521 4.210 40 0 IIABHM Cc1ccc(CC(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)CCN(C2CCCCC2)C3)cc1 ZINC000019209734 556708433 /nfs/dbraw/zinc/70/84/33/556708433.db2.gz BBIKJUPRUVNFHI-DEOSSOPVSA-N -1 3 448.611 4.478 40 0 IIABHM Cc1cccc(CC(=O)N[C@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C(C)C)n2)c1 ZINC000019234827 556719403 /nfs/dbraw/zinc/71/94/03/556719403.db2.gz HPYISDLSCPBLPX-JOCHJYFZSA-N -1 3 428.536 4.326 40 0 IIABHM O=C(c1cccs1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCCC1)C2 ZINC000019342683 556740262 /nfs/dbraw/zinc/74/02/62/556740262.db2.gz NCMBJJLNXQQLFH-IBGZPJMESA-N -1 3 426.586 4.302 40 0 IIABHM O=C(CSCc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000408927577 556893186 /nfs/dbraw/zinc/89/31/86/556893186.db2.gz XNZDOQYLJXSRCG-UHFFFAOYSA-N -1 3 430.526 4.498 40 0 IIABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(F)c3)cc2)c1 ZINC000020020249 556964528 /nfs/dbraw/zinc/96/45/28/556964528.db2.gz VWKNPHPFTFRGOE-UHFFFAOYSA-N -1 3 432.448 4.092 40 0 IIABHM Cc1cccc(C(=O)N2CC[C@@]3(C2)c2cccn2-c2ncccc2N3CCC(C)C)c1[O-] ZINC000585107374 557038310 /nfs/dbraw/zinc/03/83/10/557038310.db2.gz UHUGCDLMMJRCSB-AREMUKBSSA-N -1 3 430.552 4.494 40 0 IIABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(F)c3)cc2)c1 ZINC000409377906 557093303 /nfs/dbraw/zinc/09/33/03/557093303.db2.gz KJJPINSJPOVIEV-UHFFFAOYSA-N -1 3 428.485 4.261 40 0 IIABHM COc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)c1 ZINC000409380587 557094864 /nfs/dbraw/zinc/09/48/64/557094864.db2.gz OABVRCHBXUMZKL-UHFFFAOYSA-N -1 3 440.521 4.130 40 0 IIABHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000409391337 557096046 /nfs/dbraw/zinc/09/60/46/557096046.db2.gz NFSAONGLTGMNFY-QMMMGPOBSA-N -1 3 425.696 4.091 40 0 IIABHM Cc1cc(C)cc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1 ZINC000409391347 557096226 /nfs/dbraw/zinc/09/62/26/557096226.db2.gz NKXNSMYPDJTSGB-UHFFFAOYSA-N -1 3 428.485 4.261 40 0 IIABHM COc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1 ZINC000409393149 557097278 /nfs/dbraw/zinc/09/72/78/557097278.db2.gz VPPBTRWLVQTJEO-UHFFFAOYSA-N -1 3 446.912 4.167 40 0 IIABHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)OCc1ccc(Cl)cc1Cl ZINC000016385615 557154692 /nfs/dbraw/zinc/15/46/92/557154692.db2.gz DCDGHQRRAKVLLF-UHFFFAOYSA-N -1 3 443.135 4.322 40 0 IIABHM CCOc1ccc(Br)c([C@H]2Nc3ccccc3[C@H]3C(=O)[N-]C(SC)=NN23)c1 ZINC000588229395 557155957 /nfs/dbraw/zinc/15/59/57/557155957.db2.gz ZSZWMTRMMNIYND-IRXDYDNUSA-N -1 3 447.358 4.079 40 0 IIABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)COc2ccc(F)cc2)cc1 ZINC000109072589 557344579 /nfs/dbraw/zinc/34/45/79/557344579.db2.gz PNIFIUBVRMOSIK-UHFFFAOYSA-N -1 3 428.485 4.261 40 0 IIABHM Cc1nc(N2CCN(c3ccc(Cl)cc3)CC2)[n-]c(=O)c1Cc1ccc(Cl)cc1 ZINC000017096377 557488589 /nfs/dbraw/zinc/48/85/89/557488589.db2.gz BIECHLLSROFPBQ-UHFFFAOYSA-N -1 3 429.351 4.303 40 0 IIABHM O=C(NCCOc1ccccc1Cl)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000223964549 557535685 /nfs/dbraw/zinc/53/56/85/557535685.db2.gz PDBBYJLTYHXXAD-UHFFFAOYSA-N -1 3 448.903 4.089 40 0 IIABHM CCOc1cccc(CN(C)C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)c1 ZINC000224080043 557557561 /nfs/dbraw/zinc/55/75/61/557557561.db2.gz XHZCMDRIBIGKQG-UHFFFAOYSA-N -1 3 442.512 4.297 40 0 IIABHM Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)cc1C ZINC000224544577 557619581 /nfs/dbraw/zinc/61/95/81/557619581.db2.gz SGIFAIDICXCNPV-UHFFFAOYSA-N -1 3 428.485 4.261 40 0 IIABHM Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3ccccc3)cc2)cc1C ZINC000224545400 557619868 /nfs/dbraw/zinc/61/98/68/557619868.db2.gz BHNDGJYYJPPLDD-UHFFFAOYSA-N -1 3 430.551 4.046 40 0 IIABHM Cc1ccc(C)c(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)c1 ZINC000224551849 557621685 /nfs/dbraw/zinc/62/16/85/557621685.db2.gz GSPIRHKFLSVBHS-UHFFFAOYSA-N -1 3 428.485 4.261 40 0 IIABHM Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])nc1 ZINC000224594382 557628676 /nfs/dbraw/zinc/62/86/76/557628676.db2.gz DRQYUUOQRJBNGE-GOTSBHOMSA-N -1 3 427.533 4.458 40 0 IIABHM COc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)c1OC ZINC000225045141 557682434 /nfs/dbraw/zinc/68/24/34/557682434.db2.gz QBNXYEUVCQGZTH-UHFFFAOYSA-N -1 3 446.912 4.410 40 0 IIABHM CC(C)Oc1ccc(NC(=O)C2([N-]S(=O)(=O)c3cccs3)CC2)c2ccccc12 ZINC000225930514 557793954 /nfs/dbraw/zinc/79/39/54/557793954.db2.gz ICUIGRYOUPPDNS-UHFFFAOYSA-N -1 3 430.551 4.138 40 0 IIABHM O=C(c1ccc(F)cc1)N1CCc2nc([C@H]3CCCN3C[C@@H]3CC=CCC3)[n-]c(=O)c2C1 ZINC000247962893 569206714 /nfs/dbraw/zinc/20/67/14/569206714.db2.gz YGXGUXDMZNXTPE-VGOFRKELSA-N -1 3 436.531 4.013 40 0 IIABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)c1 ZINC000035124845 569248283 /nfs/dbraw/zinc/24/82/83/569248283.db2.gz MBZYTFMYPBWTTA-UHFFFAOYSA-N -1 3 428.485 4.261 40 0 IIABHM O=C(CSc1nc(-c2cc(Br)ccc2[O-])n[nH]1)Nc1ccc(Cl)cc1 ZINC000038161289 569248758 /nfs/dbraw/zinc/24/87/58/569248758.db2.gz WJPWNGRKBIQCRJ-UHFFFAOYSA-N -1 3 439.722 4.324 40 0 IIABHM O=C(CSc1n[nH]c(-c2cc(Br)ccc2[O-])n1)Nc1ccc(Cl)cc1 ZINC000038161289 569248759 /nfs/dbraw/zinc/24/87/59/569248759.db2.gz WJPWNGRKBIQCRJ-UHFFFAOYSA-N -1 3 439.722 4.324 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCC3=CCCCC3)cc2)cc1C ZINC000107875021 569251454 /nfs/dbraw/zinc/25/14/54/569251454.db2.gz TWILFGVTNKMOFY-UHFFFAOYSA-N -1 3 442.581 4.490 40 0 IIABHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2)cc1 ZINC000012285177 524394828 /nfs/dbraw/zinc/39/48/28/524394828.db2.gz FOSNTVDHSDNFAX-FSSWDIPSSA-N -1 3 434.879 4.400 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccccc3)cc2)cc1Cl ZINC000408587518 555937911 /nfs/dbraw/zinc/93/79/11/555937911.db2.gz DJKSMZPXAAIWAX-UHFFFAOYSA-N -1 3 444.940 4.144 40 0 IIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3)c(C)c2)cc1 ZINC000408675259 556067270 /nfs/dbraw/zinc/06/72/70/556067270.db2.gz UGXINFLYYGGNLT-UHFFFAOYSA-N -1 3 440.521 4.212 40 0 IIABHM COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000408679534 556074133 /nfs/dbraw/zinc/07/41/33/556074133.db2.gz NLZGEWITRWYEKM-KRWDZBQOSA-N -1 3 440.521 4.210 40 0 IIABHM COc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cc1 ZINC000408703854 556111270 /nfs/dbraw/zinc/11/12/70/556111270.db2.gz ZSMLSVABCFPBLJ-QGZVFWFLSA-N -1 3 440.521 4.210 40 0 IIABHM CS(=O)(=O)[N-]c1ccc(C(=O)NCCSCc2cccc(Cl)c2)c(Cl)c1 ZINC000030754259 556504173 /nfs/dbraw/zinc/50/41/73/556504173.db2.gz CYKHZQUWNOIWTM-UHFFFAOYSA-N -1 3 433.382 4.028 40 0 IIABHM COc1ccc(OC)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)c1 ZINC000038756547 556618240 /nfs/dbraw/zinc/61/82/40/556618240.db2.gz NRDMDDBDYAGRAK-UHFFFAOYSA-N -1 3 446.912 4.410 40 0 IIABHM COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2)c1 ZINC000101020148 556644972 /nfs/dbraw/zinc/64/49/72/556644972.db2.gz WOETXSICZKRVLL-FSSWDIPSSA-N -1 3 434.879 4.400 40 0 IIABHM O=C(Cc1ccccc1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1cccs1)C2 ZINC000019370223 556747850 /nfs/dbraw/zinc/74/78/50/556747850.db2.gz JXDSIQMYQWZVBB-QFIPXVFZSA-N -1 3 448.592 4.098 40 0 IIABHM CCOCc1cc(CN2CCCC[C@H]2c2cc(=O)[n-]c(-c3cccnc3)n2)ccc1OC ZINC000019531157 556791745 /nfs/dbraw/zinc/79/17/45/556791745.db2.gz QDRKEIAGVVNACZ-QFIPXVFZSA-N -1 3 434.540 4.104 40 0 IIABHM CSCC[C@H](NC(=O)c1ccc2[nH]c(C)c(C)c2c1)c1cc(=O)[n-]c(-c2cccnc2)n1 ZINC000019576821 556815210 /nfs/dbraw/zinc/81/52/10/556815210.db2.gz YTHJGOOPUXUPKV-FQEVSTJZSA-N -1 3 447.564 4.154 40 0 IIABHM CCCCN1C(=O)S/C(=C\c2cc(I)c([O-])c(OCC)c2)C1=O ZINC000409052329 556933675 /nfs/dbraw/zinc/93/36/75/556933675.db2.gz CQQWTUMKYIBTIT-LCYFTJDESA-N -1 3 447.294 4.232 40 0 IIABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)Nc1cc(F)ccc1F ZINC000020022355 556965639 /nfs/dbraw/zinc/96/56/39/556965639.db2.gz ABDJYJBYNNFOFU-UHFFFAOYSA-N -1 3 432.448 4.092 40 0 IIABHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(C)cc2)cc1 ZINC000020766096 557128136 /nfs/dbraw/zinc/12/81/36/557128136.db2.gz GRGOYGKUMWDUNH-UHFFFAOYSA-N -1 3 436.533 4.397 40 0 IIABHM CCC(=O)N1CCc2nc3cc([C@H]4CCCCN4Cc4ccc(C)c(C)c4)[n-]n3c(=O)c2C1 ZINC000100243241 557255789 /nfs/dbraw/zinc/25/57/89/557255789.db2.gz FOPLRSJUEQXIOJ-HSZRJFAPSA-N -1 3 447.583 4.074 40 0 IIABHM COc1ccc([C@H]2CC(=O)c3c[n-]c4nn(-c5nc6ccccc6s5)c(=O)c-4c3C2)cc1 ZINC000013639613 557385000 /nfs/dbraw/zinc/38/50/00/557385000.db2.gz XBJCMVNTAABSTO-CQSZACIVSA-N -1 3 442.500 4.245 40 0 IIABHM COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(OC)cc3)cc2)cc1 ZINC000013913875 557395861 /nfs/dbraw/zinc/39/58/61/557395861.db2.gz HLPFFWPILVAEEN-FZSIALSZSA-N -1 3 438.505 4.157 40 0 IIABHM O=C(CSc1n[n-]c(COc2ccccc2F)n1)Nc1ccccc1C(F)(F)F ZINC000014152643 557423607 /nfs/dbraw/zinc/42/36/07/557423607.db2.gz KTCFBKBAMBYFBX-UHFFFAOYSA-N -1 3 426.395 4.272 40 0 IIABHM Cc1nc(N2CCN(c3ccc(Cl)cc3)CC2)[n-]c(=O)c1Cc1cccc(Cl)c1 ZINC000014162193 557427748 /nfs/dbraw/zinc/42/77/48/557427748.db2.gz FABPUNRYVHYFCP-UHFFFAOYSA-N -1 3 429.351 4.303 40 0 IIABHM Cc1nc(N2CCN(c3ccccc3F)CC2)[n-]c(=O)c1Cc1cccc2ccccc21 ZINC000014162211 557427756 /nfs/dbraw/zinc/42/77/56/557427756.db2.gz RCLVSSAGMQCUEM-UHFFFAOYSA-N -1 3 428.511 4.288 40 0 IIABHM O=C1[C@@H]2C(=C([O-])N1c1cccc(C(F)(F)F)c1)ON(c1ccccc1)[C@H]2c1ccncc1 ZINC000137713413 557459842 /nfs/dbraw/zinc/45/98/42/557459842.db2.gz OYAYTABGNJMOJJ-UFYCRDLUSA-N -1 3 439.393 4.152 40 0 IIABHM Cc1cccc(CS(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)c1 ZINC000224547409 557620447 /nfs/dbraw/zinc/62/04/47/557620447.db2.gz QNSKERCOQNRSGQ-UHFFFAOYSA-N -1 3 444.578 4.355 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N4CCCC4=O)cc3)cc2)cc1 ZINC000224557220 557622993 /nfs/dbraw/zinc/62/29/93/557622993.db2.gz JSWHAQTWABRXRE-UHFFFAOYSA-N -1 3 449.532 4.175 40 0 IIABHM CC[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(C)cc2)s1)c1ccc(C)cc1C ZINC000224575621 557626131 /nfs/dbraw/zinc/62/61/31/557626131.db2.gz UIKBORGOROXADR-SFHVURJKSA-N -1 3 444.582 4.145 40 0 IIABHM [O-]c1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(O)cc1 ZINC000224613248 557630930 /nfs/dbraw/zinc/63/09/30/557630930.db2.gz ZFDJWUONDBBKNH-DHIUTWEWSA-N -1 3 428.517 4.461 40 0 IIABHM COCCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1cc(Cl)ccc1[O-] ZINC000224865133 557660044 /nfs/dbraw/zinc/66/00/44/557660044.db2.gz SOIHWTXQWZXFGD-VQTJNVASSA-N -1 3 428.945 4.066 40 0 IIABHM CCCn1c2ccc(S(=O)(=O)[N-]c3ccccc3Br)cc2sc1=O ZINC000225722473 557768571 /nfs/dbraw/zinc/76/85/71/557768571.db2.gz YXQGBOWHMBJGDO-UHFFFAOYSA-N -1 3 427.345 4.036 40 0 IIABHM CC(C)COc1ccc(NC(=O)C2([N-]S(=O)(=O)c3cccs3)CC2)c2ccccc12 ZINC000225930572 557793887 /nfs/dbraw/zinc/79/38/87/557793887.db2.gz SZDNWCONHNWWGT-UHFFFAOYSA-N -1 3 444.578 4.386 40 0 IIABHM CCc1cccc(CC)c1NC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000033714511 557809122 /nfs/dbraw/zinc/80/91/22/557809122.db2.gz IGXQYBGMEOCOQQ-LBPRGKRZSA-N -1 3 429.369 4.424 40 0 IIABHM CCN1c2ccc(S(=O)(=O)[N-]c3ccccc3Br)c3cccc(c23)C1=O ZINC000001448653 568909064 /nfs/dbraw/zinc/90/90/64/568909064.db2.gz ALWJLUJUOMFCTI-UHFFFAOYSA-N -1 3 431.311 4.383 40 0 IIABHM Cc1cc(NC(=S)NC(=O)c2ccc(Br)cc2)cc(Br)c1[O-] ZINC000226243732 569177874 /nfs/dbraw/zinc/17/78/74/569177874.db2.gz AIDFAQPOUTXPAV-UHFFFAOYSA-N -1 3 444.148 4.352 40 0 IIABHM O=C(c1ccc(F)cc1)N1CCc2nc([C@@H]3CCCN3C[C@@H]3CC=CCC3)[n-]c(=O)c2C1 ZINC000247962898 569206701 /nfs/dbraw/zinc/20/67/01/569206701.db2.gz YGXGUXDMZNXTPE-VGSWGCGISA-N -1 3 436.531 4.013 40 0 IIABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CSCc3ccccc3)cc2)cc1 ZINC000015439129 569225477 /nfs/dbraw/zinc/22/54/77/569225477.db2.gz ZXFDCPMQTGUNBH-UHFFFAOYSA-N -1 3 442.562 4.368 40 0 IIABHM COc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)c1 