smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1cc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccc(C)cc2)ccc1O ZINC000035092963 520786316 /nfs/dbraw/zinc/78/63/16/520786316.db2.gz WRJJAINARFDXTG-HLIPFELVSA-N -1 3 438.402 3.203 40 0 IGABHM CC(=O)OC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3[O-])C(=O)[C@H]12 ZINC000001639516 555707551 /nfs/dbraw/zinc/70/75/51/555707551.db2.gz HRTYZVGCRUWRMX-ZQFKLAOWSA-N -1 3 425.440 3.464 40 0 IGABHM CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(Cl)c2)cc1 ZINC000408550239 555862401 /nfs/dbraw/zinc/86/24/01/555862401.db2.gz BTIZSBVYYHFSRV-ZDUSSCGKSA-N -1 3 426.922 3.443 40 0 IGABHM COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4C(=O)[O-])[C@H]3C2=O)cc1 ZINC000034807533 555907906 /nfs/dbraw/zinc/90/79/06/555907906.db2.gz IJYVDSXEAORJEH-VSKRKVRLSA-N -1 3 444.443 3.445 40 0 IGABHM CCc1cccc(C(C)C)c1NC(=O)C([O-])=C(Cc1nc2ccccc2[nH]c1=O)C(=O)OC ZINC000008653630 556196863 /nfs/dbraw/zinc/19/68/63/556196863.db2.gz HIZPXEKYWKIHGU-KRWDZBQOSA-N -1 3 449.507 3.148 40 0 IGABHM CCOc1ccccc1NC(=O)C1CC(=O)Nc2nc(Nc3ccc(F)cc3)[n-]c(=O)c21 ZINC000040399643 556642094 /nfs/dbraw/zinc/64/20/94/556642094.db2.gz PDWAATPYKLLVLD-CQSZACIVSA-N -1 3 437.431 3.116 40 0 IGABHM CSCC[C@H](NC(=O)c1cc(C(C)(C)C)n[nH]1)c1cc(=O)[n-]c(-c2cccnc2)n1 ZINC000019083708 556698255 /nfs/dbraw/zinc/69/82/55/556698255.db2.gz RCAYPTDRHIJFQY-AWEZNQCLSA-N -1 3 426.546 3.489 40 0 IGABHM Cc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C)n2)cc1C ZINC000019214333 556711262 /nfs/dbraw/zinc/71/12/62/556711262.db2.gz RYSBPPFVCQXPNE-QFIPXVFZSA-N -1 3 436.537 3.439 40 0 IGABHM O=C(Cc1cccs1)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CCN(C2CCCCC2)C3)C1 ZINC000019343146 556741072 /nfs/dbraw/zinc/74/10/72/556741072.db2.gz UVTFHIRGCIQWTF-MRXNPFEDSA-N -1 3 426.586 3.081 40 0 IGABHM O=C(C1CCCC1)N1CCC[C@H](c2nc3c(c(=O)[n-]2)CN(Cc2cccs2)CC3)C1 ZINC000019343613 556741358 /nfs/dbraw/zinc/74/13/58/556741358.db2.gz PUWRFTIUZDSTDP-KRWDZBQOSA-N -1 3 426.586 3.286 40 0 IGABHM O=C(Cc1ccccc1)N1CCCC[C@H]1c1cc2nc3c(c(=O)n2[n-]1)CN(CC1CC1)CC3 ZINC000019370204 556747520 /nfs/dbraw/zinc/74/75/20/556747520.db2.gz BKYIJKYGFVRANQ-QHCPKHFHSA-N -1 3 445.567 3.499 40 0 IGABHM O=C(CCCn1ccnc1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCC1)C2 ZINC000019403593 556754231 /nfs/dbraw/zinc/75/42/31/556754231.db2.gz ZKJDPGMDPBGRMP-OAQYLSRUSA-N -1 3 438.576 3.213 40 0 IGABHM CC(C)N1CCc2c(=O)[n-]c([C@H]3CCCN3S(=O)(=O)c3ccc(Cl)cc3)nc2C1 ZINC000019448423 556758049 /nfs/dbraw/zinc/75/80/49/556758049.db2.gz KNMBFSVFPNUKTE-GOSISDBHSA-N -1 3 436.965 3.128 40 0 IGABHM O=C(c1ccccc1)N1CCC[C@H](c2nc3c(nnn3Cc3cccc(Cl)c3)c(=O)[n-]2)C1 ZINC000001333905 556775425 /nfs/dbraw/zinc/77/54/25/556775425.db2.gz ZTIRECMXRKSXKI-KRWDZBQOSA-N -1 3 448.914 3.236 40 0 IGABHM CCc1nn(C)c(C(=O)N[C@@H](Cc2cc(=O)[n-]c(-c3cccnc3)n2)c2ccccc2)c1C ZINC000019521045 556777815 /nfs/dbraw/zinc/77/78/15/556777815.db2.gz FXVLQEBBOCRRGW-NRFANRHFSA-N -1 3 442.523 3.150 40 0 IGABHM COc1ccc(CN2CCc3nc([C@H]4CCN(C(=O)[C@H]5CC=CCC5)C4)[n-]c(=O)c3C2)cc1 ZINC000019555552 556798714 /nfs/dbraw/zinc/79/87/14/556798714.db2.gz WUTHUAUABDRREL-PMACEKPBSA-N -1 3 448.567 3.421 40 0 IGABHM COc1ccc(CCCC(=O)N2CC[C@H](c3cc(=O)[n-]c(-c4ccncc4)n3)C2)c(C)c1 ZINC000019570542 556810349 /nfs/dbraw/zinc/81/03/49/556810349.db2.gz MZMMFHOCQCGBPE-FQEVSTJZSA-N -1 3 432.524 3.488 40 0 IGABHM COc1ccccc1CN1CCc2nc([C@@H]3CCN(C(=O)C4CCCC4)C3)[n-]c(=O)c2C1 ZINC000019570584 556810586 /nfs/dbraw/zinc/81/05/86/556810586.db2.gz JXOSRRATCXOWGX-LJQANCHMSA-N -1 3 436.556 3.255 40 0 IGABHM CCn1nccc1C(=O)N1CCc2nc([C@@H]3CCCN3C[C@@H]3CC=CCC3)[n-]c(=O)c2C1 ZINC000257295009 556999955 /nfs/dbraw/zinc/99/99/55/556999955.db2.gz QWPHMSAXUAZNNC-XLIONFOSSA-N -1 3 436.560 3.090 40 0 IGABHM Cc1ccccc1N1C(=O)[C@H](OC(=O)c2ccccc2)C(OC(=O)c2ccccc2)=C1[O-] ZINC000409280716 557046357 /nfs/dbraw/zinc/04/63/57/557046357.db2.gz BYOUOUGMRLCDDW-OYRHEFFESA-N -1 3 429.428 3.319 40 0 IGABHM Cc1ccccc1N1C(=O)[C@@H](OC(=O)c2ccccc2)C(OC(=O)c2ccccc2)=C1[O-] ZINC000409280716 557046360 /nfs/dbraw/zinc/04/63/60/557046360.db2.gz BYOUOUGMRLCDDW-OYRHEFFESA-N -1 3 429.428 3.319 40 0 IGABHM O=C(OC1=C([O-])N(c2ccc(F)cc2)C(=O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000409306162 557058766 /nfs/dbraw/zinc/05/87/66/557058766.db2.gz OLJMORHAIRUQJF-BGYRXZFFSA-N -1 3 433.391 3.150 40 0 IGABHM O=C(OC1=C([O-])N(c2ccc(F)cc2)C(=O)[C@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000409306162 557058770 /nfs/dbraw/zinc/05/87/70/557058770.db2.gz OLJMORHAIRUQJF-BGYRXZFFSA-N -1 3 433.391 3.150 40 0 IGABHM CS(=O)(=O)[N-]c1ccc(C(=O)NCc2nc(-c3ccccc3Cl)no2)c(Cl)c1 ZINC000219287372 557235822 /nfs/dbraw/zinc/23/58/22/557235822.db2.gz WVFVYLAYFXCOAY-UHFFFAOYSA-N -1 3 441.296 3.345 40 0 IGABHM CCC(=O)N1CCc2nc3cc([C@H]4CCCN(Cc5ccccc5F)C4)[n-]n3c(=O)c2C1 ZINC000100233709 557250896 /nfs/dbraw/zinc/25/08/96/557250896.db2.gz QBISCNHHXUZRNQ-KRWDZBQOSA-N -1 3 437.519 3.248 40 0 IGABHM CC(C)c1cc(C(=O)N2CCC[C@H]2c2cc3nc4c(c(=O)n3[n-]2)CCN(C(C)C)C4)no1 ZINC000100234305 557252366 /nfs/dbraw/zinc/25/23/66/557252366.db2.gz BIRAAYNTCJPXSK-IBGZPJMESA-N -1 3 438.532 3.290 40 0 IGABHM COc1ccc(Cl)cc1C(=O)N1CC[C@@H](c2nc(-c3ccc[nH]c3=O)cc(=O)[n-]2)C1 ZINC000100745484 557275740 /nfs/dbraw/zinc/27/57/40/557275740.db2.gz PXNARNTVMKHMHN-GFCCVEGCSA-N -1 3 426.860 3.242 40 0 IGABHM CCCCCC(=O)N1CCC[C@@H](c2nc3c(nnn3Cc3ccc(F)cc3)c(=O)[n-]2)C1 ZINC000013083471 557276456 /nfs/dbraw/zinc/27/64/56/557276456.db2.gz WBJYIEJIOVWSHW-MRXNPFEDSA-N -1 3 426.496 3.401 40 0 IGABHM COc1ccc(C(=O)N2CCC[C@H](c3nc4c(nnn4Cc4ccccc4)c(=O)[n-]3)C2)cc1 ZINC000013083757 557277003 /nfs/dbraw/zinc/27/70/03/557277003.db2.gz XXLNUWURRLQQET-SFHVURJKSA-N -1 3 444.495 3.004 40 0 IGABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl)NCc1ccccn1 ZINC000013566401 557344539 /nfs/dbraw/zinc/34/45/39/557344539.db2.gz UFGPYAVJHZHCIW-UHFFFAOYSA-N -1 3 449.891 3.370 40 0 IGABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2)ccc1OCC(=O)N(C)C ZINC000223244539 557450732 /nfs/dbraw/zinc/45/07/32/557450732.db2.gz LJJILIOKGULCKO-UHFFFAOYSA-N -1 3 427.320 3.025 40 0 IGABHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C)c1ccc2c(c1)OCCO2 ZINC000018941146 557497560 /nfs/dbraw/zinc/49/75/60/557497560.db2.gz UBJFSLNWZJUSPX-LLVKDONJSA-N -1 3 428.304 3.268 40 0 IGABHM COc1cccc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)Cc3ccccc3)cc2)c1 ZINC000224545892 557620020 /nfs/dbraw/zinc/62/00/20/557620020.db2.gz XJPUKQMDMPRXGU-UHFFFAOYSA-N -1 3 432.523 3.438 40 0 IGABHM COc1cccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3ccccc3)cc2)c1 ZINC000224545892 557620022 /nfs/dbraw/zinc/62/00/22/557620022.db2.gz XJPUKQMDMPRXGU-UHFFFAOYSA-N -1 3 432.523 3.438 40 0 IGABHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2)cc1C(=O)N1CCCC1 ZINC000224913677 557666324 /nfs/dbraw/zinc/66/63/24/557666324.db2.gz XCYDKLGMUQYKJK-UHFFFAOYSA-N -1 3 429.542 3.332 40 0 IGABHM COc1ccccc1CN1CCc2nc([C@H]3CCN(C(=O)C[C@@H]4C=CCC4)C3)[n-]c(=O)c2C1 ZINC000248126815 569207195 /nfs/dbraw/zinc/20/71/95/569207195.db2.gz HUGXMROWVOQRKB-QUCCMNQESA-N -1 3 448.567 3.421 40 0 IGABHM O=S(=O)(NCC1CCC(c2ccnc([N-]c3cnccn3)n2)CC1)c1ccc(F)cc1 ZINC000072377727 569250041 /nfs/dbraw/zinc/25/00/41/569250041.db2.gz LZBUVJBVBRRCPY-UHFFFAOYSA-N -1 3 442.520 3.402 40 0 IGABHM COc1ccc(CNC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC000107946923 569251813 /nfs/dbraw/zinc/25/18/13/569251813.db2.gz FVSXYEVIMSJFLS-UHFFFAOYSA-N -1 3 444.484 3.330 40 0 IGABHM CCOc1ccccc1NC(=O)C1CC(=O)Nc2nc(N3CCCC[C@H]3CC)[n-]c(=O)c21 ZINC000139114898 569254722 /nfs/dbraw/zinc/25/47/22/569254722.db2.gz VXCIMTMSBSQYJU-HUUCEWRRSA-N -1 3 439.516 3.002 40 0 IGABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)Nc1ccc2c(c1)OCO2 ZINC000408528905 555722268 /nfs/dbraw/zinc/72/22/68/555722268.db2.gz HMMGYQYBGITSNV-UHFFFAOYSA-N -1 3 444.440 3.373 40 0 IGABHM CCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(Cl)c2)cc1 ZINC000408552763 555880959 /nfs/dbraw/zinc/88/09/59/555880959.db2.gz NPHICOIMSSUGKS-UHFFFAOYSA-N -1 3 426.922 3.445 40 0 IGABHM CCN(c1ccc(C(=O)[N-]C2=S=C(c3ccc(C)cc3)N=N2)cc1)S(=O)(=O)CC ZINC000408717955 556140260 /nfs/dbraw/zinc/14/02/60/556140260.db2.gz YWKUKTQWCIJPJE-UHFFFAOYSA-N -1 3 430.555 3.365 40 0 IGABHM Cc1nc2c(nnn2C[C@H]2CCCN(C(=O)[C@H](c3ccccc3)C3CCCC3)C2)c(=O)[n-]1 ZINC000012085008 556398951 /nfs/dbraw/zinc/39/89/51/556398951.db2.gz IEYJUGSKLCYBSX-FXAWDEMLSA-N -1 3 434.544 3.448 40 0 IGABHM COc1ccccc1Nc1nc2c(c(=O)[n-]1)C(C(=O)Nc1cc(C)ccc1C)CC(=O)N2 ZINC000040400146 556642944 /nfs/dbraw/zinc/64/29/44/556642944.db2.gz RADCAKHDEBYWPQ-AWEZNQCLSA-N -1 3 433.468 3.203 40 0 IGABHM COc1cccc(O[C@@H](C)C(=O)N2CCC(c3nc(-c4ccccn4)cc(=O)[n-]3)CC2)c1 ZINC000019078018 556695235 /nfs/dbraw/zinc/69/52/35/556695235.db2.gz FZEBQRJDIQBOML-INIZCTEOSA-N -1 3 434.496 3.426 40 0 IGABHM Cc1cccc(CN2CCC[C@@H]2c2nc3c(c(=O)[n-]2)CN(C(=O)c2ccc(F)cc2)CC3)n1 ZINC000019236237 556720752 /nfs/dbraw/zinc/72/07/52/556720752.db2.gz NIIQTYDECYMMMZ-JOCHJYFZSA-N -1 3 447.514 3.148 40 0 IGABHM Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cc(C(F)(F)F)n(C)n2)cc(=O)[n-]1 ZINC000019285136 556726910 /nfs/dbraw/zinc/72/69/10/556726910.db2.gz GENSTUUZLMOYEZ-HNNXBMFYSA-N -1 3 444.417 3.026 40 0 IGABHM O=C(CCC1CCCC1)N1CC[C@H](c2nc3c(c(=O)[n-]2)CN(Cc2cccnc2)CC3)C1 ZINC000019339396 556739398 /nfs/dbraw/zinc/73/93/98/556739398.db2.gz IYLBZVVGKWVUNC-FQEVSTJZSA-N -1 3 435.572 3.010 40 0 IGABHM CC(C)(C)CC(=O)N1CCC[C@@H](c2nc3c(nnn3Cc3cccc(Cl)c3)c(=O)[n-]2)C1 ZINC000001325195 556771022 /nfs/dbraw/zinc/77/10/22/556771022.db2.gz MADFEIZREBYSFV-OAHLLOKOSA-N -1 3 442.951 3.359 40 0 IGABHM O=C(Nc1ccc(F)cc1)N1CCC(c2nc3c(nnn3Cc3ccccc3)c(=O)[n-]2)CC1 ZINC000001325138 556771198 /nfs/dbraw/zinc/77/11/98/556771198.db2.gz SIQTYVRNBDFJIE-UHFFFAOYSA-N -1 3 447.474 3.114 40 0 IGABHM CCn1nc2c(c1C(=O)N1CCC[C@H]1c1nc3c(c(=O)[n-]1)CCN(C(C)C)C3)CCCC2 ZINC000019524091 556781376 /nfs/dbraw/zinc/78/13/76/556781376.db2.gz KMPIYINPSJWKPV-FQEVSTJZSA-N -1 3 438.576 3.021 40 0 IGABHM Cc1nn([C@H](C)CC(=O)N2CCC[C@@H]2c2nc3c(c(=O)[n-]2)CCN(C(C)C)C3)c(C)c1C ZINC000019556137 556798981 /nfs/dbraw/zinc/79/89/81/556798981.db2.gz LSKBLZOGCTWWSS-QVKFZJNVSA-N -1 3 440.592 3.385 40 0 IGABHM Cc1cc(OCC(=O)N2CC[C@@H](c3cc(=O)[n-]c(-c4ccncc4)n3)C2)cc(C)c1Cl ZINC000019569905 556810153 /nfs/dbraw/zinc/81/01/53/556810153.db2.gz PKMPSYVFUQZFRG-QGZVFWFLSA-N -1 3 438.915 3.497 40 0 IGABHM Cc1nc([C@@H]2CCCN2C(=O)C[C@@H]2NC(=O)c3ccccc32)[n-]c(=O)c1Cc1ccccc1 ZINC000019579207 556816651 /nfs/dbraw/zinc/81/66/51/556816651.db2.gz XXFXZPBZGNPZRK-VXKWHMMOSA-N -1 3 442.519 3.207 40 0 IGABHM Cc1nc([C@@H]2CCCN2C(=O)C[C@H]2NC(=O)c3ccccc32)[n-]c(=O)c1Cc1ccccc1 ZINC000019579213 556816665 /nfs/dbraw/zinc/81/66/65/556816665.db2.gz XXFXZPBZGNPZRK-YADHBBJMSA-N -1 3 442.519 3.207 40 0 IGABHM CN1CCc2nc([C@@H]3CCCN(C(=O)CCc4nc5ccccc5s4)C3)[n-]c(=O)c2C1 ZINC000019590241 556825395 /nfs/dbraw/zinc/82/53/95/556825395.db2.gz IAZIJRKNKBTROE-OAHLLOKOSA-N -1 3 437.569 3.119 40 0 IGABHM COc1ncccc1-c1cc(=O)[n-]c([C@H]2CCCN2C(=O)c2ccc3ccccc3n2)n1 ZINC000019594658 556830404 /nfs/dbraw/zinc/83/04/04/556830404.db2.gz ADDXMFMLNLPQQY-HXUWFJFHSA-N -1 3 427.464 3.366 40 0 IGABHM C[C@@H]1CN(c2nc3c(c(=O)[n-]2)CCN(Cc2cc(Br)cs2)C3)C[C@@H](C)O1 ZINC000072335488 556908535 /nfs/dbraw/zinc/90/85/35/556908535.db2.gz NGWMRTYAFJMYEY-VXGBXAGGSA-N -1 3 439.379 3.178 40 0 IGABHM COc1ccccc1CNC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1 ZINC000409378635 557093989 /nfs/dbraw/zinc/09/39/89/557093989.db2.gz QSBPGENSQZEMEN-UHFFFAOYSA-N -1 3 440.521 3.500 40 0 IGABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)NCCc1ccccc1 ZINC000409393829 557097820 /nfs/dbraw/zinc/09/78/20/557097820.db2.gz YKZKJNBBFBAGTM-UHFFFAOYSA-N -1 3 428.485 3.364 40 0 IGABHM CC(=O)N1CCc2nc3cc([C@H]4CCCCN4Cc4sccc4C)[n-]n3c(=O)c2C1 ZINC000100243125 557255449 /nfs/dbraw/zinc/25/54/49/557255449.db2.gz FITUTPUIXIYXAD-LJQANCHMSA-N -1 3 425.558 3.437 40 0 IGABHM N[C@@H](Cc1ccc(F)cc1)C(=O)NC[C@H]1CC[C@H](c2ccnc([N-]c3ncccn3)n2)CC1 ZINC000100708854 557270717 /nfs/dbraw/zinc/27/07/17/557270717.db2.gz UIISZAIDRRIPFH-NSHGMRRFSA-N -1 3 449.534 3.109 40 0 IGABHM CC(C)(C)OC(=O)N1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000072203302 557340886 /nfs/dbraw/zinc/34/08/86/557340886.db2.gz QIQAMKJWIOVPNO-SNVBAGLBSA-N -1 3 425.370 3.188 40 0 IGABHM CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(C(=O)[O-])c1 ZINC000223280378 557455292 /nfs/dbraw/zinc/45/52/92/557455292.db2.gz WNSNJBKHGHYYKP-NHCUHLMSSA-N -1 3 435.553 3.105 40 0 IGABHM COc1ccc(Br)cc1S(=O)(=O)[N-]Cc1nc(-c2ccccc2C)no1 ZINC000223481940 557477541 /nfs/dbraw/zinc/47/75/41/557477541.db2.gz SNCHWAHTCWHYEJ-UHFFFAOYSA-N -1 3 438.303 3.295 40 0 IGABHM O=S(=O)(Cc1ccc(F)cc1)[N-]Cc1nc(-c2cccc(Br)c2)no1 ZINC000223651722 557497516 /nfs/dbraw/zinc/49/75/16/557497516.db2.gz NRURVENAMSIYAQ-UHFFFAOYSA-N -1 3 426.267 3.258 40 0 IGABHM COc1ccccc1OC[C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1OC ZINC000223755834 557509452 /nfs/dbraw/zinc/50/94/52/557509452.db2.gz ZPFXYUAJIFPKQQ-LBPRGKRZSA-N -1 3 430.320 3.212 40 0 IGABHM COc1ccc([C@@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)cc1 ZINC000224337198 557593474 /nfs/dbraw/zinc/59/34/74/557593474.db2.gz RCGGEDZURWANRF-CYBMUJFWSA-N -1 3 432.527 3.147 40 0 IGABHM COc1ccc(Br)cc1S(=O)(=O)[N-]Cc1ccc(-n2ccnc2C)cc1 ZINC000224768927 557649786 /nfs/dbraw/zinc/64/97/86/557649786.db2.gz UYTMKSINQVGNKG-UHFFFAOYSA-N -1 3 436.331 3.430 40 0 IGABHM COc1cc(-c2cc(-c3cc(Br)c([O-])c(OC)c3)nn2CCO)ccc1O ZINC000257256556 568691458 /nfs/dbraw/zinc/69/14/58/568691458.db2.gz KLZOAVBMPZEIPV-UHFFFAOYSA-N -1 3 435.274 3.400 40 0 IGABHM CN(C(=O)c1cc(OCc2ccccc2)ccc1[O-])[C@@H]1CC[C@@H](Oc2cccnc2)[C@@H]1O ZINC000257338404 568728011 /nfs/dbraw/zinc/72/80/11/568728011.db2.gz YXGHQXYHFZDUCH-GMKZXUHWSA-N -1 3 434.492 3.409 40 0 IGABHM COc1ccccc1CN1CCc2nc([C@@H]3CCN(C(=O)[C@@H]4CC=CCC4)C3)[n-]c(=O)c2C1 ZINC000248154913 569207331 /nfs/dbraw/zinc/20/73/31/569207331.db2.gz YOPAFSIOMFULCR-UYAOXDASSA-N -1 3 448.567 3.421 40 0 IGABHM C[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1cccc3ccccc31)CC(=O)N2 ZINC000139093210 569254539 /nfs/dbraw/zinc/25/45/39/569254539.db2.gz APPMMNZDRDGGQB-WMLDXEAASA-N -1 3 431.496 3.366 40 0 IGABHM Cc1ccc(C)c(Cn2nnc3c2nc([C@H]2CCCN(C(=O)C4CCCCC4)C2)[n-]c3=O)c1 ZINC000012467488 524115021 /nfs/dbraw/zinc/11/50/21/524115021.db2.gz BPELOIYCNAWXDY-IBGZPJMESA-N -1 3 448.571 3.466 40 0 IGABHM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(O[C@H](C)C(=O)N2CCOCC2)cc1 ZINC000408597641 555955555 /nfs/dbraw/zinc/95/55/55/555955555.db2.gz VRGFXLHWBBZKIK-OAHLLOKOSA-N -1 3 438.933 3.075 40 0 IGABHM Cc1cc(C(=O)Nc2ccc(I)cc2)ccc1[N-]S(C)(=O)=O ZINC000010329626 556331797 /nfs/dbraw/zinc/33/17/97/556331797.db2.gz XCWLKYCRVLEQCS-UHFFFAOYSA-N -1 3 430.267 3.223 40 0 IGABHM Cc1ccc(C)c(NC(=O)C2CC(=O)Nc3nc(N4CCc5ccccc5C4)[n-]c(=O)c32)c1 ZINC000040390738 556637506 /nfs/dbraw/zinc/63/75/06/556637506.db2.gz NBUMEFAXFYSZDY-SFHVURJKSA-N -1 3 443.507 3.014 40 0 IGABHM COc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc(C)cc2F)CC(=O)N3)cc1 ZINC000040399971 556642708 /nfs/dbraw/zinc/64/27/08/556642708.db2.gz YWCOEVPVPXREFV-AWEZNQCLSA-N -1 3 437.431 3.034 40 0 IGABHM COc1cccc(O[C@@H](C)C(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[n-]3)CC2)c1 ZINC000019078061 556695127 /nfs/dbraw/zinc/69/51/27/556695127.db2.gz HXFWCIQQQKJIDA-AWEZNQCLSA-N -1 3 440.525 3.488 40 0 IGABHM COc1cccc(OC)c1C(=O)N[C@H](Cc1cc(=O)[n-]c(C)n1)c1ccc(Cl)cc1 ZINC000019285312 556727239 /nfs/dbraw/zinc/72/72/39/556727239.db2.gz WOINCJCSMMDUMG-QGZVFWFLSA-N -1 3 427.888 3.463 40 0 IGABHM O=C(CC1CCCCC1)N[C@H](Cc1cc(=O)[n-]c(N2CCOCC2)n1)c1ccc(F)cc1 ZINC000019332512 556737474 /nfs/dbraw/zinc/73/74/74/556737474.db2.gz SIYWITGXPNTYMI-OAQYLSRUSA-N -1 3 442.535 3.116 40 0 IGABHM O=C(c1cccs1)N1CCc2c(=O)[n-]c([C@@H]3CCCN3C(=O)[C@@H]3CC=CCC3)nc2C1 ZINC000019342859 556741152 /nfs/dbraw/zinc/74/11/52/556741152.db2.gz NYNVCRSZDPGJDA-QAPCUYQASA-N -1 3 438.553 3.050 40 0 IGABHM CC(C)N1CCc2c(nc([C@H]3CCCCN3C(=O)Cc3ccc(N(C)C)cc3)[n-]c2=O)C1 ZINC000019448343 556757618 /nfs/dbraw/zinc/75/76/18/556757618.db2.gz RSGZFYSHCFIBBT-JOCHJYFZSA-N -1 3 437.588 3.311 40 0 IGABHM CC(C)n1cc(C(=O)N[C@@H](Cc2cc(=O)[n-]c(-c3ccncc3)n2)c2ccc(F)cc2)cn1 ZINC000019454964 556765142 /nfs/dbraw/zinc/76/51/42/556765142.db2.gz BQMKOAJPXXLCBB-NRFANRHFSA-N -1 3 446.486 3.462 40 0 IGABHM CCCn1cc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)CCN(C2CCCC2)C3)cn1 ZINC000019526087 556783832 /nfs/dbraw/zinc/78/38/32/556783832.db2.gz ZQJHMCNQWVEMTO-NRFANRHFSA-N -1 3 438.576 3.457 40 0 IGABHM COc1ccc(C(=O)[N-]n2c(CC(C)C)nc3cc(OC)c(OC)cc3c2=O)c(OC)c1 ZINC000001365081 556789844 /nfs/dbraw/zinc/78/98/44/556789844.db2.gz OTXPZXDQNIVKAW-UHFFFAOYSA-N -1 3 441.484 3.013 40 0 IGABHM COc1cc(CN2CCC[C@H](c3cc(=O)[n-]c(N4CCCCC4)n3)C2)cc(OC)c1OC ZINC000019549743 556794655 /nfs/dbraw/zinc/79/46/55/556794655.db2.gz VNJZXHFMDUHTNN-SFHVURJKSA-N -1 3 442.560 3.166 40 0 IGABHM COc1ccc(CN2CCc3nc([C@H]4CCN(C(=O)C5CCCC5)C4)[n-]c(=O)c3C2)cc1 ZINC000019555558 556798544 /nfs/dbraw/zinc/79/85/44/556798544.db2.gz PWAPWOHWSHSCBY-IBGZPJMESA-N -1 3 436.556 3.255 40 0 IGABHM COc1ccc(CC(=O)N2CCC(c3nc(-c4ccsc4)cc(=O)[n-]3)CC2)cc1OC ZINC000019560383 556801813 /nfs/dbraw/zinc/80/18/13/556801813.db2.gz HOCRHZVXXWLVJW-UHFFFAOYSA-N -1 3 439.537 3.464 40 0 IGABHM COc1ncccc1-c1cc(=O)[n-]c([C@@H]2CCCN2C(=O)c2ccc3ccccc3n2)n1 ZINC000019594657 556830351 /nfs/dbraw/zinc/83/03/51/556830351.db2.gz ADDXMFMLNLPQQY-FQEVSTJZSA-N -1 3 427.464 3.366 40 0 IGABHM O=C([O-])[C@@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)Cc1ccc(Cl)cc1 ZINC000071980686 556889976 /nfs/dbraw/zinc/88/99/76/556889976.db2.gz TXNIUPYDGUNYHR-FQEVSTJZSA-N -1 3 428.916 3.187 40 0 IGABHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1Cl ZINC000020107876 556983782 /nfs/dbraw/zinc/98/37/82/556983782.db2.gz XCXHAIQTLAOHKZ-VMPITWQZSA-N -1 3 433.961 3.183 40 0 IGABHM CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)[N-]Cc2ccc(F)cc2)C[C@@H]1C ZINC000002459375 557225833 /nfs/dbraw/zinc/22/58/33/557225833.db2.gz SGNSZKHHSCXECH-NSHDSACASA-N -1 3 441.322 3.364 40 0 IGABHM CC(C)(C)OC(=O)N1CCC(C[N-]S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000072203299 557340541 /nfs/dbraw/zinc/34/05/41/557340541.db2.gz DVWROBGXFWYNPL-UHFFFAOYSA-N -1 3 439.397 3.436 40 0 IGABHM COc1ccc(Br)cc1S(=O)(=O)[N-]Cc1ccccc1-n1ccnc1C ZINC000115958519 557393140 /nfs/dbraw/zinc/39/31/40/557393140.db2.gz RFKHJYXRZUZWKT-UHFFFAOYSA-N -1 3 436.331 3.430 40 0 IGABHM Cc1ccc2c(c1)OC(C)(C)C[C@@H]2[N-]S(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 ZINC000223103896 557431772 /nfs/dbraw/zinc/43/17/72/557431772.db2.gz HSHIREGVMLCSTA-ZDUSSCGKSA-N -1 3 438.575 3.412 40 0 IGABHM CC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c(O)n(-c3ccc(Br)cc3)c(=O)c1-2 ZINC000104497077 557456552 /nfs/dbraw/zinc/45/65/52/557456552.db2.gz RZBICIHXRAOOIY-WBVHZDCISA-N -1 3 446.688 3.426 40 0 IGABHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000018941145 557497404 /nfs/dbraw/zinc/49/74/04/557497404.db2.gz UBJFSLNWZJUSPX-NSHDSACASA-N -1 3 428.304 3.268 40 0 IGABHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-n1cnnc1 ZINC000224595362 557628806 /nfs/dbraw/zinc/62/88/06/557628806.db2.gz YYAOYFKIVAJILK-RTWAWAEBSA-N -1 3 431.525 3.286 40 0 IGABHM CCCSc1nnc([N-]C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2OC)s1 ZINC000225200480 557699528 /nfs/dbraw/zinc/69/95/28/557699528.db2.gz IUARADJGLGZTKX-UHFFFAOYSA-N -1 3 442.588 3.086 40 0 IGABHM COc1ccc(NC(=O)C2([N-]S(=O)(=O)Cc3ccc(Cl)cc3F)CC2)cc1OC ZINC000225928528 557793709 /nfs/dbraw/zinc/79/37/09/557793709.db2.gz HQAYLLDQHBXINX-UHFFFAOYSA-N -1 3 442.896 3.087 40 0 IGABHM Cc1nc2cc([C@@H]3CCN(Cc4cccc(F)c4)C3)[n-]n2c(=O)c1CCC(=O)NC1CC1 ZINC000257282510 568703268 /nfs/dbraw/zinc/70/32/68/568703268.db2.gz OTZUKKQFOTYRDW-QGZVFWFLSA-N -1 3 437.519 3.083 40 0 IGABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl)NCc1ccncc1 ZINC000408586268 555935238 /nfs/dbraw/zinc/93/52/38/555935238.db2.gz AWUBSARWOURRMQ-UHFFFAOYSA-N -1 3 449.891 3.370 40 0 IGABHM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(O[C@@H](C)C(=O)N2CCOCC2)cc1 ZINC000408597639 555955529 /nfs/dbraw/zinc/95/55/29/555955529.db2.gz VRGFXLHWBBZKIK-HNNXBMFYSA-N -1 3 438.933 3.075 40 0 IGABHM CCS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1 ZINC000408703288 556108187 /nfs/dbraw/zinc/10/81/87/556108187.db2.gz QTYCNHLRSBJJQH-UHFFFAOYSA-N -1 3 427.482 3.224 40 0 IGABHM Cc1cc(C)cc(NC(=O)C2CC(=O)Nc3nc(N4CCc5ccccc5C4)[n-]c(=O)c32)c1 ZINC000040390728 556637654 /nfs/dbraw/zinc/63/76/54/556637654.db2.gz NXQKNTBJVCVRMZ-LJQANCHMSA-N -1 3 443.507 3.014 40 0 IGABHM COc1ccccc1Nc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccccc1Cl)CC(=O)N2 ZINC000040400082 556643038 /nfs/dbraw/zinc/64/30/38/556643038.db2.gz HXQSVMYRTPMYLI-LLVKDONJSA-N -1 3 439.859 3.240 40 0 IGABHM Cc1nc([C@H](Cc2c[nH]c3ccccc23)NS(=O)(=O)Cc2ccccc2F)cc(=O)[n-]1 ZINC000019285178 556727123 /nfs/dbraw/zinc/72/71/23/556727123.db2.gz IMFHCVQWQVGOIU-NRFANRHFSA-N -1 3 440.500 3.102 40 0 IGABHM O=C(Cc1ccc(F)cc1)N1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(C2CCCCC2)C3)C1 ZINC000019333179 556737826 /nfs/dbraw/zinc/73/78/26/556737826.db2.gz ZCANZVRZDWUAHD-SFHVURJKSA-N -1 3 438.547 3.158 40 0 IGABHM O=C(c1cccs1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)c1cccs1)C2 ZINC000019342874 556741101 /nfs/dbraw/zinc/74/11/01/556741101.db2.gz QMJIDWIFLJJDOB-OAHLLOKOSA-N -1 3 440.550 3.069 40 0 IGABHM O=C(Cc1ccccc1F)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CCN(C2CCCCC2)C3)C1 ZINC000019348047 556743608 /nfs/dbraw/zinc/74/36/08/556743608.db2.gz LSHLHBLACLNXNC-GOSISDBHSA-N -1 3 438.547 3.158 40 0 IGABHM O=C(CCc1ccccc1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1cccnc1)C2 ZINC000019370762 556748102 /nfs/dbraw/zinc/74/81/02/556748102.db2.gz BLEQBKOHAHHGTQ-QHCPKHFHSA-N -1 3 443.551 3.020 40 0 IGABHM O=C(CCc1ccccc1)N1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(C2CCCCC2)C3)C1 ZINC000019370651 556748152 /nfs/dbraw/zinc/74/81/52/556748152.db2.gz AWJYYSSSFYLBKL-FQEVSTJZSA-N -1 3 434.584 3.409 40 0 IGABHM O=C(Cc1ccsc1)N1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(C2CCCCC2)C3)C1 ZINC000019406418 556755039 /nfs/dbraw/zinc/75/50/39/556755039.db2.gz YZPGKWFDVDVWAD-KRWDZBQOSA-N -1 3 426.586 3.081 40 0 IGABHM CC(C)N1CCc2nc3cc([C@H]4CCCN(C(=O)Cc5ccccc5)C4)[n-]n3c(=O)c2C1 ZINC000019448079 556757229 /nfs/dbraw/zinc/75/72/29/556757229.db2.gz OVQKOUKQAFPBAB-IBGZPJMESA-N -1 3 433.556 3.150 40 0 IGABHM CCC(=O)N1CCc2c(=O)[n-]c([C@@H]3CCCCN3C(=O)c3cccc(Cl)c3)nc2C1 ZINC000019499131 556771187 /nfs/dbraw/zinc/77/11/87/556771187.db2.gz XMQJWPKHCAADIW-SFHVURJKSA-N -1 3 428.920 3.085 40 0 IGABHM CCCC(=O)N1CCc2nc([C@@H]3CCCN(Cc4ccc(F)c(F)c4)C3)[n-]c(=O)c2C1 ZINC000019501582 556772932 /nfs/dbraw/zinc/77/29/32/556772932.db2.gz ZWMMPHZPOCLCEG-MRXNPFEDSA-N -1 3 430.499 3.113 40 0 IGABHM Cc1ccc(Cn2nnc3c2nc([C@@H]2CCCN(C(=O)NC4CCCCC4)C2)[n-]c3=O)cc1 ZINC000001334353 556775735 /nfs/dbraw/zinc/77/57/35/556775735.db2.gz AFZUZNWVBUGRIV-GOSISDBHSA-N -1 3 449.559 3.093 40 0 IGABHM O=C(Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000019937677 556951366 /nfs/dbraw/zinc/95/13/66/556951366.db2.gz GUVQOFSRCNUBIG-UHFFFAOYSA-N -1 3 426.879 3.121 40 0 IGABHM Cc1nn([C@@H](C)CC(=O)N2CCC[C@@H]2c2nc3c(c(=O)[n-]2)CCN(C(C)C)C3)c(C)c1C ZINC000072398785 556970611 /nfs/dbraw/zinc/97/06/11/556970611.db2.gz LSKBLZOGCTWWSS-YCRPNKLZSA-N -1 3 440.592 3.385 40 0 IGABHM COc1ccc(N2C(=O)[C@@H](OC(=O)c3ccccc3)C(OC(=O)c3ccccc3)=C2[O-])cc1 ZINC000409275400 557043831 /nfs/dbraw/zinc/04/38/31/557043831.db2.gz JEEKYQMYRVSOQI-OYRHEFFESA-N -1 3 445.427 3.020 40 0 IGABHM COc1ccc(N2C(=O)[C@H](OC(=O)c3ccccc3)C(OC(=O)c3ccccc3)=C2[O-])cc1 ZINC000409275400 557043833 /nfs/dbraw/zinc/04/38/33/557043833.db2.gz JEEKYQMYRVSOQI-OYRHEFFESA-N -1 3 445.427 3.020 40 0 IGABHM O=C(CCc1ccccc1)N1CCC[C@H](c2nc3c(nnn3Cc3ccccc3)c(=O)[n-]2)C1 ZINC000013083725 557276832 /nfs/dbraw/zinc/27/68/32/557276832.db2.gz FYPPUWLQLYGYPP-FQEVSTJZSA-N -1 3 442.523 3.314 40 0 IGABHM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1N1C(=O)CCC1=O ZINC000222602390 557359872 /nfs/dbraw/zinc/35/98/72/557359872.db2.gz MYWQKJSXZJFUBV-UHFFFAOYSA-N -1 3 429.281 3.456 40 0 IGABHM CC(=O)Nc1ccc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000033665808 557469603 /nfs/dbraw/zinc/46/96/03/557469603.db2.gz GZPDJLSSJVCFBH-SNVBAGLBSA-N -1 3 430.313 3.257 40 0 IGABHM COc1ccc(NC(=O)C(C)(C)[N-]S(=O)(=O)Cc2cc(F)ccc2Cl)c(OC)c1 ZINC000225923618 557792991 /nfs/dbraw/zinc/79/29/91/557792991.db2.gz CBORMBZTKDTNNS-UHFFFAOYSA-N -1 3 444.912 3.333 40 0 IGABHM Cc1ccc(S(=O)(=O)N2CCC(c3cncc([N-]c4ncccn4)n3)CC2)cc1F ZINC000257329573 568724049 /nfs/dbraw/zinc/72/40/49/568724049.db2.gz XKNHGGCAHGDNDZ-UHFFFAOYSA-N -1 3 428.493 3.026 40 0 IGABHM Cc1ccsc1CN1CCc2nc([C@@H]3CCCN3C(=O)C[C@H]3CCCO3)[n-]c(=O)c2C1 ZINC000253599786 569209107 /nfs/dbraw/zinc/20/91/07/569209107.db2.gz UNNMZLDFUWJFHS-APWZRJJASA-N -1 3 442.585 3.343 40 0 IGABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccc(C)cc3)cc2)cc1 ZINC000033646998 569245254 /nfs/dbraw/zinc/24/52/54/569245254.db2.gz XXRPXSBBYYSFHH-UHFFFAOYSA-N -1 3 440.521 3.500 40 0 IGABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccncc3)c(C)c2)cc1 ZINC000033750475 569246495 /nfs/dbraw/zinc/24/64/95/569246495.db2.gz DVWBWLDKLPBKEN-UHFFFAOYSA-N -1 3 425.510 3.194 40 0 IGABHM C[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1cccc3ccccc31)CC(=O)N2 ZINC000139093098 569254623 /nfs/dbraw/zinc/25/46/23/569254623.db2.gz APPMMNZDRDGGQB-RHSMWYFYSA-N -1 3 431.496 3.366 40 0 IGABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCCn3ccnc3)cc2Cl)cc1 ZINC000020482150 525601556 /nfs/dbraw/zinc/60/15/56/525601556.db2.gz PGMTYDZQCVTCEM-UHFFFAOYSA-N -1 3 432.933 3.466 40 0 IGABHM O=C([O-])C[C@@H]1CCN(C(=O)Cc2ccccc2)C[C@@H]1CCN1CCN(c2ccccc2)CC1 ZINC000012481348 527629828 /nfs/dbraw/zinc/62/98/28/527629828.db2.gz SPLLSTZZZRRJMG-ZEQRLZLVSA-N -1 3 449.595 3.381 40 0 biogenic,in-vitro IGABHM CC(C)CNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000408553291 555882292 /nfs/dbraw/zinc/88/22/92/555882292.db2.gz QAVGGCGFRYSNPX-UHFFFAOYSA-N -1 3 441.347 3.401 40 0 IGABHM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(O[C@@H](C)C(=O)N2CCOCC2)cc1 ZINC000408597609 555965411 /nfs/dbraw/zinc/96/54/11/555965411.db2.gz VLUFYDBDVRDUPP-HNNXBMFYSA-N -1 3 438.933 3.075 40 0 IGABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1cccc(Br)c1 ZINC000408608822 555979120 /nfs/dbraw/zinc/97/91/20/555979120.db2.gz PUQRLPLWJHDMEZ-JTQLQIEISA-N -1 3 447.738 3.417 40 0 IGABHM C[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1cccc3ccccc31)CC(=O)N2 ZINC000040389095 556637003 /nfs/dbraw/zinc/63/70/03/556637003.db2.gz APPMMNZDRDGGQB-PBHICJAKSA-N -1 3 431.496 3.366 40 0 IGABHM CCc1ccccc1NC(=O)C1CC(=O)Nc2nc(Nc3ccccc3OC)[n-]c(=O)c21 ZINC000040400021 556642898 /nfs/dbraw/zinc/64/28/98/556642898.db2.gz IASPFDFBSMLDDE-CQSZACIVSA-N -1 3 433.468 3.149 40 0 IGABHM Cc1cccc(CN2CCC[C@H](c3nc4c(c(=O)[n-]3)CN(C(=O)c3cccs3)CC4)C2)n1 ZINC000019236232 556720811 /nfs/dbraw/zinc/72/08/11/556720811.db2.gz MLSMDERCUONELO-KRWDZBQOSA-N -1 3 449.580 3.113 40 0 IGABHM Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cc(C(C)(C)C)nn2C)cc(=O)[n-]1 ZINC000019285142 556726898 /nfs/dbraw/zinc/72/68/98/556726898.db2.gz GHEOGYCGIXXJSW-GOSISDBHSA-N -1 3 432.528 3.304 40 0 IGABHM O=C(CC1CCCCC1)N[C@@H](Cc1cc(=O)[n-]c(N2CCOCC2)n1)c1ccc(F)cc1 ZINC000019332516 556737600 /nfs/dbraw/zinc/73/76/00/556737600.db2.gz SIYWITGXPNTYMI-NRFANRHFSA-N -1 3 442.535 3.116 40 0 IGABHM O=C(CC1CCCCC1)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CCN(Cc2cccnc2)C3)C1 ZINC000019339507 556739293 /nfs/dbraw/zinc/73/92/93/556739293.db2.gz JQZAVSOPFKVFDE-HXUWFJFHSA-N -1 3 435.572 3.010 40 0 IGABHM O=C(Cc1ccccn1)N[C@@H](Cc1cc(=O)[n-]c(-c2ccncc2)n1)c1ccc(F)cc1 ZINC000019401267 556753882 /nfs/dbraw/zinc/75/38/82/556753882.db2.gz XZPIFRHUQQLBHT-NRFANRHFSA-N -1 3 429.455 3.009 40 0 IGABHM CC(C)N1CCc2nc3cc([C@@H]4CCCN(C(=O)Cc5ccccc5)C4)[n-]n3c(=O)c2C1 ZINC000019448077 556756963 /nfs/dbraw/zinc/75/69/63/556756963.db2.gz OVQKOUKQAFPBAB-LJQANCHMSA-N -1 3 433.556 3.150 40 0 IGABHM CCC(=O)N1CCc2c(=O)[n-]c([C@@H]3CCCCN3C(=O)c3cc4c(cccc4C)[nH]3)nc2C1 ZINC000019499123 556770984 /nfs/dbraw/zinc/77/09/84/556770984.db2.gz GUQRCHPCCHJIER-NRFANRHFSA-N -1 3 447.539 3.222 40 0 IGABHM O=C(CCC1CCCC1)N1CCC[C@@H](c2nc3c(nnn3Cc3ccccc3)c(=O)[n-]2)C1 ZINC000001334908 556775954 /nfs/dbraw/zinc/77/59/54/556775954.db2.gz MZEFNODMNOFGOC-LJQANCHMSA-N -1 3 434.544 3.239 40 0 IGABHM CCn1cc(C(=O)N2CCC[C@@H]2c2nc3c(c(=O)[n-]2)CCN(CC2CCCCC2)C3)cn1 ZINC000019524867 556782445 /nfs/dbraw/zinc/78/24/45/556782445.db2.gz UBJJFRLIDXRAEC-OAQYLSRUSA-N -1 3 438.576 3.314 40 0 IGABHM COc1ccc(CN2CCC[C@@H](c3cc(=O)[n-]c(N4CCCCC4)n3)C2)c(OC)c1OC ZINC000019552759 556796558 /nfs/dbraw/zinc/79/65/58/556796558.db2.gz WVEGMWQZIWMNQN-QGZVFWFLSA-N -1 3 442.560 3.166 40 0 IGABHM COc1ccc2cc(CN3CCc4c(nc(-c5ccncc5)[n-]c4=O)C3)c(OC)nc2c1 ZINC000019563977 556804570 /nfs/dbraw/zinc/80/45/70/556804570.db2.gz PYZRPWIVZULOKK-UHFFFAOYSA-N -1 3 429.480 3.368 40 0 IGABHM Cc1cc(CN2CCC[C@@H]2c2nc3c(c(=O)[n-]2)CCN(C(=O)c2ccncc2)C3)c(C)s1 ZINC000019567960 556808088 /nfs/dbraw/zinc/80/80/88/556808088.db2.gz DKFFMVXVXMVILH-OAQYLSRUSA-N -1 3 449.580 3.379 40 0 IGABHM Cc1ccc(CN2C(=O)N/C(=C\c3ccc([O-])c(I)c3)C2=O)cc1 ZINC000408961133 556900975 /nfs/dbraw/zinc/90/09/75/556900975.db2.gz AJSZXPLZKUPKQV-DHDCSXOGSA-N -1 3 434.233 3.398 40 0 IGABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000020009359 556959636 /nfs/dbraw/zinc/95/96/36/556959636.db2.gz NSTQCTBQKUTAKE-SFHVURJKSA-N -1 3 436.961 3.297 40 0 IGABHM CCCC(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)[C@H]3CC[C@H](OC)CC3)[n-]c2=O)C1 ZINC000257238662 556984834 /nfs/dbraw/zinc/98/48/34/556984834.db2.gz HLZBZMFCTZVVCA-MBOZVWFJSA-N -1 3 444.576 3.126 40 0 IGABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)NCc1ccncc1 ZINC000409392246 557096957 /nfs/dbraw/zinc/09/69/57/557096957.db2.gz QNVDWOHTARCJNB-UHFFFAOYSA-N -1 3 431.901 3.231 40 0 IGABHM COc1ccc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1OC ZINC000409392677 557097255 /nfs/dbraw/zinc/09/72/55/557097255.db2.gz SSYJBTLYFLJEGA-SNVBAGLBSA-N -1 3 433.313 3.316 40 0 IGABHM CC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c(O)n(-c3ccc(Br)cc3)c(=O)c1-2 ZINC000103769329 557139919 /nfs/dbraw/zinc/13/99/19/557139919.db2.gz BWLUUODADOFQTF-DOTOQJQBSA-N -1 3 446.688 3.426 40 0 IGABHM Cc1nc([C@H](Cc2c[nH]c3ccccc23)NS(=O)(=O)c2ccc(F)c(C)c2)cc(=O)[n-]1 ZINC000019570798 557501174 /nfs/dbraw/zinc/50/11/74/557501174.db2.gz FKSJROHMRLYOSM-NRFANRHFSA-N -1 3 440.500 3.269 40 0 IGABHM CC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c(O)n(-c3ccc(Br)cc3)c(=O)c1-2 ZINC000059416468 557822826 /nfs/dbraw/zinc/82/28/26/557822826.db2.gz BWLUUODADOFQTF-RDJZCZTQSA-N -1 3 446.688 3.426 40 0 IGABHM O=C1[N-]C(=O)C2(C(=O)N1)[C@@H](c1ccccc1Cl)CC(O)C[C@@H]2c1ccccc1Cl ZINC000008892872 569292111 /nfs/dbraw/zinc/29/21/11/569292111.db2.gz IXMSRPLKPNKWJO-HUUCEWRRSA-N -1 3 433.291 3.368 40 0 IGABHM COc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccccc3C(=O)[O-])[C@@H]2C1=O ZINC000009500162 569296968 /nfs/dbraw/zinc/29/69/68/569296968.db2.gz PFENJNKAHWXPSP-BDTNDASRSA-N -1 3 444.443 3.445 40 0 IGABHM CC(C)(C)CC(=O)N1C[C@H]2C[C@@H](C1)Cn1c2ccc([N-]S(=O)(=O)c2cccs2)c1=O ZINC000003841449 291353956 /nfs/dbraw/zinc/35/39/56/291353956.db2.gz CSLPWTPSZGUZLX-LSDHHAIUSA-N -1 3 449.598 3.093 40 0 biogenic,in-vitro IGABHM COc1ccccc1O[C@H](C)C(=O)N1CCC(c2nc(-c3ccccn3)cc(=O)[n-]2)CC1 ZINC000012219686 524690324 /nfs/dbraw/zinc/69/03/24/524690324.db2.gz YBJYJDHHYACXIZ-MRXNPFEDSA-N -1 3 434.496 3.426 40 0 IGABHM COc1ccc(OC)c(CC(=O)N2CCC[C@@H](c3nc(-c4ccncc4)cc(=O)[n-]3)C2)c1 ZINC000012256950 524811946 /nfs/dbraw/zinc/81/19/46/524811946.db2.gz HGBHODBSECZLBO-QGZVFWFLSA-N -1 3 434.496 3.210 40 0 IGABHM CCOCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1Cl ZINC000408588568 555940804 /nfs/dbraw/zinc/94/08/04/555940804.db2.gz DDQKAISTPDDTDK-UHFFFAOYSA-N -1 3 440.949 3.371 40 0 IGABHM CC(C)c1ccc([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)N3CCOCC3)cc2)cc1 ZINC000408590458 555947777 /nfs/dbraw/zinc/94/77/77/555947777.db2.gz GXMZWCBVRCXLNM-KRWDZBQOSA-N -1 3 432.542 3.237 40 0 IGABHM COC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000408592231 555953606 /nfs/dbraw/zinc/95/36/06/555953606.db2.gz KTICFGUEAROTOO-ZDUSSCGKSA-N -1 3 446.447 3.036 40 0 IGABHM COc1ccc([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)NCC(C)C)cc2)cc1OC ZINC000408606340 555966961 /nfs/dbraw/zinc/96/69/61/555966961.db2.gz OXMUBXFLQUYDKP-OAHLLOKOSA-N -1 3 436.530 3.044 40 0 IGABHM CCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1Cl ZINC000408637260 556020236 /nfs/dbraw/zinc/02/02/36/556020236.db2.gz YVVMIEWXUYRBEQ-UHFFFAOYSA-N -1 3 426.922 3.445 40 0 IGABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccco3)c(C)c2)cc1 ZINC000408675264 556067256 /nfs/dbraw/zinc/06/72/56/556067256.db2.gz UMXMKCXMLNCWLJ-UHFFFAOYSA-N -1 3 444.509 3.483 40 0 IGABHM CCOc1ccc(NC(=O)C2CC(=O)Nc3nc(N4[C@@H](C)CCC[C@@H]4C)[n-]c(=O)c32)cc1 ZINC000038828447 556620458 /nfs/dbraw/zinc/62/04/58/556620458.db2.gz LAKMPXNONCXLGI-ZQIUZPCESA-N -1 3 439.516 3.000 40 0 IGABHM Cc1cc(C)cc(NC(=O)C2CC(=O)Nc3nc(N4CCc5ccccc5C4)[n-]c(=O)c32)c1 ZINC000040390730 556637634 /nfs/dbraw/zinc/63/76/34/556637634.db2.gz NXQKNTBJVCVRMZ-IBGZPJMESA-N -1 3 443.507 3.014 40 0 IGABHM COc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc(C)cc2C)CC(=O)N3)cc1 ZINC000040399818 556642362 /nfs/dbraw/zinc/64/23/62/556642362.db2.gz HIVKKXYTQGWNII-MRXNPFEDSA-N -1 3 433.468 3.203 40 0 IGABHM COc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2cc(C)cc(C)c2)CC(=O)N3)cc1 ZINC000040399814 556642377 /nfs/dbraw/zinc/64/23/77/556642377.db2.gz VBJFAWLJCGZDJI-QGZVFWFLSA-N -1 3 433.468 3.203 40 0 IGABHM Cc1ccc(C(=O)N2CC[C@@H](c3nc4c(c(=O)[n-]3)CCN(Cc3cccnc3)C4)C2)cc1 ZINC000019135148 556705725 /nfs/dbraw/zinc/70/57/25/556705725.db2.gz VMDCUZZPVPTBIL-HXUWFJFHSA-N -1 3 429.524 3.074 40 0 IGABHM Cc1nccn1C[C@H](C)C(=O)N1CCC(Cc2nc(-c3ccsc3)cc(=O)[n-]2)CC1 ZINC000019287668 556728527 /nfs/dbraw/zinc/72/85/27/556728527.db2.gz YJHZEOSODVYMOS-HNNXBMFYSA-N -1 3 425.558 3.121 40 0 IGABHM O=C(c1cccs1)N1CCc2c(=O)[n-]c([C@@H]3CCCN3C(=O)[C@H]3CC=CCC3)nc2C1 ZINC000019342853 556740634 /nfs/dbraw/zinc/74/06/34/556740634.db2.gz NYNVCRSZDPGJDA-YJBOKZPZSA-N -1 3 438.553 3.050 40 0 IGABHM O=C(c1cccs1)N1CCc2c(=O)[n-]c([C@@H]3CCCN3C(=O)C3CCCCC3)nc2C1 ZINC000019342866 556740947 /nfs/dbraw/zinc/74/09/47/556740947.db2.gz VUCLBWYOLBKKFN-SFHVURJKSA-N -1 3 440.569 3.274 40 0 IGABHM O=C(Cc1cccs1)N1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(C2CCCCC2)C3)C1 ZINC000019343149 556740986 /nfs/dbraw/zinc/74/09/86/556740986.db2.gz UVTFHIRGCIQWTF-INIZCTEOSA-N -1 3 426.586 3.081 40 0 IGABHM O=C(CCc1ccccc1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1cccnc1)C2 ZINC000019370764 556748215 /nfs/dbraw/zinc/74/82/15/556748215.db2.gz BLEQBKOHAHHGTQ-HSZRJFAPSA-N -1 3 443.551 3.020 40 0 IGABHM COc1ccccc1CCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C(C)C)C2 ZINC000019448337 556757522 /nfs/dbraw/zinc/75/75/22/556757522.db2.gz LHTDQQIMKLETMQ-OAQYLSRUSA-N -1 3 438.572 3.231 40 0 IGABHM COc1cccc2c1cc(C(=O)N1CCC[C@H]1c1nc3c(c(=O)[n-]1)CCN(C(C)C)C3)n2C ZINC000019448399 556757931 /nfs/dbraw/zinc/75/79/31/556757931.db2.gz MMSVXCUHRCQCTN-FQEVSTJZSA-N -1 3 449.555 3.426 40 0 IGABHM 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/nfs/dbraw/zinc/20/88/59/569208859.db2.gz NANBQBIUWYNYBP-CZUORRHYSA-N -1 3 425.489 3.024 40 0 IGABHM CCOc1ccccc1NC(=O)C1CC(=O)Nc2nc(N3CCCC[C@H]3C)[n-]c(=O)c21 ZINC000253569531 569208866 /nfs/dbraw/zinc/20/88/66/569208866.db2.gz MKSQUBAFHWFNMZ-KGLIPLIRSA-N -1 3 425.489 3.024 40 0 IGABHM COCCn1c(SCC(=O)Nc2cc(C)on2)nnc1-c1cc2ccccc2cc1[O-] ZINC000012474722 522072129 /nfs/dbraw/zinc/07/21/29/522072129.db2.gz RNNNOOOKXINGSQ-UHFFFAOYSA-N -1 3 439.497 3.478 40 0 IGABHM CC(=O)OC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3[O-])C(=O)[C@H]12 ZINC000001639517 555707618 /nfs/dbraw/zinc/70/76/18/555707618.db2.gz HRTYZVGCRUWRMX-VUUXHMSQSA-N -1 3 425.440 3.464 40 0 IGABHM Cn1c(SCC(=O)Nc2nccs2)nnc1-c1cc(Br)ccc1[O-] ZINC000408545295 555794709 /nfs/dbraw/zinc/79/47/09/555794709.db2.gz XMSDUMQDPNOLQZ-UHFFFAOYSA-N -1 3 426.321 3.138 40 0 IGABHM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(O[C@H](C)C(=O)N2CCOCC2)cc1 ZINC000408590350 555947413 /nfs/dbraw/zinc/94/74/13/555947413.db2.gz GFQQLRQLWQXERH-QGZVFWFLSA-N -1 3 446.569 3.238 40 0 IGABHM CCOCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000408608527 555978418 /nfs/dbraw/zinc/97/84/18/555978418.db2.gz RHHKNVPBMALPBE-UHFFFAOYSA-N -1 3 440.949 3.371 40 0 IGABHM O=C(NCc1ccc2c(c1)OCO2)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000015271857 556514003 /nfs/dbraw/zinc/51/40/03/556514003.db2.gz FJCAXNUMFSJLQQ-UHFFFAOYSA-N -1 3 428.441 3.285 40 0 IGABHM CCOC(=O)CN1C(=O)S/C(=C/c2cc(Br)c([O-])c(OCC)c2)C1=O ZINC000032194126 556537217 /nfs/dbraw/zinc/53/72/17/556537217.db2.gz IAWKYEVEITYSTQ-KPKJPENVSA-N -1 3 430.276 3.153 40 0 IGABHM COc1ccc(CNC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000016216802 556592175 /nfs/dbraw/zinc/59/21/75/556592175.db2.gz PUBBUTBKQVARIA-UHFFFAOYSA-N -1 3 426.494 3.191 40 0 IGABHM COc1ccccc1CNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000016293376 556598407 /nfs/dbraw/zinc/59/84/07/556598407.db2.gz CUBZKFZVCJBNNL-UHFFFAOYSA-N -1 3 440.521 3.500 40 0 IGABHM CC(=O)c1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccc(C)cc4)[n-]c(=O)c32)cc1 ZINC000040400407 556643389 /nfs/dbraw/zinc/64/33/89/556643389.db2.gz AGGDAYOIEVPGRY-KRWDZBQOSA-N -1 3 431.452 3.089 40 0 IGABHM Cc1ccc(C(=O)N2CCc3nc([C@H]4CCCN(C(=O)C(C)(C)C)C4)[n-]c(=O)c3C2)cc1 ZINC000019135484 556706217 /nfs/dbraw/zinc/70/62/17/556706217.db2.gz