smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1cccc(C(C)C)c1NC(=O)C(O)=C(c1ccccc1)S(=O)(=O)Cc1ccccc1 ZINC000001636866 194130046 /nfs/dbraw/zinc/13/00/46/194130046.db2.gz WPXRMPGLQFDXTC-SANMLTNESA-N 0 1 463.599 5.236 40 0 JKABMN CCc1nnc(SCc2ccc(NC(=O)c3ccc(-c4ccc(F)c(Cl)c4)o3)cc2)[nH]1 ZINC000020611435 195185318 /nfs/dbraw/zinc/18/53/18/195185318.db2.gz DDZBDFKXWYPGCB-UHFFFAOYSA-N 0 1 456.930 5.964 40 0 JKABMN CCc1n[nH]c(SCc2ccc(NC(=O)c3ccc(-c4ccc(F)c(Cl)c4)o3)cc2)n1 ZINC000020611435 195185321 /nfs/dbraw/zinc/18/53/21/195185321.db2.gz DDZBDFKXWYPGCB-UHFFFAOYSA-N 0 1 456.930 5.964 40 0 JKABMN Cc1ccc(NC(=O)CSc2nc3ccc(Br)cc3[nH]2)cc1Br ZINC000020765332 195221072 /nfs/dbraw/zinc/22/10/72/195221072.db2.gz UKJNMLVWJZAIIZ-UHFFFAOYSA-N 0 1 455.175 5.127 40 0 JKABMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(C)cc1 ZINC000020766125 195221288 /nfs/dbraw/zinc/22/12/88/195221288.db2.gz OEABEUMBIATABQ-UHFFFAOYSA-N 0 1 470.978 5.051 40 0 JKABMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 ZINC000020767251 195222815 /nfs/dbraw/zinc/22/28/15/195222815.db2.gz QFPPKRXCFHZBNC-UHFFFAOYSA-N 0 1 491.396 5.396 40 0 JKABMN O=C(c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000059401705 195398746 /nfs/dbraw/zinc/39/87/46/195398746.db2.gz RMVBKMJTVMXLHS-UHFFFAOYSA-N 0 1 467.657 5.099 40 0 JKABMN COc1ccc([C@H]2c3c(O)n(-c4cccc(Cl)c4)c(O)c3ON2c2ccc(Cl)cc2)c(OC)c1 ZINC000102912255 130387558 /nfs/dbraw/zinc/38/75/58/130387558.db2.gz YCKZIYVRIPZFNG-XPWALMASSA-N 0 1 499.350 5.062 40 0 JKABMN CCOc1cc(CNCc2ccccc2Cl)cc(Br)c1OCc1ccccc1F ZINC000016688734 520724382 /nfs/dbraw/zinc/72/43/82/520724382.db2.gz WSSDEQUBMMPJDL-UHFFFAOYSA-N 0 1 478.789 6.509 40 0 JKABMN CCOc1cc(CNCc2ccncc2)cc(Br)c1OCc1ccccc1Cl ZINC000016688680 520726385 /nfs/dbraw/zinc/72/63/85/520726385.db2.gz XQXHPKNCQSZVAD-UHFFFAOYSA-N 0 1 461.787 5.765 40 0 JKABMN CCOc1cc(CNCc2ccncc2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000016688558 520726478 /nfs/dbraw/zinc/72/64/78/520726478.db2.gz JNIRDHPXOULRRH-UHFFFAOYSA-N 0 1 496.232 6.418 40 0 JKABMN CC[NH+](CC)Cc1ccc(NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)cc1 ZINC000022533520 520752937 /nfs/dbraw/zinc/75/29/37/520752937.db2.gz QEPLNOZFYXPJCW-UHFFFAOYSA-N 0 1 472.010 5.235 40 0 JKABMN CCSc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C)c2)c1 ZINC000020454957 521777185 /nfs/dbraw/zinc/77/71/85/521777185.db2.gz GHVNLQONPCYNPE-UHFFFAOYSA-N 0 1 461.008 5.814 40 0 JKABMN COc1cc(CNCc2ccccc2Cl)cc(Br)c1OCc1ccccc1Cl ZINC000016195786 522468244 /nfs/dbraw/zinc/46/82/44/522468244.db2.gz UHKZFEKAAPWJPC-UHFFFAOYSA-N 0 1 481.217 6.633 40 0 JKABMN CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C)c2C)c1)c1ccc(C)cc1 ZINC000020452886 522786247 /nfs/dbraw/zinc/78/62/47/522786247.db2.gz MNUWKRWFVSIBOY-JOCHJYFZSA-N 0 1 471.022 5.947 40 0 JKABMN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 ZINC000044900170 523081664 /nfs/dbraw/zinc/08/16/64/523081664.db2.gz BZKXWYIPGGVCQD-HXUWFJFHSA-N 0 1 491.038 5.057 40 0 JKABMN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCc3ccc(OC(C)C)cc3)ccc2Cl)c1 ZINC000020492670 524161858 /nfs/dbraw/zinc/16/18/58/524161858.db2.gz ZNKZXKDMYYHZMI-UHFFFAOYSA-N 0 1 487.021 5.475 40 0 JKABMN C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3)cc2)C1 ZINC000020483202 524233368 /nfs/dbraw/zinc/23/33/68/524233368.db2.gz XZSVLJLCXPCEJM-LJQANCHMSA-N 0 1 498.048 5.625 40 0 JKABMN C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3)cc2)C1 ZINC000020483202 524233377 /nfs/dbraw/zinc/23/33/77/524233377.db2.gz XZSVLJLCXPCEJM-LJQANCHMSA-N 0 1 498.048 5.625 40 0 JKABMN COc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3C)c2)cc1 ZINC000020452507 525144182 /nfs/dbraw/zinc/14/41/82/525144182.db2.gz DJWWOTSKJFQKAI-QGZVFWFLSA-N 0 1 472.994 5.257 40 0 JKABMN Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000022534760 525272527 /nfs/dbraw/zinc/27/25/27/525272527.db2.gz FOQANZIPPLUDJS-FQEVSTJZSA-N 0 1 477.630 5.280 40 0 JKABMN Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000022534760 525272537 /nfs/dbraw/zinc/27/25/37/525272537.db2.gz FOQANZIPPLUDJS-FQEVSTJZSA-N 0 1 477.630 5.280 40 0 JKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(OC(C)C)cc3)ccc2Cl)c(C)c1 ZINC000020489712 525296435 /nfs/dbraw/zinc/29/64/35/525296435.db2.gz OUTYWFJWJRUVBW-UHFFFAOYSA-N 0 1 487.021 5.475 40 0 JKABMN Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)ccc2C)cc1 ZINC000044874259 525296874 /nfs/dbraw/zinc/29/68/74/525296874.db2.gz ZTWPBTZMOWLWCH-UHFFFAOYSA-N 0 1 491.657 5.020 40 0 JKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](CC(C)C)c3ccccc3)ccc2Cl)cc1C ZINC000020456144 525297038 /nfs/dbraw/zinc/29/70/38/525297038.db2.gz POTNSEDBERTUOY-DEOSSOPVSA-N 0 1 485.049 6.275 40 0 JKABMN COc1ccc2nc(SCc3ncc(COC(=O)c4ccccc4C)c(OC)c3C)[nH]c2c1 ZINC000044136646 525680371 /nfs/dbraw/zinc/68/03/71/525680371.db2.gz LQJIZEQSBXNIDM-UHFFFAOYSA-N 0 1 463.559 5.241 40 0 in-vitro JKABMN Cc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)cc1 ZINC000044840778 525715218 /nfs/dbraw/zinc/71/52/18/525715218.db2.gz QLILZEPNOCUCOS-GOSISDBHSA-N 0 1 456.995 5.557 40 0 JKABMN Cc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)cc1 ZINC000022528165 525715798 /nfs/dbraw/zinc/71/57/98/525715798.db2.gz OIRKACYUUUWUHU-GOSISDBHSA-N 0 1 456.995 5.557 40 0 JKABMN Cc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)cc1 ZINC000020460006 525716113 /nfs/dbraw/zinc/71/61/13/525716113.db2.gz XTQBPYZUVWHIDK-GOSISDBHSA-N 0 1 456.995 5.557 40 0 JKABMN Cc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)cc1 ZINC000044840782 525909549 /nfs/dbraw/zinc/90/95/49/525909549.db2.gz QLILZEPNOCUCOS-SFHVURJKSA-N 0 1 456.995 5.557 40 0 JKABMN O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000044875239 526657252 /nfs/dbraw/zinc/65/72/52/526657252.db2.gz ISSTZINBHHUNGF-UHFFFAOYSA-N 0 1 498.048 5.057 40 0 JKABMN O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000044875245 526657873 /nfs/dbraw/zinc/65/78/73/526657873.db2.gz AGRRHJDJBKNBSW-UHFFFAOYSA-N 0 1 498.048 5.057 40 0 JKABMN Clc1ccc(COc2ccc(Br)cc2CNCc2ccccc2)c(Cl)c1 ZINC000016480105 526951087 /nfs/dbraw/zinc/95/10/87/526951087.db2.gz FHQARGTWDKPDQR-UHFFFAOYSA-N 0 1 451.191 6.625 40 0 JKABMN