ZINC000015529237 569225527 /nfs/dbraw/zinc/22/55/27/569225527.db2.gz OXDAVQASMXACFR-UHFFFAOYSA-N -1 3 440.521 4.374 40 0 IIABHM COc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)cc2)c1 ZINC000033726052 569246248 /nfs/dbraw/zinc/24/62/48/569246248.db2.gz JTVRXSCQFFNGPN-UHFFFAOYSA-N -1 3 440.521 4.130 40 0 IIABHM CCCc1nc(C(C)(C)O)c(C(C)=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000065748293 569297099 /nfs/dbraw/zinc/29/70/99/569297099.db2.gz HXBOGIAKDFTLIE-UHFFFAOYSA-N -1 3 444.539 4.161 40 0 in-vitro IIABHM CCCc1nc(C(C)(C)O)c(C(C)=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000065748293 569297100 /nfs/dbraw/zinc/29/71/00/569297100.db2.gz HXBOGIAKDFTLIE-UHFFFAOYSA-N -1 3 444.539 4.161 40 0 in-vitro IIABHM COc1ccc(CCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)cc1 ZINC000022521926 523969877 /nfs/dbraw/zinc/96/98/77/523969877.db2.gz RMPADBYZOQVCQJ-UHFFFAOYSA-N -1 3 444.940 4.122 40 0 IIABHM COc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2C)c1 ZINC000035153221 555914552 /nfs/dbraw/zinc/91/45/52/555914552.db2.gz GUSCQNJYZUELNY-UHFFFAOYSA-N -1 3 440.521 4.130 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccccc3)c(C)c2)cc1C ZINC000408675138 556066647 /nfs/dbraw/zinc/06/66/47/556066647.db2.gz SSWYCFOHDZTDCG-UHFFFAOYSA-N -1 3 438.549 4.108 40 0 IIABHM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1C(=O)N1CCCCC1 ZINC000408693108 556093223 /nfs/dbraw/zinc/09/32/23/556093223.db2.gz HMKNAODFCKNKFT-UHFFFAOYSA-N -1 3 443.352 4.429 40 0 IIABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3sc(C(=O)N4CCCC4)cc3c2)cc1 ZINC000408713436 556130408 /nfs/dbraw/zinc/13/04/08/556130408.db2.gz YQWYHUHVSDSXSO-UHFFFAOYSA-N -1 3 430.551 4.337 40 0 IIABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3cccc(C)c3C)cc2)cc1 ZINC000015439022 556528191 /nfs/dbraw/zinc/52/81/91/556528191.db2.gz DHYSNQOAVSRUBB-UHFFFAOYSA-N -1 3 440.521 4.130 40 0 IIABHM CCOC(=O)c1ccc([N-]S(=O)(=O)Cc2ccc(Br)cc2)c(Cl)c1 ZINC000044885897 556675593 /nfs/dbraw/zinc/67/55/93/556675593.db2.gz NYJXCQANRYQVLN-UHFFFAOYSA-N -1 3 432.723 4.221 40 0 IIABHM Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc(=O)[n-]1 ZINC000019214201 556711112 /nfs/dbraw/zinc/71/11/12/556711112.db2.gz XXXBYWQSZFOXCQ-HXOBKFHXSA-N -1 3 444.535 4.044 40 0 IIABHM CCCC[C@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C([O-])=C2ON1c1ccccc1 ZINC000013750159 556725533 /nfs/dbraw/zinc/72/55/33/556725533.db2.gz HZCHVXGZXPEOCQ-OTWHNJEPSA-N -1 3 429.314 4.318 40 0 IIABHM CCOc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000013804569 556743022 /nfs/dbraw/zinc/74/30/22/556743022.db2.gz HQSPYXVGXOZEBV-VABKMULXSA-N -1 3 432.451 4.276 40 0 IIABHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc(F)c2)cc1 ZINC000013803665 556743168 /nfs/dbraw/zinc/74/31/68/556743168.db2.gz GLVBQKOMRGPEFT-VJBWXMMDSA-N -1 3 432.451 4.276 40 0 IIABHM O=C(Cc1ccccc1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCCC1)C2 ZINC000019370221 556747829 /nfs/dbraw/zinc/74/78/29/556747829.db2.gz RACWTOWUZKAZOW-HSZRJFAPSA-N -1 3 434.584 4.169 40 0 IIABHM CC(C)c1nc(C[C@@H](NC(=O)C2(c3ccccc3)CCOCC2)c2ccccc2)cc(=O)[n-]1 ZINC000019453542 556763906 /nfs/dbraw/zinc/76/39/06/556763906.db2.gz LZWNNWKACUBCEK-HSZRJFAPSA-N -1 3 445.563 4.042 40 0 IIABHM CCOc1ccccc1CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000059580654 556802501 /nfs/dbraw/zinc/80/25/01/556802501.db2.gz METJXBTWQUXCED-UHFFFAOYSA-N -1 3 442.512 4.297 40 0 IIABHM CSCC[C@@H](NC(=O)c1oc2ccccc2c1C)c1cc(=O)[n-]c(-c2cccnc2)n1 ZINC000019566247 556806848 /nfs/dbraw/zinc/80/68/48/556806848.db2.gz OCSAXSQXPRHLCE-QGZVFWFLSA-N -1 3 434.521 4.111 40 0 IIABHM Cc1cc(C)cc(O[C@@H](C)C(=O)N[C@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C)n2)c1 ZINC000019569768 556809850 /nfs/dbraw/zinc/80/98/50/556809850.db2.gz CXXRLRPZOXHBBU-GAJHUEQPSA-N -1 3 444.535 4.044 40 0 IIABHM C[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)COc1ccc(Cl)cc1Cl)N2 ZINC000409054741 556938239 /nfs/dbraw/zinc/93/82/39/556938239.db2.gz BGVHJEKVIUPFCW-ZYSBLVPFSA-N -1 3 425.234 4.258 40 0 IIABHM COc1cc(/C=C2\SC(=O)N(c3ccccc3OC)C2=O)cc(Br)c1[O-] ZINC000409062725 556940129 /nfs/dbraw/zinc/94/01/29/556940129.db2.gz ZTJCMVBSQXOYMN-DHDCSXOGSA-N -1 3 436.283 4.413 40 0 IIABHM CCCCOC(=O)c1ccc(NC(=O)Cc2cnc(-c3ccc(Cl)cc3)[n-]c2=O)cc1 ZINC000019937706 556951345 /nfs/dbraw/zinc/95/13/45/556951345.db2.gz OMBUHSUWKZNPMI-UHFFFAOYSA-N -1 3 439.899 4.228 40 0 IIABHM C[C@@H](NC(=O)Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O)c1cccc(Br)c1 ZINC000019937736 556951738 /nfs/dbraw/zinc/95/17/38/556951738.db2.gz OOOFYZQIDUWCAH-GFCCVEGCSA-N -1 3 446.732 4.273 40 0 IIABHM COc1ccc(C(=O)N2NC3=C(C[C@@H](C(C)(C)C)CC3)[C@@]2([O-])C(F)(F)F)cc1OC ZINC000409101098 556955568 /nfs/dbraw/zinc/95/55/68/556955568.db2.gz VFKHLMOALMQWAV-LRDNONRASA-N -1 3 428.451 4.229 40 0 IIABHM CCCn1ncc(CN2CCC(C[C@@H]3CC(c4ccc(C)cc4)=NO3)(C(=O)[O-])CC2)c1C ZINC000072389737 556959989 /nfs/dbraw/zinc/95/99/89/556959989.db2.gz IMSLJKYRCDSNIN-QFIPXVFZSA-N -1 3 438.572 4.160 40 0 IIABHM CCc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Cl)c([O-])c(OC)c3)C2=O)cc1 ZINC000409179154 556987645 /nfs/dbraw/zinc/98/76/45/556987645.db2.gz PNCCXLXHXGZSET-YVLHZVERSA-N -1 3 446.912 4.292 40 0 IIABHM COc1ccccc1CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000216385406 557145015 /nfs/dbraw/zinc/14/50/15/557145015.db2.gz QWGPZLKERNMXCW-UHFFFAOYSA-N -1 3 444.940 4.422 40 0 IIABHM COc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4Cl)C([O-])=C3ON2c2ccccc2)cc1 ZINC000097743287 557223468 /nfs/dbraw/zinc/22/34/68/557223468.db2.gz KHWAVBYANPTJJF-FSSWDIPSSA-N -1 3 434.879 4.400 40 0 IIABHM O=C(NC(=S)Nc1ccc([O-])c(-c2nc3ccccc3o2)c1)c1ccc2nsnc2c1 ZINC000057313313 557244571 /nfs/dbraw/zinc/24/45/71/557244571.db2.gz HQWBBCOEHOLMMC-UHFFFAOYSA-N -1 3 447.501 4.332 40 0 IIABHM CC(=O)N1CCc2nc3cc([C@@H]4CCCCN4Cc4ccc(C(C)C)cc4)[n-]n3c(=O)c2C1 ZINC000100242922 557254517 /nfs/dbraw/zinc/25/45/17/557254517.db2.gz GRCGGCFAZSHVOM-DEOSSOPVSA-N -1 3 447.583 4.190 40 0 IIABHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@@H]2c1cccnc1 ZINC000102728209 557306413 /nfs/dbraw/zinc/30/64/13/557306413.db2.gz FYHTYUXWMHZIRA-AQNXPRMDSA-N -1 3 440.286 4.440 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)c3ccc(C)c(C)c3)cc2)cc1 ZINC000222675245 557372269 /nfs/dbraw/zinc/37/22/69/557372269.db2.gz FLHCCIOQFAOWFV-UHFFFAOYSA-N -1 3 438.549 4.454 40 0 IIABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)c3ccc(C)c(C)c3)cc2)c1 ZINC000222692448 557374747 /nfs/dbraw/zinc/37/47/47/557374747.db2.gz PFDQTNRAEYNCCZ-UHFFFAOYSA-N -1 3 438.549 4.454 40 0 IIABHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(C)cc2)cc1 ZINC000101168030 557416197 /nfs/dbraw/zinc/41/61/97/557416197.db2.gz AWTVSNZKEXJBJA-SMIHKQSGSA-N -1 3 428.488 4.445 40 0 IIABHM CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000014024174 557419772 /nfs/dbraw/zinc/41/97/72/557419772.db2.gz RSRKUOWRSKZABY-JOCHJYFZSA-N -1 3 440.521 4.292 40 0 IIABHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1I ZINC000014155713 557427368 /nfs/dbraw/zinc/42/73/68/557427368.db2.gz FGYLELVQFLTWML-UHFFFAOYSA-N -1 3 437.686 4.062 40 0 IIABHM Cc1ccc(C(=O)N2CCc3cc(S(=O)(=O)[N-]c4ccc(F)cc4F)ccc32)cc1 ZINC000223375817 557464603 /nfs/dbraw/zinc/46/46/03/557464603.db2.gz ABTPRPTYQRPCOI-UHFFFAOYSA-N -1 3 428.460 4.277 40 0 IIABHM O=C1c2ccccc2-c2nc(N3CCN(c4ccccc4)CC3)nc(-c3ccc([O-])cc3)c21 ZINC000017098858 557481938 /nfs/dbraw/zinc/48/19/38/557481938.db2.gz MRYINJPEQBBWKS-UHFFFAOYSA-N -1 3 434.499 4.387 40 0 IIABHM CC(C)c1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc(Br)cc3)n2)cc1 ZINC000223580388 557488435 /nfs/dbraw/zinc/48/84/35/557488435.db2.gz OZHRCMWXSTUGPX-UHFFFAOYSA-N -1 3 436.331 4.101 40 0 IIABHM COc1ccc(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(OC)cc3)c2)cc1 ZINC000224057769 557553004 /nfs/dbraw/zinc/55/30/04/557553004.db2.gz OCZLZZBLUXOSET-UHFFFAOYSA-N -1 3 426.494 4.065 40 0 IIABHM O=C(CSCc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000224535477 557617782 /nfs/dbraw/zinc/61/77/82/557617782.db2.gz DNBBOSADMYSNOV-UHFFFAOYSA-N -1 3 430.526 4.498 40 0 IIABHM Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)c1 ZINC000224543901 557619532 /nfs/dbraw/zinc/61/95/32/557619532.db2.gz DTGHTOUHZPSUKN-MRXNPFEDSA-N -1 3 428.485 4.341 40 0 IIABHM CSc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2)cc1C(=O)N1CCCC1 ZINC000224921605 557667345 /nfs/dbraw/zinc/66/73/45/557667345.db2.gz AWFBRDVDYOHLCT-UHFFFAOYSA-N -1 3 445.610 4.046 40 0 IIABHM COc1cc(C(=O)[O-])ccc1OCCCN1CCC(c2noc3cc(F)ccc32)CC1 ZINC000077301176 568784853 /nfs/dbraw/zinc/78/48/53/568784853.db2.gz AXUKEZOJOPXXTB-UHFFFAOYSA-N -1 3 428.460 4.322 40 0 in-vitro IIABHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)c(C)c1 ZINC000002753379 568789175 /nfs/dbraw/zinc/78/91/75/568789175.db2.gz PVGUSJSAJUZJHY-UHFFFAOYSA-N -1 3 438.505 4.394 40 0 IIABHM Cc1ccsc1CN1CCc2nc([C@H]3CCCN3C(=O)[C@@H]3CC=CCC3)[n-]c(=O)c2C1 ZINC000253598607 569209098 /nfs/dbraw/zinc/20/90/98/569209098.db2.gz DTAQOTVZXUPCDE-YLJYHZDGSA-N -1 3 438.597 4.130 40 0 IIABHM Cc1ccsc1CN1CCc2c(=O)[n-]c([C@@H]3CCCN3C(=O)[C@@H]3CC=CCC3)nc2C1 ZINC000253599037 569209135 /nfs/dbraw/zinc/20/91/35/569209135.db2.gz KFOLRBSZZKGQOJ-XLIONFOSSA-N -1 3 438.597 4.130 40 0 IIABHM CCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)cc1 ZINC000033510622 569244242 /nfs/dbraw/zinc/24/42/42/569244242.db2.gz CSDLTWPAPHSBOL-UHFFFAOYSA-N -1 3 440.521 4.212 40 0 IIABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(F)c3)cc2)c1 ZINC000034863936 569247833 /nfs/dbraw/zinc/24/78/33/569247833.db2.gz OFKBDJDNZRJHPD-UHFFFAOYSA-N -1 3 428.485 4.261 40 0 IIABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)NC3CCCCCC3)cc2)c1 ZINC000035105038 569248259 /nfs/dbraw/zinc/24/82/59/569248259.db2.gz MIKADSGMDBHZHW-UHFFFAOYSA-N -1 3 430.570 4.322 40 0 IIABHM Cc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c1 ZINC000035175778 569248371 /nfs/dbraw/zinc/24/83/71/569248371.db2.gz UECSZRSTRVKMHT-UHFFFAOYSA-N -1 3 430.913 4.467 40 0 IIABHM CN(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000107787694 569251178 /nfs/dbraw/zinc/25/11/78/569251178.db2.gz WNDDQXKJWPVVFO-UHFFFAOYSA-N -1 3 444.940 4.178 40 0 IIABHM O=c1cc(-c2ccccc2Cl)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[n-]1 ZINC000013611779 132351877 /nfs/dbraw/zinc/35/18/77/132351877.db2.gz XLNMQBZNOOOWTA-UHFFFAOYSA-N -1 3 434.849 4.436 40 0 IIABHM C[C@@H](NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccc(F)cc1 ZINC000022536997 525119335 /nfs/dbraw/zinc/11/93/35/525119335.db2.gz HFTNUJSFXJRDJQ-OAHLLOKOSA-N -1 3 446.475 4.022 40 0 IIABHM Cc1ccc(OC(C)(C)C(=O)N2CCC(c3nc(-c4ccccn4)cc(=O)[n-]3)CC2)cc1 ZINC000012256532 525369431 /nfs/dbraw/zinc/36/94/31/525369431.db2.gz MIBZUZSPUONFEV-UHFFFAOYSA-N -1 3 432.524 4.116 40 0 IIABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000022537333 525423600 /nfs/dbraw/zinc/42/36/00/525423600.db2.gz RNLKPQVBRCZNJL-QGZVFWFLSA-N -1 3 442.512 4.191 40 0 IIABHM COc1ccc([C@H]2N(c3ccccc3)OC3=C([O-])N(c4ccc(OC)cc4)C(=O)[C@]32C)cc1 ZINC000036006959 525428253 /nfs/dbraw/zinc/42/82/53/525428253.db2.gz ACHWGWKDDQUFBY-PLXFJCCSSA-N -1 3 444.487 4.145 40 0 IIABHM COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccccc3)c2)cc1Cl ZINC000408555793 555892650 /nfs/dbraw/zinc/89/26/50/555892650.db2.gz GHMLYPAUBOTINN-UHFFFAOYSA-N -1 3 446.912 4.410 40 0 IIABHM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1NC(=O)c1ccccc1F ZINC000408558482 555897803 /nfs/dbraw/zinc/89/78/03/555897803.db2.gz JFSBLGXNFHTAAU-UHFFFAOYSA-N -1 3 432.448 4.417 40 0 IIABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1C(=O)NCC(C)C