RPMLCWVITUMDEB-SFHVURJKSA-N -1 3 436.556 3.441 40 0 IGABHM C[C@@]1(C2CCN(Cc3ccccc3OCC(=O)[O-])CC2)CN(c2ccccc2)C(=O)CO1 ZINC000257344370 556714624 /nfs/dbraw/zinc/71/46/24/556714624.db2.gz ZWXNWKXYPGPVIQ-VWLOTQADSA-N -1 3 438.524 3.184 40 0 IGABHM Cc1cnccc1C(=O)N1CCc2nc([C@H]3CCCN3CC3CCCCC3)[n-]c(=O)c2C1 ZINC000019239487 556725009 /nfs/dbraw/zinc/72/50/09/556725009.db2.gz SEGNFWYNDGBOGC-JOCHJYFZSA-N -1 3 435.572 3.389 40 0 IGABHM O=C(c1cccs1)N1CCc2c(=O)[n-]c([C@H]3CCCN3C(=O)C3CCCCC3)nc2C1 ZINC000019342869 556741027 /nfs/dbraw/zinc/74/10/27/556741027.db2.gz VUCLBWYOLBKKFN-GOSISDBHSA-N -1 3 440.569 3.274 40 0 IGABHM Cc1ccc(C)c(Cn2nnc3c2nc([C@H]2CCCN(C(=O)c4ccccc4)C2)[n-]c3=O)c1 ZINC000001334051 556775485 /nfs/dbraw/zinc/77/54/85/556775485.db2.gz LKWIPEBZOVRWEC-IBGZPJMESA-N -1 3 442.523 3.200 40 0 IGABHM CC(C)(C)CC(=O)N1CCC[C@H](c2nc3c(nnn3Cc3ccc(F)cc3)c(=O)[n-]2)C1 ZINC000004861957 556824988 /nfs/dbraw/zinc/82/49/88/556824988.db2.gz GETYKBSZVBASJL-HNNXBMFYSA-N -1 3 426.496 3.257 40 0 IGABHM COc1ccc([C@@H]2CC(=O)c3cnc4c(c(=O)[n-]c(=O)n4CCC(C)C)c3C2)cc1OC ZINC000019821245 556924481 /nfs/dbraw/zinc/92/44/81/556924481.db2.gz PJQDXYHGYLOESE-HNNXBMFYSA-N -1 3 437.496 3.061 40 0 IGABHM Cc1cccnc1Nc1ccc(C2CCN(C(=O)Cc3c(C)nc(C)[n-]c3=O)CC2)nc1 ZINC000072374252 556947387 /nfs/dbraw/zinc/94/73/87/556947387.db2.gz VJEOBQAPWDWWBB-UHFFFAOYSA-N -1 3 432.528 3.177 40 0 IGABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)NCc1ccco1 ZINC000020009464 556959953 /nfs/dbraw/zinc/95/99/53/556959953.db2.gz AJUIYCGRGSLWIJ-GOSISDBHSA-N -1 3 448.928 3.148 40 0 IGABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccc(F)cc3)cc2)cc1 ZINC000020020388 556964658 /nfs/dbraw/zinc/96/46/58/556964658.db2.gz SNCFUUAWRFFUKT-UHFFFAOYSA-N -1 3 444.484 3.330 40 0 IGABHM COc1ccc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c(OC)c1 ZINC000409391354 557096197 /nfs/dbraw/zinc/09/61/97/557096197.db2.gz NOLDOAKSBWLYBZ-SNVBAGLBSA-N -1 3 433.313 3.316 40 0 IGABHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N1CCN(c2ccccc2)CC1 ZINC000409393364 557097580 /nfs/dbraw/zinc/09/75/80/557097580.db2.gz VVMGQLDUSYEWKH-AWEZNQCLSA-N -1 3 442.368 3.009 40 0 IGABHM Nc1nnc(COc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)s1 ZINC000222642797 557367626 /nfs/dbraw/zinc/36/76/26/557367626.db2.gz DILJJAZKTFIOAJ-UHFFFAOYSA-N -1 3 441.332 3.263 40 0 IGABHM CC(C)Oc1cccc(C[N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)c1 ZINC000223204866 557445707 /nfs/dbraw/zinc/44/57/07/557445707.db2.gz ODMFKRLQNBEWNU-UHFFFAOYSA-N -1 3 432.527 3.056 40 0 IGABHM NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc3ccccc32)c(Br)c1 ZINC000019594442 557506372 /nfs/dbraw/zinc/50/63/72/557506372.db2.gz LDYGGTKSMQWWON-UHFFFAOYSA-N -1 3 441.328 3.051 40 0 IGABHM COc1ccccc1[C@@H](C)[N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1 ZINC000224910335 557665965 /nfs/dbraw/zinc/66/59/65/557665965.db2.gz STDRUEBGNGQBQK-CYBMUJFWSA-N -1 3 432.527 3.147 40 0 IGABHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccco2)ccc1[N-]S(C)(=O)=O ZINC000225414742 557720235 /nfs/dbraw/zinc/72/02/35/557720235.db2.gz WOXBKOAOPOJOCY-MOPGFXCFSA-N -1 3 444.538 3.232 40 0 IGABHM CCC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(OC4CCN(C)CC4)cc3)ccc21 ZINC000225628824 557754113 /nfs/dbraw/zinc/75/41/13/557754113.db2.gz FLCMUSPEFCHFBU-UHFFFAOYSA-N -1 3 443.569 3.260 40 0 IGABHM COc1cc2c(cc1CN1CCC(c3cncc([N-]c4ncccn4)n3)CC1)OCCO2 ZINC000257277825 568701210 /nfs/dbraw/zinc/70/12/10/568701210.db2.gz NZOSHZCAORCWCQ-UHFFFAOYSA-N -1 3 434.500 3.170 40 0 IGABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccccn3)cc2)c1 ZINC000107678434 569250869 /nfs/dbraw/zinc/25/08/69/569250869.db2.gz MRGZFXHGNLUTAQ-UHFFFAOYSA-N -1 3 425.510 3.194 40 0 IGABHM O=C1c2ccccc2C(=O)N1CSc1nc(-c2cc(Br)ccc2[O-])n[nH]1 ZINC000408543449 555790765 /nfs/dbraw/zinc/79/07/65/555790765.db2.gz PECPNWUFHGGEFD-UHFFFAOYSA-N -1 3 431.271 3.286 40 0 IGABHM O=C1c2ccccc2C(=O)N1CSc1n[nH]c(-c2cc(Br)ccc2[O-])n1 ZINC000408543449 555790769 /nfs/dbraw/zinc/79/07/69/555790769.db2.gz PECPNWUFHGGEFD-UHFFFAOYSA-N -1 3 431.271 3.286 40 0 IGABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC(C)(C)C)cc2)cc1Cl ZINC000408550584 555866684 /nfs/dbraw/zinc/86/66/84/555866684.db2.gz DOXVVBFJHDTHIN-UHFFFAOYSA-N -1 3 426.922 3.443 40 0 IGABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C(=O)Nc1cccc(Br)c1 ZINC000408608823 555979520 /nfs/dbraw/zinc/97/95/20/555979520.db2.gz PUQRLPLWJHDMEZ-SNVBAGLBSA-N -1 3 447.738 3.417 40 0 IGABHM COc1ccc([C@H]2[C@@H]3CCC[C@H]([C@@H](c4ccc(OC)cc4)N2C)C32NC(=O)[N-]C2=O)cc1 ZINC000005618544 556060658 /nfs/dbraw/zinc/06/06/58/556060658.db2.gz VTJKPXDJRWVZTI-BWIXQKSYSA-N -1 3 435.524 3.426 40 0 IGABHM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)ccc1OC ZINC000010008804 556321218 /nfs/dbraw/zinc/32/12/18/556321218.db2.gz UCLPMUKGDNCGLP-UHFFFAOYSA-N -1 3 426.494 3.435 40 0 IGABHM Cc1nc2c(nnn2C[C@H]2CCCN(C(=O)[C@H](C)c3ccc(CC(C)C)cc3)C2)c(=O)[n-]1 ZINC000012084995 556398720 /nfs/dbraw/zinc/39/87/20/556398720.db2.gz WTDXGDHCYUZRAK-APWZRJJASA-N -1 3 436.560 3.476 40 0 IGABHM O=C(CSc1n[n-]c(-c2ccccn2)n1)Nc1ccc(I)cc1 ZINC000071834812 556609179 /nfs/dbraw/zinc/60/91/79/556609179.db2.gz ITOWHFNRIWBQTL-UHFFFAOYSA-N -1 3 437.266 3.202 40 0 IGABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCCc5ccccc54)[n-]c(=O)c32)c(F)c1 ZINC000038828214 556620267 /nfs/dbraw/zinc/62/02/67/556620267.db2.gz DRZSUVFPMFCOHW-HNNXBMFYSA-N -1 3 447.470 3.366 40 0 IGABHM COc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc(C)c(C)c2)CC(=O)N3)cc1 ZINC000040399812 556642276 /nfs/dbraw/zinc/64/22/76/556642276.db2.gz UMCUXSWVJORUBK-KRWDZBQOSA-N -1 3 433.468 3.203 40 0 IGABHM COc1ccccc1Nc1nc2c(c(=O)[n-]1)C(C(=O)Nc1cccc(Cl)c1)CC(=O)N2 ZINC000040400079 556642992 /nfs/dbraw/zinc/64/29/92/556642992.db2.gz CGDDNCAJPFBSIE-CYBMUJFWSA-N -1 3 439.859 3.240 40 0 IGABHM O=C([C@H]1CC=CCC1)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)CN(Cc2cccs2)CC3)C1 ZINC000019343599 556741534 /nfs/dbraw/zinc/74/15/34/556741534.db2.gz DQOYQWZNYMWPOF-ZWKOTPCHSA-N -1 3 438.597 3.452 40 0 IGABHM O=C(CCc1ccccc1)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CCN(C2CCCCC2)C3)C1 ZINC000019370649 556747806 /nfs/dbraw/zinc/74/78/06/556747806.db2.gz AWJYYSSSFYLBKL-HXUWFJFHSA-N -1 3 434.584 3.409 40 0 IGABHM O=C(Cc1ccccc1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1ccncc1)C2 ZINC000019370229 556747877 /nfs/dbraw/zinc/74/78/77/556747877.db2.gz DQFVURBGRKPZNV-HSZRJFAPSA-N -1 3 443.551 3.432 40 0 IGABHM COc1cc(CN2CCc3nc(-c4ccncc4)[n-]c(=O)c3CC2)ccc1OC(F)F ZINC000019550114 556795115 /nfs/dbraw/zinc/79/51/15/556795115.db2.gz KFJYKWLSJXATNR-UHFFFAOYSA-N -1 3 428.439 3.043 40 0 IGABHM Cc1nn(CC(=O)N[C@H](Cc2cc(=O)[n-]c(-c3cccnc3)n2)c2ccccc2)c(C)c1C ZINC000019556590 556799245 /nfs/dbraw/zinc/79/92/45/556799245.db2.gz AJHJYPOXKCLBBT-JOCHJYFZSA-N -1 3 442.523 3.054 40 0 IGABHM Cc1scc(C(=O)N2CC[C@@H](c3nc4c(c(=O)[n-]3)CCN(Cc3cccnc3)C4)C2)c1C ZINC000019561829 556803307 /nfs/dbraw/zinc/80/33/07/556803307.db2.gz VQEPKJGDZXRULO-GOSISDBHSA-N -1 3 449.580 3.444 40 0 IGABHM COc1ccccc1CN1CCc2nc([C@@H]3CCN(C(=O)[C@H]4CC=CCC4)C3)[n-]c(=O)c2C1 ZINC000019570578 556810843 /nfs/dbraw/zinc/81/08/43/556810843.db2.gz YOPAFSIOMFULCR-AZUAARDMSA-N -1 3 448.567 3.421 40 0 IGABHM COc1ccccc1CN1CCc2nc([C@H]3CCN(C(=O)[C@H]4CC=CCC4)C3)[n-]c(=O)c2C1 ZINC000019570581 556810897 /nfs/dbraw/zinc/81/08/97/556810897.db2.gz YOPAFSIOMFULCR-ICSRJNTNSA-N -1 3 448.567 3.421 40 0 IGABHM CCc1nnc2n1C[C@@H](c1ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc1)CC2 ZINC000019699024 556858372 /nfs/dbraw/zinc/85/83/72/556858372.db2.gz QXOBHZYMSJCUIG-INIZCTEOSA-N -1 3 440.525 3.143 40 0 IGABHM O=C(Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O)N1CCN(c2ccccc2F)CC1 ZINC000019937676 556951433 /nfs/dbraw/zinc/95/14/33/556951433.db2.gz MUYXZGZHDKCLPG-UHFFFAOYSA-N -1 3 426.879 3.121 40 0 IGABHM CCn1nccc1C(=O)N1CCc2nc([C@H]3CCCN3C[C@@H]3CC=CCC3)[n-]c(=O)c2C1 ZINC000257295010 556999942 /nfs/dbraw/zinc/99/99/42/556999942.db2.gz QWPHMSAXUAZNNC-YLJYHZDGSA-N -1 3 436.560 3.090 40 0 IGABHM COC(=O)c1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)cc2)cc1 ZINC000097951959 557178284 /nfs/dbraw/zinc/17/82/84/557178284.db2.gz HGEYGPHKXWJQND-FSSWDIPSSA-N -1 3 444.443 3.230 40 0 IGABHM O=C([O-])COc1ccccc1CN1C[C@@H](c2ccccc2F)[C@]2(C1)CCCCC(=O)N2 ZINC000585262349 557201982 /nfs/dbraw/zinc/20/19/82/557201982.db2.gz UKLUODIQMQTDIE-YADARESESA-N -1 3 426.488 3.318 40 0 IGABHM COc1ccc(Cl)cc1C(=O)N1CC[C@H](c2nc(-c3ccc[nH]c3=O)cc(=O)[n-]2)C1 ZINC000100745481 557275746 /nfs/dbraw/zinc/27/57/46/557275746.db2.gz PXNARNTVMKHMHN-LBPRGKRZSA-N -1 3 426.860 3.242 40 0 IGABHM CCCCCC(=O)N1CCC[C@H](c2nc3c(nnn3Cc3ccc(F)cc3)c(=O)[n-]2)C1 ZINC000013083472 557276579 /nfs/dbraw/zinc/27/65/79/557276579.db2.gz WBJYIEJIOVWSHW-INIZCTEOSA-N -1 3 426.496 3.401 40 0 IGABHM CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(C(=O)[O-])c1 ZINC000223280324 557455221 /nfs/dbraw/zinc/45/52/21/557455221.db2.gz WNSNJBKHGHYYKP-LEWJYISDSA-N -1 3 435.553 3.105 40 0 IGABHM CSc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1C(=O)N1CCOCC1 ZINC000026116999 557463021 /nfs/dbraw/zinc/46/30/21/557463021.db2.gz BTJFAQYCPMINAK-UHFFFAOYSA-N -1 3 426.947 3.335 40 0 IGABHM COc1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc4ccccc4c3)n2)c(OC)c1 ZINC000223771263 557511242 /nfs/dbraw/zinc/51/12/42/557511242.db2.gz KCCCHYRODOJJSA-UHFFFAOYSA-N -1 3 425.466 3.386 40 0 IGABHM COc1ccc([C@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)cc1 ZINC000224337250 557593480 /nfs/dbraw/zinc/59/34/80/557593480.db2.gz RCGGEDZURWANRF-ZDUSSCGKSA-N -1 3 432.527 3.147 40 0 IGABHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccco2)ccc1[N-]S(C)(=O)=O ZINC000225414704 557720252 /nfs/dbraw/zinc/72/02/52/557720252.db2.gz WOXBKOAOPOJOCY-OALUTQOASA-N -1 3 444.538 3.232 40 0 IGABHM CC1(C)[C@@H]2C[C@H]1[C@@]1(O)[C@@H](C2)Oc2ccc(C(=O)NCCc3ccccc3F)c([O-])c2[C@@H]1O ZINC000257289940 568706830 /nfs/dbraw/zinc/70/68/30/568706830.db2.gz QAWAFQUQCXKXQB-YFQPGXIDSA-N -1 3 441.499 3.095 40 0 IGABHM COc1ccc(CN2CCc3c(=O)[n-]c([C@H]4CCN(C(=O)[C@@H]5CC=CCC5)C4)nc3C2)cc1 ZINC000247908513 569206408 /nfs/dbraw/zinc/20/64/08/569206408.db2.gz TXCSJADYHKULRI-UXHICEINSA-N -1 3 448.567 3.421 40 0 IGABHM O=C(C[C@H]1CCCCO1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCC1)C2 ZINC000019014642 569226135 /nfs/dbraw/zinc/22/61/35/569226135.db2.gz BDBTVIJBCFUENB-WIYYLYMNSA-N -1 3 428.577 3.496 40 0 IGABHM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1C ZINC000033586134 569244680 /nfs/dbraw/zinc/24/46/80/569244680.db2.gz SDOIJHBSQPRAQD-UHFFFAOYSA-N -1 3 432.267 3.249 40 0 IGABHM O=C([O-])C[C@@H]1CCN(C(=O)C2CCC2)C[C@@H]1CCN1CCN(c2ccc(F)cc2)CC1 ZINC000020463288 527628834 /nfs/dbraw/zinc/62/88/34/527628834.db2.gz KEDPICAIVBASCL-PMACEKPBSA-N -1 3 431.552 3.077 40 0 biogenic,in-vitro IGABHM Cc1ccc([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)N3CCOCC3)cc2)cc1Cl ZINC000408593317 555954320 /nfs/dbraw/zinc/95/43/20/555954320.db2.gz MJDLWJRSFPEIMI-OAHLLOKOSA-N -1 3 438.933 3.075 40 0 IGABHM CCOc1ccc(NC(=O)C2CC(=O)Nc3nc(N4[C@H](C)CCC[C@@H]4C)[n-]c(=O)c32)cc1 ZINC000038828443 556620352 /nfs/dbraw/zinc/62/03/52/556620352.db2.gz LAKMPXNONCXLGI-VBQJREDUSA-N -1 3 439.516 3.000 40 0 IGABHM COc1ccccc1Nc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(C)c(C)c1)CC(=O)N2 ZINC000040400003 556642634 /nfs/dbraw/zinc/64/26/34/556642634.db2.gz UBXFDZNIQOWSMJ-HNNXBMFYSA-N -1 3 433.468 3.203 40 0 IGABHM COc1ccccc1Nc1nc2c(c(=O)[n-]1)C(C(=O)Nc1cc(C)cc(C)c1)CC(=O)N2 ZINC000040400007 556642645 /nfs/dbraw/zinc/64/26/45/556642645.db2.gz GVEJZWYDFVINPY-HNNXBMFYSA-N -1 3 433.468 3.203 40 0 IGABHM COc1ccccc1Nc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccccc1Cl)CC(=O)N2 ZINC000040400081 556643048 /nfs/dbraw/zinc/64/30/48/556643048.db2.gz HXQSVMYRTPMYLI-NSHDSACASA-N -1 3 439.859 3.240 40 0 IGABHM COc1ccccc1Nc1nc2c(c(=O)[n-]1)C(C(=O)Nc1cccc(Cl)c1)CC(=O)N2 ZINC000040400077 556643070 /nfs/dbraw/zinc/64/30/70/556643070.db2.gz CGDDNCAJPFBSIE-ZDUSSCGKSA-N -1 3 439.859 3.240 40 0 IGABHM CCOc1ccccc1NC(=O)C1CC(=O)Nc2nc(Nc3ccc(C)cc3)[n-]c(=O)c21 ZINC000040400401 556643384 /nfs/dbraw/zinc/64/33/84/556643384.db2.gz ZJOMTUYLUGHYAE-HNNXBMFYSA-N -1 3 433.468 3.285 40 0 IGABHM CCOc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccc(C)cc4)[n-]c(=O)c32)cc1 ZINC000040400395 556643413 /nfs/dbraw/zinc/64/34/13/556643413.db2.gz VFWIRVNXOVCDRU-QGZVFWFLSA-N -1 3 433.468 3.285 40 0 IGABHM O=C(Cc1ccccc1)N1CCCC[C@@H]1c1cc2nc3c(c(=O)n2[n-]1)CN(CC1CC1)CC3 ZINC000019370206 556747386 /nfs/dbraw/zinc/74/73/86/556747386.db2.gz BKYIJKYGFVRANQ-HSZRJFAPSA-N -1 3 445.567 3.499 40 0 IGABHM CCOc1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)cc1OC ZINC000000951764 556748412 /nfs/dbraw/zinc/74/84/12/556748412.db2.gz QHSNTKCALOCZCF-QKLQHJQFSA-N -1 3 438.402 3.198 40 0 IGABHM O=C(Cc1ccsc1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1ccncc1)C2 ZINC000019405376 556755052 /nfs/dbraw/zinc/75/50/52/556755052.db2.gz ZBJIDUCMINVMNG-NRFANRHFSA-N -1 3 449.580 3.081 40 0 IGABHM CC(C)N1CCc2nc3cc([C@H]4CCCCN4C(=O)Cc4ccccc4)[n-]n3c(=O)c2C1 ZINC000019448055 556756979 /nfs/dbraw/zinc/75/69/79/556756979.db2.gz VLLDXAOYXZTJGR-JOCHJYFZSA-N -1 3 433.556 3.498 40 0 IGABHM CC(C)N1CCc2nc3cc(C4CCN(C(=O)c5ccccc5F)CC4)[n-]n3c(=O)c2C1 ZINC000019448151 556757389 /nfs/dbraw/zinc/75/73/89/556757389.db2.gz YOTNXAUMZCGDLP-UHFFFAOYSA-N -1 3 437.519 3.360 40 0 IGABHM CCC(=O)N1CCc2c(=O)[n-]c([C@H]3CCCCN3C(=O)c3cc4cc(C)ccc4o3)nc2C1 ZINC000019499126 556770839 /nfs/dbraw/zinc/77/08/39/556770839.db2.gz YXRSOWVPFOBWLU-LJQANCHMSA-N -1 3 448.523 3.487 40 0 IGABHM Cc1ccc(Cn2nnc3c2nc([C@H]2CCCN(C(=O)C4CCCCC4)C2)[n-]c3=O)cc1 ZINC000001334315 556775849 /nfs/dbraw/zinc/77/58/49/556775849.db2.gz KFYWUBAYOXRUCD-IBGZPJMESA-N -1 3 434.544 3.158 40 0 IGABHM CCc1[nH]nc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)CCN(C2CCCC2)C3)c1C ZINC000019520950 556777691 /nfs/dbraw/zinc/77/76/91/556777691.db2.gz JLAILPBPYVVNRG-FQEVSTJZSA-N -1 3 438.576 3.444 40 0 IGABHM Cc1ccc(C)c(Cn2nnc3c2nc(C2CCN(C(=O)C4CCCCC4)CC2)[n-]c3=O)c1 ZINC000001352213 556780625 /nfs/dbraw/zinc/78/06/25/556780625.db2.gz CGWPTVUEBCKZLV-UHFFFAOYSA-N -1 3 448.571 3.466 40 0 IGABHM CCCn1cc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)CCN(C2CCCC2)C3)cn1 ZINC000019526086 556783753 /nfs/dbraw/zinc/78/37/53/556783753.db2.gz ZQJHMCNQWVEMTO-OAQYLSRUSA-N -1 3 438.576 3.457 40 0 IGABHM COc1ccc(CC(=O)N2CC[C@H](c3nc(-c4ccsc4)cc(=O)[n-]3)C2)cc1OC ZINC000019560347 556801830 /nfs/dbraw/zinc/80/18/30/556801830.db2.gz WBELASAPYGPOMB-HNNXBMFYSA-N -1 3 425.510 3.074 40 0 IGABHM COc1cc(C)c(C)cc1S(=O)(=O)N[C@H](Cc1cc(=O)[n-]c(C)n1)c1ccc(F)cc1 ZINC000019566983 556807288 /nfs/dbraw/zinc/80/72/88/556807288.db2.gz RRFUIJXLDUDHSH-LJQANCHMSA-N -1 3 445.516 3.105 40 0 IGABHM Cc1ccc(C(=O)N2CCC[C@H](c3nc4c(nnn4Cc4ccccc4)c(=O)[n-]3)C2)cc1 ZINC000006529899 556838469 /nfs/dbraw/zinc/83/84/69/556838469.db2.gz IUCJCIJYXMRQKV-IBGZPJMESA-N -1 3 428.496 3.303 40 0 IGABHM CCS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1 ZINC000020062747 556976802 /nfs/dbraw/zinc/97/68/02/556976802.db2.gz GWBZZVSMFLXANR-UHFFFAOYSA-N -1 3 438.509 3.026 40 0 IGABHM COc1ccc(CCNC(=O)[C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000409393121 557097231 /nfs/dbraw/zinc/09/72/31/557097231.db2.gz VMKJZXOVHPDXJL-GFCCVEGCSA-N -1 3 431.341 3.028 40 0 IGABHM Cn1c2ccc(C(=O)CCl)cc2c2c1[C@@H](c1ccc3c(c1)OCO3)N[C@@H](C(=O)[O-])C2 ZINC000115266982 557119858 /nfs/dbraw/zinc/11/98/58/557119858.db2.gz CDPZVGPKBLCWEV-FOIQADDNSA-N -1 3 426.856 3.017 40 0 IGABHM CC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c(O)n(-c3ccc(Br)cc3)c(=O)c1-2 ZINC000103769321 557139967 /nfs/dbraw/zinc/13/99/67/557139967.db2.gz BWLUUODADOFQTF-NVXWUHKLSA-N -1 3 446.688 3.426 40 0 IGABHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)cc2)cc1Br ZINC000098071760 557232987 /nfs/dbraw/zinc/23/29/87/557232987.db2.gz VVRNLXBMRNFAAL-UHFFFAOYSA-N -1 3 440.363 3.010 40 0 IGABHM CO[C@H]1CC[C@H](C(=O)N2CC[C@H](c3nc4c(c(=O)[n-]3)CCN(C3CCCCC3)C4)C2)CC1 ZINC000100238856 557254256 /nfs/dbraw/zinc/25/42/56/557254256.db2.gz RALVANCGTIJBAH-CMKODMSKSA-N -1 3 442.604 3.394 40 0 IGABHM Cc1ccccc1C(=O)N1CCC[C@H](c2nc3c(nnn3Cc3ccc(F)cc3)c(=O)[n-]2)C1 ZINC000013083489 557276816 /nfs/dbraw/zinc/27/68/16/557276816.db2.gz FNYUVESOKJTFAJ-KRWDZBQOSA-N -1 3 446.486 3.443 40 0 IGABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl)NCc1cccnc1 ZINC000013566402 557344568 /nfs/dbraw/zinc/34/45/68/557344568.db2.gz DLFRHKHZYUEFMF-UHFFFAOYSA-N -1 3 449.891 3.370 40 0 IGABHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-n1cnnc1 ZINC000224595460 557628776 /nfs/dbraw/zinc/62/87/76/557628776.db2.gz YYAOYFKIVAJILK-SFTDATJTSA-N -1 3 431.525 3.286 40 0 IGABHM COc1ccc(OC[C@@H](C)[N-]S(=O)(=O)c2cc(Br)ccc2OC)cc1 ZINC000224857555 557659116 /nfs/dbraw/zinc/65/91/16/557659116.db2.gz BQGNOYNOBLVKBS-GFCCVEGCSA-N -1 3 430.320 3.212 40 0 IGABHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)cc1N1C(=O)CCC1=O ZINC000224895675 557664179 /nfs/dbraw/zinc/66/41/79/557664179.db2.gz FVXAZQKFWWDXAM-UHFFFAOYSA-N -1 3 444.387 3.048 40 0 IGABHM COc1ccc2c(c1)CCC[C@@H]2[N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 ZINC000225167192 557695209 /nfs/dbraw/zinc/69/52/09/557695209.db2.gz NFVNLRRWJGABJY-KRWDZBQOSA-N -1 3 444.538 3.155 40 0 IGABHM CNC(=O)c1cnc([N-]c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)nc(C)n2)s1 ZINC000257257826 568692224 /nfs/dbraw/zinc/69/22/24/568692224.db2.gz KRFVNACPQFTYIW-UHFFFAOYSA-N -1 3 432.550 3.459 40 0 IGABHM O=C([C@@H]1CC=CCC1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1ccccc1F)C2 ZINC000019349394 569226436 /nfs/dbraw/zinc/22/64/36/569226436.db2.gz XEKNCUAECOATKY-VGOFRKELSA-N -1 3 436.531 3.487 40 0 IGABHM CCOC(=O)c1ccc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000035128568 569248267 /nfs/dbraw/zinc/24/82/67/569248267.db2.gz IMWCYRILGYINQI-NSHDSACASA-N -1 3 445.324 3.476 40 0 IGABHM COc1cc(-c2nnc3n2c2ccccc2c(=O)n3Cc2ccccc2)cc(OC)c1[O-] ZINC000009252080 569294714 /nfs/dbraw/zinc/29/47/14/569294714.db2.gz ZOSGKRGWBURQHX-UHFFFAOYSA-N -1 3 428.448 3.482 40 0 IGABHM O=C(COc1ccccc1)[N-]C(=S)Nc1nc2ccc(N3CCOCC3)cc2s1 ZINC000032126596 569583505 /nfs/dbraw/zinc/58/35/05/569583505.db2.gz HDSQNXPHYJQNHT-UHFFFAOYSA-N -1 3 428.539 3.025 40 0 IGABHM COc1cc(C)ccc1OCC(=O)N1CCC(c2nc(-c3ccccn3)cc(=O)[n-]2)CC1 ZINC000012256466 522276979 /nfs/dbraw/zinc/27/69/79/522276979.db2.gz AXHRMXLTUGTSKP-UHFFFAOYSA-N -1 3 434.496 3.346 40 0 IGABHM O=C([O-])C[C@@H]1CCN(C(=O)C2CCCC2)C[C@@H]1CCN1CCN(c2ccc(F)cc2)CC1 ZINC000020463292 527628532 /nfs/dbraw/zinc/62/85/32/527628532.db2.gz GJLXQBWDYUOMQM-SFTDATJTSA-N -1 3 445.579 3.467 40 0 biogenic,in-vitro IGABHM CCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000408555930 555893037 /nfs/dbraw/zinc/89/30/37/555893037.db2.gz XTCJIOZCQHPYDG-UHFFFAOYSA-N -1 3 427.320 3.155 40 0 IGABHM COC[C@H](C)NC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408602105 