Cc1nc2ccccn2c(=O)c1CCN1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000000538333 553711096 /nfs/dbraw/zinc/71/10/96/553711096.db2.gz ZGUPMFYFHHSNFK-UHFFFAOYSA-N 0 1 471.551 5.422 40 0 in-man JKABMN O=C(CSc1nc(-c2cccc(Br)c2)n[nH]1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000000852494 553798832 /nfs/dbraw/zinc/79/88/32/553798832.db2.gz ZMRCHIADZDNZJB-UHFFFAOYSA-N 0 1 492.613 5.925 40 0 JKABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3nc(-c4ccc(Cl)cc4)cs3)cc2)n1 ZINC000000853364 553799143 /nfs/dbraw/zinc/79/91/43/553799143.db2.gz XNOOUIUXOXPVHG-UHFFFAOYSA-N 0 1 471.995 5.415 40 0 JKABMN CCc1cc([C@@H](c2ccc(OC)cc2)N2CCN(CC)CC2)c(NC(=O)c2ccccc2)s1 ZINC000001298685 553940705 /nfs/dbraw/zinc/94/07/05/553940705.db2.gz ZBWCFPOHSCLXSF-RUZDIDTESA-N 0 1 463.647 5.298 40 0 JKABMN CCOc1ccc([C@H](c2cc(CC)sc2NC(=O)c2ccccc2)N2CCN(CC)CC2)cc1 ZINC000001298694 553940720 /nfs/dbraw/zinc/94/07/20/553940720.db2.gz IYWWDHXCQXUWQY-AREMUKBSSA-N 0 1 477.674 5.688 40 0 JKABMN CCc1cc([C@H](c2ccc(F)cc2)N2CCN(CC)CC2)c(NC(=O)c2ccccc2)s1 ZINC000001298714 553941129 /nfs/dbraw/zinc/94/11/29/553941129.db2.gz PYAIEIOACFLPPL-DEOSSOPVSA-N 0 1 451.611 5.429 40 0 JKABMN CCc1ccc2[nH]c(=O)c(CN([C@@H](CC)c3nnnn3Cc3ccco3)C3CCCCC3)cc2c1 ZINC000001374083 553962803 /nfs/dbraw/zinc/96/28/03/553962803.db2.gz CDMJNKOPMZALGE-VWLOTQADSA-N 0 1 474.609 5.004 40 0 JKABMN CC[C@@H]1C[N@H+]2CC[C@H]1C[C@@H]2[C@H](OC(=O)c1ccc(Cl)cc1)c1ccnc2ccc(OC)cc21 ZINC000002149739 554068700 /nfs/dbraw/zinc/06/87/00/554068700.db2.gz TXVNNFDXQZFMBQ-WEUIACGGSA-N 0 1 464.993 5.915 40 0 JKABMN CCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4)[C@@]3(c3ccccc3)C2=O)cc1 ZINC000002377891 554174388 /nfs/dbraw/zinc/17/43/88/554174388.db2.gz LMVBGQWMUPPPGU-WTNLLYQRSA-N 0 1 490.559 5.458 40 0 JKABMN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4)[C@@]3(c3ccccc3)C2=O)cc1 ZINC000002377891 554174393 /nfs/dbraw/zinc/17/43/93/554174393.db2.gz LMVBGQWMUPPPGU-WTNLLYQRSA-N 0 1 490.559 5.458 40 0 JKABMN Cc1sc(NC(=O)c2ccccc2)c([C@H](c2cccc(Cl)c2)N2CCC(C)CC2)c1C ZINC000002546522 554235032 /nfs/dbraw/zinc/23/50/32/554235032.db2.gz LASXQMIOBATASN-DEOSSOPVSA-N 0 1 453.051 7.092 40 0 JKABMN Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccccc2Cl)N2CCC(C)CC2)c1C ZINC000002546508 554235055 /nfs/dbraw/zinc/23/50/55/554235055.db2.gz NUZYGFCEAUPIKH-XMMPIXPASA-N 0 1 453.051 7.092 40 0 JKABMN CC[C@@H](C)c1ccc(O[P@](=O)(C[C@@H](C)CC(C)(C)C)Oc2ccc([C@@H](C)CC)cc2)cc1 ZINC000004777473 554479802 /nfs/dbraw/zinc/47/98/02/554479802.db2.gz KGXPQRURDKBFNI-CLVICBMASA-N 0 1 458.623 9.437 40 0 JKABMN CCCCCN(CCCCC)CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@H]3CCC(C(C)C)=CC3=CC[C@H]12 ZINC000004804093 554482216 /nfs/dbraw/zinc/48/22/16/554482216.db2.gz WMBWPJZWAYTXBH-XIMCBQERSA-N 0 1 485.797 8.347 40 0 JKABMN CCCCCN(CCCCC)CC(=O)OC[C@@]1(C)CCC[C@@]2(C)[C@H]3CCC(C(C)C)=CC3=CC[C@H]12 ZINC000004804092 554482262 /nfs/dbraw/zinc/48/22/62/554482262.db2.gz WMBWPJZWAYTXBH-XPZSDMQCSA-N 0 1 485.797 8.347 40 0 JKABMN COc1ccc(NC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000006141990 554508371 /nfs/dbraw/zinc/50/83/71/554508371.db2.gz NSICIQCKDUFAIT-RRFJBIMHSA-N 0 1 483.417 5.568 40 0 JKABMN COc1ccc(NC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000006141989 554508387 /nfs/dbraw/zinc/50/83/87/554508387.db2.gz NSICIQCKDUFAIT-ZNMIVQPWSA-N 0 1 483.417 5.568 40 0 JKABMN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1F)c1cccc(Cl)c1 ZINC000008810238 554689698 /nfs/dbraw/zinc/68/96/98/554689698.db2.gz AFPFLNZOBUDEMM-UHFFFAOYSA-N 0 1 472.847 5.551 40 0 JKABMN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1F)c1cccc(Cl)c1 ZINC000008810305 554689985 /nfs/dbraw/zinc/68/99/85/554689985.db2.gz ZEXHKLCNTRKCJT-UHFFFAOYSA-N 0 1 496.947 6.325 40 0 JKABMN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1F)c1ccccc1Cl ZINC000008810397 554690212 /nfs/dbraw/zinc/69/02/12/554690212.db2.gz DHKSOMOHTRJAQT-UHFFFAOYSA-N 0 1 472.847 5.551 40 0 JKABMN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1F)c1ccccc1F ZINC000008810759 554691214 /nfs/dbraw/zinc/69/12/14/554691214.db2.gz XJCAGQQCGCZJNY-UHFFFAOYSA-N 0 1 490.837 5.690 40 0 JKABMN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1F)c1ccccc1F ZINC000008810758 554691256 /nfs/dbraw/zinc/69/12/56/554691256.db2.gz IDJYNTDANLYMOX-UHFFFAOYSA-N 0 1 480.492 5.810 40 0 JKABMN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)cc1F)c1ccc(F)cc1 ZINC000008810916 554691742 /nfs/dbraw/zinc/69/17/42/554691742.db2.gz KFQCFDVBMPIPRB-UHFFFAOYSA-N 0 1 496.560 6.169 40 0 JKABMN O=c1oc2c(cc(NS(=O)(=O)c3ccc4c5c(cccc53)C(=O)S4)c3ccccc23)s1 ZINC000008859970 554756369 /nfs/dbraw/zinc/75/63/69/554756369.db2.gz UOQAWTHOYDVHRM-UHFFFAOYSA-N 0 1 465.533 5.208 40 0 JKABMN CC(=O)[C@H]1C(=C(O)c2ccc(Cl)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=C(C)c3ccccc3N12 ZINC000009009714 554863303 /nfs/dbraw/zinc/86/33/03/554863303.db2.gz WUUTTWOYDXMEST-VZTVMPNDSA-N 0 1 482.967 5.292 40 0 JKABMN O=C(Nc1ccc(CSc2ccccc2)cc1)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000009063303 554881010 /nfs/dbraw/zinc/88/10/10/554881010.db2.gz IYBATFNVRVITTI-UHFFFAOYSA-N 0 1 451.035 6.483 40 0 JKABMN O=C(NC1CCCCC1)c1ccccc1NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000009063410 554881034 /nfs/dbraw/zinc/88/10/34/554881034.db2.gz OZVSVZNSCWWOOG-UHFFFAOYSA-N 0 1 454.014 5.253 40 0 JKABMN O=C(NCCSCc1c(F)cccc1Cl)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000009063311 554881097 /nfs/dbraw/zinc/88/10/97/554881097.db2.gz RRYQZADYLOYUSJ-UHFFFAOYSA-N 0 1 455.426 5.394 40 0 JKABMN CC(=O)[C@H]1C(=C(O)c2ccc(Cl)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(F)ccc3N12 ZINC000009109443 554897709 /nfs/dbraw/zinc/89/77/09/554897709.db2.gz JGBAEQZSGKAWOY-YKKMPQLRSA-N 0 1 486.930 5.041 40 0 JKABMN CC1=C[C@@H]2N(c3ccccc31)[C@@H](C(=O)C(C)(C)C)[C@@H](C(=O)c1ccccc1)[C@]21C(=O)Nc2ccccc21 ZINC000009111304 554898777 /nfs/dbraw/zinc/89/87/77/554898777.db2.gz XWVYRVUODLHGCT-QAZWXMQQSA-N 0 1 490.603 5.665 40 0 JKABMN Cc1ccc([C@H](O)[P@@](=O)(O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)O[C@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1 ZINC000009374618 555135962 /nfs/dbraw/zinc/13/59/62/555135962.db2.gz CXJVPNVSOOKWQM-ZTCVQNRYSA-N 0 1 478.654 8.134 