ZINC000408596232 555963082 /nfs/dbraw/zinc/96/30/82/555963082.db2.gz TXCZUDSBNOFZQE-UHFFFAOYSA-N -1 3 443.338 4.083 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC3CCCCC3)cc2)cc1Cl ZINC000408597595 555965335 /nfs/dbraw/zinc/96/53/35/555965335.db2.gz ZNBNLCRUDXCVHT-UHFFFAOYSA-N -1 3 436.961 4.277 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCC(C)CC3)cc2)cc1Cl ZINC000408607069 555967394 /nfs/dbraw/zinc/96/73/94/555967394.db2.gz PXLIXACUPXDACH-UHFFFAOYSA-N -1 3 436.961 4.087 40 0 IIABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)N[C@H](C)c1ccccc1 ZINC000408674810 556066142 /nfs/dbraw/zinc/06/61/42/556066142.db2.gz CSUQNZATDWHBEU-QGZVFWFLSA-N -1 3 442.512 4.191 40 0 IIABHM CCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2C)cc1 ZINC000408675327 556069346 /nfs/dbraw/zinc/06/93/46/556069346.db2.gz HORCUAZYIKYFPX-UHFFFAOYSA-N -1 3 440.521 4.212 40 0 IIABHM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1C(=O)N1CCCC1 ZINC000408693081 556093282 /nfs/dbraw/zinc/09/32/82/556093282.db2.gz FYQDIUPWVGJHEP-UHFFFAOYSA-N -1 3 429.325 4.039 40 0 IIABHM CC(C)(CN1CCCCC1)C(=O)C[C@@H](SCCS(=O)(=O)[O-])c1ccc(Cl)cc1 ZINC000008665080 556197629 /nfs/dbraw/zinc/19/76/29/556197629.db2.gz XTBVWNNCEKSYAE-GOSISDBHSA-N -1 3 448.050 4.473 40 0 IIABHM COc1cc(NC(=N)Nc2nc(CSc3ccc(Cl)cc3)cc(=O)[n-]2)cc(OC)c1 ZINC000009935250 556318618 /nfs/dbraw/zinc/31/86/18/556318618.db2.gz MUAFEDRMPSCGPB-UHFFFAOYSA-N -1 3 445.932 4.192 40 0 IIABHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1C(=O)NC(C)C ZINC000010008978 556321199 /nfs/dbraw/zinc/32/11/99/556321199.db2.gz UJXVQCXTCZJRMG-UHFFFAOYSA-N -1 3 440.521 4.427 40 0 IIABHM CCOc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)cc1 ZINC000011239093 556340113 /nfs/dbraw/zinc/34/01/13/556340113.db2.gz MJAXUMJFHVKOFM-UHFFFAOYSA-N -1 3 442.512 4.297 40 0 IIABHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1N1CCCC1=O ZINC000030849171 556508081 /nfs/dbraw/zinc/50/80/81/556508081.db2.gz YDZQYWVSXJWMIJ-UHFFFAOYSA-N -1 3 438.505 4.415 40 0 IIABHM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1)N1CCc2ccccc2C1 ZINC000030851842 556509040 /nfs/dbraw/zinc/50/90/40/556509040.db2.gz OSZAWOQYZOEXEU-UHFFFAOYSA-N -1 3 426.925 4.339 40 0 IIABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)cc2)cc1Cl ZINC000100901550 556599752 /nfs/dbraw/zinc/59/97/52/556599752.db2.gz KIOTYXJJIYNXKL-FKBYEOEOSA-N -1 3 434.879 4.405 40 0 IIABHM Cc1cc(C)c(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)cc2)c(C)c1 ZINC000100901017 556599891 /nfs/dbraw/zinc/59/98/91/556599891.db2.gz QDYNHOKMRBDKAV-XWGVYQGASA-N -1 3 428.488 4.369 40 0 IIABHM CCc1nn2c(ncc3c2ccn([N-]C(=O)c2ccccc2Cl)c3=O)c1-c1ccccc1 ZINC000040387921 556636352 /nfs/dbraw/zinc/63/63/52/556636352.db2.gz QWYLIFKYKLVLSD-UHFFFAOYSA-N -1 3 443.894 4.311 40 0 IIABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)c(Cl)c1 ZINC000044838935 556668073 /nfs/dbraw/zinc/66/80/73/556668073.db2.gz DBWIAZVWPKZMGX-UHFFFAOYSA-N -1 3 449.960 4.026 40 0 IIABHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc(O)c2)cc1 ZINC000013749663 556725525 /nfs/dbraw/zinc/72/55/25/556725525.db2.gz QQENCQLIBAWUEO-HJOGWXRNSA-N -1 3 444.487 4.232 40 0 IIABHM O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000408925335 556891852 /nfs/dbraw/zinc/89/18/52/556891852.db2.gz PGTXGXDUVMRMTM-SWGQDTFXSA-N -1 3 440.452 4.007 40 0 IIABHM O=C(COc1ccc(Cl)cc1Cl)N1NC2=C(CCCCC2)[C@@]1([O-])C(F)(F)F ZINC000408954982 556898983 /nfs/dbraw/zinc/89/89/83/556898983.db2.gz NZYABCJGVSWIPV-BDJLRTHQSA-N -1 3 425.234 4.402 40 0 IIABHM CCOC(=O)c1sc(Nc2nc(CSc3ccc(Cl)cc3)cc(=O)[n-]2)nc1C ZINC000019819584 556922820 /nfs/dbraw/zinc/92/28/20/556922820.db2.gz OOEQFCOCJPNMRB-UHFFFAOYSA-N -1 3 436.946 4.401 40 0 IIABHM COc1cc(/C=C2\Sc3ccccc3NC2=O)cc(I)c1[O-] ZINC000409093563 556949513 /nfs/dbraw/zinc/94/95/13/556949513.db2.gz ARDNZAUUKYYTOV-ZSOIEALJSA-N -1 3 425.247 4.091 40 0 IIABHM COc1ccc(C(=O)N2NC3=C(C[C@@H](C(C)(C)C)CC3)[C@@]2([O-])C(F)(F)F)cc1OC ZINC000409101100 556955533 /nfs/dbraw/zinc/95/55/33/556955533.db2.gz VFKHLMOALMQWAV-PJSUUKDQSA-N -1 3 428.451 4.229 40 0 IIABHM CCCn1ncc(CN2CCC(C[C@H]3CC(c4ccccc4C)=NO3)(C(=O)[O-])CC2)c1C ZINC000072389726 556959828 /nfs/dbraw/zinc/95/98/28/556959828.db2.gz VGBBNZXIFKXXAD-OAQYLSRUSA-N -1 3 438.572 4.160 40 0 IIABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N[C@H]1CCCc2ccccc21 ZINC000020019925 556964167 /nfs/dbraw/zinc/96/41/67/556964167.db2.gz PQTYUGCAQOEQPK-QHCPKHFHSA-N -1 3 436.533 4.060 40 0 IIABHM COC(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)cc1 ZINC000020104449 556981337 /nfs/dbraw/zinc/98/13/37/556981337.db2.gz YDVUFIDQSAKHDR-UHFFFAOYSA-N -1 3 444.896 4.180 40 0 IIABHM Cc1cccc(C(=O)N2CC[C@]3(C2)c2cccn2-c2ncccc2N3CCC(C)C)c1[O-] ZINC000585107375 557038341 /nfs/dbraw/zinc/03/83/41/557038341.db2.gz UHUGCDLMMJRCSB-SANMLTNESA-N -1 3 430.552 4.494 40 0 IIABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)cc3F)cc2)c1 ZINC000409375635 557087163 /nfs/dbraw/zinc/08/71/63/557087163.db2.gz NIHXQTFOADAVQB-UHFFFAOYSA-N -1 3 446.475 4.400 40 0 IIABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)c1 ZINC000409374874 557090449 /nfs/dbraw/zinc/09/04/49/557090449.db2.gz AUVWYDXDFXUZAK-UHFFFAOYSA-N -1 3 428.485 4.261 40 0 IIABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)Nc1ccc(Cl)cc1 ZINC000409389030 557100495 /nfs/dbraw/zinc/10/04/95/557100495.db2.gz GBMPUXZTMVLJEB-UHFFFAOYSA-N -1 3 434.876 4.297 40 0 IIABHM Cc1cc(NC(=S)NC(=O)c2ccc3c(c2)OCO3)cc(-c2nc3ccccc3o2)c1[O-] ZINC000010003919 557200603 /nfs/dbraw/zinc/20/06/03/557200603.db2.gz HQVWJEWUEBUJNI-UHFFFAOYSA-N -1 3 447.472 4.364 40 0 IIABHM CCc1ccccc1NC(=O)C(=O)C(=C([O-])c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000102933700 557310137 /nfs/dbraw/zinc/31/01/37/557310137.db2.gz KHSCGJATQXQZQI-HSZRJFAPSA-N -1 3 431.488 4.441 40 0 IIABHM Cc1cccc(CNC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)cc2)c1 ZINC000222693729 557374738 /nfs/dbraw/zinc/37/47/38/557374738.db2.gz ZRNKIUWFNXZKIM-UHFFFAOYSA-N -1 3 438.549 4.108 40 0 IIABHM COc1ccc(Br)cc1S(=O)(=O)[N-]CCOc1ccccc1C(C)(C)C ZINC000223738599 557507641 /nfs/dbraw/zinc/50/76/41/557507641.db2.gz NXHIFILOZVYOSZ-UHFFFAOYSA-N -1 3 442.375 4.113 40 0 IIABHM Cc1ccccc1OCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000224408224 557602970 /nfs/dbraw/zinc/60/29/70/557602970.db2.gz WITMVOAPJNDOPG-UHFFFAOYSA-N -1 3 444.940 4.258 40 0 IIABHM Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3cccc(C)c3)cc2)cc1 ZINC000224547543 557620517 /nfs/dbraw/zinc/62/05/17/557620517.db2.gz CVWGIXGDZQKVRF-UHFFFAOYSA-N -1 3 430.551 4.046 40 0 IIABHM Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000224558540 557623208 /nfs/dbraw/zinc/62/32/08/557623208.db2.gz NHFPWCLOXIWMQT-INIZCTEOSA-N -1 3 428.485 4.341 40 0 IIABHM O=C(COc1ccccc1F)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000224571884 557625563 /nfs/dbraw/zinc/62/55/63/557625563.db2.gz KULGTCKLOITKPF-UHFFFAOYSA-N -1 3 434.876 4.297 40 0 IIABHM CC1(C)Oc2ccccc2[C@H]2O[C@H]3CCCN(Cc4ccc(OCC(=O)[O-])cc4)[C@H]3C[C@@H]21 ZINC000257218707 568673681 /nfs/dbraw/zinc/67/36/81/568673681.db2.gz DEEOXQDMJFXMMN-FZZWXMEGSA-N -1 3 437.536 4.432 40 0 IIABHM COc1ccc(C(=O)NC(=S)Nc2cc(C)c([O-])c(Br)c2)cc1Cl ZINC000226244000 569177809 /nfs/dbraw/zinc/17/78/09/569177809.db2.gz GEHYNRBTTSKLIO-UHFFFAOYSA-N -1 3 429.723 4.252 40 0 IIABHM Cc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000033743791 569246499 /nfs/dbraw/zinc/24/64/99/569246499.db2.gz YEHCDWVDNAKYOR-UHFFFAOYSA-N -1 3 430.913 4.467 40 0 IIABHM COc1ccc(C)cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1 ZINC000108254545 569252911 /nfs/dbraw/zinc/25/29/11/569252911.db2.gz LDEIVWIHFKPYLV-UHFFFAOYSA-N -1 3 440.521 4.130 40 0 IIABHM Cc1ccc(CNC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1 ZINC000108983666 569253324 /nfs/dbraw/zinc/25/33/24/569253324.db2.gz WKDUMQHXOKFXOH-UHFFFAOYSA-N -1 3 444.940 4.144 40 0 IIABHM COc1ccc(-c2nc(C3CCN(Cc4ccc(OC(C)=O)cc4)CC3)cc(=O)[n-]2)cc1 ZINC000012219609 523225070 /nfs/dbraw/zinc/22/50/70/523225070.db2.gz SYSUQGFENSUVBZ-UHFFFAOYSA-N -1 3 433.508 4.163 40 0 IIABHM C[C@H]1Cc2ccccc2N1C(=O)CSc1nnc([N-]C(=O)c2ccc(F)cc2F)s1 ZINC000035314050 524990306 /nfs/dbraw/zinc/99/03/06/524990306.db2.gz XGVHDPCDRVPZQZ-NSHDSACASA-N -1 3 446.504 4.139 40 0 IIABHM CCS(=O)(=O)[N-]c1ccc(-c2nnc(SCC(=O)c3ccc(C)c(C)c3)o2)cc1 ZINC000034791460 555508983 /nfs/dbraw/zinc/50/89/83/555508983.db2.gz MHTXCOGLJVYJJG-UHFFFAOYSA-N -1 3 431.539 4.090 40 0 IIABHM CCOC(=O)[C@@]([N-]c1ccccc1)(NC(=O)c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000002188002 555755812 /nfs/dbraw/zinc/75/58/12/555755812.db2.gz QBVZMSUGTBJPQH-QGZVFWFLSA-N -1 3 434.336 4.369 40 0 IIABHM CS(=O)(=O)[N-]c1ccc(C(=O)NCCSCc2ccc(Cl)cc2Cl)cc1 ZINC000408548141 555802815 /nfs/dbraw/zinc/80/28/15/555802815.db2.gz PRJIMZSNDQHILV-UHFFFAOYSA-N -1 3 433.382 4.028 40 0 IIABHM COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccccc3C)c2)cc1 ZINC000408556017 555893395 /nfs/dbraw/zinc/89/33/95/555893395.db2.gz BWBWQXLLBJNEGH-UHFFFAOYSA-N -1 3 426.494 4.065 40 0 IIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccc(C)cc3)c2)cc1 ZINC000408561825 555904472 /nfs/dbraw/zinc/90/44/72/555904472.db2.gz VSPGTEWELMSCAY-UHFFFAOYSA-N -1 3 440.521 4.455 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccccc3)c(Cl)c2)cc1 ZINC000408584788 555934758 /nfs/dbraw/zinc/93/47/58/555934758.db2.gz VBIFEQXIXBHWPP-UHFFFAOYSA-N -1 3 444.940 4.144 40 0 IIABHM CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1 ZINC000408586317 555938842 /nfs/dbraw/zinc/93/88/42/555938842.db2.gz BCTQPTMFDUJMHD-LBPRGKRZSA-N -1 3 431.341 4.086 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCC(C)CC3)c(Cl)c2)cc1 ZINC000408587092 555939798 /nfs/dbraw/zinc/93/97/98/555939798.db2.gz BIGYQVPAEFACMD-UHFFFAOYSA-N -1 3 436.961 4.087 40 0 IIABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)c1 ZINC000035387215 556091127 /nfs/dbraw/zinc/09/11/27/556091127.db2.gz GZLNGQFXKCIKKT-UHFFFAOYSA-N -1 3 430.913 4.467 40 0 IIABHM COc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 ZINC000030863502 556511680 /nfs/dbraw/zinc/51/16/80/556511680.db2.gz XFANTUSMBHKTOA-UHFFFAOYSA-N -1 3 444.940 4.388 40 0 IIABHM Cc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000044901369 556677989 /nfs/dbraw/zinc/67/79/89/556677989.db2.gz IUQZBHABTCWLIB-MRXNPFEDSA-N -1 3 428.485 4.341 40 0 IIABHM CS(=O)(=O)[N-]c1ccc(C(=O)NCCSCc2ccc(Cl)cc2)cc1Cl ZINC000044946258 556683552 /nfs/dbraw/zinc/68/35/52/556683552.db2.gz AZNBADXRMFDHQD-UHFFFAOYSA-N -1 3 433.382 4.028 40 0 IIABHM O=C(CCC1CCCC1)N1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(C2CCCCC2)C3)C1 ZINC000019014907 556692117 /nfs/dbraw/zinc/69/21/17/556692117.db2.gz TWKJESVXRJCPLH-IBGZPJMESA-N -1 3 426.605 4.159 40 0 IIABHM Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc(=O)[n-]1 ZINC000019214206 556711068 /nfs/dbraw/zinc/71/10/68/556711068.db2.gz XXXBYWQSZFOXCQ-UZUQRXQVSA-N -1 3 444.535 4.044 40 0 IIABHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)cc2)cc1 ZINC000013686635 556711224 /nfs/dbraw/zinc/71/12/24/556711224.db2.gz OXYHMUFBTGERQS-HJOGWXRNSA-N -1 3 444.487 4.232 40 0 IIABHM O=C(C1CCCCC1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CN(Cc1cccs1)CC2 ZINC000019343570 556741346 /nfs/dbraw/zinc/74/13/46/556741346.db2.gz IHSHDMQBWRFRTN-NRFANRHFSA-N -1 3 440.613 4.024 40 0 IIABHM O=C(CCc1ccccc1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(CC1CCCCC1)C2 ZINC000019370760 556748168 /nfs/dbraw/zinc/74/81/68/556748168.db2.gz HOUXZYYBYRYRQU-XMMPIXPASA-N -1 3 448.611 4.417 40 0 IIABHM CN(C(=O)c1c[n-]nc1-c1ccc(CNC(=O)c2cccc(F)c2)cc1)c1ccccc1 ZINC000019586780 556823060 /nfs/dbraw/zinc/82/30/60/556823060.db2.gz YPIHKPQYSUVJMK-UHFFFAOYSA-N -1 3 428.467 4.422 40 0 IIABHM C[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)COc1ccc(Cl)cc1Cl)N2 ZINC000409054736 556938272 /nfs/dbraw/zinc/93/82/72/556938272.db2.gz BGVHJEKVIUPFCW-RDGWCUKFSA-N -1 3 425.234 4.258 40 0 IIABHM CCCn1ncc(CN2CCC(C[C@H]3CC(c4ccc(C)cc4)=NO3)(C(=O)[O-])CC2)c1C ZINC000072389738 556959858 /nfs/dbraw/zinc/95/98/58/556959858.db2.gz IMSLJKYRCDSNIN-JOCHJYFZSA-N -1 3 438.572 4.160 40 0 IIABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(F)ccc3F)cc2)c1 ZINC000020020321 556964653 /nfs/dbraw/zinc/96/46/53/556964653.db2.gz MYOPMSBBZZUDKS-UHFFFAOYSA-N -1 3 446.475 4.400 40 0 IIABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(C)cc(C)c3)cc2)cc1 ZINC000409354922 557081118 /nfs/dbraw/zinc/08/11/18/557081118.db2.gz ANUYQZFVBGJLIQ-UHFFFAOYSA-N -1 3 440.521 4.130 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1C ZINC000409383241 557091487 /nfs/dbraw/zinc/09/14/87/557091487.db2.gz SRKRJGVNGIZJPU-UHFFFAOYSA-N -1 3 428.485 4.261 40 0 IIABHM Cc1cccc(C)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000409390082 557101375 /nfs/dbraw/zinc/10/13/75/557101375.db2.gz JBKUUWGZGQIUHL-UHFFFAOYSA-N -1 3 428.485 4.261 40 0 IIABHM O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)OCc1ccc(Cl)cc1Cl ZINC000016384958 557154714 /nfs/dbraw/zinc/15/47/14/557154714.db2.gz NMRZFDQEHZJECC-UHFFFAOYSA-N -1 3 443.135 4.322 40 0 IIABHM Cc1ccccc1CN1CCCC[C@@H]1c1cc2nc3c(c(=O)n2[n-]1)CN(C(=O)C(C)C)CC3 ZINC000100243189 557255332 /nfs/dbraw/zinc/25/53/32/557255332.db2.gz SUKDWTTXJUTUEE-HSZRJFAPSA-N -1 3 447.583 4.011 40 0 IIABHM O=C1[C@@H]2C(=C([O-])N1c1c(Cl)cccc1Cl)ON(c1ccccc1)[C@H]2c1cccnc1 ZINC000102733726 557306871 /nfs/dbraw/zinc/30/68/71/557306871.db2.gz ZXHZFLCORQNOFT-BJLQDIEVSA-N -1 3 440.286 4.440 40 0 IIABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3c4ccccc4C[C@H]3C)cc2)c1 ZINC000222689966 557374424 /nfs/dbraw/zinc/37/44/24/557374424.db2.gz DVGFXAIYIGUPOU-GOSISDBHSA-N -1 3 436.533 4.152 40 0 IIABHM COc1ccccc1[C@H]1CC(=O)c2c[n-]c3nn(-c4nc5ccccc5s4)c(=O)c-3c2C1 ZINC000013639617 557384926 /nfs/dbraw/zinc/38/49/26/557384926.db2.gz IXXRUYWZYZPEJF-CYBMUJFWSA-N -1 3 442.500 4.245 40 0 IIABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)N1c2ccccc2C[C@H]1C ZINC000222796400 557387691 /nfs/dbraw/zinc/38/76/91/557387691.db2.gz VXRMIGGNYCPPLT-GOSISDBHSA-N -1 3 436.533 4.152 40 0 IIABHM Cc1ccc2nc(-c3cc(NC(=S)NC(=O)COc4ccccc4)ccc3[O-])oc2c1 ZINC000017098428 557481074 /nfs/dbraw/zinc/48/10/74/557481074.db2.gz AIRPXNNBYSLBHA-UHFFFAOYSA-N -1 3 433.489 4.401 40 0 IIABHM O=S(=O)(Cc1ccc(Cl)c(Cl)c1)[N-]Cc1nc(-c2ccccc2Cl)no1 ZINC000223647293 557496791 /nfs/dbraw/zinc/49/67/91/557496791.db2.gz QLJWOOLMPFZYRE-UHFFFAOYSA-N -1 3 432.716 4.316 40 0 IIABHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@@H]3c2cccs2)cc1 ZINC000004166146 557531825 /nfs/dbraw/zinc/53/18/25/557531825.db2.gz VOOMCSJTSLNGRL-AQNXPRMDSA-N -1 3 440.908 4.461 40 0 IIABHM Cc1ccc(C)c(NS(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3ccccc3C)cc2)c1 ZINC000224546025 557620075 /nfs/dbraw/zinc/62/00/75/557620075.db2.gz RXVPEGCFHMDANV-UHFFFAOYSA-N -1 3 444.578 4.355 40 0 IIABHM Cc1cccc(C)c1NS(=O)(=O)c1ccc([N-]S(=O)(=O)Cc2ccc(F)cc2)cc1 ZINC000224549782 557620927 /nfs/dbraw/zinc/62/09/27/557620927.db2.gz OEAVMNAAUOHSGZ-UHFFFAOYSA-N -1 3 448.541 4.185 40 0 IIABHM Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])n1-c1cccnc1 ZINC000224597638 557629257 /nfs/dbraw/zinc/62/92/57/557629257.db2.gz BWTYXIZXCDNLKJ-PKTZIBPZSA-N -1 3 427.533 4.458 40 0 IIABHM COc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)c1 ZINC000059132916 557815119 /nfs/dbraw/zinc/81/51/19/557815119.db2.gz FKONZHMNICKILY-UHFFFAOYSA-N -1 3 426.494 4.065 40 0 IIABHM CC1(C)Oc2ccccc2[C@H]2O[C@H]3CCN(Cc4ccccc4OCC(=O)[O-])C[C@@H]3C[C@@H]21 ZINC000585262330 568616335 /nfs/dbraw/zinc/61/63/35/568616335.db2.gz DUBOWVSNVBIZRS-XZFMWLAQSA-N -1 3 437.536 4.289 40 0 IIABHM CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCN(Cc4ccc(OCC(=O)[O-])cc4)C[C@H]3C[C@H]21 ZINC000257209708 568669851 /nfs/dbraw/zinc/66/98/51/568669851.db2.gz BRPDCKBXIVNZML-FMNIHWTGSA-N -1 3 437.536 4.289 40 0 IIABHM CC(C)(C)OC(=O)N1CCC2(CC1)CO[C@H]1c3ccc(C=O)c([O-])c3OC(C)(C)[C@@H]1C2 ZINC000257321113 568720506 /nfs/dbraw/zinc/72/05/06/568720506.db2.gz WADFJPGQDIWADL-MJGOQNOKSA-N -1 3 431.529 4.471 40 0 IIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)c2ccccc2)cc1 ZINC000028206991 569242821 /nfs/dbraw/zinc/24/28/21/569242821.db2.gz MKKBAJVDPPQLLV-QGZVFWFLSA-N -1 3 436.533 4.478 40 0 IIABHM CSc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000107579663 569250467 /nfs/dbraw/zinc/25/04/67/569250467.db2.gz RAQHZTUJFGQHDS-UHFFFAOYSA-N -1 3 446.525 4.366 40 0 IIABHM CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000108981212 569253314 /nfs/dbraw/zinc/25/33/14/569253314.db2.gz NUCOAEAPTGUOAX-AWEZNQCLSA-N -1 3 444.475 4.190 40 0 IIABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000034761994 555508425 /nfs/dbraw/zinc/50/84/25/555508425.db2.gz BYLBZHWXPNAONP-UHFFFAOYSA-N -1 3 430.913 4.467 40 0 IIABHM Cc1ccc(NC(=O)CSc2nc(-c3cc(Br)ccc3[O-])n[nH]2)cc1C ZINC000408545082 555793659 /nfs/dbraw/zinc/79/36/59/555793659.db2.gz YJJVLASQVBZFPZ-UHFFFAOYSA-N -1 3 433.331 4.287 40 0 IIABHM Cc1ccc(NC(=O)CSc2n[nH]c(-c3cc(Br)ccc3[O-])n2)cc1C ZINC000408545082 555793663 /nfs/dbraw/zinc/79/36/63/555793663.db2.gz YJJVLASQVBZFPZ-UHFFFAOYSA-N -1 3 433.331 4.287 40 0 IIABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC3CCCCC3)cc2)c1 ZINC000408590137 555947425 /nfs/dbraw/zinc/94/74/25/555947425.db2.gz JNFOYDHKWLJWAP-SFHVURJKSA-N -1 3 430.570 4.320 40 0 IIABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)c1 ZINC000035253555 556045924 /nfs/dbraw/zinc/04/59/24/556045924.db2.gz HGSLKQDVVZBBBL-LJQANCHMSA-N -1 3 438.549 4.360 40 0 IIABHM CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000408680902 556075527 /nfs/dbraw/zinc/07/55/27/556075527.db2.gz SSJIJRFDTPPQCA-NRFANRHFSA-N -1 3 428.485 4.423 40 0 IIABHM O=C([N-]c1c(F)cccc1F)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000408701127 556103941 /nfs/dbraw/zinc/10/39/41/556103941.db2.gz RXQPQIOCKWHKEC-UHFFFAOYSA-N -1 3 428.888 4.435 40 0 IIABHM O=C(NCCSCc1ccccc1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000011241253 556340191 /nfs/dbraw/zinc/34/01/91/556340191.db2.gz NOXABIQESBYPRO-UHFFFAOYSA-N -1 3 444.553 4.290 40 0 IIABHM COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C([O-])=C3ON2c2ccccc2)cc1 ZINC000011582343 556342297 /nfs/dbraw/zinc/34/22/97/556342297.db2.gz KHWAVBYANPTJJF-FKBYEOEOSA-N -1 3 434.879 4.400 40 0 IIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccccc3)cc2)cc1 ZINC000014004424 556353812 /nfs/dbraw/zinc/35/38/12/556353812.db2.gz KHBOIQBAKXSSCE-QGZVFWFLSA-N -1 3 440.521 4.292 40 0 IIABHM O=C(CC1CCCCC1)N1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(C2CCCCC2)C3)C1 ZINC000019014729 556691841 /nfs/dbraw/zinc/69/18/41/556691841.db2.gz VYKBLEKZNOKEIC-IBGZPJMESA-N -1 3 426.605 4.159 40 0 IIABHM Cc1cccc(CC(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)CCN(C2CCCCC2)C3)c1 ZINC000019234760 556719143 /nfs/dbraw/zinc/71/91/43/556719143.db2.gz CVTGEJFOWRTGBO-DEOSSOPVSA-N -1 3 448.611 4.478 40 0 IIABHM O=C(c1cccs1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCCC1)C2 ZINC000019342686 556740289 /nfs/dbraw/zinc/74/02/89/556740289.db2.gz NCMBJJLNXQQLFH-LJQANCHMSA-N -1 3 426.586 4.302 40 0 IIABHM CC(C)N1CCc2c(=O)[n-]c([C@@H]3CCCN3C(=O)c3cc4c(s3)CCCCC4)nc2C1 ZINC000019448401 556758041 /nfs/dbraw/zinc/75/80/41/556758041.db2.gz JEIGZGCNZOKSOD-IBGZPJMESA-N -1 3 440.613 4.256 40 0 IIABHM COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(C)cc2C)c1 ZINC000002238866 556760159 /nfs/dbraw/zinc/76/01/59/556760159.db2.gz VFKCYELEJVTKDB-SMIHKQSGSA-N -1 3 428.488 4.363 40 0 IIABHM CC(C)c1nc(C[C@H](NC(=O)Cc2nc3cc(Cl)ccc3[nH]2)c2ccccc2)cc(=O)[n-]1 ZINC000019453552 556764238 /nfs/dbraw/zinc/76/42/38/556764238.db2.gz BYVCVEXXZVBYTK-IBGZPJMESA-N -1 3 449.942 4.066 40 0 IIABHM CC(C)c1nc(C[C@H](NC(=O)Cc2nc3ccc(Cl)cc3[nH]2)c2ccccc2)cc(=O)[n-]1 ZINC000019453552 556764240 /nfs/dbraw/zinc/76/42/40/556764240.db2.gz BYVCVEXXZVBYTK-IBGZPJMESA-N -1 3 449.942 4.066 40 0 IIABHM Cc1c2ccccc2oc1C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C(C)C)C2 ZINC000019566157 556806915 /nfs/dbraw/zinc/80/69/15/556806915.db2.gz VUOVYLDPZMZMKW-FQEVSTJZSA-N -1 3 434.540 4.371 40 0 IIABHM Cc1[nH]c2ccc(F)cc2c1CC(=O)N[C@@H](Cc1cc(=O)[n-]c(C(C)C)n1)c1ccccc1 ZINC000019581455 556819656 /nfs/dbraw/zinc/81/96/56/556819656.db2.gz VAUMIDNHXWZLLL-QHCPKHFHSA-N -1 3 446.526 4.465 40 0 IIABHM COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)cc(Cl)c1[O-] ZINC000409162972 556981251 /nfs/dbraw/zinc/98/12/51/556981251.db2.gz KEFLEJHYXDMGCN-SXGWCWSVSA-N -1 3 446.912 4.346 40 0 IIABHM C[C@@H]1CCCC2=C1NN(C(=O)COc1ccc(Cl)cc1Cl)[C@@]2([O-])C(F)(F)F ZINC000409178340 556987070 /nfs/dbraw/zinc/98/70/70/556987070.db2.gz KYOUMYQNAFFZPV-RDGWCUKFSA-N -1 3 425.234 4.258 40 0 IIABHM CCOc1cc(/C=C2\SC(=O)N(CC(=O)N(C(C)C)C(C)C)C2=O)cc(Cl)c1[O-] ZINC000409215008 557009694 /nfs/dbraw/zinc/00/96/94/557009694.db2.gz ZEBCDMYSIDXXPW-SXGWCWSVSA-N -1 3 440.949 4.126 40 0 IIABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)cc1 ZINC000409363624 557083455 /nfs/dbraw/zinc/08/34/55/557083455.db2.gz XATPSKREZFHTMN-UHFFFAOYSA-N -1 3 446.912 4.167 40 0 IIABHM COc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)cc1 ZINC000409383684 557091853 /nfs/dbraw/zinc/09/18/53/557091853.db2.gz ZSDUIJZCVZKZGA-UHFFFAOYSA-N -1 3 440.521 4.130 40 0 IIABHM CCc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC000409390108 557101402 /nfs/dbraw/zinc/10/14/02/557101402.db2.gz JLBYEEPMFAWNSU-UHFFFAOYSA-N -1 3 428.485 4.206 40 0 IIABHM COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(C)cc2C)c1 ZINC000101219295 557120756 /nfs/dbraw/zinc/12/07/56/557120756.db2.gz VFKCYELEJVTKDB-HJOGWXRNSA-N -1 3 428.488 4.363 40 0 IIABHM COc1cccc([C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000102706596 557133023 /nfs/dbraw/zinc/13/30/23/557133023.db2.gz FSPQQKSLNXBBCG-BHIFYINESA-N -1 3 434.879 4.400 40 0 IIABHM O=S(=O)(Cc1ccc(Cl)cc1)[N-]c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000009694961 557192823 /nfs/dbraw/zinc/19/28/23/557192823.db2.gz ZIVCQVPWQXVIFX-UHFFFAOYSA-N -1 3 436.942 4.083 40 0 IIABHM CS(=O)(=O)[N-]c1ccc(Cl)c(C(=O)Nc2ccccc2C(=O)c2ccccc2)c1 ZINC000219283384 557235465 /nfs/dbraw/zinc/23/54/65/557235465.db2.gz YFSVJMIFUHCBFF-UHFFFAOYSA-N -1 3 428.897 4.195 40 0 IIABHM O=c1c2c(-c3ccco3)[n-]n(-c3ccccc3)c-2c(O)n1-c1ccc(Cl)c(Cl)c1 ZINC000101460707 557292824 /nfs/dbraw/zinc/29/28/24/557292824.db2.gz QSSJXNLYJCALBQ-PKOBYXMFSA-N -1 3 426.259 4.369 40 0 IIABHM COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(SC)cc2)c1 ZINC000101130089 557351007 /nfs/dbraw/zinc/35/10/07/557351007.db2.gz GWDKFFDTNYDZTC-ZRBLBEILSA-N -1 3 446.528 4.468 40 0 IIABHM O=c1[nH]c2cc(Cl)c(S(=O)(=O)[N-]c3cc(C(F)(F)F)ccc3Cl)cc2o1 ZINC000223326906 557459530 /nfs/dbraw/zinc/45/95/30/557459530.db2.gz WVICNYBHYKGWIC-UHFFFAOYSA-N -1 3 427.187 4.248 40 0 IIABHM CCn1c(=O)oc2cc(S(=O)(=O)[N-]c3cc(C(F)(F)F)ccc3Cl)c(C)cc21 ZINC000223355593 557461813 /nfs/dbraw/zinc/46/18/13/557461813.db2.gz ONAGQSWZIXVZCX-UHFFFAOYSA-N -1 3 434.823 4.396 40 0 IIABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N[C@H](C)c3ccc(F)cc3)ccc2C)cc1 ZINC000224062271 557553561 /nfs/dbraw/zinc/55/35/61/557553561.db2.gz ORIPSWUKLOQZKJ-MRXNPFEDSA-N -1 3 442.512 4.435 40 0 IIABHM COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)cc1 ZINC000224529582 557617188 /nfs/dbraw/zinc/61/71/88/557617188.db2.gz ZQIOVXJPQYQJLH-OVCLIPMQSA-N -1 3 426.469 4.287 