555970945 /nfs/dbraw/zinc/97/09/45/555970945.db2.gz HSUHYMQRNRWQIO-GUYCJALGSA-N -1 3 445.368 3.034 40 0 IGABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC(C)C)c(Cl)c2)cc1 ZINC000408618978 555982451 /nfs/dbraw/zinc/98/24/51/555982451.db2.gz HHRFDQXZOMLJRO-UHFFFAOYSA-N -1 3 426.922 3.443 40 0 IGABHM CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Br)cc2F)ccc1OC ZINC000013676866 556554797 /nfs/dbraw/zinc/55/47/97/556554797.db2.gz YWRBNVDOMYLSIK-UHFFFAOYSA-N -1 3 431.283 3.147 40 0 IGABHM CCOc1ccccc1NC(=O)C1CC(=O)Nc2nc(N3CCCC[C@@H]3CC)[n-]c(=O)c21 ZINC000040390558 556637387 /nfs/dbraw/zinc/63/73/87/556637387.db2.gz VXCIMTMSBSQYJU-GJZGRUSLSA-N -1 3 439.516 3.002 40 0 IGABHM CCOc1ccccc1NC(=O)C1CC(=O)Nc2nc(Nc3ccc(F)cc3)[n-]c(=O)c21 ZINC000040399645 556642056 /nfs/dbraw/zinc/64/20/56/556642056.db2.gz PDWAATPYKLLVLD-AWEZNQCLSA-N -1 3 437.431 3.116 40 0 IGABHM COc1ccc(C)c(NC(=O)C2CC(=O)Nc3nc(Nc4ccc(C)cc4)[n-]c(=O)c32)c1 ZINC000040400519 556643284 /nfs/dbraw/zinc/64/32/84/556643284.db2.gz XMHRGIQBPLMNFU-INIZCTEOSA-N -1 3 433.468 3.203 40 0 IGABHM COc1ccc(C)cc1NC(=O)C1CC(=O)Nc2nc(Nc3ccc(C)cc3)[n-]c(=O)c21 ZINC000040400499 556643346 /nfs/dbraw/zinc/64/33/46/556643346.db2.gz MCWHRLVVOXJQJM-HNNXBMFYSA-N -1 3 433.468 3.203 40 0 IGABHM CSCC[C@@H](NC(=O)c1cc(C(C)(C)C)n[nH]1)c1cc(=O)[n-]c(-c2cccnc2)n1 ZINC000019083706 556698170 /nfs/dbraw/zinc/69/81/70/556698170.db2.gz RCAYPTDRHIJFQY-CQSZACIVSA-N -1 3 426.546 3.489 40 0 IGABHM Cc1ccc(C(=O)N2CCc3nc([C@@H]4CCCN(C(=O)C(C)(C)C)C4)[n-]c(=O)c3C2)cc1 ZINC000019135480 556706109 /nfs/dbraw/zinc/70/61/09/556706109.db2.gz RPMLCWVITUMDEB-GOSISDBHSA-N -1 3 436.556 3.441 40 0 IGABHM Cc1ccc(CN2CCC[C@@H]2c2nc3c(c(=O)[n-]2)CCN(C(=O)c2ccncc2)C3)s1 ZINC000019217213 556712470 /nfs/dbraw/zinc/71/24/70/556712470.db2.gz FGSBUTJQJZJBJP-HXUWFJFHSA-N -1 3 435.553 3.070 40 0 IGABHM Cc1cccc(CC(=O)N2CCC(c3cc4nc5c(c(=O)n4[n-]3)CN(C(C)C)CC5)CC2)c1 ZINC000019234646 556718806 /nfs/dbraw/zinc/71/88/06/556718806.db2.gz CWXOMOXNFHCPQT-UHFFFAOYSA-N -1 3 447.583 3.459 40 0 IGABHM Cc1cccnc1CN1CCC[C@@H](c2nc3c(c(=O)[n-]2)CN(C(=O)c2cccs2)CC3)C1 ZINC000019237795 556722730 /nfs/dbraw/zinc/72/27/30/556722730.db2.gz PXQMFZACBFQDAA-QGZVFWFLSA-N -1 3 449.580 3.113 40 0 IGABHM Cc1nc(C[C@@H](NC(=O)c2ccc(C(C)C)[nH]c2=O)c2ccc(Cl)cc2)cc(=O)[n-]1 ZINC000019285321 556727099 /nfs/dbraw/zinc/72/70/99/556727099.db2.gz PEIIRKANFJCKHG-LJQANCHMSA-N -1 3 426.904 3.257 40 0 IGABHM O=C(c1cccs1)N1CCc2c(=O)[n-]c([C@H]3CCCCN3C(=O)c3ccccc3)nc2C1 ZINC000019368802 556746604 /nfs/dbraw/zinc/74/66/04/556746604.db2.gz PBHCKWDXNRZIHB-LJQANCHMSA-N -1 3 448.548 3.397 40 0 IGABHM O=C(Nc1ccc([C@H]2NC(=Cc3ccc(Br)cc3)C(=O)O2)cc1)c1nc[n-]n1 ZINC000019419210 556755451 /nfs/dbraw/zinc/75/54/51/556755451.db2.gz MGNXNFNRTMKPHR-YHTSIIMFSA-N -1 3 440.257 3.006 40 0 IGABHM CCC(=O)N1CCc2c(=O)[n-]c([C@H]3CCCCN3C(=O)c3cc4c(cccc4C)[nH]3)nc2C1 ZINC000019499124 556770970 /nfs/dbraw/zinc/77/09/70/556770970.db2.gz 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448.567 3.421 40 0 IGABHM Cc1nn([C@H](C)CC(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[n-]3)CC2)c(C)c1C ZINC000019556105 556799084 /nfs/dbraw/zinc/79/90/84/556799084.db2.gz VCQWJATXBRAXRB-CYBMUJFWSA-N -1 3 440.573 3.372 40 0 IGABHM COc1cccc(OC)c1C(=O)N1CCC(Nc2nc(-c3ccsc3)cc(=O)[n-]2)CC1 ZINC000019566864 556807304 /nfs/dbraw/zinc/80/73/04/556807304.db2.gz BBQUZOANNFUTOX-UHFFFAOYSA-N -1 3 440.525 3.232 40 0 IGABHM Cc1cc(CN2CCC[C@H]2c2nc3c(c(=O)[n-]2)CCN(C(=O)c2ccncc2)C3)c(C)s1 ZINC000019567963 556808056 /nfs/dbraw/zinc/80/80/56/556808056.db2.gz DKFFMVXVXMVILH-NRFANRHFSA-N -1 3 449.580 3.379 40 0 IGABHM Cc1cc(C)n(CCCC(=O)N2CCC(c3nc(-c4ccsc4)cc(=O)[n-]3)CC2)n1 ZINC000019574014 556814291 /nfs/dbraw/zinc/81/42/91/556814291.db2.gz RAEMPMLMEIURCP-UHFFFAOYSA-N -1 3 425.558 3.498 40 0 IGABHM COc1ncccc1-c1cc(=O)[n-]c([C@H]2CCN(C(=O)c3ccc(F)c(Cl)c3)C2)n1 ZINC000019594685 556830251 /nfs/dbraw/zinc/83/02/51/556830251.db2.gz FTOMHWWMUJWXTF-ZDUSSCGKSA-N -1 3 428.851 3.263 40 0 IGABHM C[C@H]1CN(c2nc3c(c(=O)[n-]2)CCN(Cc2cc(Br)cs2)C3)C[C@H](C)O1 ZINC000072335487 556908213 /nfs/dbraw/zinc/90/82/13/556908213.db2.gz NGWMRTYAFJMYEY-RYUDHWBXSA-N -1 3 439.379 3.178 40 0 IGABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)NCCC(C)C ZINC000020009877 556959826 /nfs/dbraw/zinc/95/98/26/556959826.db2.gz SGGCKJZBRSCCAR-SFHVURJKSA-N -1 3 438.977 3.401 40 0 IGABHM COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCC3)c2)cc1OC ZINC000113939699 557310816 /nfs/dbraw/zinc/31/08/16/557310816.db2.gz FLMKZEHPIPHAMT-UHFFFAOYSA-N -1 3 434.514 3.139 40 0 IGABHM COc1ccc(S(=O)(=O)[N-]Cc2ccccc2CN2CCOCC2)c(Cl)c1Cl ZINC000223695719 557503319 /nfs/dbraw/zinc/50/33/19/557503319.db2.gz JVSZFHTVOOEUIP-UHFFFAOYSA-N -1 3 445.368 3.313 40 0 IGABHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)c(C)c2)cc1C(=O)NC(C)C ZINC000223786685 557513191 /nfs/dbraw/zinc/51/31/91/557513191.db2.gz WKDFLMNPTOMAHQ-UHFFFAOYSA-N -1 3 445.541 3.069 40 0 IGABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)[C@H]1COc2ccccc2O1 ZINC000224542531 557619169 /nfs/dbraw/zinc/61/91/69/557619169.db2.gz LEOUDMJMBJVVGC-HXUWFJFHSA-N -1 3 428.441 3.405 40 0 IGABHM Cc1nc2cc([C@H]3CCN(Cc4cccc(F)c4)C3)[n-]n2c(=O)c1CCC(=O)NC1CC1 ZINC000257282509 568703302 /nfs/dbraw/zinc/70/33/02/568703302.db2.gz OTZUKKQFOTYRDW-KRWDZBQOSA-N -1 3 437.519 3.083 40 0 IGABHM O=C(C[C@@H]1C=CCC1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1ccccc1F)C2 ZINC000019349410 569226595 /nfs/dbraw/zinc/22/65/95/569226595.db2.gz XPXDUMFHFALQQF-VGOFRKELSA-N -1 3 436.531 3.487 40 0 IGABHM CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(C(=O)[O-])cc1 ZINC000223280628 193961739 /nfs/dbraw/zinc/96/17/39/193961739.db2.gz NOEQOYHOVIFQOW-NHCUHLMSSA-N -1 3 435.553 3.105 40 0 IGABHM COc1ccc(CC(=O)N2CCC[C@H](c3nc(-c4ccncc4)cc(=O)[n-]3)C2)cc1OC ZINC000012256850 523893857 /nfs/dbraw/zinc/89/38/57/523893857.db2.gz QACLLHMGAWTKBI-SFHVURJKSA-N -1 3 434.496 3.210 40 0 IGABHM CS(=O)(=O)[N-]c1ccc(Cl)c(C(=O)Nc2ccccc2C(=O)NCc2ccco2)c1 ZINC000020485859 525218416 /nfs/dbraw/zinc/21/84/16/525218416.db2.gz PUTQPAQPQQIZHV-UHFFFAOYSA-N -1 3 447.900 3.487 40 0 IGABHM NC(=O)c1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000022526221 527091348 /nfs/dbraw/zinc/09/13/48/527091348.db2.gz YRCIHKCVGJXJIH-UHFFFAOYSA-N -1 3 429.885 3.492 40 0 IGABHM O=S(=O)(Cc1ccccc1Cl)[N-]c1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000020459528 527197417 /nfs/dbraw/zinc/19/74/17/527197417.db2.gz SLYZNXCHARHPRN-UHFFFAOYSA-N -1 3 437.930 3.478 40 0 IGABHM Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccc([N-]S(C)(=O)=O)cc3)o2)c1 ZINC000001329733 555690369 /nfs/dbraw/zinc/69/03/69/555690369.db2.gz OKDUVYZFSDDZQH-UHFFFAOYSA-N -1 3 432.527 3.456 40 0 IGABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C(=O)Nc1ccccc1Br ZINC000408609981 555980047 /nfs/dbraw/zinc/98/00/47/555980047.db2.gz SQZFDZLSRGDFES-SNVBAGLBSA-N -1 3 447.738 3.417 40 0 IGABHM COc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2cc(C)cc(C)c2)CC(=O)N3)cc1 ZINC000040399816 556642305 /nfs/dbraw/zinc/64/23/05/556642305.db2.gz VBJFAWLJCGZDJI-KRWDZBQOSA-N -1 3 433.468 3.203 40 0 IGABHM COc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2cc(C)ccc2C)CC(=O)N3)cc1 ZINC000040399951 556642692 /nfs/dbraw/zinc/64/26/92/556642692.db2.gz CXLXHRFOBIBBQX-INIZCTEOSA-N -1 3 433.468 3.203 40 0 IGABHM C/C(=C\c1ccccc1)CN1CC[C@@H](c2nc3c(c(=O)[n-]2)CCN(C(=O)C2CCC2)C3)C1 ZINC000019014346 556691447 /nfs/dbraw/zinc/69/14/47/556691447.db2.gz UARGIEJCSISEQX-IYYMRFBLSA-N -1 3 432.568 3.348 40 0 IGABHM COc1ccccc1O[C@@H](C)C(=O)N1CCC(c2nc(-c3nccs3)cc(=O)[n-]2)CC1 ZINC000019078074 556695140 /nfs/dbraw/zinc/69/51/40/556695140.db2.gz DSWOPOKEMDUJAT-AWEZNQCLSA-N -1 3 440.525 3.488 40 0 IGABHM CC(C)(C)C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)c1ccc(F)cc1)CC2 ZINC000019081364 556696119 /nfs/dbraw/zinc/69/61/19/556696119.db2.gz RVSYATBYLQYIJS-GOSISDBHSA-N -1 3 426.492 3.229 40 0 IGABHM COc1cccc(OC)c1C(=O)N[C@@H](Cc1cc(=O)[n-]c(C)n1)c1ccc(Cl)cc1 ZINC000019285311 556727212 /nfs/dbraw/zinc/72/72/12/556727212.db2.gz WOINCJCSMMDUMG-KRWDZBQOSA-N -1 3 427.888 3.463 40 0 IGABHM O=C(c1ccncc1)N1CCc2c(=O)[n-]c([C@H]3CCCCN3Cc3cccs3)nc2C1 ZINC000019343494 556741440 /nfs/dbraw/zinc/74/14/40/556741440.db2.gz QTFGTHSQAJPNAX-HXUWFJFHSA-N -1 3 435.553 3.152 40 0 IGABHM O=C(c1cccs1)N1CCc2nc([C@H]3CCCN(Cc4cccs4)C3)[n-]c(=O)c2C1 ZINC000019343451 556741588 /nfs/dbraw/zinc/74/15/88/556741588.db2.gz BYBAZTMNGCTDQH-HNNXBMFYSA-N -1 3 440.594 3.471 40 0 IGABHM O=C(C[C@H]1C=CCC1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1ccccc1F)C2 ZINC000019349404 556744300 /nfs/dbraw/zinc/74/43/00/556744300.db2.gz XPXDUMFHFALQQF-JTSKRJEESA-N -1 3 436.531 3.487 40 0 IGABHM CC(C)n1cc(C(=O)N[C@H](Cc2cc(=O)[n-]c(-c3ccncc3)n2)c2ccc(F)cc2)cn1 ZINC000019454966 556765162 /nfs/dbraw/zinc/76/51/62/556765162.db2.gz BQMKOAJPXXLCBB-OAQYLSRUSA-N -1 3 446.486 3.462 40 0 IGABHM CC(C)C(=O)N1CCC(c2nc3c(nnn3Cc3ccc(Cl)cc3Cl)c(=O)[n-]2)CC1 ZINC000001325055 556771026 /nfs/dbraw/zinc/77/10/26/556771026.db2.gz MELKBBWDRGCMNA-UHFFFAOYSA-N -1 3 449.342 3.232 40 0 IGABHM O=C(c1ccccc1)N1CCC[C@@H](c2nc3c(nnn3Cc3cccc(Cl)c3)c(=O)[n-]2)C1 ZINC000001333902 556775507 /nfs/dbraw/zinc/77/55/07/556775507.db2.gz ZTIRECMXRKSXKI-QGZVFWFLSA-N -1 3 448.914 3.236 40 0 IGABHM CCOc1cc(CCC(=O)N2CCC[C@H](c3nc(-c4cccs4)cc(=O)[n-]3)C2)on1 ZINC000019532344 556792685 /nfs/dbraw/zinc/79/26/85/556792685.db2.gz DXFXACYEEHKUEN-AWEZNQCLSA-N -1 3 428.514 3.224 40 0 IGABHM CCOc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCCC[C@H]4CC)[n-]c(=O)c32)cc1 ZINC000040390481 556814632 /nfs/dbraw/zinc/81/46/32/556814632.db2.gz FTSNUEOYIMHWMJ-WBVHZDCISA-N -1 3 439.516 3.002 40 0 IGABHM Cc1nc([C@H]2CCCN2C(=O)Cc2ccc3c(c2)OCO3)[n-]c(=O)c1Cc1ccccc1 ZINC000019579306 556816890 /nfs/dbraw/zinc/81/68/90/556816890.db2.gz OXVWJCKRNJKVSI-HXUWFJFHSA-N -1 3 431.492 3.304 40 0 IGABHM CC(C)(C)CC(=O)N1CCC[C@@H](c2nc3c(nnn3Cc3ccc(F)cc3)c(=O)[n-]2)C1 ZINC000004861958 556824845 /nfs/dbraw/zinc/82/48/45/556824845.db2.gz GETYKBSZVBASJL-OAHLLOKOSA-N -1 3 426.496 3.257 40 0 IGABHM C[C@@H]1CN(c2nc3c(c(=O)[n-]2)CCN(Cc2ccc(Br)s2)C3)C[C@@H](C)O1 ZINC000072335483 556908260 /nfs/dbraw/zinc/90/82/60/556908260.db2.gz XQKFSOZTSPNTSK-VXGBXAGGSA-N -1 3 439.379 3.178 40 0 IGABHM CN1CCc2nc([C@@H]3CCCN(C(=O)[C@@H](c4ccccc4)C4CCCC4)C3)[n-]c(=O)c2C1 ZINC000072398720 556970747 /nfs/dbraw/zinc/97/07/47/556970747.db2.gz ALSBKKQFVFBFLU-OFNKIYASSA-N -1 3 434.584 3.438 40 0 IGABHM COC(=O)c1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)cc2)cc1 ZINC000097951960 557178178 /nfs/dbraw/zinc/17/81/78/557178178.db2.gz HGEYGPHKXWJQND-BDTNDASRSA-N -1 3 444.443 3.230 40 0 IGABHM Cc1ccc(-c2noc(CN(C)C(=O)c3ccc([N-]S(C)(=O)=O)cc3Cl)n2)cc1 ZINC000219287617 557235807 /nfs/dbraw/zinc/23/58/07/557235807.db2.gz SKNRVIJBJOFJHP-UHFFFAOYSA-N -1 3 434.905 3.342 40 0 IGABHM Cc1noc2nc([C@H]3CCCN(C(=O)CCc4c(C)[n-][nH]c4=O)C3)cc(C(F)(F)F)c12 ZINC000100154623 557244058 /nfs/dbraw/zinc/24/40/58/557244058.db2.gz VQKKWTHWYDIZTB-STQMWFEESA-N -1 3 437.422 3.158 40 0 IGABHM COc1ccc(-c2noc(C[N-]S(=O)(=O)Cc3ccc(Br)cc3)n2)cc1 ZINC000223653014 557497492 /nfs/dbraw/zinc/49/74/92/557497492.db2.gz XBPJGBPNLGUCSX-UHFFFAOYSA-N -1 3 438.303 3.127 40 0 IGABHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000223912662 557527844 /nfs/dbraw/zinc/52/78/44/557527844.db2.gz RESZXDYGKVHAIG-UHFFFAOYSA-N -1 3 442.280 3.309 40 0 IGABHM COc1ccccc1[C@@H](C)[N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(C)cc2)s1 ZINC000224229476 557578211 /nfs/dbraw/zinc/57/82/11/557578211.db2.gz ZRNGVKXPRHPHSQ-CYBMUJFWSA-N -1 3 432.527 3.147 40 0 IGABHM CC[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1)c1ccc(OC)c(C)c1 ZINC000224557016 557622953 /nfs/dbraw/zinc/62/29/53/557622953.db2.gz VUQCPKUUKFCNSC-CYBMUJFWSA-N -1 3 426.564 3.269 40 0 IGABHM COc1ccc(NC(=O)C2([N-]S(=O)(=O)Cc3ccc(Cl)cc3F)CC2)c(C)c1 ZINC000225928838 557793689 /nfs/dbraw/zinc/79/36/89/557793689.db2.gz DUAMDOSDWFWDMS-UHFFFAOYSA-N -1 3 426.897 3.387 40 0 IGABHM CS(=O)(=O)c1cn[n-]c1[C@H]1CCCN(Cc2ccccc2OCc2ccccn2)C1 ZINC000257245946 568686443 /nfs/dbraw/zinc/68/64/43/568686443.db2.gz IRUXYXMJAJJMJU-SFHVURJKSA-N -1 3 426.542 3.167 40 0 IGABHM CS(=O)(=O)c1c[n-]nc1[C@H]1CCCN(Cc2ccccc2OCc2ccccn2)C1 ZINC000257245946 568686445 /nfs/dbraw/zinc/68/64/45/568686445.db2.gz IRUXYXMJAJJMJU-SFHVURJKSA-N -1 3 426.542 3.167 40 0 IGABHM CC1(C)[C@@H]2C[C@H]1[C@@]1(O)[C@@H](C2)Oc2c(ccc([O-])c2C(=O)NCCc2ccccc2F)[C@@H]1O ZINC000257285390 568704536 /nfs/dbraw/zinc/70/45/36/568704536.db2.gz PGWLFVNIFSAWEL-YFQPGXIDSA-N -1 3 441.499 3.095 40 0 IGABHM COc1ccccc1CN1CCc2nc([C@@H]3CCN(C(=O)C[C@@H]4C=CCC4)C3)[n-]c(=O)c2C1 ZINC000248126819 569207177 /nfs/dbraw/zinc/20/71/77/569207177.db2.gz HUGXMROWVOQRKB-UYAOXDASSA-N -1 3 448.567 3.421 40 0 IGABHM CCOc1ccc(NC(=O)C2CC(=O)Nc3nc(N4[C@H](C)CCC[C@H]4C)[n-]c(=O)c32)cc1 ZINC000253568292 569208781 /nfs/dbraw/zinc/20/87/81/569208781.db2.gz LAKMPXNONCXLGI-CKEIUWERSA-N -1 3 439.516 3.413 40 0 IGABHM N[C@@H](Cc1ccc(F)cc1)C(=O)NCC1CCC(c2ccnc([N-]c3ncccn3)n2)CC1 ZINC000072380011 569250148 /nfs/dbraw/zinc/25/01/48/569250148.db2.gz UIISZAIDRRIPFH-QLOJAFMTSA-N -1 3 449.534 3.109 40 0 IGABHM COc1cc(-c2nnc3n2c2ccccc2c(=O)n3CCCOC(C)C)cc(OC)c1[O-] ZINC000009252126 569294806 /nfs/dbraw/zinc/29/48/06/569294806.db2.gz AOAWPRZERANJRD-UHFFFAOYSA-N -1 3 438.484 3.249 40 0 IGABHM COc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccccc3C(=O)[O-])[C@@H]2C1=O ZINC000009500159 569296974 /nfs/dbraw/zinc/29/69/74/569296974.db2.gz PFENJNKAHWXPSP-FKBYEOEOSA-N -1 3 444.443 3.445 40 0 IGABHM O=C([O-])C[C@@H]1CCN(C(=O)c2ccco2)C[C@@H]1CCN1CCN(c2ccccc2)CC1 ZINC000012481412 527629802 /nfs/dbraw/zinc/62/98/02/527629802.db2.gz YRBRBTLKLRNAAM-PMACEKPBSA-N -1 3 425.529 3.045 40 0 biogenic,in-vitro IGABHM Cn1c(SCN2C(=O)c3ccccc3C2=O)nnc1-c1cc(Br)ccc1[O-] ZINC000408542989 555790671 /nfs/dbraw/zinc/79/06/71/555790671.db2.gz MQILKXVMHWKKOR-UHFFFAOYSA-N -1 3 445.298 3.296 40 0 IGABHM Cn1c(SCC(=O)NCCc2ccccc2)nnc1-c1cc(Br)ccc1[O-] ZINC000408545550 555796876 /nfs/dbraw/zinc/79/68/76/555796876.db2.gz ZTDRZXYZHSKNFV-UHFFFAOYSA-N -1 3 447.358 3.401 40 0 IGABHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)N3CCOCC3)cc2)cc1 ZINC000408593745 555959800 /nfs/dbraw/zinc/95/98/00/555959800.db2.gz NGVAQDOASSKZNX-SFHVURJKSA-N -1 3 446.569 3.456 40 0 IGABHM COc1ccc([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)NCC(C)C)cc2)cc1OC ZINC000408606337 555967075 /nfs/dbraw/zinc/96/70/75/555967075.db2.gz OXMUBXFLQUYDKP-HNNXBMFYSA-N -1 3 436.530 3.044 40 0 IGABHM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1C(=O)N1CCOCC1 ZINC000408693042 556092700 /nfs/dbraw/zinc/09/27/00/556092700.db2.gz COZAPBSNBYJFOS-UHFFFAOYSA-N -1 3 445.324 3.275 40 0 IGABHM C[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1cccc3ccccc31)CC(=O)N2 ZINC000040389097 556637022 /nfs/dbraw/zinc/63/70/22/556637022.db2.gz APPMMNZDRDGGQB-YOEHRIQHSA-N -1 3 431.496 3.366 40 0 IGABHM CCc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccccc4OC)[n-]c(=O)c32)cc1 ZINC000040400017 556643020 /nfs/dbraw/zinc/64/30/20/556643020.db2.gz MTGFYKQBLAAWOC-OAHLLOKOSA-N -1 3 433.468 3.149 40 0 IGABHM Cc1ccc(C(=O)N2CCC[C@@H]2c2nc3c(c(=O)[n-]2)CCN(C(=O)c2ccncc2)C3)cc1 ZINC000019135271 556705720 /nfs/dbraw/zinc/70/57/20/556705720.db2.gz GKJVTPSMTHKZLH-OAQYLSRUSA-N -1 3 443.507 3.061 40 0 IGABHM CCC(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)[C@@H](C)Cc3cccs3)[n-]c2=O)C1 ZINC000019499091 556770546 /nfs/dbraw/zinc/77/05/46/556770546.db2.gz KBFSQLVAKLAETA-KXBFYZLASA-N -1 3 442.585 3.059 40 0 IGABHM Cc1cc(CN2CCC[C@@H]2c2nc3c(c(=O)[n-]2)CCN(C(=O)c2ccncc2)C3)cs1 ZINC000019572060 556812302 /nfs/dbraw/zinc/81/23/02/556812302.db2.gz YIQHINXWLRECTI-HXUWFJFHSA-N -1 3 435.553 3.070 40 0 IGABHM CCc1nnc2n1C[C@H](c1ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc1)CC2 ZINC000019699023 556858421 /nfs/dbraw/zinc/85/84/21/556858421.db2.gz QXOBHZYMSJCUIG-MRXNPFEDSA-N -1 3 440.525 3.143 40 0 IGABHM O=C(c1cccs1)N1CCc2nc(C3CCN(Cc4ccsc4)CC3)[n-]c(=O)c2C1 ZINC000072398987 556971135 /nfs/dbraw/zinc/97/11/35/556971135.db2.gz OJYKHWKPCXRTFI-UHFFFAOYSA-N -1 3 440.594 3.471 40 0 IGABHM Cc1cccc(CN2C(=O)N/C(=C/c3ccc([O-])c(I)c3)C2=O)c1 ZINC000409245601 557027339 /nfs/dbraw/zinc/02/73/39/557027339.db2.gz WIYKOYIXCZLYEL-OQLLNIDSSA-N -1 3 434.233 3.398 40 0 IGABHM CC(C)C(=O)N1CCc2c(nc3cc([C@@H]4CCCN4Cc4cccs4)[n-]n3c2=O)C1 ZINC000100234363 557252828 /nfs/dbraw/zinc/25/28/28/557252828.db2.gz NMFNPNBMIWOZTM-IBGZPJMESA-N -1 3 425.558 3.374 40 0 IGABHM CC(C)C(=O)N1CCc2c(nc3cc([C@H]4CCCN4Cc4cccs4)[n-]n3c2=O)C1 ZINC000100234364 557252930 /nfs/dbraw/zinc/25/29/30/557252930.db2.gz NMFNPNBMIWOZTM-LJQANCHMSA-N -1 3 425.558 3.374 40 0 IGABHM CO[C@H]1CC[C@H](C(=O)N2CC[C@@H](c3nc4c(c(=O)[n-]3)CCN(C3CCCC3)C4)C2)CC1 ZINC000100238818 557254282 /nfs/dbraw/zinc/25/42/82/557254282.db2.gz RVARIKQFKGPQMK-LMMKCTJWSA-N -1 3 428.577 3.004 40 0 IGABHM O=C(CN1C(=O)S/C(=C\c2cc(Br)ccc2[O-])C1=O)N1CCCCC1 ZINC000015052798 557457595 /nfs/dbraw/zinc/45/75/95/557457595.db2.gz DFDATRHHPPGIMK-ZROIWOOFSA-N -1 3 425.304 3.204 40 0 IGABHM COc1ccc([C@@H](CC(C)C)[N-]S(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cc1 ZINC000223759064 557510230 /nfs/dbraw/zinc/51/02/30/557510230.db2.gz PPMHVDAAQDMPDZ-OAHLLOKOSA-N -1 3 426.564 3.207 40 0 IGABHM COc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(S(C)(=O)=O)cc2)c(Cl)c1Cl ZINC000223844738 557519875 /nfs/dbraw/zinc/51/98/75/557519875.db2.gz ABAJKWGFZKUREL-JTQLQIEISA-N -1 3 438.354 3.445 40 0 IGABHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c1 ZINC000224926507 557667880 /nfs/dbraw/zinc/66/78/80/557667880.db2.gz GLBUOAOQJOJIQL-UHFFFAOYSA-N -1 3 434.901 3.227 40 0 IGABHM COc1ccc2c(c1)CCC[C@H]2[N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 ZINC000225167227 557695248 /nfs/dbraw/zinc/69/52/48/557695248.db2.gz NFVNLRRWJGABJY-QGZVFWFLSA-N -1 3 444.538 3.155 40 0 IGABHM COc1ccc([C@@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)cc1 ZINC000225795914 557778539 /nfs/dbraw/zinc/77/85/39/557778539.db2.gz OJAWQTWXQIJCAT-CYBMUJFWSA-N -1 3 432.527 3.147 40 0 IGABHM COc1ccc([C@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)cc1 ZINC000225795931 557778551 /nfs/dbraw/zinc/77/85/51/557778551.db2.gz OJAWQTWXQIJCAT-ZDUSSCGKSA-N -1 3 432.527 3.147 40 0 IGABHM CC(C)([N-]S(=O)(=O)Cc1ccccc1F)C(=O)Nc1ccc(OC2CSC2)cc1 ZINC000225922877 557792693 /nfs/dbraw/zinc/79/26/93/557792693.db2.gz BYJCVRFIZDQJKJ-UHFFFAOYSA-N -1 3 438.546 3.157 40 0 IGABHM CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1cc(C)nc(=O)[n-]1 ZINC000257294395 568708758 /nfs/dbraw/zinc/70/87/58/568708758.db2.gz QTXWHNPEJHJILA-YLYPHGCXSA-N -1 3 434.540 3.106 40 0 IGABHM COc1ccccc1CNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000033596584 569244826 /nfs/dbraw/zinc/24/48/26/569244826.db2.gz REJRQHBCDWVGGX-UHFFFAOYSA-N -1 3 440.521 3.500 40 0 IGABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)NCCCOC(C)C)cc2)c1 ZINC000034807185 