40 0 JKABMN COc1ccc([C@H]2N(c3ccccc3)O[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@]23c2ccccc2)cc1 ZINC000009411300 555178447 /nfs/dbraw/zinc/17/84/47/555178447.db2.gz DYWADYLSDWXVEG-YCVRVPNXSA-N 0 1 476.532 5.068 40 0 JKABMN COc1ccc([C@H]2N(c3ccccc3)OC3C(=O)N(c4ccccc4)C(=O)[C@@]32c2ccccc2)cc1 ZINC000009411300 555178450 /nfs/dbraw/zinc/17/84/50/555178450.db2.gz DYWADYLSDWXVEG-YCVRVPNXSA-N 0 1 476.532 5.068 40 0 JKABMN COc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4)[C@@]3(c3ccccc3)C2=O)cc1 ZINC000009427334 555192066 /nfs/dbraw/zinc/19/20/66/555192066.db2.gz PAOUSIQTYVKBIL-PVTPYKNESA-N 0 1 476.532 5.068 40 0 JKABMN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4)[C@@]3(c3ccccc3)C2=O)cc1 ZINC000009427334 555192069 /nfs/dbraw/zinc/19/20/69/555192069.db2.gz PAOUSIQTYVKBIL-PVTPYKNESA-N 0 1 476.532 5.068 40 0 JKABMN Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3cc4ccccc4nc3Cl)[C@@H]2C1=O ZINC000009455453 555225664 /nfs/dbraw/zinc/22/56/64/555225664.db2.gz MCHXRCKPXYDWTL-VXNXHJTFSA-N 0 1 469.928 5.248 40 0 JKABMN O=C(c1ccc(F)cc1)c1ccc(-c2nc(-c3ccccc3O)[nH]c2-c2ccc(F)cc2)cc1 ZINC000013382030 555393592 /nfs/dbraw/zinc/39/35/92/555393592.db2.gz CGTBZYCTLWCVAK-UHFFFAOYSA-N 0 1 452.460 6.626 40 0 JKABMN Cc1ccc2cc(CN([C@H](c3nnnn3C3CCCCC3)C(C)C)C3CCCC3)c(=O)[nH]c2c1 ZINC000013498527 555421500 /nfs/dbraw/zinc/42/15/00/555421500.db2.gz OUJUMELNPLSWRN-VWLOTQADSA-N 0 1 462.642 5.470 40 0 JKABMN Cc1ccc2cc(CN([C@@H](c3nnnn3C3CCCC3)C(C)C)C3CCCCC3)c(=O)[nH]c2c1 ZINC000013498512 555421602 /nfs/dbraw/zinc/42/16/02/555421602.db2.gz XAEKGHGULIUWNT-RUZDIDTESA-N 0 1 462.642 5.470 40 0 JKABMN 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/nfs/dbraw/zinc/62/05/59/555620559.db2.gz JRQHOTHYVCZRJR-UHFFFAOYSA-N 0 1 456.995 5.120 40 0 JKABMN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)ccc2Cl)c1 ZINC000010112013 555624146 /nfs/dbraw/zinc/62/41/46/555624146.db2.gz LVTXFWYUDANESK-IBGZPJMESA-N 0 1 499.076 6.546 40 0 JKABMN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(C(C)(C)C)cc3)ccc2Cl)c1 ZINC000010112014 555624177 /nfs/dbraw/zinc/62/41/77/555624177.db2.gz LVTXFWYUDANESK-LJQANCHMSA-N 0 1 499.076 6.546 40 0 JKABMN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N3CCCc4ccccc43)ccc2Cl)c1 ZINC000010112444 555625672 /nfs/dbraw/zinc/62/56/72/555625672.db2.gz QZZHPYUVPQGEHP-UHFFFAOYSA-N 0 1 454.979 5.351 40 0 JKABMN CCOC(=O)c1cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)ccc1Cl ZINC000020104560 555637114 /nfs/dbraw/zinc/63/71/14/555637114.db2.gz NKLNKUYLMAZZIO-UHFFFAOYSA-N 0 1 493.368 5.223 40 0 JKABMN Cc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)c(C)c1 ZINC000020105846 555639622 /nfs/dbraw/zinc/63/96/22/555639622.db2.gz 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CCc1cccc(CC)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C)c1 ZINC000014153931 555710653 /nfs/dbraw/zinc/71/06/53/555710653.db2.gz SVBDFKUDOPOWCW-UHFFFAOYSA-N 0 1 456.995 5.826 40 0 JKABMN CCc1cccc(C)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c1 ZINC000014154068 555710932 /nfs/dbraw/zinc/71/09/32/555710932.db2.gz OYSSNYVEDYQYTR-UHFFFAOYSA-N 0 1 456.995 5.881 40 0 JKABMN Cc1ccc(CSCCNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3)c2)cc1 ZINC000014154621 555711853 /nfs/dbraw/zinc/71/18/53/555711853.db2.gz NWPYGRICKCAMIR-UHFFFAOYSA-N 0 1 489.062 5.421 40 0 JKABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3-c3ccccc3)ccc2Cl)c1C ZINC000014154904 555712520 /nfs/dbraw/zinc/71/25/20/555712520.db2.gz GENCAHTULLFPQX-UHFFFAOYSA-N 0 1 491.012 6.677 40 0 JKABMN COc1ccc(Cl)cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(C)ccc2C)c1 ZINC000014154935 555712855 /nfs/dbraw/zinc/71/28/55/555712855.db2.gz DVABIVYSAFFNOX-UHFFFAOYSA-N 0 1 479.385 5.672 40 0 JKABMN CSc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)c1 ZINC000014155127 555713188 /nfs/dbraw/zinc/71/31/88/555713188.db2.gz OBKRUYORGLBDCR-UHFFFAOYSA-N 0 1 461.008 5.732 40 0 JKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Br)c(C)c3)ccc2Cl)cc1 ZINC000014155264 555713379 /nfs/dbraw/zinc/71/33/79/555713379.db2.gz FYVDFNSDEVIBTR-UHFFFAOYSA-N 0 1 493.810 5.772 40 0 JKABMN O=C(c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1)N1CCC(Cc2ccccc2)CC1 ZINC000014155513 555714082 /nfs/dbraw/zinc/71/40/82/555714082.db2.gz ASMJHBOHRULLQH-UHFFFAOYSA-N 0 1 469.006 5.236 40 0 JKABMN CCCCc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3C)c2)cc1 ZINC000014155786 555714254 /nfs/dbraw/zinc/71/42/54/555714254.db2.gz KQFIGOWMXYHWDF-UHFFFAOYSA-N 0 1 471.022 6.353 40 0 JKABMN COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3)c2)c1 ZINC000014155715 555714347 /nfs/dbraw/zinc/71/43/47/555714347.db2.gz GSKHEVZHQAKLKM-UHFFFAOYSA-N 0 1 493.368 5.142 40 0 JKABMN O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 ZINC000020241754 555737234 /nfs/dbraw/zinc/73/72/34/555737234.db2.gz KFIKFAKVYRBQNM-UHFFFAOYSA-N 0 1 463.581 6.053 40 0 JKABMN O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 ZINC000020241816 555737654 /nfs/dbraw/zinc/73/76/54/555737654.db2.gz BLUBORPJEITTEF-UHFFFAOYSA-N 0 1 477.608 6.049 40 0 JKABMN O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1O)c1sc2cc(Cl)ccc2c1Cl ZINC000014270359 555762195 /nfs/dbraw/zinc/76/21/95/555762195.db2.gz RGJQNQIDLKDUJP-UHFFFAOYSA-N 0 1 466.198 6.347 40 0 JKABMN O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1O)c1cccc2c(Br)cccc12 ZINC000014270348 555762240 /nfs/dbraw/zinc/76/22/40/555762240.db2.gz BYEXNJYIZABMRU-UHFFFAOYSA-N 0 1 470.175 5.742 40 0 JKABMN Cc1nc(-c2ccccc2)cc([C@H]2C[N@H+]3CC[C@H]2C[C@@H]3CN(Cc2ccco2)Cc2ccco2)n1 ZINC000020462759 555791449 /nfs/dbraw/zinc/79/14/49/555791449.db2.gz JAVOAZRHNGRFDI-XFAFFCHDSA-N 0 1 468.601 5.518 40 0 biogenic,in-vitro JKABMN Cc1nc(-c2ccccc2)cc([C@H]2CN3CC[C@H]2C[C@@H]3CN(Cc2ccco2)Cc2ccco2)n1 ZINC000020462759 555791453 /nfs/dbraw/zinc/79/14/53/555791453.db2.gz JAVOAZRHNGRFDI-XFAFFCHDSA-N 0 1 468.601 5.518 40 0 biogenic,in-vitro JKABMN CCN(CC)c1ccc(NC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)cc1S(=O)(=O)Nc1ccccc1OC ZINC000014356482 555796053 /nfs/dbraw/zinc/79/60/53/555796053.db2.gz MJQAJGZBMKPXHA-ZCNNSNEGSA-N 0 1 485.650 5.107 40 0 JKABMN CCOC(=O)c1c2cc([O-])c(Br)cc2n(C2CCCCC2)c1C[NH+](CC)CC