40 0 IIABHM O=S(=O)(Cc1ccccc1)[N-]c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 ZINC000224545742 557620040 /nfs/dbraw/zinc/62/00/40/557620040.db2.gz XYDBQYFAQZWEQM-UHFFFAOYSA-N -1 3 436.942 4.083 40 0 IIABHM Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])n1-c1cccnc1 ZINC000224597591 557629305 /nfs/dbraw/zinc/62/93/05/557629305.db2.gz BWTYXIZXCDNLKJ-DHIUTWEWSA-N -1 3 427.533 4.458 40 0 IIABHM CSc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2)cc1NC(=O)C(C)C ZINC000224938311 557669045 /nfs/dbraw/zinc/66/90/45/557669045.db2.gz GEYNSWXTRVKUCZ-UHFFFAOYSA-N -1 3 433.599 4.404 40 0 IIABHM O=c1sc2cc(S(=O)(=O)[N-]c3ccc(F)cc3F)ccc2n1Cc1ccccc1 ZINC000225742261 557771581 /nfs/dbraw/zinc/77/15/81/557771581.db2.gz PNTSVDSCJHTJFT-UHFFFAOYSA-N -1 3 432.473 4.190 40 0 IIABHM CCc1cccc(CC)c1NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000033714510 557809172 /nfs/dbraw/zinc/80/91/72/557809172.db2.gz IGXQYBGMEOCOQQ-GFCCVEGCSA-N -1 3 429.369 4.424 40 0 IIABHM C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1NC(C(F)(F)F)=C[C@@]1([O-])C(F)(F)F ZINC000059192189 557817955 /nfs/dbraw/zinc/81/79/55/557817955.db2.gz RVUONAGUZWYMTJ-SREIQFSDSA-N -1 3 439.139 4.162 40 0 IIABHM CCOc1cc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)cc(I)c1[O-] ZINC000059484472 557825279 /nfs/dbraw/zinc/82/52/79/557825279.db2.gz DOXZZZYHRSRFER-DHDCSXOGSA-N -1 3 449.244 4.048 40 0 IIABHM Cc1cc(NC(=S)NC(=O)COc2ccc(C(C)C)cc2)cc(Br)c1[O-] ZINC000226244180 569177980 /nfs/dbraw/zinc/17/79/80/569177980.db2.gz CCTAPYQRBWAFFU-UHFFFAOYSA-N -1 3 437.359 4.479 40 0 IIABHM Cc1ccsc1CN1CCc2nc([C@@H]3CCCN3C(=O)[C@@H]3CC=CCC3)[n-]c(=O)c2C1 ZINC000253598604 569209011 /nfs/dbraw/zinc/20/90/11/569209011.db2.gz DTAQOTVZXUPCDE-XLIONFOSSA-N -1 3 438.597 4.130 40 0 IIABHM Cc1cc(-c2ccc(F)cc2)cc(C2CCN(C(=O)CCc3c(C)nc(C)[n-]c3=O)CC2)n1 ZINC000019691197 569227700 /nfs/dbraw/zinc/22/77/00/569227700.db2.gz HGTNJFLHGLSIGP-UHFFFAOYSA-N -1 3 448.542 4.235 40 0 IIABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)c1 ZINC000035178388 569248404 /nfs/dbraw/zinc/24/84/04/569248404.db2.gz NHFLXMIXFQTZMP-IBGZPJMESA-N -1 3 438.549 4.360 40 0 IIABHM Cc1ccc(C)c(NC(=O)CSc2nc(-c3cc(Br)ccc3[O-])n[nH]2)c1 ZINC000105942397 569250278 /nfs/dbraw/zinc/25/02/78/569250278.db2.gz SDGGMHNIBIZFOQ-UHFFFAOYSA-N -1 3 433.331 4.287 40 0 IIABHM Cc1ccc(C)c(NC(=O)CSc2n[nH]c(-c3cc(Br)ccc3[O-])n2)c1 ZINC000105942397 569250279 /nfs/dbraw/zinc/25/02/79/569250279.db2.gz SDGGMHNIBIZFOQ-UHFFFAOYSA-N -1 3 433.331 4.287 40 0 IIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC3CCCCCC3)cc2)cc1 ZINC000107793136 569251253 /nfs/dbraw/zinc/25/12/53/569251253.db2.gz OFUTZFTZGWHPFK-UHFFFAOYSA-N -1 3 446.569 4.104 40 0 IIABHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(C)cc2)cc1 ZINC000009209996 569294418 /nfs/dbraw/zinc/29/44/18/569294418.db2.gz AWTVSNZKEXJBJA-HJOGWXRNSA-N -1 3 428.488 4.445 40 0 IIABHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc(F)c2)cc1 ZINC000009307190 569295212 /nfs/dbraw/zinc/29/52/12/569295212.db2.gz GLVBQKOMRGPEFT-ZRBLBEILSA-N -1 3 432.451 4.276 40 0 IIABHM CC(C)(C)c1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccc(F)cc2)cc1 ZINC000009359318 569295849 /nfs/dbraw/zinc/29/58/49/569295849.db2.gz APDVGRBZNXOVEU-LZJOCLMNSA-N -1 3 438.421 4.227 40 0 IIABHM CCOC(=O)c1c(C)c(C(=O)CC)sc1[N-]C(=O)c1cc(-c2cccc(O)c2)on1 ZINC000020572830 521383750 /nfs/dbraw/zinc/38/37/50/521383750.db2.gz RCWVIFOIYJDLSZ-UHFFFAOYSA-N -1 3 428.466 4.439 40 0 IIABHM Cc1cccc(NC(=O)CSc2nnc([N-]C(=O)c3ccc(F)cc3F)s2)c1C ZINC000035316119 524605182 /nfs/dbraw/zinc/60/51/82/524605182.db2.gz IVYQBYKOUGZMFC-UHFFFAOYSA-N -1 3 434.493 4.416 40 0 IIABHM Cc1cccc(C)c1NC(=O)CSc1nnc(-c2cc(Br)ccc2[O-])n1C ZINC000408544419 555792048 /nfs/dbraw/zinc/79/20/48/555792048.db2.gz SXXZIGZOZCRWHL-UHFFFAOYSA-N -1 3 447.358 4.298 40 0 IIABHM COc1cccc(OC)c1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1 ZINC000408574877 555925489 /nfs/dbraw/zinc/92/54/89/555925489.db2.gz FHAPQJASWAULNS-UHFFFAOYSA-N -1 3 440.521 4.374 40 0 IIABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)NC1CCCCCCC1 ZINC000408584954 555935362 /nfs/dbraw/zinc/93/53/62/555935362.db2.gz XDFBWAOZCBVJCS-UHFFFAOYSA-N -1 3 434.533 4.234 40 0 IIABHM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(OC)c(Cl)c2)ccc1OCC ZINC000408587968 555938500 /nfs/dbraw/zinc/93/85/00/555938500.db2.gz VHVRIKWIGBXUOS-UHFFFAOYSA-N -1 3 428.894 4.117 40 0 IIABHM CCN(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1 ZINC000408592057 555952861 /nfs/dbraw/zinc/95/28/61/555952861.db2.gz NLUAUFZGUDITOB-UHFFFAOYSA-N -1 3 444.326 4.263 40 0 IIABHM CCC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408593140 555954923 /nfs/dbraw/zinc/95/49/23/555954923.db2.gz LPNQGFGMOUKMRJ-KDOFPFPSSA-N -1 3 443.396 4.188 40 0 IIABHM C[C@@H](Oc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)C(=O)NC1CCCCC1 ZINC000408593361 555959310 /nfs/dbraw/zinc/95/93/10/555959310.db2.gz QAONKJNGUDPEGS-OAHLLOKOSA-N -1 3 436.961 4.357 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1Cl ZINC000408596701 555964191 /nfs/dbraw/zinc/96/41/91/555964191.db2.gz XNNOIJYARYBKIA-UHFFFAOYSA-N -1 3 430.913 4.467 40 0 IIABHM CCCCCNC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408597583 555965391 /nfs/dbraw/zinc/96/53/91/555965391.db2.gz VGZCZJDVAGEJSW-GOSISDBHSA-N -1 3 443.396 4.189 40 0 IIABHM C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@@H]3[C@@H]1CC[C@@H]2OC1([O-])C(=O)c2ccccc2C1=O ZINC000004804630 556012506 /nfs/dbraw/zinc/01/25/06/556012506.db2.gz PSDYWXVFQWCFEU-UHTDJGJFSA-N -1 3 434.532 4.281 40 0 IIABHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)cc1C(=O)N1CCCCCC1 ZINC000408693118 556093107 /nfs/dbraw/zinc/09/31/07/556093107.db2.gz IECVYMTURMSWJM-UHFFFAOYSA-N -1 3 446.569 4.299 40 0 IIABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCCOc3ccccc3)cc2)cc1 ZINC000408705481 556113799 /nfs/dbraw/zinc/11/37/99/556113799.db2.gz GUAJFODJBQMOPK-UHFFFAOYSA-N -1 3 440.521 4.294 40 0 IIABHM CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(OC)cc3)cc2)cc1 ZINC000014012145 556355187 /nfs/dbraw/zinc/35/51/87/556355187.db2.gz ALAZAEFPUSRWNT-UHFFFAOYSA-N -1 3 426.494 4.147 40 0 IIABHM O=C(NCCSc1ccccc1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000015136978 556505701 /nfs/dbraw/zinc/50/57/01/556505701.db2.gz MLTIWSTZNHHMCW-UHFFFAOYSA-N -1 3 430.526 4.149 40 0 IIABHM COc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000016227005 556593128 /nfs/dbraw/zinc/59/31/28/556593128.db2.gz LHBIKNBHWLOARM-UHFFFAOYSA-N -1 3 446.912 4.167 40 0 IIABHM Cc1ccc(NC(=S)NC(=O)c2cc(I)ccc2Cl)c([O-])c1 ZINC000016291074 556597608 /nfs/dbraw/zinc/59/76/08/556597608.db2.gz DFOBAXIRNMTXFF-UHFFFAOYSA-N -1 3 446.697 4.085 40 0 IIABHM Cc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000016347438 556601864 /nfs/dbraw/zinc/60/18/64/556601864.db2.gz JCBYKVYWWGKGAZ-UHFFFAOYSA-N -1 3 430.913 4.467 40 0 IIABHM COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@H]3c2cccs2)c1 ZINC000018058747 556682458 /nfs/dbraw/zinc/68/24/58/556682458.db2.gz ZAYSVDYPHSILKN-UFYCRDLUSA-N -1 3 440.908 4.461 40 0 IIABHM Cc1ccc(CC(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)CCN(C2CCCCC2)C3)cc1 ZINC000019209731 556708374 /nfs/dbraw/zinc/70/83/74/556708374.db2.gz BBIKJUPRUVNFHI-XMMPIXPASA-N -1 3 448.611 4.478 40 0 IIABHM Cc1nc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)c2ccc(F)cc2)cc(=O)[n-]1 ZINC000019285365 556727072 /nfs/dbraw/zinc/72/70/72/556727072.db2.gz KZHXFZNVKPMQBZ-DEOSSOPVSA-N -1 3 441.506 4.450 40 0 IIABHM CC(C)N1CCc2c(nc([C@@H]3CCCCN3C(=O)c3cc4c(s3)CCCC4)[n-]c2=O)C1 ZINC000019448357 556757679 /nfs/dbraw/zinc/75/76/79/556757679.db2.gz ZOAMMLWETAHBNF-IBGZPJMESA-N -1 3 440.613 4.256 40 0 IIABHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc(F)c2)cc1 ZINC000101192617 556758258 /nfs/dbraw/zinc/75/82/58/556758258.db2.gz GLVBQKOMRGPEFT-VABKMULXSA-N -1 3 432.451 4.276 40 0 IIABHM CSCC[C@H](NC(=O)c1cccc2c(C)c(C)[nH]c21)c1cc(=O)[n-]c(-c2cccnc2)n1 ZINC000019576926 556815232 /nfs/dbraw/zinc/81/52/32/556815232.db2.gz WLHMVRLWNWAVRJ-IBGZPJMESA-N -1 3 447.564 4.154 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(F)c3)c(C)c2)cc1 ZINC000020021628 556965031 /nfs/dbraw/zinc/96/50/31/556965031.db2.gz CTAOPTPWTNWQOY-UHFFFAOYSA-N -1 3 446.475 4.400 40 0 IIABHM COc1ccc(NC(=O)CSc2nnc(-c3ccccc3[O-])n2-c2ccccc2)cc1 ZINC000000996091 557118142 /nfs/dbraw/zinc/11/81/42/557118142.db2.gz NRQOLVVBOCHAJB-UHFFFAOYSA-N -1 3 432.505 4.379 40 0 IIABHM O=c1c2c(-c3ccco3)[n-]n(-c3ccccc3)c-2c(O)n1-c1ccc(Cl)c(Cl)c1 ZINC000101460710 557292802 /nfs/dbraw/zinc/29/28/02/557292802.db2.gz QSSJXNLYJCALBQ-HKUYNNGSSA-N -1 3 426.259 4.369 40 0 IIABHM O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1C=C([O-])NC(Nc2cccc(C(F)(F)F)c2)=N1 ZINC000014607665 557447817 /nfs/dbraw/zinc/44/78/17/557447817.db2.gz BYWCCEWVPWFIQA-CQSZACIVSA-N -1 3 444.335 4.019 40 0 IIABHM O=C(c1ccc(F)cc1)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(F)cc3F)ccc21 ZINC000223378898 557465076 /nfs/dbraw/zinc/46/50/76/557465076.db2.gz JWLVXBADTMQDJL-UHFFFAOYSA-N -1 3 446.450 4.498 40 0 IIABHM COCCn1c(SCC(=O)N(C(C)C)C(C)C)nnc1-c1cc2ccccc2cc1[O-] ZINC000017953162 557495732 /nfs/dbraw/zinc/49/57/32/557495732.db2.gz SWVYLRRYUDWUCX-UHFFFAOYSA-N -1 3 442.585 4.188 40 0 IIABHM COc1ccc(S(=O)(=O)[N-]c2ccc(Cc3ccncc3)cc2)cc1Br ZINC000223978607 557538345 /nfs/dbraw/zinc/53/83/45/557538345.db2.gz RUVXDAYJPBAGJN-UHFFFAOYSA-N -1 3 433.327 4.244 40 0 IIABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccccc3OC)ccc2C)cc1 ZINC000224057992 557553053 /nfs/dbraw/zinc/55/30/53/557553053.db2.gz YCDRQBGZDVKOHA-UHFFFAOYSA-N -1 3 426.494 4.065 40 0 IIABHM CCOc1ccc(-c2noc(C[N-]S(=O)(=O)c3cc(C(C)C)c(OC)cc3C)n2)cc1 ZINC000224088025 557559056 /nfs/dbraw/zinc/55/90/56/557559056.db2.gz BXZXZNRPZWUQEP-UHFFFAOYSA-N -1 3 445.541 4.054 40 0 IIABHM COc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)cc1 ZINC000224545062 557619822 /nfs/dbraw/zinc/61/98/22/557619822.db2.gz GZHIQANKPWVKRR-OAHLLOKOSA-N -1 3 444.484 4.041 40 0 IIABHM Cc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1C ZINC000224574859 557625913 /nfs/dbraw/zinc/62/59/13/557625913.db2.gz YTNJMUTZEPTYII-UHFFFAOYSA-N -1 3 428.485 4.261 40 0 IIABHM CC[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(C)cc2)s1)c1ccc(C)cc1C ZINC000224575575 557626080 /nfs/dbraw/zinc/62/60/80/557626080.db2.gz UIKBORGOROXADR-GOSISDBHSA-N -1 3 444.582 4.145 40 0 IIABHM COc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)cc1NC(C)=O ZINC000016099575 569225667 /nfs/dbraw/zinc/22/56/67/569225667.db2.gz HMVWNTPVPWDFIG-UHFFFAOYSA-N -1 3 426.494 4.033 40 0 IIABHM CSc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1C(=O)N1CCC(C)CC1 ZINC000026118823 569242505 /nfs/dbraw/zinc/24/25/05/569242505.db2.gz BMMYKNXAWABPCR-UHFFFAOYSA-N -1 3 440.537 4.360 40 0 IIABHM Cc1ccc(CNC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)cc2)cc1 ZINC000033638829 569245245 /nfs/dbraw/zinc/24/52/45/569245245.db2.gz RDPZVLXTFJVMDJ-UHFFFAOYSA-N -1 3 438.549 4.108 40 0 IIABHM CCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000033681222 569245688 /nfs/dbraw/zinc/24/56/88/569245688.db2.gz HCGMVZXDFFLQQF-UHFFFAOYSA-N -1 3 444.484 4.043 40 0 IIABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCC3=CCCCC3)cc2)c1 ZINC000108195231 569252583 /nfs/dbraw/zinc/25/25/83/569252583.db2.gz BXBXQJFPQFUVHF-UHFFFAOYSA-N -1 3 442.581 4.490 40 0 IIABHM Cc1cccc(Cc2c(C)nc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)[n-]c2=O)c1 ZINC000013611828 132351894 /nfs/dbraw/zinc/35/18/94/132351894.db2.gz QGPCPSVRZRFPGF-UHFFFAOYSA-N -1 3 442.485 4.323 40 0 IIABHM COc1ccc(Br)cc1S(=O)(=O)[N-]Cc1ccc(Cl)cc1Cl ZINC000016093230 