569247694 /nfs/dbraw/zinc/24/76/94/569247694.db2.gz DRXRTBFRUKWYDI-UHFFFAOYSA-N -1 3 434.558 3.414 40 0 IGABHM Cc1cnc([N-]c2cncc(C3CCN(S(=O)(=O)c4ccc(C)c(F)c4)CC3)n2)s1 ZINC000585262729 569584743 /nfs/dbraw/zinc/58/47/43/569584743.db2.gz ZZNYETVHSJVTCC-UHFFFAOYSA-N -1 3 447.561 4.001 40 0 IGABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1ccccc1Br ZINC000408609978 193977272 /nfs/dbraw/zinc/97/72/72/193977272.db2.gz SQZFDZLSRGDFES-JTQLQIEISA-N -1 3 447.738 3.417 40 0 IGABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)N1CCCC1 ZINC000408562322 555905361 /nfs/dbraw/zinc/90/53/61/555905361.db2.gz YWVAMXLZIKLCKN-UHFFFAOYSA-N -1 3 439.331 3.251 40 0 IGABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cc1Cl ZINC000408609566 555979710 /nfs/dbraw/zinc/97/97/10/555979710.db2.gz UBJTZIRDGNRDSP-QGZVFWFLSA-N -1 3 438.933 3.123 40 0 IGABHM COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000408617869 555981500 /nfs/dbraw/zinc/98/15/00/555981500.db2.gz DSVXJDNDDXBIPB-SNVBAGLBSA-N -1 3 433.313 3.316 40 0 IGABHM COc1ccc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2OC)cc1Cl ZINC000408627085 555997779 /nfs/dbraw/zinc/99/77/79/555997779.db2.gz YADHPJBNTMCVCL-JTQLQIEISA-N -1 3 433.313 3.316 40 0 IGABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccccc3)c(C)c2)cc1 ZINC000408677829 556071779 /nfs/dbraw/zinc/07/17/79/556071779.db2.gz RTDYTFJACBGGOF-UHFFFAOYSA-N -1 3 440.521 3.500 40 0 IGABHM COc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000408705564 556111616 /nfs/dbraw/zinc/11/16/16/556111616.db2.gz IQFZJBANYUBGJK-UHFFFAOYSA-N -1 3 445.541 3.327 40 0 IGABHM COc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc(C)c(C)c2)CC(=O)N3)cc1 ZINC000040399810 556642352 /nfs/dbraw/zinc/64/23/52/556642352.db2.gz UMCUXSWVJORUBK-QGZVFWFLSA-N -1 3 433.468 3.203 40 0 IGABHM O=C(CCC1CCCC1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)C1CC1)C2 ZINC000019014614 556691810 /nfs/dbraw/zinc/69/18/10/556691810.db2.gz NYOUZAGCOHJSEN-FQEVSTJZSA-N -1 3 426.561 3.089 40 0 IGABHM Cc1cccc(CN2CCC[C@H]2c2nc3c(c(=O)[n-]2)CN(C(=O)c2ccc(F)cc2)CC3)n1 ZINC000019236238 556720763 /nfs/dbraw/zinc/72/07/63/556720763.db2.gz NIIQTYDECYMMMZ-QFIPXVFZSA-N -1 3 447.514 3.148 40 0 IGABHM O=C([C@H]1CC=CCC1)N1CCC[C@H](c2nc3c(c(=O)[n-]2)CN(Cc2cccs2)CC3)C1 ZINC000019343602 556741313 /nfs/dbraw/zinc/74/13/13/556741313.db2.gz DQOYQWZNYMWPOF-ROUUACIJSA-N -1 3 438.597 3.452 40 0 IGABHM O=C(c1cc2ccccc2c(=O)[nH]1)N1CCC(c2nc(-c3ccsc3)cc(=O)[n-]2)CC1 ZINC000019376184 556751893 /nfs/dbraw/zinc/75/18/93/556751893.db2.gz QRSMWQATQUHQRX-UHFFFAOYSA-N -1 3 432.505 3.360 40 0 IGABHM COc1cccc2c1cc(C(=O)N1CCC[C@@H]1c1nc3c(c(=O)[n-]1)CCN(C(C)C)C3)n2C ZINC000019448397 556757910 /nfs/dbraw/zinc/75/79/10/556757910.db2.gz MMSVXCUHRCQCTN-HXUWFJFHSA-N -1 3 449.555 3.426 40 0 IGABHM CC(C)c1nc(C[C@@H](NC(=O)Cc2ccc3c(c2)OCCO3)c2ccccc2)cc(=O)[n-]1 ZINC000019453562 556764277 /nfs/dbraw/zinc/76/42/77/556764277.db2.gz BWXKHRVAJPMZOP-HXUWFJFHSA-N -1 3 433.508 3.307 40 0 IGABHM Cc1ccc(Cn2nnc3c2nc(C2CCN(C(=O)c4ccccc4C)CC2)[n-]c3=O)cc1 ZINC000001324624 556770770 /nfs/dbraw/zinc/77/07/70/556770770.db2.gz JLAYUZXGRWDKQI-UHFFFAOYSA-N -1 3 442.523 3.200 40 0 IGABHM CCCC(=O)N1CCc2nc([C@@H]3CCCN(Cc4cccc(F)c4F)C3)[n-]c(=O)c2C1 ZINC000019501592 556772944 /nfs/dbraw/zinc/77/29/44/556772944.db2.gz 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40 0 IGABHM Cc1cccnc1CN1CCC(c2nc3c(c(=O)[n-]2)CN(C(=O)c2cccs2)CC3)CC1 ZINC000072398988 556971115 /nfs/dbraw/zinc/97/11/15/556971115.db2.gz WJBXQACVCWUGCZ-UHFFFAOYSA-N -1 3 449.580 3.113 40 0 IGABHM CCOc1cc(/C=C2\SC(=O)N(CC(=O)NCc3ccco3)C2=O)cc(Cl)c1[O-] ZINC000409214703 557009103 /nfs/dbraw/zinc/00/91/03/557009103.db2.gz XTNUJBGNLVUUGO-NVNXTCNLSA-N -1 3 436.873 3.390 40 0 IGABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccco3)cc2)cc1 ZINC000409389668 557101088 /nfs/dbraw/zinc/10/10/88/557101088.db2.gz IEVXWWNUOLWOGT-UHFFFAOYSA-N -1 3 430.482 3.174 40 0 IGABHM CCCOc1cc2c(cc1CN1[C@@H]3CC[C@H]1Cc1c(nc4cc(C)[n-]n4c1=O)C3)OCO2 ZINC000100219562 557248839 /nfs/dbraw/zinc/24/88/39/557248839.db2.gz KGABWRZRVSQRAO-DLBZAZTESA-N -1 3 436.512 3.393 40 0 IGABHM CC(=O)N1CCc2nc3cc([C@H]4CCCCN4Cc4ccc(C)s4)[n-]n3c(=O)c2C1 ZINC000100243148 557255368 /nfs/dbraw/zinc/25/53/68/557255368.db2.gz DXKNZWNMFUZCQV-HXUWFJFHSA-N -1 3 425.558 3.437 40 0 IGABHM COc1cccc(-c2noc(C[N-]S(=O)(=O)c3ccc4cc(OC)ccc4c3)n2)c1 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/nfs/dbraw/zinc/09/27/24/556092724.db2.gz AKAJSKARAZARFX-UHFFFAOYSA-N -1 3 432.542 3.400 40 0 IGABHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)cc2)c(OC)c1 ZINC000100932146 556611718 /nfs/dbraw/zinc/61/17/18/556611718.db2.gz WVDKNKYAZHNKRD-ZRBLBEILSA-N -1 3 446.459 3.461 40 0 IGABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4c5ccccc5C[C@@H]4C)[n-]c(=O)c32)c(F)c1 ZINC000038828253 556620425 /nfs/dbraw/zinc/62/04/25/556620425.db2.gz WNVNKWIQJOWGFZ-ZFWWWQNUSA-N -1 3 447.470 3.365 40 0 IGABHM COc1ccccc1Nc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(Cl)cc1)CC(=O)N2 ZINC000040400073 556642983 /nfs/dbraw/zinc/64/29/83/556642983.db2.gz BKYUNWBPGFEOGL-ZDUSSCGKSA-N -1 3 439.859 3.240 40 0 IGABHM COc1cc([C@H]2[C@@H]3C(=O)N(c4ccccc4OC)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000101027622 556644269 /nfs/dbraw/zinc/64/42/69/556644269.db2.gz ZLIJLRZZUHFMRB-VABKMULXSA-N -1 3 446.459 3.461 40 0 IGABHM CC(C)C(=O)N1CCC(c2nc([C@@H]3CCCN(C(=O)C4CCCC4)C3)cc(=O)[n-]2)CC1 ZINC000019085263 556698922 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JEJZVFUUOBXMOP-UHFFFAOYSA-N -1 3 446.486 3.030 40 0 IGABHM CCOc1ccc(O[C@@H](C)C(=O)N2CC[C@@H](c3cc(=O)[n-]c(-c4ccncc4)n3)C2)cc1 ZINC000019533560 556793369 /nfs/dbraw/zinc/79/33/69/556793369.db2.gz GEQINYSWYXBTMP-FUHWJXTLSA-N -1 3 434.496 3.014 40 0 IGABHM Cc1nn([C@H](C)CC(=O)N2CCC[C@H]2c2nc3c(c(=O)[n-]2)CCN(C(C)C)C3)c(C)c1C ZINC000019556135 556799093 /nfs/dbraw/zinc/79/90/93/556799093.db2.gz LSKBLZOGCTWWSS-VFNWGFHPSA-N -1 3 440.592 3.385 40 0 IGABHM COc1ccc(Cl)cc1C(=O)N1CC[C@H](c2nc(-c3cccnc3OC)cc(=O)[n-]2)C1 ZINC000019558976 556801039 /nfs/dbraw/zinc/80/10/39/556801039.db2.gz NLQVJKLNJXAIDP-ZDUSSCGKSA-N -1 3 440.887 3.132 40 0 IGABHM C[C@@H]1CN(c2nc3c(c(=O)[n-]2)CCN(Cc2ccc(Br)s2)C3)C[C@H](C)O1 ZINC000072335481 556908202 /nfs/dbraw/zinc/90/82/02/556908202.db2.gz XQKFSOZTSPNTSK-TXEJJXNPSA-N -1 3 439.379 3.178 40 0 IGABHM CCCC(=O)N1CCc2nc(C3CCN(Cc4ccc(F)cc4F)CC3)[n-]c(=O)c2C1 ZINC000072398990 556971078 /nfs/dbraw/zinc/97/10/78/556971078.db2.gz KYSNWORDUYRJFD-UHFFFAOYSA-N -1 3 430.499 3.113 40 0 IGABHM Cc1cc(CN2CCc3nc(C4CCN(C(=O)c5ccccn5)CC4)[n-]c(=O)c3C2)cs1 ZINC000072398969 556971177 /nfs/dbraw/zinc/97/11/77/556971177.db2.gz UHQLLOYKUYZHGC-UHFFFAOYSA-N -1 3 449.580 3.113 40 0 IGABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NCCCn3ccnc3)c2)cc1 ZINC000020040630 556971710 /nfs/dbraw/zinc/97/17/10/556971710.db2.gz IMKDKQBBJOEBSU-UHFFFAOYSA-N -1 3 432.933 3.466 40 0 IGABHM Cc1cccc(N2C(=O)[C@H](OC(=O)c3ccccc3)C(OC(=O)c3ccccc3)=C2[O-])c1 ZINC000409307462 557059279 /nfs/dbraw/zinc/05/92/79/557059279.db2.gz UYYZNPCRGPYQMB-OYRHEFFESA-N -1 3 429.428 3.319 40 0 IGABHM Cc1cccc(N2C(=O)[C@@H](OC(=O)c3ccccc3)C(OC(=O)c3ccccc3)=C2[O-])c1 ZINC000409307462 557059281 /nfs/dbraw/zinc/05/92/81/557059281.db2.gz UYYZNPCRGPYQMB-OYRHEFFESA-N -1 3 429.428 3.319 40 0 IGABHM O=C(C1CC1)N1CCc2cc(Br)cc(S(=O)(=O)[N-]Cc3cccs3)c21 ZINC000002459301 557225897 /nfs/dbraw/zinc/22/58/97/557225897.db2.gz MVUQNAYBOHJCGM-UHFFFAOYSA-N -1 3 441.372 3.288 40 0 IGABHM CCCC(=O)N1CCc2nc3cc(C4CCN(Cc5ccncc5C)CC4)[n-]n3c(=O)c2C1 ZINC000100232670 557249841 /nfs/dbraw/zinc/24/98/41/557249841.db2.gz MVMBFSMNSPQACM-UHFFFAOYSA-N -1 3 448.571 3.203 40 0 IGABHM CC(C)N1CCc2c(=O)n3[n-]c([C@@H]4CCCN4C(=O)Cc4ccc(F)cc4)cc3nc2C1 ZINC000100234276 557252407 /nfs/dbraw/zinc/25/24/07/557252407.db2.gz NDXDGSVLORWNHB-NRFANRHFSA-N -1 3 437.519 3.247 40 0 IGABHM CCC(CC)C(=O)N1CCC[C@@H](c2nc3c(nnn3Cc3ccc(F)cc3)c(=O)[n-]2)C1 ZINC000013083476 557276450 /nfs/dbraw/zinc/27/64/50/557276450.db2.gz UGIUYHKEUAPUTH-MRXNPFEDSA-N -1 3 426.496 3.257 40 0 IGABHM O=S(=O)(Cc1ccc(Cl)cc1)[N-]c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000014291469 557434501 /nfs/dbraw/zinc/43/45/01/557434501.db2.gz ORKOSNDSPCCSNO-UHFFFAOYSA-N -1 3 428.963 3.457 40 0 IGABHM O=C(c1cccs1)N1CCC[C@@H](c2nc3c(nnn3Cc3ccc(F)cc3)c(=O)[n-]2)C1 ZINC000015907255 557466335 /nfs/dbraw/zinc/46/63/35/557466335.db2.gz FJZOGJVVZMGERH-CQSZACIVSA-N -1 3 438.488 3.196 40 0 IGABHM COc1ccc([C@@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(C)cc3)s2)cc1 ZINC000223600121 557490664 /nfs/dbraw/zinc/49/06/64/557490664.db2.gz FVDJAGREWOSFJD-CYBMUJFWSA-N -1 3 432.527 3.147 40 0 IGABHM COC(=O)c1ccc(CS(=O)(=O)[N-]Cc2nc(-c3ccc(C(C)C)cc3)no2)cc1 ZINC000223637441 557494961 /nfs/dbraw/zinc/49/49/61/557494961.db2.gz MUXRCSXZUDJCGW-UHFFFAOYSA-N -1 3 429.498 3.266 40 0 IGABHM CC(C)Oc1ccc(NC(=O)C2([N-]S(=O)(=O)Cc3ccc(Cl)cc3F)CC2)cn1 ZINC000225928689 557793719 /nfs/dbraw/zinc/79/37/19/557793719.db2.gz DDONYAAJZZEBPS-UHFFFAOYSA-N -1 3 441.912 3.252 40 0 IGABHM CS(=O)(=O)c1cn[n-]c1C[C@H]1CCCN(Cc2ccccc2OCc2cccnc2)C1 ZINC000257272991 568698962 /nfs/dbraw/zinc/69/89/62/568698962.db2.gz NEVBZDFLBDZCMH-GOSISDBHSA-N -1 3 440.569 3.242 40 0 IGABHM CS(=O)(=O)c1c[n-]nc1C[C@H]1CCCN(Cc2ccccc2OCc2cccnc2)C1 ZINC000257272991 568698964 /nfs/dbraw/zinc/69/89/64/568698964.db2.gz NEVBZDFLBDZCMH-GOSISDBHSA-N -1 3 440.569 3.242 40 0 IGABHM Cc1cc2c(nc(C)n([N-]C(=O)CCn3nc(C(F)(F)F)c(Cl)c3C)c2=O)s1 ZINC000002781968 568789369 /nfs/dbraw/zinc/78/93/69/568789369.db2.gz 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COC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000016194213 556589628 /nfs/dbraw/zinc/58/96/28/556589628.db2.gz FTKVTEKIRJTRIM-UHFFFAOYSA-N -1 3 440.477 3.292 40 0 IGABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCc5ccccc5C4)[n-]c(=O)c32)cc1C ZINC000040390713 556637708 /nfs/dbraw/zinc/63/77/08/556637708.db2.gz GEQGSMIYECTDTF-IBGZPJMESA-N -1 3 443.507 3.014 40 0 IGABHM CCc1nn2c(nnc3c2ccn([N-]C(=O)c2cccnc2)c3=O)c1-c1ccc(Cl)cc1 ZINC000040395948 556638521 /nfs/dbraw/zinc/63/85/21/556638521.db2.gz URUNUHWQPJHRGP-UHFFFAOYSA-N -1 3 445.870 3.101 40 0 IGABHM COc1ccc(Cl)cc1NC(=O)C1CC(=O)Nc2nc(Nc3ccccc3)[n-]c(=O)c21 ZINC000040399245 556641841 /nfs/dbraw/zinc/64/18/41/556641841.db2.gz GWHNZOBKMNMAST-CYBMUJFWSA-N -1 3 439.859 3.240 40 0 IGABHM CCc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccccc4OC)[n-]c(=O)c32)cc1 ZINC000040400019 556642950 /nfs/dbraw/zinc/64/29/50/556642950.db2.gz MTGFYKQBLAAWOC-HNNXBMFYSA-N -1 3 433.468 3.149 40 0 IGABHM O=C1[N-]c2cc(Cl)c(CCN3CCN(c4nsc5ccccc54)CC3)cc2C1=O ZINC000044136580 556666131 /nfs/dbraw/zinc/66/61/31/556666131.db2.gz VWHQRPYTDLERQO-UHFFFAOYSA-N -1 3 426.929 3.449 40 0 in-vitro IGABHM COc1cccc(O[C@H](C)C(=O)N2CCC(c3nc(-c4ccccn4)cc(=O)[n-]3)CC2)c1 ZINC000019078022 556695216 /nfs/dbraw/zinc/69/52/16/556695216.db2.gz FZEBQRJDIQBOML-MRXNPFEDSA-N -1 3 434.496 3.426 40 0 IGABHM COc1cc(C)ccc1OCC(=O)N1CCC(c2nc(-c3nccs3)cc(=O)[n-]2)CC1 ZINC000019134202 556705356 /nfs/dbraw/zinc/70/53/56/556705356.db2.gz MMSNRCYKHVMTRO-UHFFFAOYSA-N -1 3 440.525 3.408 40 0 IGABHM Cc1ccc(C(=O)N2CC[C@H](c3nc4c(c(=O)[n-]3)CCN(Cc3cccnc3)C4)C2)cc1 ZINC000019135152 556705789 /nfs/dbraw/zinc/70/57/89/556705789.db2.gz VMDCUZZPVPTBIL-FQEVSTJZSA-N -1 3 429.524 3.074 40 0 IGABHM Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NS(=O)(=O)Cc2ccccc2F)cc(=O)[n-]1 ZINC000019285177 556726918 /nfs/dbraw/zinc/72/69/18/556726918.db2.gz IMFHCVQWQVGOIU-OAQYLSRUSA-N -1 3 440.500 3.102 40 0 IGABHM Cc1nc(C[C@@H](NC(=O)c2cc(C(C)(C)C)nn2C)c2ccc(Cl)cc2)cc(=O)[n-]1 ZINC000019285316 556727061 /nfs/dbraw/zinc/72/70/61/556727061.db2.gz CEOFZGCCVVZGCN-QGZVFWFLSA-N -1 3 427.936 3.477 40 0 IGABHM Cn1c2ccc(CN3CCC[C@@H](c4cc(=O)[n-]c(-c5cccs5)n4)C3)cc2n(C)c1=O ZINC000019289795 556729661 /nfs/dbraw/zinc/72/96/61/556729661.db2.gz VCVGEAVBKNLKNE-MRXNPFEDSA-N -1 3 435.553 3.068 40 0 IGABHM O=C(CC1CCCCC1)N1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(Cc2cccnc2)C3)C1 ZINC000019339512 556739478 /nfs/dbraw/zinc/73/94/78/556739478.db2.gz JQZAVSOPFKVFDE-FQEVSTJZSA-N -1 3 435.572 3.010 40 0 IGABHM O=C(c1cccs1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)c1cccs1)C2 ZINC000019342872 556740971 /nfs/dbraw/zinc/74/09/71/556740971.db2.gz QMJIDWIFLJJDOB-HNNXBMFYSA-N -1 3 440.550 3.069 40 0 IGABHM O=C(CCCn1ccnc1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCC1)C2 ZINC000019403590 556754188 /nfs/dbraw/zinc/75/41/88/556754188.db2.gz ZKJDPGMDPBGRMP-NRFANRHFSA-N -1 3 438.576 3.213 40 0 IGABHM O=C(Nc1ccc([C@@H]2NC(=Cc3ccc(Br)cc3)C(=O)O2)cc1)c1nc[n-]n1 ZINC000019419205 556755413 /nfs/dbraw/zinc/75/54/13/556755413.db2.gz MGNXNFNRTMKPHR-IKFRKZOMSA-N -1 3 440.257 3.006 40 0 IGABHM CC(C)N1CCc2nc3cc([C@@H]4CCCN(C(=O)c5cccc(F)c5)C4)[n-]n3c(=O)c2C1 ZINC000019448085 556757006 /nfs/dbraw/zinc/75/70/06/556757006.db2.gz FYZOVAYELSCZOB-QGZVFWFLSA-N -1 3 437.519 3.360 40 0 IGABHM CC(C)N1CCc2c(nc([C@@H]3CCCCN3C(=O)Cc3ccc(N(C)C)cc3)[n-]c2=O)C1 ZINC000019448341 556757453 /nfs/dbraw/zinc/75/74/53/556757453.db2.gz RSGZFYSHCFIBBT-QFIPXVFZSA-N -1 3 437.588 3.311 40 0 IGABHM COc1ccc2cc(C(=O)N3CCC[C@H]3c3nc4c(c(=O)[n-]3)CCN(C(C)C)C4)[nH]c2c1 ZINC000019448411 556758110 /nfs/dbraw/zinc/75/81/10/556758110.db2.gz ZNLLNEQJAKADKP-NRFANRHFSA-N -1 3 435.528 3.416 40 0 IGABHM Cc1ccc(Cn2nnc3c2nc([C@@H]2CCCN(C(=O)c4ccc(F)cc4)C2)[n-]c3=O)cc1 ZINC000001334358 556775749 /nfs/dbraw/zinc/77/57/49/556775749.db2.gz FRZBQHMVISNIQX-GOSISDBHSA-N -1 3 446.486 3.030 40 0 IGABHM COc1ccc(CN2CCc3nc([C@H]4CCCN4C(=O)c4ccncc4)[n-]c(=O)c3C2)cc1 ZINC000019555534 556798806 /nfs/dbraw/zinc/79/88/06/556798806.db2.gz YGTPUNJXFOOHSL-JOCHJYFZSA-N -1 3 445.523 3.121 40 0 IGABHM Cc1noc(C)c1C(=O)N[C@@H](Cc1cc(=O)[n-]c(-c2ccncc2)n1)c1ccc(F)cc1 ZINC000019580215 556818203 /nfs/dbraw/zinc/81/82/03/556818203.db2.gz BZWGBSIIJWJZHK-IBGZPJMESA-N -1 3 433.443 3.290 40 0 IGABHM Cc1ccc(C(=O)N2CCC[C@@H](c3nc4c(nnn4Cc4ccccc4)c(=O)[n-]3)C2)cc1 ZINC000006529900 556838491 /nfs/dbraw/zinc/83/84/91/556838491.db2.gz IUCJCIJYXMRQKV-LJQANCHMSA-N -1 3 428.496 3.303 40 0 IGABHM COc1ccc(CN2CCc3c(=O)[n-]c(N4CCC[C@H](C)C4)nc3C2)cc1Cn1cccn1 ZINC000072347348 556918633 /nfs/dbraw/zinc/91/86/33/556918633.db2.gz HAHRBECOQPAEBO-SFHVURJKSA-N -1 3 448.571 3.230 40 0 IGABHM COc1cc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)cc(I)c1[O-] ZINC000409085177 556948605 /nfs/dbraw/zinc/94/86/05/556948605.db2.gz WSFUPBGUALXWHY-JYRVWZFOSA-N -1 3 442.253 3.231 40 0 IGABHM Cc1cc(C)nc([N-]c2cncc([C@@H]3CCCN3S(=O)(=O)CCc3ccccc3)n2)n1 ZINC000072376462 556954829 /nfs/dbraw/zinc/95/48/29/556954829.db2.gz SCCOGUJRELNTHR-FQEVSTJZSA-N -1 3 438.557 3.336 40 0 IGABHM Cc1cc(CN2CCc3nc(N4CCC[C@H](C)C4)[n-]c(=O)c3C2)c(C)n1C[C@@H]1CCCO1 ZINC000072389582 556959717 /nfs/dbraw/zinc/95/97/17/556959717.db2.gz HVBOCUMJMIUQOW-UWJYYQICSA-N -1 3 439.604 3.162 40 0 IGABHM COc1cc(CNC(=O)c2ccc([N-]S(C)(=O)=O)c(Cl)c2)ccc1OC(C)C ZINC000020046734 556973631 /nfs/dbraw/zinc/97/36/31/556973631.db2.gz WSOWNGRFSSQQGV-UHFFFAOYSA-N -1 3 426.922 3.437 40 0 IGABHM CO[C@H]1CC[C@H](C(=O)N2CC[C@H](c3nc4c(c(=O)[n-]3)CCN(C3CCCC3)C4)C2)CC1 ZINC000257300606 557000640 /nfs/dbraw/zinc/00/06/40/557000640.db2.gz RVARIKQFKGPQMK-LNLFQRSKSA-N -1 3 428.577 3.004 40 0 IGABHM COc1ccc(CCNC(=O)[C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000409393122 557097237 /nfs/dbraw/zinc/09/72/37/557097237.db2.gz VMKJZXOVHPDXJL-LBPRGKRZSA-N -1 3 431.341 3.028 40 0 IGABHM O=C1[N-]C(=O)C2(C(=O)N1)[C@H](c1ccccc1Cl)C[C@@H](O)C[C@@H]2c1ccccc1Cl ZINC000247854567 557161067 /nfs/dbraw/zinc/16/10/67/557161067.db2.gz IXMSRPLKPNKWJO-SHHSBJBSSA-N -1 3 433.291 3.368 40 0 IGABHM CCC(CC)C(=O)N1CCC[C@H](c2nc3c(nnn3Cc3ccc(F)cc3)c(=O)[n-]2)C1 ZINC000013083478 557276513 /nfs/dbraw/zinc/27/65/13/557276513.db2.gz UGIUYHKEUAPUTH-INIZCTEOSA-N -1 3 426.496 3.257 40 0 IGABHM COc1ccc(C(=O)N2CCC[C@@H](c3nc4c(nnn4Cc4ccccc4)c(=O)[n-]3)C2)cc1 ZINC000013083755 557276824 /nfs/dbraw/zinc/27/68/24/557276824.db2.gz XXLNUWURRLQQET-GOSISDBHSA-N -1 3 444.495 3.004 40 0 IGABHM CC[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1)c1ccc(OC)cc1 ZINC000222860337 557395250 /nfs/dbraw/zinc/39/52/50/557395250.db2.gz JBNBUFIKUVAQHE-MRXNPFEDSA-N -1 3 432.527 3.229 40 0 IGABHM COc1cccc(-c2noc(C[N-]S(=O)(=O)c3ccc4c(c3)CCC(C)(C)O4)n2)c1 ZINC000223775900 557511789 /nfs/dbraw/zinc/51/17/89/557511789.db2.gz FMHGHRZVSQNLDY-UHFFFAOYSA-N -1 3 429.498 3.327 40 0 IGABHM CCC1(CC)C[C@@H]([N-]S(=O)(=O)c2nnc(NC(=O)C(C)C)s2)c2ccccc2O1 ZINC000224058729 557552988 /nfs/dbraw/zinc/55/29/88/557552988.db2.gz IVPHTTCQYFVNDH-CQSZACIVSA-N -1 3 438.575 3.494 40 0 IGABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccncc3)cc2)c1 ZINC000034836200 569247815 /nfs/dbraw/zinc/24/78/15/569247815.db2.gz QKIASCGAOHRTAA-UHFFFAOYSA-N -1 3 425.510 3.194 40 0 IGABHM Cn1nc(C2CCCC2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2C[N-]S(=O)(=O)c1cccs1 ZINC000012602149 291360887 /nfs/dbraw/zinc/36/08/87/291360887.db2.gz LKRZESZXFCQWGF-KSZLIROESA-N -1 3 434.631 3.296 40 0 biogenic,in-vitro IGABHM COC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000408592229 555953619 /nfs/dbraw/zinc/95/36/19/555953619.db2.gz KTICFGUEAROTOO-CYBMUJFWSA-N -1 3 446.447 3.036 40 0 IGABHM CCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)cc1Cl ZINC000408619010 555982420 /nfs/dbraw/zinc/98/24/20/555982420.db2.gz HNHKBXVYEQSYIB-UHFFFAOYSA-N -1 3 426.922 3.445 40 0 IGABHM CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1Cl ZINC000408636515 556019241 /nfs/dbraw/zinc/01/92/41/556019241.db2.gz RKABGNMLIFZNGB-ZDUSSCGKSA-N -1 3 426.922 3.443 40 0 IGABHM COc1ccc([C@H]2[C@H]3CCC[C@@H]([C@H](c4ccc(OC)cc4)N2C)C32NC(=O)[N-]C2=O)cc1 ZINC000005618546 556060639 /nfs/dbraw/zinc/06/06/39/556060639.db2.gz VTJKPXDJRWVZTI-VKQCNIHFSA-N -1 3 435.524 3.426 40 0 IGABHM COc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)cc1C(=O)N1CCCCCC1 ZINC000408693090 556093244 /nfs/dbraw/zinc/09/32/44/556093244.db2.gz GOPNZERCUZYJRG-UHFFFAOYSA-N -1 3 445.541 3.471 40 0 IGABHM COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1C(=O)N1CCOCC1 ZINC000408693532 556099189 /nfs/dbraw/zinc/09/91/89/556099189.db2.gz YXLSSQFTYLJHMC-UHFFFAOYSA-N -1 3 445.324 3.275 40 0 IGABHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)cc2)c(OC)c1 ZINC000100932138 556611679 /nfs/dbraw/zinc/61/16/79/556611679.db2.gz WVDKNKYAZHNKRD-VABKMULXSA-N -1 3 446.459 3.461 40 0 IGABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4c5ccccc5C[C@H]4C)[n-]c(=O)c32)c(F)c1 ZINC000038828255 556620381 /nfs/dbraw/zinc/62/03/81/556620381.db2.gz WNVNKWIQJOWGFZ-UKRRQHHQSA-N -1 3 447.470 3.365 40 0 IGABHM CCOc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccc(F)cc4)[n-]c(=O)c32)cc1 ZINC000040399641 556642089 /nfs/dbraw/zinc/64/20/89/556642089.db2.gz 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IGABHM COc1ccc2cc(C(=O)N3CCCC[C@@H]3c3nc4c(c(=O)[n-]3)CN(C(C)C)CC4)[nH]c2c1 ZINC000019448167 556757674 /nfs/dbraw/zinc/75/76/74/556757674.db2.gz ZVKWKVYTNHLGJM-JOCHJYFZSA-N -1 3 449.555 3.394 40 0 IGABHM CCOc1ccc(O[C@H](C)C(=O)N2CC[C@H](c3cc(=O)[n-]c(-c4ccncc4)n3)C2)cc1 ZINC000019533567 556793311 /nfs/dbraw/zinc/79/33/11/556793311.db2.gz GEQINYSWYXBTMP-AEFFLSMTSA-N -1 3 434.496 3.014 40 0 IGABHM COc1ccc(CN2CCc3nc([C@@H]4CCN(C(=O)C[C@H]5C=CCC5)C4)[n-]c(=O)c3C2)cc1 ZINC000019555561 556798603 /nfs/dbraw/zinc/79/86/03/556798603.db2.gz IKQQUMCOJXYOEM-AZUAARDMSA-N -1 3 448.567 3.421 40 0 IGABHM Cc1nn(C[C@H](C)C(=O)N2CCC[C@H]2c2nc3c(c(=O)[n-]2)CCN(C(C)C)C3)c(C)c1C ZINC000019556780 556799332 /nfs/dbraw/zinc/79/93/32/556799332.db2.gz XGUFEUCPETYMAY-BTYIYWSLSA-N -1 3 440.592 3.070 40 0 IGABHM Cc1cc(C)n(CCCC(=O)N2CCC[C@@H](c3nc(-c4cccs4)cc(=O)[n-]3)C2)n1 ZINC000019574054 556814206 /nfs/dbraw/zinc/81/42/06/556814206.db2.gz GNCSQOURRCEYTI-QGZVFWFLSA-N -1 3 425.558 3.498 40 0 IGABHM 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ZINC000253592409 569208967 /nfs/dbraw/zinc/20/89/67/569208967.db2.gz VTXAEANAAHESNQ-UNEWFSDZSA-N -1 3 426.542 3.152 40 0 IGABHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c(Cl)c1 ZINC000020482389 525216975 /nfs/dbraw/zinc/21/69/75/525216975.db2.gz JECKXHLKQCWFPB-UHFFFAOYSA-N -1 3 428.341 3.327 40 0 IGABHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)N3CCOCC3)cc2)cc1 ZINC000408593740 555959935 /nfs/dbraw/zinc/95/99/35/555959935.db2.gz NGVAQDOASSKZNX-GOSISDBHSA-N -1 3 446.569 3.456 40 0 IGABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCC(C)C)c(Cl)c2)cc1 ZINC000408635627 556013787 /nfs/dbraw/zinc/01/37/87/556013787.db2.gz GDEKGDGJJJTBQG-UHFFFAOYSA-N -1 3 426.922 3.300 40 0 IGABHM COc1ccc(S(=O)(=O)[N-]c2ccc3sc(C(=O)N4CCOCC4)cc3c2)cc1 ZINC000408713320 556129835 /nfs/dbraw/zinc/12/98/35/556129835.db2.gz SLXIFJNWJXIXCC-UHFFFAOYSA-N -1 3 432.523 3.183 40 0 IGABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)Nc1ccc2c(c1)OCCO2 ZINC000016490456 556612334 /nfs/dbraw/zinc/61/23/34/556612334.db2.gz WWCMKJGOKTVDIG-UHFFFAOYSA-N -1 3 440.477 3.276 40 0 IGABHM COc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccccc2Cl)CC(=O)N3)cc1 ZINC000040399889 556642585 /nfs/dbraw/zinc/64/25/85/556642585.db2.gz RCBSYCUKGQLLBH-CYBMUJFWSA-N -1 3 439.859 3.240 40 0 IGABHM COc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc(C)cc2F)CC(=O)N3)cc1 ZINC000040399969 556642625 /nfs/dbraw/zinc/64/26/25/556642625.db2.gz YWCOEVPVPXREFV-CQSZACIVSA-N -1 3 437.431 3.034 40 0 IGABHM COc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccccc2Cl)CC(=O)N3)cc1 ZINC000040399887 556642702 /nfs/dbraw/zinc/64/27/02/556642702.db2.gz RCBSYCUKGQLLBH-ZDUSSCGKSA-N -1 3 439.859 3.240 40 0 IGABHM COc1cccc(O[C@H](C)C(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[n-]3)CC2)c1 ZINC000019078065 556695212 /nfs/dbraw/zinc/69/52/12/556695212.db2.gz HXFWCIQQQKJIDA-CQSZACIVSA-N -1 3 440.525 3.488 40 0 IGABHM Cc1ccc(C(=O)N2CCC[C@H]2c2nc3c(c(=O)[n-]2)CCN(C(=O)c2ccncc2)C3)cc1 ZINC000019135275 556705825 /nfs/dbraw/zinc/70/58/25/556705825.db2.gz GKJVTPSMTHKZLH-NRFANRHFSA-N -1 3 443.507 3.061 40 0 IGABHM Cc1ccc(S(=O)(=O)N[C@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C)n2)cc1C ZINC000019214330 556711331 /nfs/dbraw/zinc/71/13/31/556711331.db2.gz RYSBPPFVCQXPNE-JOCHJYFZSA-N -1 3 436.537 3.439 40 0 IGABHM CCOc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCCC[C@@H]4CC)[n-]c(=O)c32)cc1 ZINC000139109920 556721328 /nfs/dbraw/zinc/72/13/28/556721328.db2.gz FTSNUEOYIMHWMJ-DOTOQJQBSA-N -1 3 439.516 3.002 40 0 IGABHM Cc1nc(C[C@H](NC(=O)C2(c3ccccc3)CCOCC2)c2ccc(F)cc2)cc(=O)[n-]1 ZINC000019285368 556727258 /nfs/dbraw/zinc/72/72/58/556727258.db2.gz KLYUYIBONZOZDM-QFIPXVFZSA-N -1 3 435.499 3.366 40 0 IGABHM COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4C(=O)[O-])[C@H]3C2=O)cc1 ZINC000013803831 556743199 /nfs/dbraw/zinc/74/31/99/556743199.db2.gz IJYVDSXEAORJEH-FSSWDIPSSA-N -1 3 444.443 3.445 40 0 IGABHM O=C(c1ccccn1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(Cc1cccs1)CC2 ZINC000019400162 556752860 /nfs/dbraw/zinc/75/28/60/556752860.db2.gz JEWDLFQPJHRDLS-HXUWFJFHSA-N -1 3 435.553 3.152 40 0 IGABHM CC(C)N1CCc2nc3cc([C@H]4CCCN(C(=O)c5cccc(F)c5)C4)[n-]n3c(=O)c2C1 ZINC000019448087 556757024 /nfs/dbraw/zinc/75/70/24/556757024.db2.gz FYZOVAYELSCZOB-KRWDZBQOSA-N -1 3 437.519 3.360 40 0 IGABHM CC(C)N1CCc2nc3cc([C@@H]4CCCCN4C(=O)Cc4ccccc4)[n-]n3c(=O)c2C1 ZINC000019448053 556757035 /nfs/dbraw/zinc/75/70/35/556757035.db2.gz VLLDXAOYXZTJGR-QFIPXVFZSA-N -1 3 433.556 3.498 40 0 IGABHM C[C@@H]1CN(c2nc3c(c(=O)[n-]2)CCN(Cc2ccc(OC(F)(F)F)cc2)C3)C[C@@H](C)O1 ZINC000019497593 556770425 /nfs/dbraw/zinc/77/04/25/556770425.db2.gz XTKNZSXINCWYTL-ZIAGYGMSSA-N -1 3 438.450 3.253 40 0 IGABHM O=C(c1cccc(Cl)c1)N1CCC(c2nc3c(nnn3Cc3ccccc3)c(=O)[n-]2)CC1 ZINC000001325122 556771123 /nfs/dbraw/zinc/77/11/23/556771123.db2.gz VMTKXFJWKKVGRD-UHFFFAOYSA-N -1 3 448.914 3.236 40 0 IGABHM O=C(c1ccc(Cl)cc1)N1CCC(c2nc3c(nnn3Cc3ccccc3)c(=O)[n-]2)CC1 ZINC000001325153 556771139 /nfs/dbraw/zinc/77/11/39/556771139.db2.gz NUFBRTDTCXUCDG-UHFFFAOYSA-N -1 3 448.914 3.236 40 0 IGABHM CCc1[nH]c(=O)c(C(=O)N[C@H](Cc2cc(=O)[n-]c(C3CCC3)n2)c2ccccc2)cc1C ZINC000019521460 556778357 /nfs/dbraw/zinc/77/83/57/556778357.db2.gz WSQOGRJBULWXTB-OAQYLSRUSA-N -1 3 432.524 3.310 40 0 IGABHM CCOc1ccc(O[C@H](C)C(=O)N2CC[C@@H](c3cc(=O)[n-]c(-c4ccncc4)n3)C2)cc1 ZINC000019533562 556793405 /nfs/dbraw/zinc/79/34/05/556793405.db2.gz GEQINYSWYXBTMP-SJLPKXTDSA-N -1 3 434.496 3.014 40 0 IGABHM CCCCCn1c(=O)[n-]c(=O)c2c3c(cnc21)C(=O)C[C@H](c1ccc(OC)c(OC)c1)C3 ZINC000019821241 556924204 /nfs/dbraw/zinc/92/42/04/556924204.db2.gz QCHXHWUSHZZXBG-OAHLLOKOSA-N -1 3 437.496 3.205 40 0 IGABHM CCCC(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)[C@H]3CC[C@H](OC)CC3)[n-]c2=O)C1 ZINC000257238663 556984933 /nfs/dbraw/zinc/98/49/33/556984933.db2.gz HLZBZMFCTZVVCA-ZWOKBUDYSA-N -1 3 444.576 3.126 40 0 IGABHM COc1cc(/C=C2/SC(=O)N(CC(=O)OCC(C)C)C2=O)cc(Br)c1[O-] ZINC000409209977 557004298 /nfs/dbraw/zinc/00/42/98/557004298.db2.gz HJOIMZUYAJLCNN-AWNIVKPZSA-N -1 3 444.303 3.399 40 0 IGABHM Cn1c2ccc(C(=O)CCl)cc2c2c1[C@H](c1ccc3c(c1)OCO3)N[C@@H](C(=O)[O-])C2 ZINC000115266980 557119680 /nfs/dbraw/zinc/11/96/80/557119680.db2.gz CDPZVGPKBLCWEV-QRWLVFNGSA-N -1 3 426.856 3.017 40 0 IGABHM N[C@@H](Cc1ccc(F)cc1)C(=O)NC[C@H]1CC[C@H](c2ccnc([N-]c3cnccn3)n2)CC1 ZINC000100708853 557270739 /nfs/dbraw/zinc/27/07/39/557270739.db2.gz HAIBOOZQCUSMIY-NSHGMRRFSA-N -1 3 449.534 3.109 40 0 IGABHM Cc1ccccc1C(=O)N1CCC[C@@H](c2nc3c(nnn3Cc3ccc(F)cc3)c(=O)[n-]2)C1 ZINC000013083487 557276838 /nfs/dbraw/zinc/27/68/38/557276838.db2.gz FNYUVESOKJTFAJ-QGZVFWFLSA-N -1 3 446.486 3.443 40 0 IGABHM CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(C(=O)[O-])cc1 ZINC000223280576 557455319 /nfs/dbraw/zinc/45/53/19/557455319.db2.gz NOEQOYHOVIFQOW-LEWJYISDSA-N -1 3 435.553 3.105 40 0 IGABHM Cn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nnc1-c1cc2ccccc2cc1[O-] ZINC000018159370 557496764 /nfs/dbraw/zinc/49/67/64/557496764.db2.gz GJXDPSNMRCQIJX-UHFFFAOYSA-N -1 3 448.504 3.478 40 0 IGABHM CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cc3ccncc3)cc2)ccc1OC ZINC000224224024 557577382 /nfs/dbraw/zinc/57/73/82/557577382.db2.gz NLCPXUOHCNEIEE-UHFFFAOYSA-N -1 3 425.510 3.232 40 0 IGABHM COc1ccc(Br)cc1S(=O)(=O)[N-]Cc1nc(-c2ccc(C)cc2)no1 ZINC000225805868 557779365 /nfs/dbraw/zinc/77/93/65/557779365.db2.gz IMLFQYUILQYQIX-UHFFFAOYSA-N -1 3 438.303 3.295 40 0 IGABHM O=C(N[C@@H]1CN(C(=O)Nc2cccc(C(F)(F)F)c2)CCC[C@H]1O)c1ccc([O-])cc1 ZINC000015672235 560230382 /nfs/dbraw/zinc/23/03/82/560230382.db2.gz BBIGNIIYTXPUKA-QZTJIDSGSA-N -1 3 437.418 3.198 40 0 biogenic,in-vitro IGABHM O=C(C[C@@H]1C=CCC1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1ccccc1F)C2 ZINC000019349408 569226689 /nfs/dbraw/zinc/22/66/89/569226689.db2.gz XPXDUMFHFALQQF-VGSWGCGISA-N -1 3 436.531 3.487 40 0 IGABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccncc3)cc2)c1 ZINC000033664048 569245630 /nfs/dbraw/zinc/24/56/30/569245630.db2.gz PQBVFDCWAIWRTA-UHFFFAOYSA-N -1 3 425.510 3.194 40 0 IGABHM CCOC(=O)c1ccc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000035128566 569248238 /nfs/dbraw/zinc/24/82/38/569248238.db2.gz IMWCYRILGYINQI-LLVKDONJSA-N -1 3 445.324 3.476 40 0 IGABHM N[C@H](Cc1ccc(F)cc1)C(=O)NCC1CCC(c2ccnc([N-]c3cnccn3)n2)CC1 ZINC000072380009 569250173 /nfs/dbraw/zinc/25/01/73/569250173.db2.gz HAIBOOZQCUSMIY-AFMYVXGZSA-N -1 3 449.534 3.109 40 0 IGABHM COC(=O)c1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)cc2)cc1 ZINC000009076182 569293556 /nfs/dbraw/zinc/29/35/56/569293556.db2.gz HGEYGPHKXWJQND-VSKRKVRLSA-N -1 3 444.443 3.230 40 0 IGABHM COC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408602102 193971896 /nfs/dbraw/zinc/97/18/96/193971896.db2.gz HSUHYMQRNRWQIO-CXAGYDPISA-N -1 3 445.368 3.034 40 0 IGABHM CC(=O)N1CC[C@@H](CC(=O)[O-])[C@@H](CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000012481562 519608146 /nfs/dbraw/zinc/60/81/46/519608146.db2.gz UZHVQUUBJPJNKX-ROUUACIJSA-N -1 3 441.494 3.177 40 0 biogenic,in-vitro IGABHM CCOc1ccc(CCCNC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)cc1OC ZINC000022522694 520947678 /nfs/dbraw/zinc/94/76/78/520947678.db2.gz JTJHLTMKVHQMLZ-UHFFFAOYSA-N -1 3 440.949 3.481 40 0 IGABHM COc1cc(CNC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)ccc1OC(C)C ZINC000020483701 522434583 /nfs/dbraw/zinc/43/45/83/522434583.db2.gz HLGBBHKOLROBMO-UHFFFAOYSA-N -1 3 426.922 3.437 40 0 IGABHM COCCCNC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408606166 555966549 /nfs/dbraw/zinc/96/65/49/555966549.db2.gz NZASYMGGGYXRDZ-KRWDZBQOSA-N -1 3 445.368 3.036 40 0 IGABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cc1Cl ZINC000408609564 555979834 /nfs/dbraw/zinc/97/98/34/555979834.db2.gz UBJTZIRDGNRDSP-KRWDZBQOSA-N -1 3 438.933 3.123 40 0 IGABHM COc1ccc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccc(C)cc2)cc1OC ZINC000008915341 556232527 /nfs/dbraw/zinc/23/25/27/556232527.db2.gz VVCZJTICMGHIIA-SQGPQFPESA-N -1 3 438.402 3.116 40 0 IGABHM CCSc1nnc([N-]C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)s1 ZINC000014740227 556438134 /nfs/dbraw/zinc/43/81/34/556438134.db2.gz AQKBXHBGYPVGMZ-UHFFFAOYSA-N -1 3 432.980 3.340 40 0 IGABHM COc1ccc(Br)cc1S(=O)(=O)[N-]Cc1cccc(N2CCCC2=O)c1 ZINC000032444077 556537780 /nfs/dbraw/zinc/53/77/80/556537780.db2.gz HTHNIUNRQBGXHK-UHFFFAOYSA-N -1 3 439.331 3.063 40 0 IGABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCc5ccccc5C4)[n-]c(=O)c32)c(C)c1 ZINC000040390760 556637575 /nfs/dbraw/zinc/63/75/75/556637575.db2.gz DPDNQTPMZLBJKE-SFHVURJKSA-N -1 3 443.507 3.014 40 0 IGABHM CCOc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccc(F)cc4)[n-]c(=O)c32)cc1 ZINC000040399639 556642061 /nfs/dbraw/zinc/64/20/61/556642061.db2.gz XLPOQKPJAHCBEZ-MRXNPFEDSA-N -1 3 437.431 3.116 40 0 IGABHM COc1ccccc1Nc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(C)c(C)c1)CC(=O)N2 ZINC000040400001 556642718 /nfs/dbraw/zinc/64/27/18/556642718.db2.gz UBXFDZNIQOWSMJ-OAHLLOKOSA-N -1 3 433.468 3.203 40 0 IGABHM Cc1ccc2oc(=O)n(CC(=O)N[C@H](Cc3cc(=O)[n-]c(C(C)C)n3)c3ccccc3)c2c1 ZINC000019221425 556715752 /nfs/dbraw/zinc/71/57/52/556715752.db2.gz BLDZRWHPHFOCBM-LJQANCHMSA-N -1 3 446.507 3.210 40 0 IGABHM COc1ccc([C@@H]2CN(C(=O)Cc3cccc(C)c3)C[C@H]2c2cc(=O)[n-]c(C)n2)cc1OC ZINC000019234815 556719391 /nfs/dbraw/zinc/71/93/91/556719391.db2.gz MADXBLNWQYGSOU-LEWJYISDSA-N -1 3 447.535 3.356 40 0 IGABHM Cc1ccsc1CN1CCc2nc([C@@H]3CCCN3C(=O)c3ccccn3)[n-]c(=O)c2C1 ZINC000019238688 556724040 /nfs/dbraw/zinc/72/40/40/556724040.db2.gz UYUBFIYIBCKXGX-IBGZPJMESA-N -1 3 435.553 3.070 40 0 IGABHM Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cc(C(C)(C)C)nn2C)cc(=O)[n-]1 ZINC000019285143 556726950 /nfs/dbraw/zinc/72/69/50/556726950.db2.gz GHEOGYCGIXXJSW-SFHVURJKSA-N -1 3 432.528 3.304 40 0 IGABHM O=C(CCN1CCc2ccccc2C1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000054360547 556730460 /nfs/dbraw/zinc/73/04/60/556730460.db2.gz NPBRRUSTMXSJGV-UHFFFAOYSA-N -1 3 442.566 3.331 40 0 IGABHM CC(C)N1CCc2nc([C@H]3CCCCN3C(=O)c3ccc4ccccc4n3)[n-]c(=O)c2C1 ZINC000019448177 556757559 /nfs/dbraw/zinc/75/75/59/556757559.db2.gz PYLWOZKPSNORJD-JOCHJYFZSA-N -1 3 431.540 3.452 40 0 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3 426.907 3.162 40 0 IGABHM Cc1ccc(S(=O)(=O)N(C)Cc2ncc(C(=O)[N-]c3c(F)cccc3F)cn2)cc1 ZINC000223383147 557465414 /nfs/dbraw/zinc/46/54/14/557465414.db2.gz RYTHKPYFPGGWOQ-UHFFFAOYSA-N -1 3 432.452 3.136 40 0 IGABHM COc1ccc(-c2nnc(NC(=O)c3ccc([N-]S(C)(=O)=O)cc3Cl)s2)cc1 ZINC000223491373 557479098 /nfs/dbraw/zinc/47/90/98/557479098.db2.gz QPFXKARTCJARSU-UHFFFAOYSA-N -1 3 438.918 3.491 40 0 IGABHM CCOc1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc(Br)cc3)n2)cc1 ZINC000223580527 557488389 /nfs/dbraw/zinc/48/83/89/557488389.db2.gz ZOOOYKQDWYFJPH-UHFFFAOYSA-N -1 3 438.303 3.376 40 0 IGABHM CC(C)(C)CC(=O)N1CCC(c2nc3c(nnn3Cc3ccc(F)cc3)c(=O)[n-]2)CC1 ZINC000018163790 557496782 /nfs/dbraw/zinc/49/67/82/557496782.db2.gz YWBVBZITYJVYBX-UHFFFAOYSA-N -1 3 426.496 3.257 40 0 IGABHM Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NS(=O)(=O)c2ccc(F)c(C)c2)cc(=O)[n-]1 ZINC000019570795 557501283 /nfs/dbraw/zinc/50/12/83/557501283.db2.gz FKSJROHMRLYOSM-OAQYLSRUSA-N -1 3 440.500 3.269 40 0 IGABHM COc1ccccc1OC[C@@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1OC ZINC000223755771 557509310 /nfs/dbraw/zinc/50/93/10/557509310.db2.gz ZPFXYUAJIFPKQQ-GFCCVEGCSA-N -1 3 430.320 3.212 40 0 IGABHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(OC3CCN(C)CC3)cc2)c1 ZINC000223843768 557519781 /nfs/dbraw/zinc/51/97/81/557519781.db2.gz PNDOMOPRENDGBG-UHFFFAOYSA-N -1 3 438.933 3.400 40 0 IGABHM COc1ccc(Br)cc1S(=O)(=O)[N-]Cc1nc(-c2cccs2)no1 ZINC000224122670 557564094 /nfs/dbraw/zinc/56/40/94/557564094.db2.gz NOVOLHUCHSSZAE-UHFFFAOYSA-N -1 3 430.305 3.048 40 0 IGABHM CCn1c(=O)sc2cc(NC(=O)c3cc([N-]S(C)(=O)=O)ccc3Cl)ccc21 ZINC000225106932 557688362 /nfs/dbraw/zinc/68/83/62/557688362.db2.gz XBNQQHCKJSFZIO-UHFFFAOYSA-N -1 3 425.919 3.360 40 0 IGABHM COc1ccc(Br)cc1S(=O)(=O)[N-]Cc1nc(-c2cccc(C)c2)no1 ZINC000225664338 557759139 /nfs/dbraw/zinc/75/91/39/557759139.db2.gz BWJNUUWPXPOGSX-UHFFFAOYSA-N -1 3 438.303 3.295 40 0 IGABHM O=C([C@H]1Cc2cc(Cl)ccc2O1)N1CCC(c2cncc([N-]c3ncccn3)n2)CC1 ZINC000257311433 568715964 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YGZSAXIWXHDUGR-UHFFFAOYSA-N -1 3 441.347 3.497 40 0 IGABHM CCOc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCCC[C@H]4CC)[n-]c(=O)c32)cc1 ZINC000139109804 569254812 /nfs/dbraw/zinc/25/48/12/569254812.db2.gz FTSNUEOYIMHWMJ-NVXWUHKLSA-N -1 3 439.516 3.002 40 0 IGABHM CCOCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl ZINC000408591382 555955316 /nfs/dbraw/zinc/95/53/16/555955316.db2.gz LTFHOBFCSYBKQB-UHFFFAOYSA-N -1 3 444.912 3.202 40 0 IGABHM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(O[C@H](C)C(=O)N2CCOCC2)cc1 ZINC000408597610 555965435 /nfs/dbraw/zinc/96/54/35/555965435.db2.gz VLUFYDBDVRDUPP-OAHLLOKOSA-N -1 3 438.933 3.075 40 0 IGABHM COCCCNC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408606167 555966617 /nfs/dbraw/zinc/96/66/17/555966617.db2.gz NZASYMGGGYXRDZ-QGZVFWFLSA-N -1 3 445.368 3.036 40 0 IGABHM COc1ccc([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC(C)C)cc2)cc1Cl ZINC000408600818 555969091 /nfs/dbraw/zinc/96/90/91/555969091.db2.gz CPOHNQMUYRBDJY-ZDUSSCGKSA-N -1 3 426.922 3.441 40 0 IGABHM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)N2CCOCC2)c1 ZINC000408693131 556093100 /nfs/dbraw/zinc/09/31/00/556093100.db2.gz IVPBOWZAXWECEM-UHFFFAOYSA-N -1 3 432.542 3.093 40 0 IGABHM CCOc1ccc(CCCNC(=O)c2ccc([N-]S(C)(=O)=O)c(Cl)c2)cc1OC ZINC000044843534 556668883 /nfs/dbraw/zinc/66/88/83/556668883.db2.gz URSMVPBBQTZRNL-UHFFFAOYSA-N -1 3 440.949 3.481 40 0 IGABHM COc1ccccc1O[C@H](C)C(=O)N1CCC(c2nc(-c3nccs3)cc(=O)[n-]2)CC1 ZINC000019078077 556695134 /nfs/dbraw/zinc/69/51/34/556695134.db2.gz DSWOPOKEMDUJAT-CQSZACIVSA-N -1 3 440.525 3.488 40 0 IGABHM CC(C)(C)C(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)c1ccc(F)cc1)CC2 ZINC000019081367 556696137 /nfs/dbraw/zinc/69/61/37/556696137.db2.gz RVSYATBYLQYIJS-SFHVURJKSA-N -1 3 426.492 3.229 40 0 IGABHM O=C1[C@@H]2C(=C([O-])N1c1ccc(N3CCOCC3)cc1)ON(c1ccccc1)[C@H]2c1ccco1 ZINC000138429567 556702214 /nfs/dbraw/zinc/70/22/14/556702214.db2.gz MRJZHFXLXKCAMK-VABKMULXSA-N -1 3 445.475 3.167 40 0 IGABHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)c(OC)c2)cc1 ZINC000013751079 556726135 /nfs/dbraw/zinc/72/61/35/556726135.db2.gz UVOPOOFLTDESHU-VABKMULXSA-N -1 3 446.459 3.461 40 0 IGABHM O=C(C1CCCC1)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)CN(Cc2cccs2)CC3)C1 ZINC000019343610 556741487 /nfs/dbraw/zinc/74/14/87/556741487.db2.gz PUWRFTIUZDSTDP-QGZVFWFLSA-N -1 3 426.586 3.286 40 0 IGABHM O=C(c1ccncc1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1cccs1)C2 ZINC000019343696 556741733 /nfs/dbraw/zinc/74/17/33/556741733.db2.gz KIWNZLXPAUPHTA-HXUWFJFHSA-N -1 3 435.553 3.152 40 0 IGABHM COc1ccc2cc(C(=O)N3CCC[C@@H]3c3nc4c(c(=O)[n-]3)CCN(C(C)C)C4)[nH]c2c1 ZINC000019448409 556758018 /nfs/dbraw/zinc/75/80/18/556758018.db2.gz ZNLLNEQJAKADKP-OAQYLSRUSA-N -1 3 435.528 3.416 40 0 IGABHM COc1cccc2[nH]c(C(=O)N3CCC[C@@H]3c3nc4c(c(=O)[n-]3)CCN(C(C)C)C4)cc21 ZINC000019448393 556758061 /nfs/dbraw/zinc/75/80/61/556758061.db2.gz XKBPAEUHHMCFJJ-HXUWFJFHSA-N -1 3 435.528 3.416 40 0 IGABHM CC(C)n1cc(C(=O)N[C@H](Cc2cc(=O)[n-]c(N3CCCC3)n2)c2ccc(F)cc2)cn1 ZINC000019454958 556765235 /nfs/dbraw/zinc/76/52/35/556765235.db2.gz HRTWTXYGMXGFIG-HXUWFJFHSA-N -1 3 438.507 3.000 40 0 IGABHM Cc1ccc(Cn2nnc3c2nc(C2CCN(C(=O)c4cccc(F)c4)CC2)[n-]c3=O)cc1 ZINC000001324632 556770796 /nfs/dbraw/zinc/77/07/96/556770796.db2.gz RYNBHTCIJVTNMK-UHFFFAOYSA-N -1 3 446.486 3.030 40 0 IGABHM O=C(c1ccccc1)N1CCC[C@H](c2nc3c(nnn3Cc3ccccc3Cl)c(=O)[n-]2)C1 ZINC000001334825 556776104 /nfs/dbraw/zinc/77/61/04/556776104.db2.gz SVCNNAPHJQLBBV-KRWDZBQOSA-N -1 3 448.914 3.236 40 0 IGABHM CCc1[nH]c(=O)c(C(=O)N[C@@H](Cc2cc(=O)[n-]c(C3CCC3)n2)c2ccccc2)cc1C ZINC000019521459 556778289 /nfs/dbraw/zinc/77/82/89/556778289.db2.gz WSQOGRJBULWXTB-NRFANRHFSA-N -1 3 432.524 3.310 40 0 IGABHM CCNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCCN(C(=O)Cc2c[n-][nH]c2=O)C1 ZINC000019528533 556787887 /nfs/dbraw/zinc/78/78/87/556787887.db2.gz BSXMGCVDCXYKEF-SANMLTNESA-N -1 3 446.551 3.312 40 0 IGABHM Cc1scc(C(=O)N2CC[C@H](c3nc4c(c(=O)[n-]3)CCN(Cc3cccnc3)C4)C2)c1C ZINC000019561832 556803325 /nfs/dbraw/zinc/80/33/25/556803325.db2.gz VQEPKJGDZXRULO-SFHVURJKSA-N -1 3 449.580 3.444 40 0 IGABHM Cc1cc(CN2CCC[C@H]2c2nc3c(c(=O)[n-]2)CCN(C(=O)c2ccncc2)C3)cs1 ZINC000019572063 556812312 /nfs/dbraw/zinc/81/23/12/556812312.db2.gz YIQHINXWLRECTI-FQEVSTJZSA-N -1 3 435.553 3.070 40 0 IGABHM COc1ccccc1OCC(=O)N1CCC[C@@H]1c1nc(C)c(Cc2ccccc2)c(=O)[n-]1 ZINC000019579265 556816925 /nfs/dbraw/zinc/81/69/25/556816925.db2.gz DJWQFHMFRAHEOX-HXUWFJFHSA-N -1 3 433.508 3.420 40 0 IGABHM Cc1noc(C)c1C(=O)N[C@H](Cc1cc(=O)[n-]c(-c2ccncc2)n1)c1ccc(F)cc1 ZINC000019580219 556818169 /nfs/dbraw/zinc/81/81/69/556818169.db2.gz BZWGBSIIJWJZHK-LJQANCHMSA-N -1 3 433.443 3.290 40 0 IGABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H]3COc4ccccc4O3)cc2)cc1 ZINC000408920186 556890841 /nfs/dbraw/zinc/89/08/41/556890841.db2.gz AKSAZAXXESIPRD-OAQYLSRUSA-N -1 3 440.477 3.275 40 0 IGABHM COc1ccc([C@H]2CC(=O)c3cnc4c(c(=O)[n-]c(=O)n4CCC(C)C)c3C2)cc1OC ZINC000019821247 556924405 /nfs/dbraw/zinc/92/44/05/556924405.db2.gz PJQDXYHGYLOESE-OAHLLOKOSA-N -1 3 437.496 3.061 40 0 IGABHM Cc1nn(C[C@@H](C)C(=O)N2CCC[C@@H]2c2nc3c(c(=O)[n-]2)CCN(C(C)C)C3)c(C)c1C ZINC000072398787 556970807 /nfs/dbraw/zinc/97/08/07/556970807.db2.gz XGUFEUCPETYMAY-QVKFZJNVSA-N -1 3 440.592 3.070 40 0 IGABHM CCCCNC(=O)CN1C(=O)S/C(=C\c2cc(Br)c([O-])c(OC)c2)C1=O ZINC000409198889 556992163 /nfs/dbraw/zinc/99/21/63/556992163.db2.gz ADLXRBSEFJNXIB-JYRVWZFOSA-N -1 3 443.319 3.116 40 0 IGABHM CO[C@H]1CC[C@H](C(=O)N2CC[C@@H](c3nc4c(c(=O)[n-]3)CCN(C3CCCCC3)C4)C2)CC1 ZINC000257295925 556999858 /nfs/dbraw/zinc/99/98/58/556999858.db2.gz RALVANCGTIJBAH-QWFCFKBJSA-N -1 3 442.604 3.394 40 0 IGABHM CC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c(O)n(-c3ccc(Br)cc3)c(=O)c1-2 ZINC000103769325 557140014 /nfs/dbraw/zinc/14/00/14/557140014.db2.gz BWLUUODADOFQTF-WBVHZDCISA-N -1 3 446.688 3.426 40 0 IGABHM Cc1cccc(-c2noc(CN(C)C(=O)c3ccc([N-]S(C)(=O)=O)cc3Cl)n2)c1 ZINC000219287570 557235692 /nfs/dbraw/zinc/23/56/92/557235692.db2.gz MUGAYBIPCIGSFP-UHFFFAOYSA-N -1 3 434.905 3.342 40 0 IGABHM N[C@H](Cc1ccc(F)cc1)C(=O)NC[C@H]1CC[C@H](c2ccnc([N-]c3ncccn3)n2)CC1 ZINC000100708855 557270813 /nfs/dbraw/zinc/27/08/13/557270813.db2.gz UIISZAIDRRIPFH-WSTZPKSXSA-N -1 3 449.534 3.109 40 0 IGABHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)cc2)cc1Br ZINC000023219501 557313475 /nfs/dbraw/zinc/31/34/75/557313475.db2.gz YCIJMEWWNOLLQA-UHFFFAOYSA-N -1 3 425.304 3.385 40 0 IGABHM COc1cc([C@@H]2c3c(ccc4ccccc43)Nc3[nH]c(=O)[n-]c(=O)c32)ccc1OC(C)=O ZINC000013564290 557340258 /nfs/dbraw/zinc/34/02/58/557340258.db2.gz QWRRSWHDUBAJPD-LJQANCHMSA-N -1 3 429.432 3.388 40 0 IGABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2F)ccc1OCC(=O)N(C)C ZINC000223245514 557450768 /nfs/dbraw/zinc/45/07/68/557450768.db2.gz JCIILGJUPVAJFH-UHFFFAOYSA-N -1 3 445.310 3.164 40 0 IGABHM COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)[N-]c1nnc(SC)s1 ZINC000225563946 557743058 /nfs/dbraw/zinc/74/30/58/557743058.db2.gz HWICFWXYWJDDCQ-UHFFFAOYSA-N -1 3 442.588 3.086 40 0 IGABHM COc1ccc2c(c1)C=C(C(=O)N1CCC(c3cncc([N-]c4ncccn4)n3)CC1)CO2 ZINC000257211096 568670160 /nfs/dbraw/zinc/67/01/60/568670160.db2.gz BXMLJINZQOGUBB-UHFFFAOYSA-N -1 3 444.495 3.201 40 0 IGABHM Cc1cc(C)nc([N-]c2cncc(C3CCN(C(=O)c4ccc5c(c4)OCCO5)CC3)n2)n1 ZINC000257225641 568676832 /nfs/dbraw/zinc/67/68/32/568676832.db2.gz FHDNDBCAOXACAQ-UHFFFAOYSA-N -1 3 446.511 3.418 40 0 IGABHM CS(=O)(=O)c1cn[n-]c1C[C@@H]1CCCN(Cc2ccccc2OCc2cccnc2)C1 ZINC000257272992 568698857 /nfs/dbraw/zinc/69/88/57/568698857.db2.gz NEVBZDFLBDZCMH-SFHVURJKSA-N -1 3 440.569 3.242 40 0 IGABHM CS(=O)(=O)c1c[n-]nc1C[C@@H]1CCCN(Cc2ccccc2OCc2cccnc2)C1 ZINC000257272992 568698859 /nfs/dbraw/zinc/69/88/59/568698859.db2.gz NEVBZDFLBDZCMH-SFHVURJKSA-N -1 3 440.569 3.242 40 0 IGABHM CC1CCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2cccc4ccccc42)CC(=O)N3)CC1 ZINC000022610246 521048755 /nfs/dbraw/zinc/04/87/55/521048755.db2.gz XBBCJZIIPLNZIO-KRWDZBQOSA-N -1 3 431.496 3.224 40 0 IGABHM COc1ccccc1CNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000408532264 555741098 /nfs/dbraw/zinc/74/10/98/555741098.db2.gz NQSQBVNYMNICHU-UHFFFAOYSA-N -1 3 444.484 3.330 40 0 IGABHM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1C(=O)N1CCOCC1 ZINC000408693204 556093422 /nfs/dbraw/zinc/09/34/22/556093422.db2.gz KJGKWYLARXVZOV-UHFFFAOYSA-N -1 3 445.324 3.275 40 0 IGABHM CCc1nn2c(nnc3c2ccn([N-]C(=O)c2ccncc2)c3=O)c1-c1ccc(Cl)cc1 ZINC000040395934 556638472 /nfs/dbraw/zinc/63/84/72/556638472.db2.gz CVFZQCLVJXMCCJ-UHFFFAOYSA-N -1 3 445.870 3.101 40 0 IGABHM COc1ccccc1Nc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(C)cc1C)CC(=O)N2 ZINC000040400009 556643027 /nfs/dbraw/zinc/64/30/27/556643027.db2.gz KCSOSKBYTXMUGU-CQSZACIVSA-N -1 3 433.468 3.203 40 0 IGABHM Cc1ccc(C(=O)N2CCc3nc([C@@H]4CCCN(C(=O)C5CCC5)C4)[n-]c(=O)c3C2)cc1 ZINC000019135503 556706074 /nfs/dbraw/zinc/70/60/74/556706074.db2.gz CBSDDSXTNFHEBH-LJQANCHMSA-N -1 3 434.540 3.195 40 0 IGABHM O=C([O-])COc1ccc(CN2C[C@@H](c3ccc(F)cc3)[C@]3(C2)CCCCC(=O)N3)cc1 ZINC000257292574 556716347 /nfs/dbraw/zinc/71/63/47/556716347.db2.gz QMDPILVLDGMXHL-XUZZJYLKSA-N -1 3 426.488 3.318 40 0 IGABHM Cc1cccc(CN2CCC[C@@H](c3nc4c(c(=O)[n-]3)CN(C(=O)c3cccs3)CC4)C2)n1 ZINC000019236231 556720781 /nfs/dbraw/zinc/72/07/81/556720781.db2.gz MLSMDERCUONELO-QGZVFWFLSA-N -1 3 449.580 3.113 40 0 IGABHM Cc1cccnc1CN1CCC[C@H](c2nc3c(c(=O)[n-]2)CN(C(=O)c2cccs2)CC3)C1 ZINC000019237796 556722792 /nfs/dbraw/zinc/72/27/92/556722792.db2.gz PXQMFZACBFQDAA-KRWDZBQOSA-N -1 3 449.580 3.113 40 0 IGABHM Cc1ccsc1CN1CCc2nc([C@H]3CCCN3C(=O)c3cccnc3)[n-]c(=O)c2C1 ZINC000019238691 556724166 /nfs/dbraw/zinc/72/41/66/556724166.db2.gz ZVHPIGVNPCHYON-LJQANCHMSA-N -1 3 435.553 3.070 40 0 IGABHM Cc1nccn1C[C@@H](C)C(=O)N1CCC(Cc2nc(-c3ccsc3)cc(=O)[n-]2)CC1 ZINC000019287669 556728544 /nfs/dbraw/zinc/72/85/44/556728544.db2.gz YJHZEOSODVYMOS-OAHLLOKOSA-N -1 3 425.558 3.121 40 0 IGABHM O=C(CN1CCc2nc(N3CCCC3)[n-]c(=O)c2C1)Nc1ccc(C2CCCCC2)cc1 ZINC000019333097 556737885 /nfs/dbraw/zinc/73/78/85/556737885.db2.gz DYPHMMGIXDJLIG-UHFFFAOYSA-N -1 3 435.572 3.415 40 0 IGABHM O=C([C@H]1CC=CCC1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1ccccc1F)C2 ZINC000019349390 556744404 /nfs/dbraw/zinc/74/44/04/556744404.db2.gz XEKNCUAECOATKY-HTAPYJJXSA-N -1 3 436.531 3.487 40 0 IGABHM O=c1[n-]c(N2CCCC2)nc2c1CN(Cc1nc3ccccc3n1Cc1ccccc1)CC2 ZINC000019372900 556749382 /nfs/dbraw/zinc/74/93/82/556749382.db2.gz RCDBAOCVUBPQCH-UHFFFAOYSA-N -1 3 440.551 3.326 40 0 IGABHM O=C(Cc1ccsc1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCC1)C2 ZINC000019406438 556755077 /nfs/dbraw/zinc/75/50/77/556755077.db2.gz BLKHOGLHSQQNKI-HXUWFJFHSA-N -1 3 426.586 3.428 40 0 IGABHM CC(C)N1CCc2nc3cc(C4CCN(C(=O)C5[C@@H]6CCCC[C@H]56)CC4)[n-]n3c(=O)c2C1 ZINC000019448121 556757163 /nfs/dbraw/zinc/75/71/63/556757163.db2.gz CDFRLPGUCGBTKT-NHJWOMDBSA-N -1 3 437.588 3.344 40 0 IGABHM Cc1cccc(C(=O)N2CCC[C@H](c3nc4c(nnn4Cc4ccc(F)cc4)c(=O)[n-]3)C2)c1 ZINC000001334602 556775708 /nfs/dbraw/zinc/77/57/08/556775708.db2.gz GYDCZMNTVLPMHS-SFHVURJKSA-N -1 3 446.486 3.030 40 0 IGABHM CCc1c(C)nc([C@H]2CCCN(Cc3ccc(OCC(=O)N4CCCC4)cc3)C2)[n-]c1=O ZINC000019521553 556778331 /nfs/dbraw/zinc/77/83/31/556778331.db2.gz LUVSXYQDGXNUMJ-FQEVSTJZSA-N -1 3 438.572 3.022 40 0 IGABHM CCn1nc2c(c1C(=O)N1CCC[C@@H]1c1nc3c(c(=O)[n-]1)CCN(C(C)C)C3)CCCC2 ZINC000019524090 556781256 /nfs/dbraw/zinc/78/12/56/556781256.db2.gz KMPIYINPSJWKPV-HXUWFJFHSA-N -1 3 438.576 3.021 40 0 IGABHM COc1ccc(CN2CCc3nc([C@@H]4CCCN4C(=O)c4ccncc4)[n-]c(=O)c3C2)cc1 ZINC000019555532 556798188 /nfs/dbraw/zinc/79/81/88/556798188.db2.gz YGTPUNJXFOOHSL-QFIPXVFZSA-N -1 3 445.523 3.121 40 0 IGABHM Cc1nn(C[C@H](C)C(=O)N2CCC[C@@H]2c2nc3c(c(=O)[n-]2)CCN(C(C)C)C3)c(C)c1C ZINC000019556783 556799319 /nfs/dbraw/zinc/79/93/19/556799319.db2.gz XGUFEUCPETYMAY-YCRPNKLZSA-N -1 3 440.592 3.070 40 0 IGABHM Cc1cc(OCC(=O)N2CC[C@H](c3cc(=O)[n-]c(-c4ccncc4)n3)C2)cc(C)c1Cl ZINC000019569908 556810078 /nfs/dbraw/zinc/81/00/78/556810078.db2.gz PKMPSYVFUQZFRG-KRWDZBQOSA-N -1 3 438.915 3.497 40 0 IGABHM O=C1N/C(=C\c2ccc([O-])c(I)c2)C(=O)N1Cc1ccccc1F ZINC000408961127 556900895 /nfs/dbraw/zinc/90/08/95/556900895.db2.gz AHDWQFPNVVHXMB-ZSOIEALJSA-N -1 3 438.196 3.229 40 0 IGABHM CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(=O)OCC)cc2Cl)ccc1OC ZINC000020107896 556983792 /nfs/dbraw/zinc/98/37/92/556983792.db2.gz BTYPDTKIFSVENJ-UHFFFAOYSA-N -1 3 440.905 3.076 40 0 IGABHM CO[C@H]1CC[C@H](C(=O)N2CC[C@@H](c3nc4c(c(=O)[n-]3)CCN(C3CCCC3)C4)C2)CC1 ZINC000257300607 557000700 /nfs/dbraw/zinc/00/07/00/557000700.db2.gz RVARIKQFKGPQMK-ZHALLVOQSA-N -1 3 428.577 3.004 40 0 IGABHM CCOc1cc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)ccc1OC ZINC000011859257 557236272 /nfs/dbraw/zinc/23/62/72/557236272.db2.gz WLLPRYOIDRRSSP-SQGPQFPESA-N -1 3 438.402 3.198 40 0 IGABHM 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/nfs/dbraw/zinc/06/61/28/556066128.db2.gz DNKBJDPDQCKRTC-UHFFFAOYSA-N -1 3 438.521 3.245 40 0 IGABHM COc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)cc1C(=O)N1CCCCC1 ZINC000408693509 556099325 /nfs/dbraw/zinc/09/93/25/556099325.db2.gz YCUAKQNDVNPDES-UHFFFAOYSA-N -1 3 431.514 3.081 40 0 IGABHM CCC[C@@H]1N=c2s/c(=C\c3c([O-])ccc4ccccc43)c(=O)n2C(C)=C1C(=O)OCC ZINC000408733273 556193583 /nfs/dbraw/zinc/19/35/83/556193583.db2.gz WVFCLVCMOXRHEK-YNGKYYQNSA-N -1 3 436.533 3.193 40 0 IGABHM CN(CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)c1ccccc1 ZINC000010100241 556325268 /nfs/dbraw/zinc/32/52/68/556325268.db2.gz GUOPXDODUPOWGM-UHFFFAOYSA-N -1 3 427.501 3.493 40 0 IGABHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c(Cl)c1 ZINC000030753529 556503801 /nfs/dbraw/zinc/50/38/01/556503801.db2.gz IOWJPHJKZPBFDQ-VMPITWQZSA-N -1 3 433.961 3.183 40 0 IGABHM CCOc1ccc(NC(=O)C2CC(=O)Nc3nc(N4[C@@H](C)CCC[C@@H]4C)[n-]c(=O)c32)cc1 ZINC000038828445 556620403 /nfs/dbraw/zinc/62/04/03/556620403.db2.gz LAKMPXNONCXLGI-GRDNDAEWSA-N -1 3 439.516 3.000 40 0 IGABHM COc1ccc(Cl)cc1NC(=O)C1CC(=O)Nc2nc(Nc3ccccc3)[n-]c(=O)c21 ZINC000040399246 556641823 /nfs/dbraw/zinc/64/18/23/556641823.db2.gz GWHNZOBKMNMAST-ZDUSSCGKSA-N -1 3 439.859 3.240 40 0 IGABHM CCc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccc(OC)cc4)[n-]c(=O)c32)cc1 ZINC000040399825 556642399 /nfs/dbraw/zinc/64/23/99/556642399.db2.gz BYKSJGVMHLLBQM-QGZVFWFLSA-N -1 3 433.468 3.149 40 0 IGABHM COc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2cccc(Cl)c2)CC(=O)N3)cc1 ZINC000040399883 556642683 /nfs/dbraw/zinc/64/26/83/556642683.db2.gz GDAJJXFQDNUZCU-HNNXBMFYSA-N -1 3 439.859 3.240 40 0 IGABHM COc1ccc(C)c(NC(=O)C2CC(=O)Nc3nc(Nc4ccc(C)cc4)[n-]c(=O)c32)c1 ZINC000040400521 556643302 /nfs/dbraw/zinc/64/33/02/556643302.db2.gz XMHRGIQBPLMNFU-MRXNPFEDSA-N -1 3 433.468 3.203 40 0 IGABHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)c(OC)c2)cc1 ZINC000101029478 556644397 /nfs/dbraw/zinc/64/43/97/556644397.db2.gz UVOPOOFLTDESHU-ZLNRFVROSA-N -1 3 446.459 3.461 40 0 IGABHM C/C(=C\c1ccccc1)CN1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(C(=O)C2CCC2)C3)C1 ZINC000019014348 556691557 /nfs/dbraw/zinc/69/15/57/556691557.db2.gz UARGIEJCSISEQX-TVADFSRQSA-N -1 3 432.568 3.348 40 0 IGABHM Cc1ccsc1CN1CCc2nc([C@H]3CCCN3C(=O)c3cccnc3C)[n-]c(=O)c2C1 ZINC000019238693 556724015 /nfs/dbraw/zinc/72/40/15/556724015.db2.gz NNGQQHWTLLTSQJ-HXUWFJFHSA-N -1 3 449.580 3.379 40 0 IGABHM Cc1cnccc1C(=O)N1CCc2nc([C@@H]3CCCN3CC3CCCCC3)[n-]c(=O)c2C1 ZINC000019239486 556725040 /nfs/dbraw/zinc/72/50/40/556725040.db2.gz SEGNFWYNDGBOGC-QFIPXVFZSA-N -1 3 435.572 3.389 40 0 IGABHM Cc1cnccc1C(=O)N1CCc2nc([C@H]3CCCN3C3CCC(C)CC3)[n-]c(=O)c2C1 ZINC000019239481 556725050 /nfs/dbraw/zinc/72/50/50/556725050.db2.gz JWKSJSCJWBHAFU-CWZMJNCASA-N -1 3 435.572 3.387 40 0 IGABHM O=C(C[C@@H]1NC(=O)c2ccccc21)N1CCC(Cc2nc(-c3ccsc3)cc(=O)[n-]2)CC1 ZINC000019375029 556751147 /nfs/dbraw/zinc/75/11/47/556751147.db2.gz BGYOPNNQOQLCDU-FQEVSTJZSA-N -1 3 448.548 3.154 40 0 IGABHM CCC(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)[C@@H](C)Cc3cccs3)[n-]c2=O)C1 ZINC000019499092 556770675 /nfs/dbraw/zinc/77/06/75/556770675.db2.gz KBFSQLVAKLAETA-HNAYVOBHSA-N -1 3 442.585 3.059 40 0 IGABHM CCc1nn(C)c(C(=O)N[C@H](Cc2cc(=O)[n-]c(-c3cccnc3)n2)c2ccccc2)c1C ZINC000019521046 556777902 /nfs/dbraw/zinc/77/79/02/556777902.db2.gz FXVLQEBBOCRRGW-OAQYLSRUSA-N -1 3 442.523 3.150 40 0 IGABHM CCn1cc(C(=O)N2CCC[C@H]2c2nc3c(c(=O)[n-]2)CCN(CC2CCCCC2)C3)cn1 ZINC000019524868 556782322 /nfs/dbraw/zinc/78/23/22/556782322.db2.gz UBJJFRLIDXRAEC-NRFANRHFSA-N -1 3 438.576 3.314 40 0 IGABHM COc1ccc(CN2CCc3c(=O)[n-]c([C@H]4CCN(C(=O)[C@H]5CC=CCC5)C4)nc3C2)cc1 ZINC000019555621 556798821 /nfs/dbraw/zinc/79/88/21/556798821.db2.gz TXCSJADYHKULRI-PMACEKPBSA-N -1 3 448.567 3.421 40 0 IGABHM CCCCCn1c(=O)[n-]c(=O)c2c3c(cnc21)C(=O)C[C@@H](c1ccc(OC)c(OC)c1)C3 ZINC000019821243 556924422 /nfs/dbraw/zinc/92/44/22/556924422.db2.gz QCHXHWUSHZZXBG-HNNXBMFYSA-N -1 3 437.496 3.205 40 0 IGABHM O=C(Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000019937722 556951747 /nfs/dbraw/zinc/95/17/47/556951747.db2.gz PKWCEDZXDAKYNY-QPJJXVBHSA-N -1 3 448.954 3.490 40 0 IGABHM Cc1cc(C)nc([N-]c2cncc([C@H]3CCCN3S(=O)(=O)CCc3ccccc3)n2)n1 ZINC000072376463 556954729 /nfs/dbraw/zinc/95/47/29/556954729.db2.gz SCCOGUJRELNTHR-HXUWFJFHSA-N -1 3 438.557 3.336 40 0 IGABHM O=C(Cn1cc(C=C2SC(=O)[N-]C2=O)c2cc(Br)ccc21)N1CCCC1 ZINC000409138127 556970429 /nfs/dbraw/zinc/97/04/29/556970429.db2.gz YZIFIDLEFWSLIV-CHHVJCJISA-N -1 3 434.315 3.350 40 0 IGABHM CCCC(=O)N1CCc2nc(C3CCN(Cc4cc(F)ccc4F)CC3)[n-]c(=O)c2C1 ZINC000072398989 556971246 /nfs/dbraw/zinc/97/12/46/556971246.db2.gz YRYRZJVJJLIDQO-UHFFFAOYSA-N -1 3 430.499 3.113 40 0 IGABHM O=S(=O)([N-]Cc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc(Cl)ccc1Cl ZINC000020768592 557126674 /nfs/dbraw/zinc/12/66/74/557126674.db2.gz OYGLLAPTWXSYSA-UHFFFAOYSA-N -1 3 449.381 3.256 40 0 IGABHM CC(=O)N1CCc2nc3cc([C@@H]4CCCCN4Cc4sccc4C)[n-]n3c(=O)c2C1 ZINC000100243128 557255237 /nfs/dbraw/zinc/25/52/37/557255237.db2.gz FITUTPUIXIYXAD-IBGZPJMESA-N -1 3 425.558 3.437 40 0 IGABHM Cc1ccc(C)c(Cn2nnc3c2nc([C@H]2CCCN(C(=O)c4cccs4)C2)[n-]c3=O)c1 ZINC000013150680 557300754 /nfs/dbraw/zinc/30/07/54/557300754.db2.gz PKWQENLWEYKORR-INIZCTEOSA-N -1 3 448.552 3.261 40 0 IGABHM Cc1ccc2c(c1)OC(C)(C)C[C@H]2[N-]S(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 ZINC000223103948 557431767 /nfs/dbraw/zinc/43/17/67/557431767.db2.gz HSHIREGVMLCSTA-CYBMUJFWSA-N -1 3 438.575 3.412 40 0 IGABHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)cc1N1C(=O)CCC1=O ZINC000224524588 557616427 /nfs/dbraw/zinc/61/64/27/557616427.db2.gz OMHHRHAZOKWNHP-UHFFFAOYSA-N -1 3 444.509 3.471 40 0 IGABHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccco2)ccc1[N-]S(C)(=O)=O ZINC000225414840 557720199 /nfs/dbraw/zinc/72/01/99/557720199.db2.gz WOXBKOAOPOJOCY-RTBURBONSA-N -1 3 444.538 3.232 40 0 IGABHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(N(C)S(C)(=O)=O)c2)cc1C(C)C ZINC000225452427 557724435 /nfs/dbraw/zinc/72/44/35/557724435.db2.gz WMFIPPRAXWOCQT-UHFFFAOYSA-N -1 3 426.560 3.324 40 0 IGABHM CC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c(O)n(-c3ccc(Br)cc3)c(=O)c1-2 ZINC000016138913 568871881 /nfs/dbraw/zinc/87/18/81/568871881.db2.gz RZBICIHXRAOOIY-DOTOQJQBSA-N -1 3 446.688 3.426 40 0 IGABHM O=C([C@@H]1CC=CCC1)N1CCC[C@H](c2nc3c(c(=O)[n-]2)CN(Cc2cccs2)CC3)C1 ZINC000019343607 569226456 /nfs/dbraw/zinc/22/64/56/569226456.db2.gz DQOYQWZNYMWPOF-MSOLQXFVSA-N -1 3 438.597 3.452 40 0 IGABHM CN1CCc2nc([C@H]3CCCN(C(=O)[C@H](c4ccccc4)C4CCCC4)C3)[n-]c(=O)c2C1 ZINC000019590210 569227323 /nfs/dbraw/zinc/22/73/23/569227323.db2.gz ALSBKKQFVFBFLU-NZQKXSOJSA-N -1 3 434.584 3.438 40 0 IGABHM COc1ccc(CNC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cc1 ZINC000107994151 569251907 /nfs/dbraw/zinc/25/19/07/569251907.db2.gz JQULYLWMBWPGLZ-UHFFFAOYSA-N -1 3 440.521 3.500 40 0 IGABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccccc3)cc2)cc1 ZINC000108114728 569252388 /nfs/dbraw/zinc/25/23/88/569252388.db2.gz ZXAITTXCQDNTPW-UHFFFAOYSA-N -1 3 426.494 3.191 40 0 IGABHM COc1ccc(CC(=O)N2CCC[C@@H](c3nc(-c4ccncc4)cc(=O)[n-]3)C2)cc1OC ZINC000012256844 523891943 /nfs/dbraw/zinc/89/19/43/523891943.db2.gz QACLLHMGAWTKBI-GOSISDBHSA-N -1 3 434.496 3.210 40 0 IGABHM O=C1CCC(=O)N1c1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1 ZINC000012200271 526965275 /nfs/dbraw/zinc/96/52/75/526965275.db2.gz MXKMXIROQLDEAZ-UHFFFAOYSA-N -1 3 427.251 3.042 40 0 IGABHM Cc1ccc(C)c(Cn2nnc3c2nc(C2CCN(C(=O)c4ccccc4)CC2)[n-]c3=O)c1 ZINC000001352192 555691552 /nfs/dbraw/zinc/69/15/52/555691552.db2.gz NKDBGEGZPHOLGY-UHFFFAOYSA-N -1 3 442.523 3.200 40 0 IGABHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)N3CCOCC3)cc2)c(C)c1 ZINC000408596878 555964427 /nfs/dbraw/zinc/96/44/27/555964427.db2.gz TUWACUZNCZQFKG-GOSISDBHSA-N -1 3 432.542 3.039 40 0 IGABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4c5ccccc5C[C@H]4C)[n-]c(=O)c32)c(F)c1 ZINC000038828257 556620277 /nfs/dbraw/zinc/62/02/77/556620277.db2.gz WNVNKWIQJOWGFZ-HIFRSBDPSA-N -1 3 447.470 3.365 40 0 IGABHM CCOc1ccc(NC(=O)C2CC(=O)Nc3nc(N4[C@H](C)CCC[C@@H]4C)[n-]c(=O)c32)cc1 ZINC000038828440 556620337 /nfs/dbraw/zinc/62/03/37/556620337.db2.gz LAKMPXNONCXLGI-JKIFEVAISA-N -1 3 439.516 3.000 40 0 IGABHM CCc1nn2c(ncc3c2ccn([N-]C(=O)c2ccncc2)c3=O)c1-c1ccc(F)cc1 ZINC000040396818 556639268 /nfs/dbraw/zinc/63/92/68/556639268.db2.gz BFHCEANYXGSGKT-UHFFFAOYSA-N -1 3 428.427 3.192 40 0 IGABHM COc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc(Cl)cc2)CC(=O)N3)cc1 ZINC000040399879 556642573 /nfs/dbraw/zinc/64/25/73/556642573.db2.gz FXMHIHIXGHASPZ-HNNXBMFYSA-N -1 3 439.859 3.240 40 0 IGABHM COc1ccccc1Nc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(Cl)cc1)CC(=O)N2 ZINC000040400075 556643033 /nfs/dbraw/zinc/64/30/33/556643033.db2.gz BKYUNWBPGFEOGL-CYBMUJFWSA-N -1 3 439.859 3.240 40 0 IGABHM COc1ccccc1Nc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(C)cc1F)CC(=O)N2 ZINC000040400164 556643074 /nfs/dbraw/zinc/64/30/74/556643074.db2.gz IEGBARJIHWCOAW-GFCCVEGCSA-N -1 3 437.431 3.034 40 0 IGABHM COc1ccccc1Nc1nc2c(c(=O)[n-]1)C(C(=O)Nc1cc(C)ccc1C)CC(=O)N2 ZINC000040400144 556643082 /nfs/dbraw/zinc/64/30/82/556643082.db2.gz RADCAKHDEBYWPQ-CQSZACIVSA-N -1 3 433.468 3.203 40 0 IGABHM CCOc1ccccc1NC(=O)C1CC(=O)Nc2nc(Nc3ccc(C)cc3)[n-]c(=O)c21 ZINC000040400399 556643317 /nfs/dbraw/zinc/64/33/17/556643317.db2.gz ZJOMTUYLUGHYAE-OAHLLOKOSA-N -1 3 433.468 3.285 40 0 IGABHM O=C(C[C@@H]1CCCCO1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCC1)C2 ZINC000019014636 556691738 /nfs/dbraw/zinc/69/17/38/556691738.db2.gz BDBTVIJBCFUENB-RXVVDRJESA-N -1 3 428.577 3.496 40 0 IGABHM O=C(C[C@@H]1CCCCO1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCC1)C2 ZINC000019014638 556691930 /nfs/dbraw/zinc/69/19/30/556691930.db2.gz BDBTVIJBCFUENB-GHTZIAJQSA-N -1 3 428.577 3.496 40 0 IGABHM Cc1ccc(C(=O)N2CCC[C@@H]2c2nc3c(c(=O)[n-]2)CN(Cc2cccnc2)CC3)cc1 ZINC000019135354 556705815 /nfs/dbraw/zinc/70/58/15/556705815.db2.gz WWLTWCAYIMUXAJ-JOCHJYFZSA-N -1 3 429.524 3.009 40 0 IGABHM Cc1ccsc1CN1CCc2nc([C@H]3CCCN3C(=O)c3ccncc3)[n-]c(=O)c2C1 ZINC000019238697 556724192 /nfs/dbraw/zinc/72/41/92/556724192.db2.gz VZMGTTSOTNBHLZ-LJQANCHMSA-N -1 3 435.553 3.070 40 0 IGABHM Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cc(C(F)(F)F)n(C)n2)cc(=O)[n-]1 ZINC000019285134 556726844 /nfs/dbraw/zinc/72/68/44/556726844.db2.gz GENSTUUZLMOYEZ-OAHLLOKOSA-N -1 3 444.417 3.026 40 0 IGABHM Cc1nc(C(=O)N2CCC(c3cc4nc(C(C)C)cc(C(F)(F)F)n4n3)CC2)cc(=O)[n-]1 ZINC000019240919 