ZINC000014943897 555841520 /nfs/dbraw/zinc/84/15/20/555841520.db2.gz JKIKSRFGKSSCPM-UHFFFAOYSA-N 0 1 451.405 5.633 40 0 JKABMN CCCCc1ccc(N=C2C[C@H](c3ccc(Cl)cc3)N(c3ccc(CCCC)cc3)C2=O)cc1 ZINC000015304741 555894741 /nfs/dbraw/zinc/89/47/41/555894741.db2.gz OCCSBXJLHLLLHX-GDLZYMKVSA-N 0 1 473.060 8.109 40 0 JKABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccccc3C(C)C)cc2)c1 ZINC000022532829 555932710 /nfs/dbraw/zinc/93/27/10/555932710.db2.gz NXRGCACAHHBCTC-SFHVURJKSA-N 0 1 498.601 5.034 40 0 JKABMN Cc1nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)[nH]c(=O)c1Cc1ccc(C(C)C)cc1 ZINC000022751107 555952445 /nfs/dbraw/zinc/95/24/45/555952445.db2.gz RPTUVNAPRMODQQ-UHFFFAOYSA-N 0 1 492.667 5.704 40 0 JKABMN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccccc3N3CCN(C)CC3)o2)cc1Cl ZINC000022754427 555953397 /nfs/dbraw/zinc/95/33/97/555953397.db2.gz FUFLCMIPUNAYKW-ZRDIBKRKSA-N 0 1 495.048 5.187 40 0 JKABMN Cc1ccc([C@H](c2nnnn2C(C)(C)C)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000022928699 555979685 /nfs/dbraw/zinc/97/96/85/555979685.db2.gz BBDMMYPGFUHCEP-MUUNZHRXSA-N 0 1 480.660 5.233 40 0 JKABMN Cc1ccc([C@@H](c2nnnn2C(C)(C)C)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000022928702 555979851 /nfs/dbraw/zinc/97/98/51/555979851.db2.gz BBDMMYPGFUHCEP-NDEPHWFRSA-N 0 1 480.660 5.233 40 0 JKABMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)Nc2ccccc2F)ccc1N1CCCCC1 ZINC000012497118 555990511 /nfs/dbraw/zinc/99/05/11/555990511.db2.gz ZQKDXYUORPJMHW-UHFFFAOYSA-N 0 1 498.580 5.269 40 0 JKABMN CCN1CCN([C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)c2ccccc2Cl)CC1 ZINC000023292205 556038270 /nfs/dbraw/zinc/03/82/70/556038270.db2.gz XREUTNJPJDDAMN-DEOSSOPVSA-N 0 1 468.066 5.998 40 0 JKABMN CCOc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)N2CCN(CC)CC2)cc1 ZINC000023292168 556038339 /nfs/dbraw/zinc/03/83/39/556038339.db2.gz CLSQDBSQSPLLCD-AREMUKBSSA-N 0 1 477.674 5.743 40 0 JKABMN O=C(CN1CCC(n2c3ccccc3nc2C(F)(F)F)CC1)N(C1CCCCC1)C1CCCCC1 ZINC000012640227 556096140 /nfs/dbraw/zinc/09/61/40/556096140.db2.gz PFQQPCODSWIPBL-UHFFFAOYSA-N 0 1 490.614 6.186 40 0 JKABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3Br)ccc2Cl)c1 ZINC000016349752 556136313 /nfs/dbraw/zinc/13/63/13/556136313.db2.gz WXAKROOPYVXSDQ-UHFFFAOYSA-N 0 1 479.783 5.464 40 0 JKABMN CCOC(=O)C1=C(C)N(c2c(C)cccc2C)[P@@H](=O)N(c2cccc3ccccc32)C1=S ZINC000016682310 556151159 /nfs/dbraw/zinc/15/11/59/556151159.db2.gz CPFAQYKIKSZQKC-UHFFFAOYSA-N 0 1 464.527 6.337 40 0 JKABMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1cccc(-c2cn3cccc(C)c3n2)c1 ZINC000016780411 556159519 /nfs/dbraw/zinc/15/95/19/556159519.db2.gz VBECVFTYJYHRHJ-UHFFFAOYSA-N 0 1 486.391 5.272 40 0 JKABMN CSc1ccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)cc1C(=O)N1CCCCC1 ZINC000026116569 556246368 /nfs/dbraw/zinc/24/63/68/556246368.db2.gz NDJLOHZWYXRHKU-UHFFFAOYSA-N 0 1 498.695 5.987 40 0 JKABMN CCc1ccc2[nH]c(=O)c(CN([C@@H](CC)c3nnnn3C3CCCCC3)C3CCCCC3)cc2c1 ZINC000013063663 556260843 /nfs/dbraw/zinc/26/08/43/556260843.db2.gz HYVTVCFYYJFWRV-SANMLTNESA-N 0 1 476.669 5.868 40 0 JKABMN CC[C@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013063941 556261162 /nfs/dbraw/zinc/26/11/62/556261162.db2.gz GNRDNNGCLWBTJR-AREMUKBSSA-N 0 1 488.611 5.296 40 0 JKABMN CC[C@@H](c1nnnn1Cc1ccccc1)N(Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013063872 556261229 /nfs/dbraw/zinc/26/12/29/556261229.db2.gz QJBDVWYZOSMPAY-SANMLTNESA-N 0 1 470.621 5.157 40 0 JKABMN CC[C@H](c1nnnn1C1CCCCC1)N(Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCCC1 ZINC000013064267 556261884 /nfs/dbraw/zinc/26/18/84/556261884.db2.gz FJYRZPNMYSIZMX-RUZDIDTESA-N 0 1 478.641 5.314 40 0 JKABMN Cc1ccc(OC[C@@H](O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C(C)(C)C)c1 ZINC000026781421 556262542 /nfs/dbraw/zinc/26/25/42/556262542.db2.gz PJRZOOCZBHCZAT-MHZLTWQESA-N 0 1 472.673 5.439 40 0 JKABMN Cc1cc(NC(=O)c2ccc(Br)cc2)c(C)c(S(=O)(=O)c2ccc(Cl)cc2)c1O ZINC000026786920 556263409 /nfs/dbraw/zinc/26/34/09/556263409.db2.gz QLTPZFCKQMAYGN-UHFFFAOYSA-N 0 1 494.794 5.510 40 0 JKABMN CCCCOc1ccc([C@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000017750553 556265868 /nfs/dbraw/zinc/26/58/68/556265868.db2.gz RHKJBKFWHYYCKC-PVHODMMVSA-N 0 1 486.568 5.315 40 0 JKABMN CCCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1OCC ZINC000017750553 556265872 /nfs/dbraw/zinc/26/58/72/556265872.db2.gz RHKJBKFWHYYCKC-PVHODMMVSA-N 0 1 486.568 5.315 40 0 JKABMN CC(C)(C)c1ccc([C@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000017952678 556272642 /nfs/dbraw/zinc/27/26/42/556272642.db2.gz KGTCDSBYSHPIRU-HJOGWXRNSA-N 0 1 460.961 5.689 40 0 JKABMN CC(C)(C)c1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000017952678 556272643 /nfs/dbraw/zinc/27/26/43/556272643.db2.gz KGTCDSBYSHPIRU-HJOGWXRNSA-N 0 1 460.961 5.689 40 0 JKABMN Cc1[nH]c2ccccc2c1[C@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]2ON1c1ccccc1 ZINC000017970547 556273846 /nfs/dbraw/zinc/27/38/46/556273846.db2.gz XIHVMRAZUQUDDW-SDHOMARFSA-N 0 1 471.944 5.489 40 0 JKABMN O=[P@@](O[C@H](c1ccccc1)C(F)(F)F)(O[C@@H](c1ccccc1)C(F)(F)F)c1ccccc1 ZINC000018127902 556291832 /nfs/dbraw/zinc/29/18/32/556291832.db2.gz KOHHXEABFXHNTG-CPLHUZOFSA-N 0 1 474.337 7.145 40 0 JKABMN CSc1ccc([C@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000018141421 556293102 /nfs/dbraw/zinc/29/31/02/556293102.db2.gz BTIOOIGGHNJAGI-FSSWDIPSSA-N 0 1 450.947 5.113 40 0 JKABMN O=C(c1ccccc1)N1CCc2cc(S(=O)(=O)Nc3ccccc3Oc3ccccc3)ccc21 ZINC000028206689 556317326 /nfs/dbraw/zinc/31/73/26/556317326.db2.gz KAYFXZQEPRUMGH-UHFFFAOYSA-N 0 1 470.550 5.483 40 0 JKABMN C[C@@H]1Cc2cc(S(=O)(=O)Nc3ccccc3Oc3ccccc3)ccc2N1C(=O)c1ccccc1 ZINC000028207132 556317972 /nfs/dbraw/zinc/31/79/72/556317972.db2.gz JJDHBCXFQLRRTK-HXUWFJFHSA-N 0 1 484.577 5.871 40 0 JKABMN CC(C)COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccco3)N3CCCCCC3)no2)cc1 ZINC000028296161 556330504 /nfs/dbraw/zinc/33/05/04/556330504.db2.gz DIRKZXGSTQJDFP-QHCPKHFHSA-N 0 1 451.567 5.317 40 0 JKABMN CC(C)COc1ccc(-c2cc(C(=O)NC[C@H](c3ccco3)N3CCCCCC3)no2)cc1 ZINC000028296159 556330601 /nfs/dbraw/zinc/33/06/01/556330601.db2.gz DIRKZXGSTQJDFP-HSZRJFAPSA-N 0 1 451.567 5.317 