523508590 /nfs/dbraw/zinc/50/85/90/523508590.db2.gz DOPMLQRLGBKNLJ-UHFFFAOYSA-N -1 3 425.131 4.243 40 0 IIABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000022536874 525271227 /nfs/dbraw/zinc/27/12/27/525271227.db2.gz WHXVRJQNLPOFPN-KRWDZBQOSA-N -1 3 442.512 4.191 40 0 IIABHM CCc1ccccc1NC(=O)CSc1nnc(-c2cc(Br)ccc2[O-])n1C ZINC000408542178 555790553 /nfs/dbraw/zinc/79/05/53/555790553.db2.gz HVCKYTUERICKIK-UHFFFAOYSA-N -1 3 447.358 4.243 40 0 IIABHM CCN(C(=O)CSc1nc(-c2cc(Br)ccc2[O-])n[nH]1)c1ccccc1 ZINC000408543326 555790815 /nfs/dbraw/zinc/79/08/15/555790815.db2.gz NZDCMHGMXOWWAT-UHFFFAOYSA-N -1 3 433.331 4.085 40 0 IIABHM CCN(C(=O)CSc1n[nH]c(-c2cc(Br)ccc2[O-])n1)c1ccccc1 ZINC000408543326 555790817 /nfs/dbraw/zinc/79/08/17/555790817.db2.gz NZDCMHGMXOWWAT-UHFFFAOYSA-N -1 3 433.331 4.085 40 0 IIABHM CCc1ccc([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC3CCCCC3)cc2)cc1 ZINC000408586111 555936663 /nfs/dbraw/zinc/93/66/63/555936663.db2.gz AGJNBBHWFMGFJS-KRWDZBQOSA-N -1 3 430.570 4.266 40 0 IIABHM Cc1ccc(-n2c(SCC(=O)NCc3ccco3)nnc2-c2ccccc2[O-])c(C)c1 ZINC000408598883 555958058 /nfs/dbraw/zinc/95/80/58/555958058.db2.gz CFQLFLQPHYGPFX-UHFFFAOYSA-N -1 3 434.521 4.258 40 0 IIABHM Cc1cccc([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC3CCCCC3)cc2)c1C ZINC000408595832 555962888 /nfs/dbraw/zinc/96/28/88/555962888.db2.gz VBMIIUXJCPEEBT-SFHVURJKSA-N -1 3 430.570 4.320 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCCCCC3)cc2)cc1Cl ZINC000408601696 555969747 /nfs/dbraw/zinc/96/97/47/555969747.db2.gz GMXYEHSFIUSBPW-UHFFFAOYSA-N -1 3 436.961 4.231 40 0 IIABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccccc3Cl)cc2)c1 ZINC000035239896 556035766 /nfs/dbraw/zinc/03/57/66/556035766.db2.gz HHXVBIMCCCXBHN-UHFFFAOYSA-N -1 3 444.940 4.144 40 0 IIABHM COc1ccc(C)cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1C ZINC000408677703 556071322 /nfs/dbraw/zinc/07/13/22/556071322.db2.gz QVOSXINDRWCSLV-UHFFFAOYSA-N -1 3 440.521 4.130 40 0 IIABHM O=S(=O)(Cc1ccccc1)[N-]c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000014223875 556393753 /nfs/dbraw/zinc/39/37/53/556393753.db2.gz CMFRYSVLGLJBIO-UHFFFAOYSA-N -1 3 436.942 4.083 40 0 IIABHM COc1ccc(CN(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)cc1 ZINC000030855364 556510178 /nfs/dbraw/zinc/51/01/78/556510178.db2.gz RGPZCMHIGVERDZ-UHFFFAOYSA-N -1 3 444.940 4.422 40 0 IIABHM COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000100799130 556591151 /nfs/dbraw/zinc/59/11/51/556591151.db2.gz OJWSVBCPLATMAB-FKBYEOEOSA-N -1 3 434.879 4.400 40 0 IIABHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@@H]3c2cccs2)cc1 ZINC000100799283 556591486 /nfs/dbraw/zinc/59/14/86/556591486.db2.gz VOOMCSJTSLNGRL-ZCNNSNEGSA-N -1 3 440.908 4.461 40 0 IIABHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000100918527 556604239 /nfs/dbraw/zinc/60/42/39/556604239.db2.gz FOSNTVDHSDNFAX-BDTNDASRSA-N -1 3 434.879 4.400 40 0 IIABHM Cc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2cccc4ccccc42)CC(=O)N3)cc1 ZINC000040400383 556643377 /nfs/dbraw/zinc/64/33/77/556643377.db2.gz OEDPAOBSAINYEU-SFHVURJKSA-N -1 3 439.475 4.040 40 0 IIABHM COc1ccc(N2OC3=C([O-])N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@@H]2c2ccccc2)cc1 ZINC000013617678 556704084 /nfs/dbraw/zinc/70/40/84/556704084.db2.gz BFWHVTSVWUKBED-BHIFYINESA-N -1 3 434.879 4.400 40 0 IIABHM Cc1cccc(CC(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)CCN(C2CCCCC2)C3)c1 ZINC000019234759 556719042 /nfs/dbraw/zinc/71/90/42/556719042.db2.gz CVTGEJFOWRTGBO-XMMPIXPASA-N -1 3 448.611 4.478 40 0 IIABHM O=C(Cc1cccs1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCCC1)C2 ZINC000019343219 556741145 /nfs/dbraw/zinc/74/11/45/556741145.db2.gz VKXYWTTWDUWZFC-NRFANRHFSA-N -1 3 440.613 4.231 40 0 IIABHM CC(C)c1nc(C[C@@H](NC(=O)Cc2nc3cc(Cl)ccc3[nH]2)c2ccccc2)cc(=O)[n-]1 ZINC000019453550 556764271 /nfs/dbraw/zinc/76/42/71/556764271.db2.gz BYVCVEXXZVBYTK-LJQANCHMSA-N -1 3 449.942 4.066 40 0 IIABHM CC(C)c1nc(C[C@@H](NC(=O)Cc2nc3ccc(Cl)cc3[nH]2)c2ccccc2)cc(=O)[n-]1 ZINC000019453550 556764272 /nfs/dbraw/zinc/76/42/72/556764272.db2.gz BYVCVEXXZVBYTK-LJQANCHMSA-N -1 3 449.942 4.066 40 0 IIABHM O=C(CSc1nnc(-c2ccccc2[O-])n1Cc1ccccc1)NCc1ccccc1 ZINC000001223746 556768668 /nfs/dbraw/zinc/76/86/68/556768668.db2.gz LIWRZLDMDSNYMQ-UHFFFAOYSA-N -1 3 430.533 4.108 40 0 IIABHM CN(C)c1ccc(C(=O)N2CCC(c3nc(C4CC4)[n-]c(=O)c3-c3ccccc3)CC2)cc1 ZINC000072354311 556929951 /nfs/dbraw/zinc/92/99/51/556929951.db2.gz KYVHBSVPSISNNE-UHFFFAOYSA-N -1 3 442.563 4.400 40 0 IIABHM O=C(Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O)Nc1ccc(Br)cc1F ZINC000019937630 556951399 /nfs/dbraw/zinc/95/13/99/556951399.db2.gz GLTUKPOYKICNLR-UHFFFAOYSA-N -1 3 436.668 4.173 40 0 IIABHM CCOc1cc(/C=C2/c3ccccc3N(CC)C2=O)cc(I)c1[O-] ZINC000409113233 556958092 /nfs/dbraw/zinc/95/80/92/556958092.db2.gz HEAFYVNWNBVISL-ZROIWOOFSA-N -1 3 435.261 4.303 40 0 IIABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(F)ccc3C)cc2)c1 ZINC000020020252 556964605 /nfs/dbraw/zinc/96/46/05/556964605.db2.gz CCSRYTWYVGEXIF-UHFFFAOYSA-N -1 3 428.485 4.261 40 0 IIABHM O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)Nc1c(Cl)cccc1Cl ZINC000409149700 556974551 /nfs/dbraw/zinc/97/45/51/556974551.db2.gz NXAZDGVFFUEFOQ-UHFFFAOYSA-N -1 3 428.124 4.217 40 0 IIABHM C[C@@H]1CCCC2=C1NN(C(=O)COc1ccc(Cl)cc1Cl)[C@@]2([O-])C(F)(F)F ZINC000409178337 556987081 /nfs/dbraw/zinc/98/70/81/556987081.db2.gz KYOUMYQNAFFZPV-RBIVETJNSA-N -1 3 425.234 4.258 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)Cc3ccccc3)c(C)c2)cc1 ZINC000409375779 557087478 /nfs/dbraw/zinc/08/74/78/557087478.db2.gz PDYWFHCZLWZQGF-UHFFFAOYSA-N -1 3 438.549 4.142 40 0 IIABHM CCOc1ccc(Br)c([C@H]2Nc3ccccc3[C@@H]3C(=O)[N-]C(SC)=NN32)c1 ZINC000588229396 557156043 /nfs/dbraw/zinc/15/60/43/557156043.db2.gz ZSZWMTRMMNIYND-SJORKVTESA-N -1 3 447.358 4.079 40 0 IIABHM O=c1cc(-c2ccc(F)cc2)nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)[n-]1 ZINC000014606944 557447272 /nfs/dbraw/zinc/44/72/72/557447272.db2.gz SEGQAMNTWKMRHV-UHFFFAOYSA-N -1 3 440.522 4.488 40 0 IIABHM CCn1c2cc(Cl)c(S(=O)(=O)[N-]Cc3ccc(Cl)cc3Cl)cc2oc1=O ZINC000223360536 557462480 /nfs/dbraw/zinc/46/24/80/557462480.db2.gz VMMXEQVVVXJWFU-UHFFFAOYSA-N -1 3 435.716 4.053 40 0 IIABHM CCOc1ccc(-c2noc(C[N-]S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)n2)cc1 ZINC000223631347 557494171 /nfs/dbraw/zinc/49/41/71/557494171.db2.gz XQPRKQPFNBIUKG-UHFFFAOYSA-N -1 3 442.324 4.062 40 0 IIABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N3CCc4ccccc4C3)ccc2C)cc1 ZINC000224058349 557553086 /nfs/dbraw/zinc/55/30/86/557553086.db2.gz UXKZBADQEXWVKH-UHFFFAOYSA-N -1 3 436.533 4.003 40 0 IIABHM O=C(NCCOCc1ccccc1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000224408467 557603180 /nfs/dbraw/zinc/60/31/80/557603180.db2.gz NGDKHPLBHLKSNG-UHFFFAOYSA-N -1 3 444.940 4.087 40 0 IIABHM O=C(COc1cccc(Cl)c1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000224571080 557625380 /nfs/dbraw/zinc/62/53/80/557625380.db2.gz WOOGAIJDNXYXLD-UHFFFAOYSA-N -1 3 434.876 4.297 40 0 IIABHM Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])nc1 ZINC000224594329 557628638 /nfs/dbraw/zinc/62/86/38/557628638.db2.gz DRQYUUOQRJBNGE-XZOQPEGZSA-N -1 3 427.533 4.458 40 0 IIABHM O=S(=O)([N-]CC1=N[C@@H](c2ccccc2)c2ccccc2-n2cccc21)c1cccs1 ZINC000225376503 557715857 /nfs/dbraw/zinc/71/58/57/557715857.db2.gz AFMCCHREEDHBME-QHCPKHFHSA-N -1 3 433.558 4.409 40 0 IIABHM CC(C)n1c(=O)sc2cc(S(=O)(=O)[N-]c3ccc(Br)cc3F)ccc21 ZINC000225709272 557767098 /nfs/dbraw/zinc/76/70/98/557767098.db2.gz HBMIWRUYMABUOX-UHFFFAOYSA-N -1 3 445.335 4.346 40 0 IIABHM COc1ccccc1N1CCN(CCc2ccc3c(Br)ccc([O-])c3n2)CC1 ZINC000059474715 557824447 /nfs/dbraw/zinc/82/44/47/557824447.db2.gz WRJHJHHZPJICOF-UHFFFAOYSA-N -1 3 442.357 4.076 40 0 IIABHM CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(Cl)c1[O-] ZINC000033721618 569246064 /nfs/dbraw/zinc/24/60/64/569246064.db2.gz LUOCJGZFWGDTLE-OVCLIPMQSA-N -1 3 437.857 4.060 40 0 IIABHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(C)cc2)cc1 ZINC000009209998 569294464 /nfs/dbraw/zinc/29/44/64/569294464.db2.gz AWTVSNZKEXJBJA-VXNXHJTFSA-N -1 3 428.488 4.445 40 0 IIABHM COc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000012017306 569303526 /nfs/dbraw/zinc/30/35/26/569303526.db2.gz IUBITZYLXRRGMJ-FKBYEOEOSA-N -1 3 434.879 4.400 40 0 IIABHM COc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)c(OC)c1 ZINC000020485925 524637599 /nfs/dbraw/zinc/63/75/99/524637599.db2.gz RYAFHAOLNYNMQL-UHFFFAOYSA-N -1 3 446.912 4.410 40 0 IIABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)cc1N1CCCC1=O ZINC000020492462 525077755 /nfs/dbraw/zinc/07/77/55/525077755.db2.gz USNTUFSQRNVHAS-UHFFFAOYSA-N -1 3 448.850 4.295 40 0 IIABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000022537337 525424195 /nfs/dbraw/zinc/42/41/95/525424195.db2.gz RNLKPQVBRCZNJL-KRWDZBQOSA-N -1 3 442.512 4.191 40 0 IIABHM CS(=O)(=O)[N-]c1ccc(C(=O)NCCSCc2c(Cl)cccc2Cl)cc1 ZINC000408547588 555802362 /nfs/dbraw/zinc/80/23/62/555802362.db2.gz ZZLJSMMWYXBXEK-UHFFFAOYSA-N -1 3 433.382 4.028 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)NC3CCCCC3)cc2)c(C)c1 ZINC000408593909 555960229 /nfs/dbraw/zinc/96/02/29/555960229.db2.gz QOYOSKANSGWZLM-GOSISDBHSA-N -1 3 430.570 4.320 40 0 IIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC3CCCCC3)c(C)c2)cc1 ZINC000408674585 556065688 /nfs/dbraw/zinc/06/56/88/556065688.db2.gz BOUACBWRFXZBTR-UHFFFAOYSA-N -1 3 446.569 4.022 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCC(C)CC3)c(C)c2)cc1C ZINC000408675333 556069262 /nfs/dbraw/zinc/06/92/62/556069262.db2.gz VYUUQVKYZPQYSX-UHFFFAOYSA-N -1 3 430.570 4.050 40 0 IIABHM C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000408705505 556111624 /nfs/dbraw/zinc/11/16/24/556111624.db2.gz HGIKFCFSNAQURH-AWEZNQCLSA-N -1 3 432.448 4.172 40 0 IIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccccc3F)cc2)cc1 ZINC000015438840 556528196 /nfs/dbraw/zinc/52/81/96/556528196.db2.gz UDZKDZJQZRVPNH-UHFFFAOYSA-N -1 3 444.484 4.043 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccccc3F)cc2)cc1C ZINC000015529134 556533573 /nfs/dbraw/zinc/53/35/73/556533573.db2.gz WBDDARTYHMBKJT-UHFFFAOYSA-N -1 3 428.485 4.261 40 0 IIABHM O=C([O-])C[C@@H]1CCN(Cc2ccccc2OC(F)(F)F)C[C@@H]1Cc1nc2cc[nH]cc-2n1 ZINC000514288604 556625171 /nfs/dbraw/zinc/62/51/71/556625171.db2.gz JBJJBLSIBNRHNK-HOCLYGCPSA-N -1 3 448.445 4.012 40 0 biogenic,in-vitro IIABHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc(O)c2)cc1 ZINC000101078894 556653784 /nfs/dbraw/zinc/65/37/84/556653784.db2.gz QQENCQLIBAWUEO-SMIHKQSGSA-N -1 3 444.487 4.232 40 0 IIABHM Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)CCN(Cc2cccs2)C3)cc1 ZINC000019135408 556705737 /nfs/dbraw/zinc/70/57/37/556705737.db2.gz MZEOLJCUGJAYLX-JOCHJYFZSA-N -1 3 448.592 4.478 40 0 IIABHM Cc1cccc(OC(C)(C)C(=O)N[C@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C)n2)c1 ZINC000019235139 556719722 /nfs/dbraw/zinc/71/97/22/556719722.db2.gz SHZBGENJACYNQU-JOCHJYFZSA-N -1 3 444.535 4.126 40 0 IIABHM O=C(c1ccc(Cl)c(Cl)c1)N1CCC(c2nc(-c3nccs3)cc(=O)[n-]2)CC1 ZINC000019292790 556731979 /nfs/dbraw/zinc/73/19/79/556731979.db2.gz XCSOKDXXYWFZHI-UHFFFAOYSA-N -1 3 435.336 4.220 40 0 IIABHM O=C(CC1CCCC1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CN(Cc1cccs1)CC2 ZINC000019343576 556741383 /nfs/dbraw/zinc/74/13/83/556741383.db2.gz DIEPDINKCLUDTF-NRFANRHFSA-N -1 3 440.613 4.024 40 0 IIABHM CCOCc1cc(CN2CCCC[C@H]2c2cc(=O)[n-]c(-c3ccncc3)n2)ccc1OC ZINC000019531161 556791783 /nfs/dbraw/zinc/79/17/83/556791783.db2.gz DALQUVNYYUNSMU-QFIPXVFZSA-N -1 3 434.540 4.104 40 0 IIABHM