556726939 /nfs/dbraw/zinc/72/69/39/556726939.db2.gz AMINBDDHRSCZNL-UHFFFAOYSA-N -1 3 448.449 3.283 40 0 IGABHM O=C(CCC1CCCC1)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CN(Cc2cccnc2)CC3)C1 ZINC000019339390 556739307 /nfs/dbraw/zinc/73/93/07/556739307.db2.gz IYLBZVVGKWVUNC-HXUWFJFHSA-N -1 3 435.572 3.010 40 0 IGABHM O=C(CCC1CCCC1)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CCN(Cc2cccnc2)C3)C1 ZINC000019339537 556739852 /nfs/dbraw/zinc/73/98/52/556739852.db2.gz BSQUFRWTQGSEAA-HXUWFJFHSA-N -1 3 435.572 3.010 40 0 IGABHM O=C(c1cccs1)N1CCc2c(=O)[n-]c([C@H]3CCCN3C(=O)[C@@H]3CC=CCC3)nc2C1 ZINC000019342863 556741060 /nfs/dbraw/zinc/74/10/60/556741060.db2.gz NYNVCRSZDPGJDA-CRAIPNDOSA-N -1 3 438.553 3.050 40 0 IGABHM C[C@@H](CC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCC1)C2)n1cccn1 ZINC000019455301 556765458 /nfs/dbraw/zinc/76/54/58/556765458.db2.gz JMGLWOXSCHZQKF-LAUBAEHRSA-N -1 3 438.576 3.384 40 0 IGABHM C[C@H](CC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCC1)C2)n1cccn1 ZINC000019455307 556765556 /nfs/dbraw/zinc/76/55/56/556765556.db2.gz JMGLWOXSCHZQKF-UTKZUKDTSA-N -1 3 438.576 3.384 40 0 IGABHM CCC(=O)N1CCc2c(=O)[n-]c([C@H]3CCCCN3C(=O)c3cccc(Cl)c3)nc2C1 ZINC000019499132 556771141 /nfs/dbraw/zinc/77/11/41/556771141.db2.gz XMQJWPKHCAADIW-GOSISDBHSA-N -1 3 428.920 3.085 40 0 IGABHM CC(C)(C)c1ccc(Cn2nnc3c2nc([C@@H]2CCCN(C(=O)C4CCC4)C2)[n-]c3=O)cc1 ZINC000001334383 556775833 /nfs/dbraw/zinc/77/58/33/556775833.db2.gz WSMDCDYLGSIBMR-GOSISDBHSA-N -1 3 448.571 3.367 40 0 IGABHM COc1ccc(CN2CCc3nc([C@H]4CCN(C(=O)C[C@H]5C=CCC5)C4)[n-]c(=O)c3C2)cc1 ZINC000019555565 556798703 /nfs/dbraw/zinc/79/87/03/556798703.db2.gz IKQQUMCOJXYOEM-ICSRJNTNSA-N -1 3 448.567 3.421 40 0 IGABHM COc1ncccc1-c1cc(=O)[n-]c([C@@H]2CCCN2C(=O)c2cccc3ncccc32)n1 ZINC000019594665 556830382 /nfs/dbraw/zinc/83/03/82/556830382.db2.gz ONKJOWPVJNVZDO-FQEVSTJZSA-N -1 3 427.464 3.366 40 0 IGABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)NCc1ccc(F)cc1 ZINC000020020715 556964876 /nfs/dbraw/zinc/96/48/76/556964876.db2.gz SURSPLNDEUXXHE-UHFFFAOYSA-N -1 3 432.448 3.461 40 0 IGABHM CNC(=O)c1sc2ccccc2c1[C@H]1CC[C@H](C[N-]S(=O)(=O)c2cn(C)cn2)CC1 ZINC000257297233 556999612 /nfs/dbraw/zinc/99/96/12/556999612.db2.gz RGLMQJTUDWSGJL-SHTZXODSSA-N -1 3 446.598 3.247 40 0 IGABHM COc1cccc(N2C(=O)[C@H](OC(=O)c3ccccc3)C(OC(=O)c3ccccc3)=C2[O-])c1 ZINC000409293127 557050273 /nfs/dbraw/zinc/05/02/73/557050273.db2.gz JBSJJEZLBLDKPD-OYRHEFFESA-N -1 3 445.427 3.020 40 0 IGABHM COc1cccc(N2C(=O)[C@@H](OC(=O)c3ccccc3)C(OC(=O)c3ccccc3)=C2[O-])c1 ZINC000409293127 557050276 /nfs/dbraw/zinc/05/02/76/557050276.db2.gz JBSJJEZLBLDKPD-OYRHEFFESA-N -1 3 445.427 3.020 40 0 IGABHM COc1cc(CN2[C@@H]3CC[C@H]2Cc2c(=O)n4[n-]c(C)cc4nc2C3)ccc1OC(F)F ZINC000100219537 557248753 /nfs/dbraw/zinc/24/87/53/557248753.db2.gz FIOMNLBIMCESKV-LSDHHAIUSA-N -1 3 430.455 3.485 40 0 IGABHM CC(C)N1CCc2c(=O)n3[n-]c([C@H]4CCCN4C(=O)Cc4ccc(F)cc4)cc3nc2C1 ZINC000100234280 557252321 /nfs/dbraw/zinc/25/23/21/557252321.db2.gz NDXDGSVLORWNHB-OAQYLSRUSA-N -1 3 437.519 3.247 40 0 IGABHM CC(C)(C)OC(=O)N1CCC[C@H]1C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000072203303 557340854 /nfs/dbraw/zinc/34/08/54/557340854.db2.gz QIQAMKJWIOVPNO-JTQLQIEISA-N -1 3 425.370 3.188 40 0 IGABHM O=C(c1cccs1)N1CCC[C@H](c2nc3c(nnn3Cc3ccc(F)cc3)c(=O)[n-]2)C1 ZINC000015907257 557466429 /nfs/dbraw/zinc/46/64/29/557466429.db2.gz FJZOGJVVZMGERH-AWEZNQCLSA-N -1 3 438.488 3.196 40 0 IGABHM CC(=O)Nc1ccc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000033665806 557469523 /nfs/dbraw/zinc/46/95/23/557469523.db2.gz GZPDJLSSJVCFBH-JTQLQIEISA-N -1 3 430.313 3.257 40 0 IGABHM COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1N1C(=O)CCC1=O ZINC000223911566 557527850 /nfs/dbraw/zinc/52/78/50/557527850.db2.gz SLHCLJMHRMKSHL-UHFFFAOYSA-N -1 3 429.281 3.456 40 0 IGABHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-n1cnnc1 ZINC000224595313 557628889 /nfs/dbraw/zinc/62/88/89/557628889.db2.gz YYAOYFKIVAJILK-NHCUHLMSSA-N -1 3 431.525 3.286 40 0 IGABHM CCSc1nnc([N-]C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2OC)s1 ZINC000225204804 557699914 /nfs/dbraw/zinc/69/99/14/557699914.db2.gz MGFROTTXRKBBEO-UHFFFAOYSA-N -1 3 442.588 3.086 40 0 IGABHM O=C([O-])c1ccc(CNC[C@H]2Cn3cc(-c4ccc5c(c4)OCCCO5)nc3CO2)cc1 ZINC000096269284 560054273 /nfs/dbraw/zinc/05/42/73/560054273.db2.gz KODISRFIJVJZNU-IBGZPJMESA-N -1 3 435.480 3.098 40 0 biogenic,in-vitro IGABHM CS(=O)(=O)c1cn[n-]c1[C@@H]1CCCN(Cc2ccccc2OCc2ccccn2)C1 ZINC000257245945 568686421 /nfs/dbraw/zinc/68/64/21/568686421.db2.gz IRUXYXMJAJJMJU-GOSISDBHSA-N -1 3 426.542 3.167 40 0 IGABHM CS(=O)(=O)c1c[n-]nc1[C@@H]1CCCN(Cc2ccccc2OCc2ccccn2)C1 ZINC000257245945 568686424 /nfs/dbraw/zinc/68/64/24/568686424.db2.gz IRUXYXMJAJJMJU-GOSISDBHSA-N -1 3 426.542 3.167 40 0 IGABHM CN(CCc1ccccc1)C(=O)c1c([O-])ccc2c1O[C@@H]1C[C@H]3C[C@H](C3(C)C)[C@]1(O)[C@H]2O ZINC000257247913 568687522 /nfs/dbraw/zinc/68/75/22/568687522.db2.gz JBDLYZWYIRWDBW-OCMFATBGSA-N -1 3 437.536 3.298 40 0 IGABHM COc1ccc(CN2CCc3nc([C@@H]4CCN(C(=O)[C@@H]5CC=CCC5)C4)[n-]c(=O)c3C2)cc1 ZINC000247918219 569206588 /nfs/dbraw/zinc/20/65/88/569206588.db2.gz WUTHUAUABDRREL-WOJBJXKFSA-N -1 3 448.567 3.421 40 0 IGABHM CC(C)N1CCc2nc3cc(C4CCN(C(=O)[C@H]5[C@@H]6CCCC[C@@H]65)CC4)[n-]n3c(=O)c2C1 ZINC000248141526 569207351 /nfs/dbraw/zinc/20/73/51/569207351.db2.gz CDFRLPGUCGBTKT-CYGODWOOSA-N -1 3 437.588 3.344 40 0 IGABHM O=C(C[C@H]1CCCCO1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCC1)C2 ZINC000019014640 569226081 /nfs/dbraw/zinc/22/60/81/569226081.db2.gz BDBTVIJBCFUENB-NQIIRXRSSA-N -1 3 428.577 3.496 40 0 IGABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3cccnc3)cc2)c1 ZINC000033738258 569246388 /nfs/dbraw/zinc/24/63/88/569246388.db2.gz UCIHXLZOARSYAJ-UHFFFAOYSA-N -1 3 425.510 3.194 40 0 IGABHM C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(c3c(cc1[O-])C(=O)N(CCO)C3)O2 ZINC000013367860 291360005 /nfs/dbraw/zinc/36/00/05/291360005.db2.gz ZHECNBLIOXZXBL-JUTSDPTHSA-N -1 3 429.557 3.247 40 0 biogenic,in-vitro IGABHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1Cl ZINC000020110764 525217165 /nfs/dbraw/zinc/21/71/65/525217165.db2.gz DIGFSDXTYCNXSX-UHFFFAOYSA-N -1 3 428.341 3.327 40 0 IGABHM CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(Cl)c2)cc1 ZINC000408550234 555862316 /nfs/dbraw/zinc/86/23/16/555862316.db2.gz BTIZSBVYYHFSRV-CYBMUJFWSA-N -1 3 426.922 3.443 40 0 IGABHM CCN(CC)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(Cl)c2)cc1 ZINC000408556242 555893648 /nfs/dbraw/zinc/89/36/48/555893648.db2.gz ZTNDMTTYRVXOOW-UHFFFAOYSA-N -1 3 426.922 3.397 40 0 IGABHM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(O[C@@H](C)C(=O)N2CCOCC2)cc1 ZINC000408592955 555954611 /nfs/dbraw/zinc/95/46/11/555954611.db2.gz LCISKFGMWBUCFT-HNNXBMFYSA-N -1 3 438.933 3.075 40 0 IGABHM CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1Cl ZINC000408636514 556019222 /nfs/dbraw/zinc/01/92/22/556019222.db2.gz RKABGNMLIFZNGB-CYBMUJFWSA-N -1 3 426.922 3.443 40 0 IGABHM CCC[C@H]1N=c2s/c(=C\c3c([O-])ccc4ccccc43)c(=O)n2C(C)=C1C(=O)OCC ZINC000408733272 556193464 /nfs/dbraw/zinc/19/34/64/556193464.db2.gz WVFCLVCMOXRHEK-RXWSAZGZSA-N -1 3 436.533 3.193 40 0 IGABHM CCc1cccc(C(C)C)c1NC(=O)C([O-])=C(Cc1nc2ccccc2[nH]c1=O)C(=O)OC ZINC000008653629 556196937 /nfs/dbraw/zinc/19/69/37/556196937.db2.gz HIZPXEKYWKIHGU-QGZVFWFLSA-N -1 3 449.507 3.148 40 0 IGABHM Cc1nc2c(nnn2C[C@H]2CCCN(C(=O)[C@@H](C)c3ccc(CC(C)C)cc3)C2)c(=O)[n-]1 ZINC000012084996 556398578 /nfs/dbraw/zinc/39/85/78/556398578.db2.gz WTDXGDHCYUZRAK-LPHOPBHVSA-N -1 3 436.560 3.476 40 0 IGABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCCc5ccccc54)[n-]c(=O)c32)c(F)c1 ZINC000038828213 556620445 /nfs/dbraw/zinc/62/04/45/556620445.db2.gz DRZSUVFPMFCOHW-OAHLLOKOSA-N -1 3 447.470 3.366 40 0 IGABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCc5ccccc5C4)[n-]c(=O)c32)c(C)c1 ZINC000040390757 556637644 /nfs/dbraw/zinc/63/76/44/556637644.db2.gz DPDNQTPMZLBJKE-GOSISDBHSA-N -1 3 443.507 3.014 40 0 IGABHM COc1ccc(C)cc1NC(=O)C1CC(=O)Nc2nc(Nc3ccc(F)cc3)[n-]c(=O)c21 ZINC000040399742 556642394 /nfs/dbraw/zinc/64/23/94/556642394.db2.gz CFLFFTVKGIRWRM-AWEZNQCLSA-N -1 3 437.431 3.034 40 0 IGABHM COc1ccccc1Nc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(C)cc1F)CC(=O)N2 ZINC000040400166 556642937 /nfs/dbraw/zinc/64/29/37/556642937.db2.gz IEGBARJIHWCOAW-LBPRGKRZSA-N -1 3 437.431 3.034 40 0 IGABHM Cc1ccc(C(=O)N2CCC[C@H]2c2nc3c(c(=O)[n-]2)CN(Cc2cccnc2)CC3)cc1 ZINC000019135358 556705761 /nfs/dbraw/zinc/70/57/61/556705761.db2.gz WWLTWCAYIMUXAJ-QFIPXVFZSA-N -1 3 429.524 3.009 40 0 IGABHM CCOc1ccccc1NC(=O)C1CC(=O)Nc2nc(N3CCCC[C@@H]3CC)[n-]c(=O)c21 ZINC000139115037 556721262 /nfs/dbraw/zinc/72/12/62/556721262.db2.gz VXCIMTMSBSQYJU-LSDHHAIUSA-N -1 3 439.516 3.002 40 0 IGABHM Cc1nc(C[C@@H](NC(=O)C2(c3ccccc3)CCOCC2)c2ccc(F)cc2)cc(=O)[n-]1 ZINC000019285366 556727197 /nfs/dbraw/zinc/72/71/97/556727197.db2.gz KLYUYIBONZOZDM-JOCHJYFZSA-N -1 3 435.499 3.366 40 0 IGABHM O=C(Nc1ccc([C@@H]2NC(=Cc3ccc(Br)cc3)C(=O)O2)cc1)c1nc[n-]n1 ZINC000019419206 556755475 /nfs/dbraw/zinc/75/54/75/556755475.db2.gz MGNXNFNRTMKPHR-IDGGIGOKSA-N -1 3 440.257 3.006 40 0 IGABHM Cc1ccc(Cn2nnc3c2nc([C@H]2CCCN(C(=O)c4ccc(F)cc4)C2)[n-]c3=O)cc1 ZINC000001334355 556775688 /nfs/dbraw/zinc/77/56/88/556775688.db2.gz FRZBQHMVISNIQX-SFHVURJKSA-N -1 3 446.486 3.030 40 0 IGABHM Cc1ccc(Cn2nnc3c2nc([C@H]2CCCN(C(=O)c4ccccc4C)C2)[n-]c3=O)cc1 ZINC000001334223 556775865 /nfs/dbraw/zinc/77/58/65/556775865.db2.gz UZYCSKOYRKMSDT-IBGZPJMESA-N -1 3 442.523 3.200 40 0 IGABHM CCOc1cc(CCC(=O)N2CCC[C@@H](c3nc(-c4cccs4)cc(=O)[n-]3)C2)on1 ZINC000019532342 556792557 /nfs/dbraw/zinc/79/25/57/556792557.db2.gz DXFXACYEEHKUEN-CQSZACIVSA-N -1 3 428.514 3.224 40 0 IGABHM Cc1c(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)CCN(C2CCCCC2)C3)cnn1C ZINC000019553342 556797181 /nfs/dbraw/zinc/79/71/81/556797181.db2.gz CFLVDXMIPGADPX-OAQYLSRUSA-N -1 3 438.576 3.282 40 0 IGABHM Cc1nn(CC(=O)N[C@@H](Cc2cc(=O)[n-]c(-c3cccnc3)n2)c2ccccc2)c(C)c1C ZINC000019556588 556799259 /nfs/dbraw/zinc/79/92/59/556799259.db2.gz AJHJYPOXKCLBBT-QFIPXVFZSA-N -1 3 442.523 3.054 40 0 IGABHM COc1ccc(Cl)cc1C(=O)N1CC[C@@H](c2nc(-c3cccnc3OC)cc(=O)[n-]2)C1 ZINC000019558973 556801047 /nfs/dbraw/zinc/80/10/47/556801047.db2.gz NLQVJKLNJXAIDP-CYBMUJFWSA-N -1 3 440.887 3.132 40 0 IGABHM COc1cccc(C(=O)N2CCC(Nc3nc(-c4ccsc4)cc(=O)[n-]3)CC2)c1OC ZINC000019567268 556807495 /nfs/dbraw/zinc/80/74/95/556807495.db2.gz BQUYJXLQBSPMOO-UHFFFAOYSA-N -1 3 440.525 3.232 40 0 IGABHM Cc1cc(C)nc([N-]c2cncc([C@@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)n2)n1 ZINC000072376285 556954476 /nfs/dbraw/zinc/95/44/76/556954476.db2.gz YENFJIHGOPDOOZ-SFHVURJKSA-N -1 3 428.493 3.292 40 0 IGABHM Cc1cc(CN2CCc3nc(N4CCC[C@H](C)C4)[n-]c(=O)c3C2)c(C)n1C[C@H]1CCCO1 ZINC000072389583 556959667 /nfs/dbraw/zinc/95/96/67/556959667.db2.gz HVBOCUMJMIUQOW-LAUBAEHRSA-N -1 3 439.604 3.162 40 0 IGABHM Cc1cc(CN2CCc3nc(C4CCN(C(=O)c5ccncc5)CC4)[n-]c(=O)c3C2)cs1 ZINC000072398968 556971269 /nfs/dbraw/zinc/97/12/69/556971269.db2.gz CZCBNSLHWAWBTC-UHFFFAOYSA-N -1 3 449.580 3.113 40 0 IGABHM COc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc(Br)c1[O-] ZINC000205778155 557178125 /nfs/dbraw/zinc/17/81/25/557178125.db2.gz XGRSLMBBOSKJSL-WUXMJOGZSA-N -1 3 430.276 3.151 40 0 IGABHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2nc(-c3cccc(Cl)c3)no2)c1 ZINC000223617351 557492495 /nfs/dbraw/zinc/49/24/95/557492495.db2.gz DOESJTIXWJHIKQ-UHFFFAOYSA-N -1 3 442.280 3.309 40 0 IGABHM O=C(Cc1ccc2c(c1)OCCCO2)N1CCC[C@@H]1c1cncc([N-]c2ncccn2)n1 ZINC000257259778 568692881 /nfs/dbraw/zinc/69/28/81/568692881.db2.gz KZXUNHNFLBYREV-GOSISDBHSA-N -1 3 432.484 3.078 40 0 IGABHM COc1ccc(CN2CCc3nc([C@H]4CCN(C(=O)C[C@@H]5C=CCC5)C4)[n-]c(=O)c3C2)cc1 ZINC000247879849 569206330 /nfs/dbraw/zinc/20/63/30/569206330.db2.gz IKQQUMCOJXYOEM-QUCCMNQESA-N -1 3 448.567 3.421 40 0 IGABHM COC(=O)c1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)cc2)cc1 ZINC000009076181 569293588 /nfs/dbraw/zinc/29/35/88/569293588.db2.gz HGEYGPHKXWJQND-FKBYEOEOSA-N -1 3 444.443 3.230 40 0 IGABHM Cc1cnc([N-]c2cncc(C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)n2)s1 ZINC000585262564 569584731 /nfs/dbraw/zinc/58/47/31/569584731.db2.gz FKLTXSNPSXNVCV-UHFFFAOYSA-N -1 3 433.534 3.693 40 0 IGABHM O=C(CCC[N-]S(=O)(=O)c1cccs1)N1CCC(c2cc3ncccc3cn2)CC1 ZINC000012224208 526445317 /nfs/dbraw/zinc/44/53/17/526445317.db2.gz NLBYYCOPJBGOPC-UHFFFAOYSA-N -1 3 444.582 3.156 40 0 IGABHM CC1CCN(C(=O)CSc2nnc(-c3cc(Br)ccc3[O-])n2C)CC1 ZINC000408541499 555801111 /nfs/dbraw/zinc/80/11/11/555801111.db2.gz CXFNEEYYKWAOBW-UHFFFAOYSA-N -1 3 425.352 3.301 40 0 IGABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC[C@H]3CCCO3)c(Cl)c2)cc1 ZINC000408591140 555951140 /nfs/dbraw/zinc/95/11/40/555951140.db2.gz JBUAZHGCNXRQQB-MRXNPFEDSA-N -1 3 438.933 3.123 40 0 IGABHM COC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408602103 555970954 /nfs/dbraw/zinc/97/09/54/555970954.db2.gz HSUHYMQRNRWQIO-DYVFJYSZSA-N -1 3 445.368 3.034 40 0 IGABHM COc1ccccc1CNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1C ZINC000408675801 556068129 /nfs/dbraw/zinc/06/81/29/556068129.db2.gz KPXGHTLIGUQPNI-UHFFFAOYSA-N -1 3 440.521 3.500 40 0 IGABHM COC(=O)c1c(C)c(C(N)=O)sc1[N-]C(=O)c1cc2c(C(F)(F)F)nn(C)c2s1 ZINC000036613105 556507244 /nfs/dbraw/zinc/50/72/44/556507244.db2.gz NIAHYWCGRIQKSS-UHFFFAOYSA-N -1 3 446.432 3.161 40 0 IGABHM COc1ccc(OC)c(C(=O)CSc2nnc(-c3ccc([N-]S(C)(=O)=O)cc3)o2)c1 ZINC000013496159 556509063 /nfs/dbraw/zinc/50/90/63/556509063.db2.gz ZPCZQKQDQWBRFK-UHFFFAOYSA-N -1 3 449.510 3.100 40 0 IGABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCc5ccccc5C4)[n-]c(=O)c32)cc1C ZINC000040390711 556637594 /nfs/dbraw/zinc/63/75/94/556637594.db2.gz GEQGSMIYECTDTF-LJQANCHMSA-N -1 3 443.507 3.014 40 0 IGABHM COc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc(C)cc2C)CC(=O)N3)cc1 ZINC000040399820 556642315 /nfs/dbraw/zinc/64/23/15/556642315.db2.gz HIVKKXYTQGWNII-INIZCTEOSA-N -1 3 433.468 3.203 40 0 IGABHM COc1ccc(C)cc1NC(=O)C1CC(=O)Nc2nc(Nc3ccc(C)cc3)[n-]c(=O)c21 ZINC000040400501 556643353 /nfs/dbraw/zinc/64/33/53/556643353.db2.gz MCWHRLVVOXJQJM-OAHLLOKOSA-N -1 3 433.468 3.203 40 0 IGABHM CC(=O)c1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccc(C)cc4)[n-]c(=O)c32)cc1 ZINC000040400409 556643418 /nfs/dbraw/zinc/64/34/18/556643418.db2.gz AGGDAYOIEVPGRY-QGZVFWFLSA-N -1 3 431.452 3.089 40 0 IGABHM CSCC[C@@H](NC(=O)c1cc(C(C)(C)C)nn1C)c1cc(=O)[n-]c(-c2cccnc2)n1 ZINC000019083795 556698249 /nfs/dbraw/zinc/69/82/49/556698249.db2.gz IMHCDQQCABAJEL-OAHLLOKOSA-N -1 3 440.573 3.499 40 0 IGABHM Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)CN(C(C)C)CC3)cc1C ZINC000019214316 556711388 /nfs/dbraw/zinc/71/13/88/556711388.db2.gz WRMFSOHPFLHOTQ-OAQYLSRUSA-N -1 3 444.601 3.069 40 0 IGABHM Cc1ccsc1CN1CCc2nc([C@H]3CCCN3C(=O)c3ccccn3)[n-]c(=O)c2C1 ZINC000019238689 556724073 /nfs/dbraw/zinc/72/40/73/556724073.db2.gz UYUBFIYIBCKXGX-LJQANCHMSA-N -1 3 435.553 3.070 40 0 IGABHM Cc1cnccc1C(=O)N1CCc2nc([C@@H]3CCCN3C3CCC(C)CC3)[n-]c(=O)c2C1 ZINC000019239483 556725089 /nfs/dbraw/zinc/72/50/89/556725089.db2.gz JWKSJSCJWBHAFU-QRFVXNFXSA-N -1 3 435.572 3.387 40 0 IGABHM O=C(c1cccs1)N1CCc2nc([C@H]3CCCN(Cc4ccsc4)C3)[n-]c(=O)c2C1 ZINC000019342789 556740670 /nfs/dbraw/zinc/74/06/70/556740670.db2.gz ZIXMTVYFDBEUMQ-INIZCTEOSA-N -1 3 440.594 3.471 40 0 IGABHM O=C(c1cccs1)N1CCc2nc([C@@H]3CCCN(Cc4cccs4)C3)[n-]c(=O)c2C1 ZINC000019343449 556741013 /nfs/dbraw/zinc/74/10/13/556741013.db2.gz BYBAZTMNGCTDQH-OAHLLOKOSA-N -1 3 440.594 3.471 40 0 IGABHM O=C(Cc1ccsc1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1ccncc1)C2 ZINC000019405379 556755244 /nfs/dbraw/zinc/75/52/44/556755244.db2.gz ZBJIDUCMINVMNG-OAQYLSRUSA-N -1 3 449.580 3.081 40 0 IGABHM CCC(=O)N1CCc2c(=O)[n-]c([C@@H]3CCCCN3C(=O)c3cc4cc(C)ccc4o3)nc2C1 ZINC000019499125 556770928 /nfs/dbraw/zinc/77/09/28/556770928.db2.gz YXRSOWVPFOBWLU-IBGZPJMESA-N -1 3 448.523 3.487 40 0 IGABHM Cc1c(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)CCN(C2CCCCC2)C3)cnn1C ZINC000019553345 556797340 /nfs/dbraw/zinc/79/73/40/556797340.db2.gz CFLVDXMIPGADPX-NRFANRHFSA-N -1 3 438.576 3.282 40 0 IGABHM COc1ccccc1CN1CCc2nc([C@H]3CCN(C(=O)C[C@H]4C=CCC4)C3)[n-]c(=O)c2C1 ZINC000019570599 556810687 /nfs/dbraw/zinc/81/06/87/556810687.db2.gz HUGXMROWVOQRKB-ICSRJNTNSA-N -1 3 448.567 3.421 40 0 IGABHM CCOc1ccccc1NC(=O)C1CC(=O)Nc2nc(N3CCCC[C@H]3CC)[n-]c(=O)c21 ZINC000040390556 556815354 /nfs/dbraw/zinc/81/53/54/556815354.db2.gz VXCIMTMSBSQYJU-CABCVRRESA-N -1 3 439.516 3.002 40 0 IGABHM Cc1nc([C@H]2CCCN2C(=O)C[C@@H]2NC(=O)c3ccccc32)[n-]c(=O)c1Cc1ccccc1 ZINC000019579210 556816672 /nfs/dbraw/zinc/81/66/72/556816672.db2.gz XXFXZPBZGNPZRK-FCHUYYIVSA-N -1 3 442.519 3.207 40 0 IGABHM O=C1C(=Cc2ccc([O-])c(I)c2)NC(=S)N1C1CCCCC1 ZINC000409090243 556951579 /nfs/dbraw/zinc/95/15/79/556951579.db2.gz LMWGQCTTWWNOSI-LCYFTJDESA-N -1 3 428.295 3.387 40 0 IGABHM CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(Cl)c1[O-] ZINC000409208903 556998062 /nfs/dbraw/zinc/99/80/62/556998062.db2.gz DXMYCYRGJBVNGN-OVCLIPMQSA-N -1 3 433.823 3.115 40 0 IGABHM Cc1noc2nc([C@H]3CCCN(C(=O)CCc4c(C)[n-][nH]c4=O)C3)cc(C(F)(F)F)c12 ZINC000100154618 557244067 /nfs/dbraw/zinc/24/40/67/557244067.db2.gz VQKKWTHWYDIZTB-QWHCGFSZSA-N -1 3 437.422 3.158 40 0 IGABHM CCCc1cc(C(=O)N2CCC[C@@H]2c2cc3nc4c(c(=O)n3[n-]2)CCN(C(C)C)C4)no1 ZINC000100234284 557252374 /nfs/dbraw/zinc/25/23/74/557252374.db2.gz ZOQTZDZXSHWJFP-HXUWFJFHSA-N -1 3 438.532 3.119 40 0 IGABHM Cc1cc(CN2CCc3c(=O)[n-]c(N4CCC[C@H](C)C4)nc3C2)c(C)n1C[C@@H]1CCCO1 ZINC000057731360 557259752 /nfs/dbraw/zinc/25/97/52/557259752.db2.gz UPPWSZJSZAHBDR-UWJYYQICSA-N -1 3 439.604 3.162 40 0 IGABHM CC(C)(C)OC(=O)N1CCC[C@H](C[N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000072203452 557340926 /nfs/dbraw/zinc/34/09/26/557340926.db2.gz KKQCRZTYPIIQEZ-LLVKDONJSA-N -1 3 439.397 3.436 40 0 IGABHM CC(C)c1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc(N4CCCC4=O)cc3)n2)cc1 ZINC000223604343 557490818 /nfs/dbraw/zinc/49/08/18/557490818.db2.gz ZBFFGCKWAJCGKM-UHFFFAOYSA-N -1 3 440.525 3.465 40 0 IGABHM COc1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc4c(c3)CCC(C)(C)O4)n2)cc1 ZINC000223775979 557511734 /nfs/dbraw/zinc/51/17/34/557511734.db2.gz SMACTNPKIQCLHU-UHFFFAOYSA-N -1 3 429.498 3.327 40 0 IGABHM CC(C)n1c2ccc(S(=O)(=O)[N-]c3ccc(N4CCN(C)CC4)cc3)cc2sc1=O ZINC000225717954 557767833 /nfs/dbraw/zinc/76/78/33/557767833.db2.gz CLDIFNFKAMGUPW-UHFFFAOYSA-N -1 3 446.598 3.197 40 0 IGABHM CC(C)Oc1ccc(NC(=O)C(C)(C)[N-]S(=O)(=O)Cc2cc(F)ccc2Cl)cn1 ZINC000225923735 557793048 /nfs/dbraw/zinc/79/30/48/557793048.db2.gz AYRDRAGBSCDREW-UHFFFAOYSA-N -1 3 443.928 3.498 40 0 IGABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCCOC(C)C)cc2)c1 ZINC000108264550 569252907 /nfs/dbraw/zinc/25/29/07/569252907.db2.gz BSJDRBCETDFLDE-UHFFFAOYSA-N -1 3 434.558 3.414 40 0 IGABHM