40 0 JKABMN O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)N1c2ccccc2Sc2ccccc21 ZINC000028831423 556342116 /nfs/dbraw/zinc/34/21/16/556342116.db2.gz OZXNTHYJDYHWKP-UHFFFAOYSA-N 0 1 450.976 6.047 40 0 JKABMN CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)ccc2OC)cc1 ZINC000030750989 556370916 /nfs/dbraw/zinc/37/09/16/556370916.db2.gz HQYXDPVURCUYTE-QHCPKHFHSA-N 0 1 482.602 5.217 40 0 JKABMN CC(C)C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1)c1ccccc1 ZINC000030755905 556373203 /nfs/dbraw/zinc/37/32/03/556373203.db2.gz XCPQKFYTXNIIGT-JOCHJYFZSA-N 0 1 456.995 5.658 40 0 JKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(C)cc3C)ccc2Cl)cc1 ZINC000030848532 556376418 /nfs/dbraw/zinc/37/64/18/556376418.db2.gz XHCROINNXJNBFB-SFHVURJKSA-N 0 1 456.995 5.557 40 0 JKABMN COc1ccccc1CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C)c2C)c1 ZINC000030869777 556384748 /nfs/dbraw/zinc/38/47/48/556384748.db2.gz RYUNXZPJAGSFAC-UHFFFAOYSA-N 0 1 472.994 5.038 40 0 JKABMN Cc1ccccc1OCC(=O)Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1 ZINC000032116415 556423262 /nfs/dbraw/zinc/42/32/62/556423262.db2.gz RRZWQLWKQGVMTL-UHFFFAOYSA-N 0 1 453.292 5.289 40 0 JKABMN CC(C)c1ccc(/C=C/C(=O)Nc2ccc3oc(-c4ccc(O)c(Br)c4)nc3c2)cc1 ZINC000032116448 556423607 /nfs/dbraw/zinc/42/36/07/556423607.db2.gz INAYIKVWHOHWLX-LFYBBSHMSA-N 0 1 477.358 6.738 40 0 JKABMN CCCCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(O)c(Br)c4)nc3c2)cc1 ZINC000032116460 556423678 /nfs/dbraw/zinc/42/36/78/556423678.db2.gz HOODQBZGYVOJSG-UHFFFAOYSA-N 0 1 481.346 6.394 40 0 JKABMN CC[C@@H](C)Oc1cccc(C(=O)Nc2ccc3oc(-c4ccc(O)c(Br)c4)nc3c2)c1 ZINC000032116480 556423804 /nfs/dbraw/zinc/42/38/04/556423804.db2.gz MFXLYWISXSJVHF-CQSZACIVSA-N 0 1 481.346 6.393 40 0 JKABMN Cc1cccc(OCC(=O)Nc2ccc3oc(-c4ccc(O)c(Br)c4)nc3c2)c1 ZINC000032116506 556423952 /nfs/dbraw/zinc/42/39/52/556423952.db2.gz QWNYVUYPMKAGPO-UHFFFAOYSA-N 0 1 453.292 5.289 40 0 JKABMN CCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(O)c(Br)c4)nc3c2)cc1 ZINC000032116618 556424452 /nfs/dbraw/zinc/42/44/52/556424452.db2.gz MACLVXJKKHIFAO-UHFFFAOYSA-N 0 1 453.292 5.614 40 0 JKABMN O=C(Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1)c1ccccc1Br ZINC000032116598 556424530 /nfs/dbraw/zinc/42/45/30/556424530.db2.gz GFOFQGJCUJVLJG-UHFFFAOYSA-N 0 1 488.135 5.978 40 0 JKABMN CC[C@@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2C[C@@H]1Cc1nccc2cc(OC)c(OC)cc21 ZINC000257480494 560041771 /nfs/dbraw/zinc/04/17/71/560041771.db2.gz MBYXEBXZARTUSS-DHTSOJEISA-N 0 1 476.617 5.457 40 0 biogenic,in-vitro JKABMN COc1ccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)NC4CCCCC4)C=C3C)[nH]c2c1 ZINC000225399037 560043697 /nfs/dbraw/zinc/04/36/97/560043697.db2.gz LYUIADVJFIWJCD-JTAQYXEDSA-N 0 1 452.643 5.601 40 0 biogenic,in-vitro JKABMN Cc1nc(-c2cccs2)cc([C@H]2C[N@H+]3CC[C@H]2C[C@@H]3CN(Cc2ccco2)Cc2ccco2)n1 ZINC000020462762 560093154 /nfs/dbraw/zinc/09/31/54/560093154.db2.gz RMJGTEHJBRIQSC-IMSXRSKXSA-N 0 1 474.630 5.580 40 0 biogenic,in-vitro JKABMN Cc1nc(-c2cccs2)cc([C@H]2CN3CC[C@H]2C[C@@H]3CN(Cc2ccco2)Cc2ccco2)n1 ZINC000020462762 560093155 /nfs/dbraw/zinc/09/31/55/560093155.db2.gz RMJGTEHJBRIQSC-IMSXRSKXSA-N 0 1 474.630 5.580 40 0 biogenic,in-vitro JKABMN Cn1nc(-c2ccc3ccccc3c2)cc1[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2COC(=O)Nc1ccccc1 ZINC000012602733 569602272 /nfs/dbraw/zinc/60/22/72/569602272.db2.gz SOAHKNOGOATAHL-DFCKQENNSA-N 0 1 466.585 5.667 40 0 biogenic,in-vitro JKABMN c1ccc(CN2CCCN(Cc3ccccc3)C2c2c3ccccc3[nH]c2-c2ccccc2)cc1 ZINC000059488025 569605336 /nfs/dbraw/zinc/60/53/36/569605336.db2.gz LPCWIGHFHOMOEW-UHFFFAOYSA-N 0 1 457.621 7.242 40 0 JKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Br)cc3)ccc2Cl)c(C)c1 ZINC000033468308 569626617 /nfs/dbraw/zinc/62/66/17/569626617.db2.gz OHXYYYMTZQTPHB-UHFFFAOYSA-N 0 1 493.810 5.772 40 0 JKABMN CCc1ccc(N2C(=O)C(=Cc3ccccc3OCc3ccc(C)cc3)C(=O)NC2=S)cc1 ZINC000033573057 569628125 /nfs/dbraw/zinc/62/81/25/569628125.db2.gz MLKKZWODKCIJJM-XQNSMLJCSA-N 0 1 456.567 5.808 40 0 JKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2Cl)cc1 ZINC000033573031 569628198 /nfs/dbraw/zinc/62/81/98/569628198.db2.gz DZRIFKAMQOBADM-UHFFFAOYSA-N 0 1 468.884 5.720 40 0 JKABMN CCc1ccc(N2C(=O)C(=Cc3ccc(O[C@H](C)CC)c(Br)c3)C(=O)NC2=S)cc1 ZINC000033627881 569629101 /nfs/dbraw/zinc/62/91/01/569629101.db2.gz PWGPUIJRGUMAQQ-CRRKTRLDSA-N 0 1 487.419 5.860 40 0 JKABMN COc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000033627980 569629123 /nfs/dbraw/zinc/62/91/23/569629123.db2.gz MTDPDOGPNFICOI-GIJQJNRQSA-N 0 1 484.867 5.162 40 0 JKABMN CCCCCCOc1ccc(C=C2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1OCC ZINC000033642954 569629440 /nfs/dbraw/zinc/62/94/40/569629440.db2.gz DIHVIEIUCQGDME-SILNSSARSA-N 0 1 452.576 5.716 40 0 JKABMN CCc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc5ccccc5c4)c3C)C(=O)NC2=S)cc1 ZINC000033680541 569630670 /nfs/dbraw/zinc/63/06/70/569630670.db2.gz XKGMROFJDPPYDC-YZSQISJMSA-N 0 1 479.605 6.481 40 0 JKABMN CCc1ccc(N2C(=O)C(=Cc3ccc(OCc4ccccc4C#N)c(OC)c3)C(=O)NC2=S)cc1 ZINC000033694100 569630935 /nfs/dbraw/zinc/63/09/35/569630935.db2.gz CRGJZXSKSAEWGG-OEAKJJBVSA-N 0 1 497.576 5.380 40 0 JKABMN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C(C)C)cc3)ccc2Cl)c1 ZINC000033706107 569631156 /nfs/dbraw/zinc/63/11/56/569631156.db2.gz BOAQOHSYLDHPJK-UHFFFAOYSA-N 0 1 456.995 6.133 40 0 JKABMN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1Cl ZINC000033720510 569631833 /nfs/dbraw/zinc/63/18/33/569631833.db2.gz XEYSGSPZIHLWKR-UHFFFAOYSA-N 0 1 492.984 6.494 40 0 JKABMN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc21 ZINC000033746648 569633456 /nfs/dbraw/zinc/63/34/56/569633456.db2.gz OZYYMZTWVHDCCD-OEAKJJBVSA-N 0 1 497.463 5.422 40 0 JKABMN CCc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(OC)cc4)c3C)C(=O)NC2=S)cc1 ZINC000033750907 569633524 /nfs/dbraw/zinc/63/35/24/569633524.db2.gz YJCFPYWUKBXHIE-HZHRSRAPSA-N 0 1 459.571 5.337 40 0 JKABMN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1cc(Br)ccc1OCc1ccccc1 ZINC000033779493 569634560 /nfs/dbraw/zinc/63/45/60/569634560.db2.gz LOVZIIQFNCRAJC-XDHOZWIPSA-N 0 1 481.302 5.123 40 0 JKABMN