COc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)c1 ZINC000063305226 556820671 /nfs/dbraw/zinc/82/06/71/556820671.db2.gz SEYWIDLANHIQHI-UHFFFAOYSA-N -1 3 440.521 4.130 40 0 IIABHM O=C([N-]c1nnc(CCS(=O)(=O)c2ccc3ccccc3c2)s1)c1cccs1 ZINC000008690235 556842380 /nfs/dbraw/zinc/84/23/80/556842380.db2.gz RJIXGGZPULLIRV-UHFFFAOYSA-N -1 3 429.548 4.022 40 0 aggregator IIABHM CCOc1cc(/C=C2\SC(Nc3ccccc3F)NC2=O)cc(Br)c1[O-] ZINC000408803183 556859783 /nfs/dbraw/zinc/85/97/83/556859783.db2.gz MDIAFAWLRUUFQE-UHFFFAOYSA-N -1 3 438.298 4.455 40 0 IIABHM COc1ccc(C(=O)N2NC3=C(C[C@@H](C(C)(C)C)CC3)[C@]2([O-])C(F)(F)F)cc1OC ZINC000409101099 556955547 /nfs/dbraw/zinc/95/55/47/556955547.db2.gz VFKHLMOALMQWAV-MNVSYLFESA-N -1 3 428.451 4.229 40 0 IIABHM CCOc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1[O-] ZINC000409106029 556958841 /nfs/dbraw/zinc/95/88/41/556958841.db2.gz QBGXOQWAFWIJCM-VGOFMYFVSA-N -1 3 437.677 4.304 40 0 IIABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(F)ccc3F)cc2)c1 ZINC000020020246 556964520 /nfs/dbraw/zinc/96/45/20/556964520.db2.gz HEJAXTZXHDRRSN-UHFFFAOYSA-N -1 3 432.448 4.092 40 0 IIABHM COc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000409389689 557100990 /nfs/dbraw/zinc/10/09/90/557100990.db2.gz IIYLIOFDSKDEJX-UHFFFAOYSA-N -1 3 446.912 4.167 40 0 IIABHM CCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000101200963 557245619 /nfs/dbraw/zinc/24/56/19/557245619.db2.gz HQSPYXVGXOZEBV-VJBWXMMDSA-N -1 3 432.451 4.276 40 0 IIABHM Cc1ccc(-n2c(SCc3nc4ccccc4c(=O)[nH]3)nnc2-c2ccccc2[O-])cc1 ZINC000013126043 557296799 /nfs/dbraw/zinc/29/67/99/557296799.db2.gz STQDGMNHTSOVIZ-UHFFFAOYSA-N -1 3 441.516 4.477 40 0 IIABHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@@H]2c1ccncc1 ZINC000102727771 557306444 /nfs/dbraw/zinc/30/64/44/557306444.db2.gz GIIMJJMIHWGLSE-AQNXPRMDSA-N -1 3 440.286 4.440 40 0 IIABHM O=C1[C@H]2C(=C([O-])N1c1c(Cl)cccc1Cl)ON(c1ccccc1)[C@H]2c1ccncc1 ZINC000102736572 557306749 /nfs/dbraw/zinc/30/67/49/557306749.db2.gz MYCSDMQSSHIWLC-HBFSDRIKSA-N -1 3 440.286 4.440 40 0 IIABHM O=C([O-])c1ccccc1[C@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)C2ON1c1ccccc1 ZINC000013811333 557394305 /nfs/dbraw/zinc/39/43/05/557394305.db2.gz ZDTSWYWUPWCDBR-PCCBWWKXSA-N -1 3 448.862 4.089 40 0 IIABHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(F)cc3F)ccc2N1C(=O)c1ccccc1 ZINC000223267526 557453408 /nfs/dbraw/zinc/45/34/08/557453408.db2.gz OELLGWKPJXATGS-CQSZACIVSA-N -1 3 428.460 4.357 40 0 IIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)c2ccc(C)cc2)cc1 ZINC000223376404 557464579 /nfs/dbraw/zinc/46/45/79/557464579.db2.gz MSYAPJJOPJYNRR-UHFFFAOYSA-N -1 3 436.533 4.397 40 0 IIABHM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3cc(C(F)(F)F)ccc3Cl)ccc21 ZINC000223846658 557520081 /nfs/dbraw/zinc/52/00/81/557520081.db2.gz CYJFATIUUNASSM-UHFFFAOYSA-N -1 3 432.851 4.459 40 0 IIABHM O=C(NCCOc1ccc(F)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000224409234 557603184 /nfs/dbraw/zinc/60/31/84/557603184.db2.gz LRSYFAKFFKNIRM-UHFFFAOYSA-N -1 3 448.903 4.089 40 0 IIABHM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)cc1OC ZINC000224528466 557616843 /nfs/dbraw/zinc/61/68/43/557616843.db2.gz GWYIWGZZJPDUMD-UHFFFAOYSA-N -1 3 446.912 4.410 40 0 IIABHM Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3ccc(F)cc3)cc2)cc1C ZINC000224549845 557620910 /nfs/dbraw/zinc/62/09/10/557620910.db2.gz XXYJUSGAQIRLIO-UHFFFAOYSA-N -1 3 448.541 4.185 40 0 IIABHM O=C(COc1ccccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000224550754 557621439 /nfs/dbraw/zinc/62/14/39/557621439.db2.gz VUKOBFKHXWVBFZ-UHFFFAOYSA-N -1 3 434.876 4.297 40 0 IIABHM O=C(COc1cccc(Cl)c1)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000224570785 557625355 /nfs/dbraw/zinc/62/53/55/557625355.db2.gz DSIULFGLAZXZRD-UHFFFAOYSA-N -1 3 434.876 4.297 40 0 IIABHM CC[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(C)cc2)s1)c1ccc(C)c(C)c1 ZINC000225523846 557735617 /nfs/dbraw/zinc/73/56/17/557735617.db2.gz XHFQYDRSPAGYAK-GOSISDBHSA-N -1 3 444.582 4.145 40 0 IIABHM C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1NC(C(F)(F)F)=C[C@]1([O-])C(F)(F)F ZINC000059192194 557817999 /nfs/dbraw/zinc/81/79/99/557817999.db2.gz RVUONAGUZWYMTJ-INWYIAFRSA-N -1 3 439.139 4.162 40 0 IIABHM O=C(c1cc(=O)[n-]c(-c2ccccc2)n1)N1CCC[C@H](c2ncc(Cc3ccccc3)o2)C1 ZINC000257307403 568714464 /nfs/dbraw/zinc/71/44/64/568714464.db2.gz SYMWBFFZOVQJOE-FQEVSTJZSA-N -1 3 440.503 4.448 40 0 IIABHM Cc1ccc([C@@H]2[C@H](C(=O)[O-])CCN2C(=O)c2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000257321110 568720513 /nfs/dbraw/zinc/72/05/13/568720513.db2.gz WACSOSHAJGYKDT-DNQXCXABSA-N -1 3 436.552 4.148 40 0 IIABHM Cc1cc(NC(=S)NC(=O)COc2ccc(Cl)cc2)cc(Br)c1[O-] ZINC000226244249 569178011 /nfs/dbraw/zinc/17/80/11/569178011.db2.gz KYYAVWOFKRKTQK-UHFFFAOYSA-N -1 3 429.723 4.009 40 0 IIABHM CC(=O)N[C@@H]1C[C@H](C(C)C)O[C@H](c2cccc(NC(=O)c3nc4ccc(F)cc4[n-]3)c2)C1 ZINC000019712237 569235293 /nfs/dbraw/zinc/23/52/93/569235293.db2.gz BKFUKRIQVWEJSY-QIJUGHKUSA-N -1 3 438.503 4.335 40 0 IIABHM CC(=O)N[C@@H]1C[C@H](C(C)C)O[C@H](c2cccc(NC(=O)c3nc4cc(F)ccc4[n-]3)c2)C1 ZINC000019712237 569235295 /nfs/dbraw/zinc/23/52/95/569235295.db2.gz BKFUKRIQVWEJSY-QIJUGHKUSA-N -1 3 438.503 4.335 40 0 IIABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccc(Cl)cc3)cc2)c1 ZINC000033654662 569245376 /nfs/dbraw/zinc/24/53/76/569245376.db2.gz WJQPRELRCWKKSY-UHFFFAOYSA-N -1 3 444.940 4.144 40 0 IIABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)cc1 ZINC000108263463 569252959 /nfs/dbraw/zinc/25/29/59/569252959.db2.gz PRMXCPBANWASOS-UHFFFAOYSA-N -1 3 440.521 4.130 40 0 IIABHM CC(C)(C)c1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccc(F)cc2)cc1 ZINC000008915384 569292327 /nfs/dbraw/zinc/29/23/27/569292327.db2.gz APDVGRBZNXOVEU-FVJLSDCUSA-N -1 3 438.421 4.227 40 0 IIABHM COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)cc2)c1 ZINC000009463596 569296430 /nfs/dbraw/zinc/29/64/30/569296430.db2.gz WOETXSICZKRVLL-VSKRKVRLSA-N -1 3 434.879 4.400 40 0 IIABHM COc1ccc(S(=O)(=O)[N-]CC2(c3ccccc3)CCOCC2)c(Cl)c1Cl ZINC000223248914 193957373 /nfs/dbraw/zinc/95/73/73/193957373.db2.gz MFPCXACVNXTHTL-UHFFFAOYSA-N -1 3 430.353 4.029 40 0 IIABHM Cc1nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[n-]c(=O)c1Cc1ccccc1 ZINC000013611815 132351931 /nfs/dbraw/zinc/35/19/31/132351931.db2.gz BUGIOUCOXLUTGN-UHFFFAOYSA-N -1 3 428.458 4.015 40 0 IIABHM COc1ccccc1CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(Cl)c1 ZINC000020454279 524483534 /nfs/dbraw/zinc/48/35/34/524483534.db2.gz DESTUOWFGBKRDN-UHFFFAOYSA-N -1 3 444.940 4.388 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccc(F)cc3)cc2)cc1 ZINC000022536837 525301714 /nfs/dbraw/zinc/30/17/14/525301714.db2.gz VXKFXEPHIWGDMX-KRWDZBQOSA-N -1 3 442.512 4.191 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3c(F)cccc3F)cc2)cc1 ZINC000016293389 525302157 /nfs/dbraw/zinc/30/21/57/525302157.db2.gz BVGSOODJRUXPAN-UHFFFAOYSA-N -1 3 432.448 4.092 40 0 IIABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl)Nc1ccccc1 ZINC000408561353 555903477 /nfs/dbraw/zinc/90/34/77/555903477.db2.gz IGDSXOMEJXZTRX-UHFFFAOYSA-N -1 3 434.876 4.297 40 0 IIABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC3CCCCCCC3)cc2)c1 ZINC000408583636 555930584 /nfs/dbraw/zinc/93/05/84/555930584.db2.gz IXCNKRFKNYXCAU-UHFFFAOYSA-N -1 3 430.570 4.404 40 0 IIABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1)N1CCCC1 ZINC000408589521 555940385 /nfs/dbraw/zinc/94/03/85/555940385.db2.gz IHFXMJGZUMZFEZ-UHFFFAOYSA-N -1 3 442.310 4.017 40 0 IIABHM CC(C)CCNC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408591593 555952185 /nfs/dbraw/zinc/95/21/85/555952185.db2.gz ITABIOMOAZSWAX-SFHVURJKSA-N -1 3 443.396 4.045 40 0 IIABHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)NCC(C)C)cc2)cc1 ZINC000408596847 555964484 /nfs/dbraw/zinc/96/44/84/555964484.db2.gz SPVGWPIRCAUDEA-GOSISDBHSA-N -1 3 432.586 4.370 40 0 IIABHM Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2C)cc1 ZINC000408677717 556071851 /nfs/dbraw/zinc/07/18/51/556071851.db2.gz RAUMODSFMQZQMA-UHFFFAOYSA-N -1 3 428.485 4.261 40 0 IIABHM CC1(C)[C@H]2CC[C@]1(C)C(=O)N(c1cccc(S(=O)(=O)[N-]c3ccccc3Cl)c1)C2=O ZINC000408721922 556149534 /nfs/dbraw/zinc/14/95/34/556149534.db2.gz MYEZZFGNNKYWJQ-KSFYIVLOSA-N -1 3 446.956 4.457 40 0 IIABHM COc1cc(-c2nc3sc(C)c(C)c3c(=O)[n-]2)cc(I)c1OC ZINC000408735104 556201485 /nfs/dbraw/zinc/20/14/85/556201485.db2.gz NXPIGJUNZWRNPK-UHFFFAOYSA-N -1 3 442.278 4.303 40 0 IIABHM CCOC(=O)c1c([N-]C(=O)c2cc(-c3ccc4c(c3)OCO4)on2)sc2c1CCCC2 ZINC000009597863 556302170 /nfs/dbraw/zinc/30/21/70/556302170.db2.gz DGUFHSRUYAWVTR-UHFFFAOYSA-N -1 3 440.477 4.440 40 0 IIABHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)cc1C(=O)N1CCCC1 ZINC000013648370 556544781 /nfs/dbraw/zinc/54/47/81/556544781.db2.gz IESQCMPWSCFCTE-UHFFFAOYSA-N -1 3 444.553 4.053 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC3CCCCCCC3)cc2)cc1 ZINC000016293336 556598469 /nfs/dbraw/zinc/59/84/69/556598469.db2.gz AHPFNGMKCUWMKJ-UHFFFAOYSA-N -1 3 430.570 4.404 40 0 IIABHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)cc2)cc1 ZINC000100977395 556633650 /nfs/dbraw/zinc/63/36/50/556633650.db2.gz OXYHMUFBTGERQS-SGNDLWITSA-N -1 3 444.487 4.232 40 0 IIABHM COc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1C(C)(C)C ZINC000016780598 556641719 /nfs/dbraw/zinc/64/17/19/556641719.db2.gz ZMTPVKCLOSLFLQ-UHFFFAOYSA-N -1 3 445.322 4.398 40 0 IIABHM Cc1ccc([C@H](C)C(=O)N2CC[C@@H](c3nc4c(c(=O)[n-]3)CCN(C3CCCCC3)C4)C2)cc1 ZINC000019135714 556706171 /nfs/dbraw/zinc/70/61/71/556706171.db2.gz CIMBPVAKFYYFRJ-PZJWPPBQSA-N -1 3 448.611 4.301 40 0 IIABHM Cc1ccc(OC(C)(C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C)n2)cc1 ZINC000019210762 556709113 /nfs/dbraw/zinc/70/91/13/556709113.db2.gz ONBVSKXLLDHOCV-QFIPXVFZSA-N -1 3 444.535 4.126 40 0 IIABHM Cc1onc(-c2ccc(C)cc2)c1C(=O)N[C@H](Cc1cc(=O)[n-]c(C)n1)c1ccc(F)cc1 ZINC000019212017 556709706 /nfs/dbraw/zinc/70/97/06/556709706.db2.gz AVNHPRMJGMVGTK-OAQYLSRUSA-N -1 3 446.482 4.203 40 0 IIABHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2F)cc1 ZINC000101195630 556761836 /nfs/dbraw/zinc/76/18/36/556761836.db2.gz ZPTSNQBCAKAQMC-ZLNRFVROSA-N -1 3 432.451 4.276 40 0 IIABHM COc1cccc(CN2CCC(C[C@@H]3CC(c4cccc(F)c4)=NO3)(C(=O)[O-])CC2)c1 ZINC000019564793 556805895 /nfs/dbraw/zinc/80/58/95/556805895.db2.gz BJGYKHACJXHAQI-NRFANRHFSA-N -1 3 426.488 4.084 40 0 IIABHM Cc1c2ccccc2oc1C(=O)N1CCC(c2cc(C(=O)[N-]c3nccs3)on2)CC1 ZINC000019566081 556806523 /nfs/dbraw/zinc/80/65/23/556806523.db2.gz XLQZFCRFXZFXKK-UHFFFAOYSA-N -1 3 436.493 4.458 40 0 IIABHM Cc1c2ccccc2oc1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C(C)C)C2 ZINC000019566161 556806929 /nfs/dbraw/zinc/80/69/29/556806929.db2.gz VUOVYLDPZMZMKW-HXUWFJFHSA-N -1 3 434.540 4.371 40 0 IIABHM CSCC[C@@H](NC(=O)c1ccc2[nH]c(C)c(C)c2c1)c1cc(=O)[n-]c(-c2cccnc2)n1 ZINC000019576819 556815109 /nfs/dbraw/zinc/81/51/09/556815109.db2.gz YTHJGOOPUXUPKV-HXUWFJFHSA-N -1 3 447.564 4.154 40 0 IIABHM CCOC(=O)C1=C(C)NC(SCc2cccc(C(=O)[O-])c2)=N[C@H]1c1ccc(OC)cc1 ZINC000408866804 556873640 /nfs/dbraw/zinc/87/36/40/556873640.db2.gz JEGKUSKQXOTWEM-FQEVSTJZSA-N -1 3 440.521 4.164 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3c(F)cccc3F)cc2)cc1C ZINC000409375522 557087275 /nfs/dbraw/zinc/08/72/75/557087275.db2.gz LYZKQQKBTSYLNY-UHFFFAOYSA-N -1 3 446.475 4.400 40 0 IIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1 ZINC000409390772 557095478 /nfs/dbraw/zinc/09/54/78/557095478.db2.gz LKEZHAKHCGWLRN-UHFFFAOYSA-N -1 3 444.484 4.043 40 0 IIABHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000409389576 