COc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000033850944 569636321 /nfs/dbraw/zinc/63/63/21/569636321.db2.gz PFSWQCBMXDLQDL-OEAKJJBVSA-N 0 1 482.492 5.523 40 0 JKABMN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(Br)cc2)ccc1Cl ZINC000033859500 569636396 /nfs/dbraw/zinc/63/63/96/569636396.db2.gz SBLBYDWDGVXPSZ-UHFFFAOYSA-N 0 1 479.783 5.464 40 0 JKABMN COc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4)[C@]3(c3ccccc3)C2=O)c1 ZINC000033897906 569637241 /nfs/dbraw/zinc/63/72/41/569637241.db2.gz SOTFIHHJHUBBKJ-DURBRWELSA-N 0 1 476.532 5.068 40 0 JKABMN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4)[C@]3(c3ccccc3)C2=O)c1 ZINC000033897906 569637242 /nfs/dbraw/zinc/63/72/42/569637242.db2.gz SOTFIHHJHUBBKJ-DURBRWELSA-N 0 1 476.532 5.068 40 0 JKABMN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccccc2Br)ccc1Cl ZINC000034718360 569652189 /nfs/dbraw/zinc/65/21/89/569652189.db2.gz ATLHYMCCJWUAGM-UHFFFAOYSA-N 0 1 479.783 5.464 40 0 JKABMN CCc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4cc(Cl)ccc4Cl)c3C)C(=O)NC2=S)cc1 ZINC000034765532 569658488 /nfs/dbraw/zinc/65/84/88/569658488.db2.gz QYWRTQILYBJYMC-UDWIEESQSA-N 0 1 498.435 6.635 40 0 JKABMN CCc1ccc(N2C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4)cc3)C(=O)NC2=S)cc1 ZINC000034807681 569661395 /nfs/dbraw/zinc/66/13/95/569661395.db2.gz VNQKSIFOZIBLMF-HZHRSRAPSA-N 0 1 476.985 6.153 40 0 JKABMN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000035031509 569673846 /nfs/dbraw/zinc/67/38/46/569673846.db2.gz MYBALPAZTSJIAM-DAUHHZGYSA-N 0 1 464.694 5.232 40 0 JKABMN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCCSCc3ccccc3)ccc2Cl)c1 ZINC000035107048 569675027 /nfs/dbraw/zinc/67/50/27/569675027.db2.gz FBIMSOSMMNRNGP-UHFFFAOYSA-N 0 1 489.062 5.421 40 0 JKABMN COc1ccc([C@H]2N(c3ccccc3)O[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@]23c2ccccc2)cc1 ZINC000035199383 569678167 /nfs/dbraw/zinc/67/81/67/569678167.db2.gz DYWADYLSDWXVEG-ZKKGZRQESA-N 0 1 476.532 5.068 40 0 JKABMN COc1ccc([C@H]2N(c3ccccc3)OC3C(=O)N(c4ccccc4)C(=O)[C@]32c2ccccc2)cc1 ZINC000035199383 569678168 /nfs/dbraw/zinc/67/81/68/569678168.db2.gz DYWADYLSDWXVEG-ZKKGZRQESA-N 0 1 476.532 5.068 40 0 JKABMN CCc1nc(C)cc(NCC(=O)[C@@H]2CC[C@@H]3[C@H]4CCC5=CC(=O)CC[C@@]5(C)[C@@H]4CC[C@]23C)c1O ZINC000035396480 569687407 /nfs/dbraw/zinc/68/74/07/569687407.db2.gz QMKTXPISAYWCEZ-JLOHDESPSA-N 0 1 464.650 5.209 40 0 JKABMN CCc1ccc([C@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000095483654 569725179 /nfs/dbraw/zinc/72/51/79/569725179.db2.gz ILOGOOOAUQKWMJ-VJBWXMMDSA-N 0 1 477.358 5.063 40 0 JKABMN CCc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000095483654 569725180 /nfs/dbraw/zinc/72/51/80/569725180.db2.gz ILOGOOOAUQKWMJ-VJBWXMMDSA-N 0 1 477.358 5.063 40 0 JKABMN CC12C(=O)C([C@H](c3ccccc3)N[C@@H]1c1ccccc1)[C@@H](c1ccccc1)N[C@H]2c1ccccc1 ZINC000096182613 569737031 /nfs/dbraw/zinc/73/70/31/569737031.db2.gz CRZYYNZUSNTEQP-NKHJYQNDSA-N 0 1 458.605 6.350 40 0 JKABMN CCCCOc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OC ZINC000096791735 569743058 /nfs/dbraw/zinc/74/30/58/569743058.db2.gz MHVHYYNMBVRZLE-QKDODKLFSA-N 0 1 486.568 5.234 40 0 JKABMN CCOc1ccc([C@H](CNC(=O)c2cc(-c3ccc(Br)cc3)on2)N2CCCC2)cc1 ZINC000036631343 569779363 /nfs/dbraw/zinc/77/93/63/569779363.db2.gz GVSMFEKRMJFHPJ-QFIPXVFZSA-N 0 1 484.394 5.070 40 0 JKABMN Cc1ccccc1N1C(=O)[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2cc3ccccc3nc2Cl)C1=O ZINC000101039372 569780281 /nfs/dbraw/zinc/78/02/81/569780281.db2.gz MCHXRCKPXYDWTL-SMIHKQSGSA-N 0 1 469.928 5.248 40 0 JKABMN COc1ccc(OC)c([C@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)c1 ZINC000101037959 569780349 /nfs/dbraw/zinc/78/03/49/569780349.db2.gz XQOMMHZCPXMMNP-VABKMULXSA-N 0 1 499.350 5.062 40 0 JKABMN CCCOc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3cn(C)c4ccccc34)C2=O)cc1 ZINC000101054462 569780553 /nfs/dbraw/zinc/78/05/53/569780553.db2.gz DEHFZJUHONNBRJ-PFBJBMPXSA-N 0 1 481.552 5.018 40 0 JKABMN O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000037021514 569781181 /nfs/dbraw/zinc/78/11/81/569781181.db2.gz CQDBNSQPANSUED-UHFFFAOYSA-N 0 1 484.021 5.379 40 0 JKABMN COc1ccc([C@H]2c3c(O)n(-c4cccc(Cl)c4)c(O)c3ON2c2ccc(Cl)cc2)c(OC)c1 ZINC000101126008 569783747 /nfs/dbraw/zinc/78/37/47/569783747.db2.gz YCKZIYVRIPZFNG-VJBWXMMDSA-N 0 1 499.350 5.062 40 0 JKABMN CCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(CC)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OC ZINC000101180618 569786269 /nfs/dbraw/zinc/78/62/69/569786269.db2.gz XYZIWRRLWQCUOS-PVHODMMVSA-N 0 1 486.568 5.098 40 0 JKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(C)cc3C)ccc2Cl)c(C)c1 ZINC000038753529 569806564 /nfs/dbraw/zinc/80/65/64/569806564.db2.gz UEBBZWPZGVJTDL-LJQANCHMSA-N 0 1 471.022 5.865 40 0 JKABMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000038753363 569806594 /nfs/dbraw/zinc/80/65/94/569806594.db2.gz RCLGABOIHIRIDS-OQKWZONESA-N 0 1 490.972 5.110 40 0 JKABMN CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C)c2)c1)c1ccc(OC)cc1 ZINC000038755307 569806962 /nfs/dbraw/zinc/80/69/62/569806962.db2.gz CUQNOOQMFUKGHQ-JOCHJYFZSA-N 0 1 472.994 5.339 40 0 JKABMN CCOC(=O)c1c(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)sc2c1CCCC2 ZINC000039749591 569811172 /nfs/dbraw/zinc/81/11/72/569811172.db2.gz AXGMUOZTCKQADV-UHFFFAOYSA-N 0 1 461.027 5.308 40 0 JKABMN O=C(Nc1ccc(CSc2ccccc2)cc1)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000039761817 569811621 /nfs/dbraw/zinc/81/16/21/569811621.db2.gz XPVJSVPZMTVDHH-UHFFFAOYSA-N 0 1 451.035 6.483 40 0 JKABMN O=C(Nc1ccccc1C(=O)N1CCCCCC1)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000039773184 569811821 /nfs/dbraw/zinc/81/18/21/569811821.db2.gz OLSMKKTWGPCSGV-UHFFFAOYSA-N 0 1 454.014 5.207 40 0 JKABMN COc1ccc([C@H]2N(c3ccccc3)O[C@H]3C(=O)N(c4ccccc4)C(=O)[C@]32c2ccccc2)cc1 ZINC000102704683 569816426 /nfs/dbraw/zinc/81/64/26/569816426.db2.gz DYWADYLSDWXVEG-WWDWLDGVSA-N 0 1 476.532 5.068 40 0 JKABMN COc1ccc([C@H]2N(c3ccccc3)OC3C(=O)N(c4ccccc4)C(=O)[C@]32c2ccccc2)cc1 ZINC000102704683 569816427 /nfs/dbraw/zinc/81/64/27/569816427.db2.gz DYWADYLSDWXVEG-WWDWLDGVSA-N 0 1 476.532 5.068 40 0 JKABMN Cc1ccc([C@@H](O)[P@](=O)(O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1 