557100762 /nfs/dbraw/zinc/10/07/62/557100762.db2.gz HMJNEGKFFPZZJN-VIFPVBQESA-N -1 3 441.258 4.318 40 0 IIABHM CCCN1CCN(C(=O)c2ccc([O-])cc2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000585183654 557139601 /nfs/dbraw/zinc/13/96/01/557139601.db2.gz ZLHPEPFAWGEMEU-QHCPKHFHSA-N -1 3 443.547 4.008 40 0 IIABHM CCC(=O)N1c2ccccc2[C@@H]2C(=O)[N-]C(SC)=NN2[C@H]1c1cccc2ccccc21 ZINC000588229071 557155387 /nfs/dbraw/zinc/15/53/87/557155387.db2.gz BVKAFJMLYBLWCY-GGAORHGYSA-N -1 3 430.533 4.402 40 0 IIABHM CCOc1ccc(Br)c([C@@H]2Nc3ccccc3[C@H]3C(=O)[N-]C(SC)=NN23)c1 ZINC000588229393 557156014 /nfs/dbraw/zinc/15/60/14/557156014.db2.gz ZSZWMTRMMNIYND-DLBZAZTESA-N -1 3 447.358 4.079 40 0 IIABHM Cc1ccc(CN2CCCC[C@@H]2c2cc3nc4c(c(=O)n3[n-]2)CN(C(=O)C(C)C)CC4)cc1 ZINC000100243183 557255425 /nfs/dbraw/zinc/25/54/25/557255425.db2.gz OAZLFNZKLNTPCZ-HSZRJFAPSA-N -1 3 447.583 4.011 40 0 IIABHM O=C([O-])c1ccccc1[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)C2ON1c1ccccc1 ZINC000102746217 557307064 /nfs/dbraw/zinc/30/70/64/557307064.db2.gz KUSNJMJTTHZZMZ-ACRUOGEOSA-N -1 3 448.862 4.089 40 0 IIABHM COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(SC)cc2)c1 ZINC000101130086 557350922 /nfs/dbraw/zinc/35/09/22/557350922.db2.gz GWDKFFDTNYDZTC-VABKMULXSA-N -1 3 446.528 4.468 40 0 IIABHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)cc2)cc1 ZINC000033889020 557375469 /nfs/dbraw/zinc/37/54/69/557375469.db2.gz OXYHMUFBTGERQS-SMIHKQSGSA-N -1 3 444.487 4.232 40 0 IIABHM COc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000013980905 557399837 /nfs/dbraw/zinc/39/98/37/557399837.db2.gz KHZANABNMXYXMW-UHFFFAOYSA-N -1 3 440.521 4.130 40 0 IIABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N3CCCc4ccccc43)ccc2C)cc1 ZINC000224061947 557553661 /nfs/dbraw/zinc/55/36/61/557553661.db2.gz KHTRFOSHGICMGC-UHFFFAOYSA-N -1 3 436.533 4.397 40 0 IIABHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C)CC(C)(C)c1ccccc1 ZINC000224336410 557593244 /nfs/dbraw/zinc/59/32/44/557593244.db2.gz QRYRKLXPXKNDSW-CQSZACIVSA-N -1 3 426.376 4.492 40 0 IIABHM [O-]c1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(O)cc1 ZINC000224613300 557630937 /nfs/dbraw/zinc/63/09/37/557630937.db2.gz ZFDJWUONDBBKNH-PKTZIBPZSA-N -1 3 428.517 4.461 40 0 IIABHM CCC1(CC)C[C@H]([N-]S(=O)(=O)c2cc(C(=O)OC)ccc2Cl)c2ccccc2O1 ZINC000224992505 557674956 /nfs/dbraw/zinc/67/49/56/557674956.db2.gz RHWYHAKXTNNECH-KRWDZBQOSA-N -1 3 437.945 4.488 40 0 IIABHM CCCOc1ccccc1CCC[N-]S(=O)(=O)c1cc(Br)ccc1OC ZINC000225652634 557757319 /nfs/dbraw/zinc/75/73/19/557757319.db2.gz UTEOQKZKWDQKJB-UHFFFAOYSA-N -1 3 442.375 4.158 40 0 IIABHM CCOc1ccc(NC(=O)c2sc([N-]C(=O)c3ccco3)c(C(=O)OC)c2C)cc1 ZINC000000872071 569180493 /nfs/dbraw/zinc/18/04/93/569180493.db2.gz LSPSEXPCTBCEFP-UHFFFAOYSA-N -1 3 428.466 4.339 40 0 IIABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)NCc2ccc(Cl)cc2)cc1 ZINC000033552803 569244524 /nfs/dbraw/zinc/24/45/24/569244524.db2.gz UHYMIMDRMIKECJ-UHFFFAOYSA-N -1 3 444.940 4.144 40 0 IIABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3F)cc2)c1 ZINC000033706714 569245989 /nfs/dbraw/zinc/24/59/89/569245989.db2.gz AJKOCCWGDZNMBW-UHFFFAOYSA-N -1 3 428.485 4.261 40 0 IIABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1 ZINC000033748397 569246497 /nfs/dbraw/zinc/24/64/97/569246497.db2.gz KKSLNWQJOSXGSG-UHFFFAOYSA-N -1 3 446.912 4.167 40 0 IIABHM Cc1cc(C)cc(NC(=O)CSc2nc(-c3cc(Br)ccc3[O-])n[nH]2)c1 ZINC000105942391 569250271 /nfs/dbraw/zinc/25/02/71/569250271.db2.gz UZCKKQSJFZYJML-UHFFFAOYSA-N -1 3 433.331 4.287 40 0 IIABHM Cc1cc(C)cc(NC(=O)CSc2n[nH]c(-c3cc(Br)ccc3[O-])n2)c1 ZINC000105942391 569250273 /nfs/dbraw/zinc/25/02/73/569250273.db2.gz UZCKKQSJFZYJML-UHFFFAOYSA-N -1 3 433.331 4.287 40 0 IIABHM Cc1ccc(CNC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)cc1 ZINC000107776698 569251205 /nfs/dbraw/zinc/25/12/05/569251205.db2.gz YOXNKMJEUJIZIE-UHFFFAOYSA-N -1 3 438.549 4.108 40 0 IIABHM Cc1ccc(C)c(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1 ZINC000012488274 524169216 /nfs/dbraw/zinc/16/92/16/524169216.db2.gz SHLSRTDVHOVGLT-UHFFFAOYSA-N -1 3 428.485 4.261 40 0 IIABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)NC1CCCCCCC1 ZINC000408679221 556073866 /nfs/dbraw/zinc/07/38/66/556073866.db2.gz VKROSWFPMOWKSQ-UHFFFAOYSA-N -1 3 430.570 4.404 40 0 IIABHM CS(=O)(=O)[N-]c1ccc(C(=O)NCCSCc2ccccc2Cl)cc1Cl ZINC000030754016 556503753 /nfs/dbraw/zinc/50/37/53/556503753.db2.gz MTXIZXAWYUXHKR-UHFFFAOYSA-N -1 3 433.382 4.028 40 0 IIABHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@@H]3c2ccccc2)cc1 ZINC000100799265 556591130 /nfs/dbraw/zinc/59/11/30/556591130.db2.gz WMUKCJWSARQGPN-VSKRKVRLSA-N -1 3 434.879 4.400 40 0 IIABHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@H]3c2cccs2)cc1 ZINC000100799277 556591522 /nfs/dbraw/zinc/59/15/22/556591522.db2.gz VOOMCSJTSLNGRL-AABGKKOBSA-N -1 3 440.908 4.461 40 0 IIABHM Cc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc(C(C)C)cc2)CC(=O)N3)cc1 ZINC000040400432 556643312 /nfs/dbraw/zinc/64/33/12/556643312.db2.gz BXZSCMRRYQMXLM-SFHVURJKSA-N -1 3 431.496 4.010 40 0 IIABHM CCOc1ccccc1CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000044846006 556669509 /nfs/dbraw/zinc/66/95/09/556669509.db2.gz GGJUYCTVSVAHSL-UHFFFAOYSA-N -1 3 444.940 4.470 40 0 IIABHM CS(=O)(=O)[N-]c1ccc(C(=O)NCCSCc2ccccc2Cl)c(Cl)c1 ZINC000044846730 556669773 /nfs/dbraw/zinc/66/97/73/556669773.db2.gz GOPJFOYWXXMVKT-UHFFFAOYSA-N -1 3 433.382 4.028 40 0 IIABHM Cc1cc2ccccc2n1CCC(=O)N[C@H](Cc1cc(=O)[n-]c(C)n1)c1ccc(F)cc1 ZINC000019126846 556703553 /nfs/dbraw/zinc/70/35/53/556703553.db2.gz BAANMILWTGHSFY-JOCHJYFZSA-N -1 3 432.499 4.383 40 0 IIABHM COc1ccccc1-n1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccc1[O-] ZINC000000915839 556746435 /nfs/dbraw/zinc/74/64/35/556746435.db2.gz LEVWRIKBVKQUEA-UHFFFAOYSA-N -1 3 432.505 4.379 40 0 IIABHM CC(C)N1CCc2c(nc([C@@H]3CCCCN3C(=O)c3csc4c3CCCC4)[n-]c2=O)C1 ZINC000019448373 556757850 /nfs/dbraw/zinc/75/78/50/556757850.db2.gz QLGGDAOKNFAGQM-FQEVSTJZSA-N -1 3 440.613 4.256 40 0 IIABHM COc1cccc(CN2CCC(C[C@@H]3CC(c4ccc(F)cc4)=NO3)(C(=O)[O-])CC2)c1 ZINC000019564785 556805679 /nfs/dbraw/zinc/80/56/79/556805679.db2.gz OSNTWQRVSYOJBE-NRFANRHFSA-N -1 3 426.488 4.084 40 0 IIABHM C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1NC2=C(CCCC2)[C@@]1([O-])C(F)(F)F ZINC000408956260 556900341 /nfs/dbraw/zinc/90/03/41/556900341.db2.gz QEZRGWVDFOZNBG-KJRLAJNESA-N -1 3 425.234 4.400 40 0 IIABHM C[C@@H]1CN(c2nc3c(c(=O)[n-]2)CCN(Cc2cccc(Oc4ccccc4)c2)C3)C[C@@H](C)O1 ZINC000072347277 556918357 /nfs/dbraw/zinc/91/83/57/556918357.db2.gz JMTHLIRYLROPIE-RTBURBONSA-N -1 3 446.551 4.146 40 0 IIABHM C[C@H](NC(=O)Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O)c1ccc(Br)cc1 ZINC000019937727 556951693 /nfs/dbraw/zinc/95/16/93/556951693.db2.gz MKIWZZVTFXTUID-LBPRGKRZSA-N -1 3 446.732 4.273 40 0 IIABHM C[C@@H](NC(=O)Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O)c1ccc(Br)cc1 ZINC000019937726 556951742 /nfs/dbraw/zinc/95/17/42/556951742.db2.gz MKIWZZVTFXTUID-GFCCVEGCSA-N -1 3 446.732 4.273 40 0 IIABHM CCOC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000409117765 556960423 /nfs/dbraw/zinc/96/04/23/556960423.db2.gz PBVPTPPLTYNEBH-UHFFFAOYSA-N -1 3 438.716 4.390 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(F)c3)cc2)cc1 ZINC000020019881 556964101 /nfs/dbraw/zinc/96/41/01/556964101.db2.gz SKECRGJZTMGXEW-UHFFFAOYSA-N -1 3 432.448 4.092 40 0 IIABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)Nc2cc(F)ccc2C)cc1 ZINC000020020108 556964648 /nfs/dbraw/zinc/96/46/48/556964648.db2.gz DHQNPXBMDSQZJL-UHFFFAOYSA-N -1 3 428.485 4.261 40 0 IIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(F)ccc3F)c(C)c2)cc1 ZINC000020021626 556965157 /nfs/dbraw/zinc/96/51/57/556965157.db2.gz QNCLSPRPJQLOST-UHFFFAOYSA-N -1 3 446.475 4.400 40 0 IIABHM O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)Nc1cccc(Cl)c1Cl ZINC000409144119 556975729 /nfs/dbraw/zinc/97/57/29/556975729.db2.gz IFBVRYSUHBWOSK-UHFFFAOYSA-N -1 3 428.124 4.217 40 0 IIABHM COc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)c1 ZINC000409183887 556990397 /nfs/dbraw/zinc/99/03/97/556990397.db2.gz UPGKMYLKSYPTAK-UHFFFAOYSA-N -1 3 446.912 4.410 40 0 IIABHM CO[C@H]1CC[C@H](C(=O)N[C@@H](Cc2cc(=O)[n-]c(C3CCC3)n2)c2ccc(F)cc2)CC1 ZINC000257302718 557000861 /nfs/dbraw/zinc/00/08/61/557000861.db2.gz SDZHTWKOMNPHBH-YYWHXJBOSA-N -1 3 427.520 4.194 40 0 IIABHM CC(=O)Nc1cc(-c2ccc3c(c2)C2(CN3C(=O)c3cccc([O-])c3)CCOCC2)ccn1 ZINC000585105877 557038995 /nfs/dbraw/zinc/03/89/95/557038995.db2.gz WDMJDBFCQADGFP-UHFFFAOYSA-N -1 3 443.503 4.121 40 0 IIABHM CCn1c(SCC(=O)Nc2cccc(Br)c2)nnc1-c1ccccc1[O-] ZINC000409411820 557104829 /nfs/dbraw/zinc/10/48/29/557104829.db2.gz LOXRQALYBOTKOR-UHFFFAOYSA-N -1 3 433.331 4.164 40 0 IIABHM O=C([O-])c1ccccc1[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)C2ON1c1ccccc1 ZINC000102746224 557132339 /nfs/dbraw/zinc/13/23/39/557132339.db2.gz KUSNJMJTTHZZMZ-PCCBWWKXSA-N -1 3 448.862 4.089 40 0 IIABHM CCOc1ccc(Br)c([C@@H]2Nc3ccccc3[C@@H]3C(=O)[N-]C(SC)=NN23)c1 ZINC000588229394 557155986 /nfs/dbraw/zinc/15/59/86/557155986.db2.gz ZSZWMTRMMNIYND-IAGOWNOFSA-N -1 3 447.358 4.079 40 0 IIABHM Cc1ccccc1CN1CCCC[C@H]1c1cc2nc3c(c(=O)n2[n-]1)CN(C(=O)C(C)C)CC3 ZINC000100243190 557255463 /nfs/dbraw/zinc/25/54/63/557255463.db2.gz SUKDWTTXJUTUEE-QHCPKHFHSA-N -1 3 447.583 4.011 40 0 IIABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)N1c2ccccc2C[C@@H]1C ZINC000222796338 557387679 /nfs/dbraw/zinc/38/76/79/557387679.db2.gz VXRMIGGNYCPPLT-SFHVURJKSA-N -1 3 436.533 4.152 40 0 IIABHM CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000014024172 557419716 /nfs/dbraw/zinc/41/97/16/557419716.db2.gz RSRKUOWRSKZABY-QFIPXVFZSA-N -1 3 440.521 4.292 40 0 IIABHM Cc1ccccc1OC[C@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000223963643 557535404 /nfs/dbraw/zinc/53/54/04/557535404.db2.gz UVCYMOSOPNSWMM-KRWDZBQOSA-N -1 3 442.512 4.132 40 0 IIABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N(C)Cc3ccccc3F)ccc2C)cc1 ZINC000224102783 557561354 /nfs/dbraw/zinc/56/13/54/557561354.db2.gz WNIIBOHSZKNFKM-UHFFFAOYSA-N -1 3 442.512 4.216 40 0 IIABHM O=C1CCC(=O)N1c1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000225084491 557686349 /nfs/dbraw/zinc/68/63/49/557686349.db2.gz HKJHDOLJFNCUQJ-UHFFFAOYSA-N -1 3 433.700 4.101 40 0 IIABHM CCOc1cc2c(cc1CN1CCC(c3cncc([N-]c4ncccn4)n3)CC1)O[C@H](C)C2 ZINC000257212444 568671025 /nfs/dbraw/zinc/67/10/25/568671025.db2.gz CDKWJHNKCGXHSY-QGZVFWFLSA-N -1 3 446.555 4.112 40 0 IIABHM Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1 ZINC000033615569 569245012 /nfs/dbraw/zinc/24/50/12/569245012.db2.gz GWVSPIJHJDIBSV-UHFFFAOYSA-N -1 3 430.913 4.467 40 0 IIABHM COc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1 ZINC000033779408 569246743 /nfs/dbraw/zinc/24/67/43/569246743.db2.gz RTNXYGDLKAXJMM-UHFFFAOYSA-N -1 3 440.521 4.130 40 0 IIABHM CCc1ccc(NC(=O)CSc2nc(-c3cc(Br)ccc3[O-])n[nH]2)cc1 ZINC000038178965 569248768 /nfs/dbraw/zinc/24/87/68/569248768.db2.gz IGIHKNZGLOOIHM-UHFFFAOYSA-N -1 3 433.331 4.233 40 0 IIABHM CCc1ccc(NC(=O)CSc2n[nH]c(-c3cc(Br)ccc3[O-])n2)cc1 ZINC000038178965 569248769 /nfs/dbraw/zinc/24/87/69/569248769.db2.gz IGIHKNZGLOOIHM-UHFFFAOYSA-N -1 3 433.331 4.233 40 0 IIABHM COc1ccccc1[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C([O-])=C2ON1c1ccccc1 ZINC000018067662 569284750 /nfs/dbraw/zinc/28/47/50/569284750.db2.gz HKVSAYZUUFBPRN-FKBYEOEOSA-N -1 3 434.879 4.400 40 0 IIABHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc(O)c2)cc1 ZINC000009424913 569296236 /nfs/dbraw/zinc/29/62/36/569296236.db2.gz QQENCQLIBAWUEO-VXNXHJTFSA-N -1 3 444.487 4.232 40 0 IIABHM