ZINC000102704005 569816441 /nfs/dbraw/zinc/81/64/41/569816441.db2.gz CXJVPNVSOOKWQM-PUZJYPAFSA-N 0 1 478.654 8.134 40 0 JKABMN Oc1c2c(c(O)n1-c1ccc(Cl)c(Cl)c1)[C@H](c1cccc3ccccc31)N(c1ccccc1)O2 ZINC000102706542 569816659 /nfs/dbraw/zinc/81/66/59/569816659.db2.gz COTZMDSNSBKJSY-SDHOMARFSA-N 0 1 489.358 6.198 40 0 JKABMN COc1ccc([C@H]2N(c3ccccc3)O[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@]32c2ccccc2)cc1 ZINC000102708323 569816767 /nfs/dbraw/zinc/81/67/67/569816767.db2.gz RXXCHODPTODWQX-XHWIWGEHSA-N 0 1 490.559 5.377 40 0 JKABMN COc1ccc([C@H]2N(c3ccccc3)OC3C(=O)N(c4ccc(C)cc4)C(=O)[C@]32c2ccccc2)cc1 ZINC000102708323 569816769 /nfs/dbraw/zinc/81/67/69/569816769.db2.gz RXXCHODPTODWQX-XHWIWGEHSA-N 0 1 490.559 5.377 40 0 JKABMN CCCCOc1ccc([C@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000102737934 569818953 /nfs/dbraw/zinc/81/89/53/569818953.db2.gz RHKJBKFWHYYCKC-KWXIBIRDSA-N 0 1 486.568 5.315 40 0 JKABMN CCCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)cc1OCC ZINC000102737934 569818954 /nfs/dbraw/zinc/81/89/54/569818954.db2.gz RHKJBKFWHYYCKC-KWXIBIRDSA-N 0 1 486.568 5.315 40 0 JKABMN CCCOc1ccc([C@H]2c3c(O)n(-c4cccc(F)c4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000102762909 569822516 /nfs/dbraw/zinc/82/25/16/569822516.db2.gz QELXDQHSKNAKKE-UODIDJSMSA-N 0 1 490.531 5.064 40 0 JKABMN CSc1ccc([C@H]2c3c(O)n(-c4cccc(C(F)(F)F)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000102864804 569825693 /nfs/dbraw/zinc/82/56/93/569825693.db2.gz POLMJDIEAXQIPX-BHIFYINESA-N 0 1 484.499 5.478 40 0 JKABMN CCc1ccc(N=C2C[C@@H](c3cccc(Br)c3)N(c3ccc(CC)cc3)C2=O)cc1 ZINC000103681340 569836985 /nfs/dbraw/zinc/83/69/85/569836985.db2.gz JQGQKZUTWUSJKS-VWLOTQADSA-N 0 1 461.403 6.658 40 0 JKABMN CCOc1ccc(N=C2C[C@@H](c3ccc(C(C)C)cc3)N(c3ccc(OCC)cc3)C2=O)cc1 ZINC000103753851 569837825 /nfs/dbraw/zinc/83/78/25/569837825.db2.gz WGXGBYDQLJGYCR-NDEPHWFRSA-N 0 1 456.586 6.691 40 0 JKABMN CCCCCCOc1ccc([C@H]2CC(=Nc3ccc(C)cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000103768124 569837931 /nfs/dbraw/zinc/83/79/31/569837931.db2.gz QNDWFHWRIGSIEL-GDLZYMKVSA-N 0 1 454.614 7.346 40 0 JKABMN Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)cc2C)cc1 ZINC000044874613 569839795 /nfs/dbraw/zinc/83/97/95/569839795.db2.gz FCYDCRDBNGHXBM-UHFFFAOYSA-N 0 1 491.657 5.020 40 0 JKABMN COc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)c2cccs2)cc1 ZINC000104231952 569843643 /nfs/dbraw/zinc/84/36/43/569843643.db2.gz FLHJDCQSABWFOY-VWLOTQADSA-N 0 1 458.583 6.863 40 0 JKABMN COc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)Nc2ccccc2)cc1 ZINC000104231892 569843693 /nfs/dbraw/zinc/84/36/93/569843693.db2.gz DLDLGONMDWLPMZ-MHZLTWQESA-N 0 1 467.569 7.193 40 0 JKABMN O=S(=O)(Nc1ccc(Br)c(C(F)(F)F)c1)c1ccccc1Br ZINC000107214930 569856392 /nfs/dbraw/zinc/85/63/92/569856392.db2.gz RVBSWHPNWQYPKE-UHFFFAOYSA-N 0 1 459.081 5.031 40 0 JKABMN CCOC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C)c2C)c1 ZINC000108108779 569858628 /nfs/dbraw/zinc/85/86/28/569858628.db2.gz ZIXOLLKPBWZIOA-UHFFFAOYSA-N 0 1 486.977 5.187 40 0 JKABMN O=C(CSc1nc(-c2ccc(Cl)cc2Cl)n[nH]1)Nc1ccc(Br)cc1 ZINC000216050465 569877802 /nfs/dbraw/zinc/87/78/02/569877802.db2.gz IUOLMJPSBGVOAZ-UHFFFAOYSA-N 0 1 458.168 5.272 40 0 JKABMN Cc1ccc([C@@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)c2ccccc2)cc1 ZINC000216259845 569877982 /nfs/dbraw/zinc/87/79/82/569877982.db2.gz DRIGTDFPHZEJHW-SANMLTNESA-N 0 1 491.012 5.969 40 0 JKABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(OC(C)C)cc3)ccc2Cl)c1C ZINC000216418174 569878800 /nfs/dbraw/zinc/87/88/00/569878800.db2.gz DZDJRFSDLUZAOA-UHFFFAOYSA-N 0 1 487.021 5.475 40 0 JKABMN COC(=O)c1cn(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)c2ccccc12 ZINC000222595062 569886639 /nfs/dbraw/zinc/88/66/39/569886639.db2.gz OHAYQTOFIKTFLV-UHFFFAOYSA-N 0 1 496.972 5.187 40 0 JKABMN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(Cl)c(O)c(I)c3)N21 ZINC000222687917 569888555 /nfs/dbraw/zinc/88/85/55/569888555.db2.gz QPYSRKPVSHEWSD-HFBAOOFYSA-N 0 1 485.778 5.025 40 0 JKABMN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2nnc(-c3ccccc3)s2)ccc1Cl ZINC000222749738 569890177 /nfs/dbraw/zinc/89/01/77/569890177.db2.gz HXQGOJSOLUTRAS-UHFFFAOYSA-N 0 1 484.990 5.220 40 0 JKABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc4ccccc4c3)ccc2Cl)c1 ZINC000222771415 569890684 /nfs/dbraw/zinc/89/06/84/569890684.db2.gz VLCRKPPJEZXFFL-UHFFFAOYSA-N 0 1 464.974 5.532 40 0 JKABMN COc1cccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2cc(C(C)C)c(OC)cc2C)c1 ZINC000222777147 569890871 /nfs/dbraw/zinc/89/08/71/569890871.db2.gz PHASQWZXGAGVJH-UHFFFAOYSA-N 0 1 475.994 6.382 40 0 JKABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)ccc2Cl)c1 ZINC000222934278 569894779 /nfs/dbraw/zinc/89/47/79/569894779.db2.gz RLZNODXGJYNWAI-GOSISDBHSA-N 0 1 483.033 5.819 40 0 JKABMN C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1)c1ccc2c(c1)CCCC2 ZINC000222933989 569894817 /nfs/dbraw/zinc/89/48/17/569894817.db2.gz OQKRBLBNJXTGBX-KRWDZBQOSA-N 0 1 469.006 5.511 40 0 JKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)ccc2Cl)cc1 ZINC000222934419 569894824 /nfs/dbraw/zinc/89/48/24/569894824.db2.gz ZMHXCJXVNYUBJB-GOSISDBHSA-N 0 1 483.033 5.819 40 0 JKABMN CCC(=O)N1CCc2cc(S(=O)(=O)Nc3cc(Cl)ccc3Oc3ccccc3OC)ccc21 ZINC000222956236 569895387 /nfs/dbraw/zinc/89/53/87/569895387.db2.gz IMFDGUYNNKPYTA-UHFFFAOYSA-N 0 1 486.977 5.241 40 0 JKABMN COc1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)cc1 ZINC000222973589 569895898 /nfs/dbraw/zinc/89/58/98/569895898.db2.gz FDQSFCFVAIYTFS-UHFFFAOYSA-N 0 1 493.006 5.622 40 0 JKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc4c(c3)CCC4)ccc2Cl)cc1C ZINC000223183849 569902498 /nfs/dbraw/zinc/90/24/98/569902498.db2.gz HLGLVPMUFBYVNB-GOSISDBHSA-N 0 1 483.033 5.737 40 0 JKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc4c(c3)CCC4)ccc2Cl)cc1C ZINC000223183779 569902517 /nfs/dbraw/zinc/90/25/17/569902517.db2.gz HLGLVPMUFBYVNB-SFHVURJKSA-N 0 1 483.033 5.737 40 0 JKABMN COc1cccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c1 ZINC000223316966 569907274 /nfs/dbraw/zinc/90/72/74/569907274.db2.gz FNTADRLFYRWESO-UHFFFAOYSA-N 0 1 498.988 5.241 40 0 JKABMN Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)cc1C ZINC000223427789 569910994 /nfs/dbraw/zinc/91/09/94/569910994.db2.gz YPUAUKCTNVKSPS-GOSISDBHSA-N 0 1 456.995 5.557 40 0 JKABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3cc(C)c(C)cc3C)ccc2Cl)c1 ZINC000223428155 569911008 /nfs/dbraw/zinc/91/10/08/569911008.db2.gz QZJQZJDGFFUUHN-LJQANCHMSA-N 0 1 471.022 5.865 40 0 JKABMN Cc1cc(C)c([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3C)c2)cc1C ZINC000223428006 569911019 /nfs/dbraw/zinc/91/10/19/569911019.db2.gz CWXPULLOJHHREG-IBGZPJMESA-N 0 1 471.022 5.865 40 0 JKABMN Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3C)c2)cc1C ZINC000223427941 569911030 /nfs/dbraw/zinc/91/10/30/569911030.db2.gz CWXPULLOJHHREG-LJQANCHMSA-N 0 1 471.022 5.865 40 0 JKABMN COc1ccc2cc(S(=O)(=O)Nc3ccccc3SCc3ccc(Cl)cc3)ccc2c1 ZINC000223610745 569917879 /nfs/dbraw/zinc/91/78/79/569917879.db2.gz IXDWTFLEJMBPKX-UHFFFAOYSA-N 0 1 470.015 6.595 40 0 JKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCOc3ccccc3C(C)C)ccc2Cl)cc1 ZINC000223767956 569922622 /nfs/dbraw/zinc/92/26/22/569922622.db2.gz IAGOCFRLSNXNHD-UHFFFAOYSA-N 0 1 487.021 5.381 40 0 JKABMN COc1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000223876499 569925907 /nfs/dbraw/zinc/92/59/07/569925907.db2.gz FZTVPUVPZWBHJY-UHFFFAOYSA-N 0 1 498.988 5.241 40 0 JKABMN O=C(Nc1ccc2c3c(cccc31)CC2)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000223955842 569928350 /nfs/dbraw/zinc/92/83/50/569928350.db2.gz KOSKQPISFVTGGA-UHFFFAOYSA-N 0 1 462.958 5.645 40 0 JKABMN O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000223954958 569928355 /nfs/dbraw/zinc/92/83/55/569928355.db2.gz SCDCBBGZQLNQNC-UHFFFAOYSA-N 0 1 476.941 6.293 40 0 JKABMN O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000223955351 569928395 /nfs/dbraw/zinc/92/83/95/569928395.db2.gz ZIRKRNAYRVBMAZ-UHFFFAOYSA-N 0 1 477.973 5.379 40 0 JKABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCc3ccc(Cl)cc3)ccc2Cl)c1 ZINC000223958057 569928424 /nfs/dbraw/zinc/92/84/24/569928424.db2.gz NPXGOTOCPGDQEM-UHFFFAOYSA-N 0 1 463.386 5.075 40 0 JKABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCOc3ccccc3Cl)ccc2Cl)c1C ZINC000223962804 569928534 /nfs/dbraw/zinc/92/85/34/569928534.db2.gz IXLXYCPWBOCEJQ-UHFFFAOYSA-N 0 1 493.412 5.220 40 0 JKABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc4c5c(cccc53)CC4)ccc2Cl)c1C ZINC000223964499 569928717 /nfs/dbraw/zinc/92/87/17/569928717.db2.gz SEDPVKWRTWHTDI-UHFFFAOYSA-N 0 1 491.012 6.262 40 0 JKABMN COCc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3C)c2)c1 ZINC000223964256 569928725 /nfs/dbraw/zinc/92/87/25/569928725.db2.gz CBEGRPDDABLWHW-UHFFFAOYSA-N 0 1 458.967 5.156 40 0 JKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC[C@H](C)c3ccccc3)ccc2Cl)c(C)c1 ZINC000223965571 569928744 /nfs/dbraw/zinc/92/87/44/569928744.db2.gz DSNRSXAZQQOIDL-SFHVURJKSA-N 0 1 456.995 5.291 40 0 JKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCOc3ccc(C)c(C)c3)ccc2Cl)c(C)c1 ZINC000223966299 569928765 /nfs/dbraw/zinc/92/87/65/569928765.db2.gz MEQARKPNXKMNGH-UHFFFAOYSA-N 0 1 487.021 5.183 40 0 JKABMN CCCC[C@@H](CC)CNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1 ZINC000223969626 569928908 /nfs/dbraw/zinc/92/89/08/569928908.db2.gz RRBCHKUHMXCTGK-GOSISDBHSA-N 0 1 451.032 5.704 40 0 JKABMN Cc1ccc(OCCNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)c(C)c1 ZINC000223970605 569928956 /nfs/dbraw/zinc/92/89/56/569928956.db2.gz DKXZGGOTGFILBO-UHFFFAOYSA-N 0 1 487.021 5.183 40 0 JKABMN 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555742883 /nfs/dbraw/zinc/74/28/83/555742883.db2.gz FFVDBGISQVNKAY-UHFFFAOYSA-N 0 1 492.535 5.752 40 0 JKABMN Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3cc(Cl)cc(Cl)c3O)o2)cc1Cl ZINC000014270346 555762169 /nfs/dbraw/zinc/76/21/69/555762169.db2.gz AGTDOJONTAEWOV-UHFFFAOYSA-N 0 1 455.750 6.048 40 0 JKABMN COc1ccc([C@H](O)[P@@](=O)(O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 ZINC000011667431 555798198 /nfs/dbraw/zinc/79/81/98/555798198.db2.gz ZOBOYBARNZZRMT-QJEDNTJGSA-N 0 1 494.653 7.834 40 0 JKABMN C[C@H](NCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000022074171 555871092 /nfs/dbraw/zinc/87/10/92/555871092.db2.gz SRAQYUYRCJNAJG-HNNXBMFYSA-N 0 1 465.218 7.186 40 0 JKABMN Cc1cc2c(cc1Br)C(=O)[C@@](CN1CCCCC1)(Sc1ccc(Cl)cc1)CO2 ZINC000015229092 555888361 /nfs/dbraw/zinc/88/83/61/555888361.db2.gz ZOFSPLQYCSXNQB-QFIPXVFZSA-N 0 1 480.855 6.003 40 0 JKABMN Cc1cc2c(cc1Br)C(=O)[C@](CN1CCCCC1)(Sc1ccc(Cl)cc1)CO2 ZINC000015229090 555888421 /nfs/dbraw/zinc/88/84/21/555888421.db2.gz ZOFSPLQYCSXNQB-JOCHJYFZSA-N 0 1 480.855 6.003 40 0 JKABMN CCOC(=O)C1CCN([C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)c2ccccc2)CC1 ZINC000015441012 555909159 /nfs/dbraw/zinc/90/91/59/555909159.db2.gz XXZZIKOYNHEZFJ-VWLOTQADSA-N 0 1 476.642 5.982 40 0 JKABMN CCOC(=O)C1CCN([C@H](c2cccs2)c2c(C)c(C)sc2NC(=O)c2ccccc2)CC1 ZINC000015441214 555909432 /nfs/dbraw/zinc/90/94/32/555909432.db2.gz NKWGKYCEXIGJEH-HSZRJFAPSA-N 0 1 482.671 6.043 40 0 JKABMN O=C(Nc1ccc(Cl)cc1)N1Cc2[nH]cnc2C[C@H]1c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000015675770 555934535 /nfs/dbraw/zinc/93/45/35/555934535.db2.gz IBGQFWMWIVGRLO-SFHVURJKSA-N 0 1 488.857 5.463 40 0 biogenic,in-vitro JKABMN O=C(Nc1ccc(Cl)cc1)N1Cc2[nH]cnc2C[C@H]1c1nc(-c2ccc(Cl)cc2)no1 ZINC000015675860 555934920 /nfs/dbraw/zinc/93/49/20/555934920.db2.gz IXXNDPRSSFOBRG-SFHVURJKSA-N 0 1 455.305 5.098 40 0 biogenic,in-vitro JKABMN Cc1cccc(N2C(=O)C3=C(C2=O)C(c2ccc(Cl)cc2Cl)Nc2ccccc2S3)c1 ZINC000022578792 555939348 /nfs/dbraw/zinc/93/93/48/555939348.db2.gz XETQPAKTMLDONZ-NRFANRHFSA-N 0 1 467.377 6.388 40 0 JKABMN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc(N4CCN(C)CC4)cc3)o2)cc1Cl ZINC000022754438 555953484 /nfs/dbraw/zinc/95/34/84/555953484.db2.gz JLOAHHIEFOINSV-ZRDIBKRKSA-N 0 1 495.048 5.187 40 0 JKABMN CCN1CCN([C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023292187 556038238 /nfs/dbraw/zinc/03/82/38/556038238.db2.gz ABCWPAYXMRAIMG-DEOSSOPVSA-N 0 1 468.066 5.998 40 0 JKABMN Cc1c(Cl)cc(NC(=O)COc2ccc(CC(C)(C)C)cc2CC(C)(C)C)c(O)c1Cl ZINC000016249853 556131033 /nfs/dbraw/zinc/13/10/33/556131033.db2.gz UYGUAWKCILTJSY-UHFFFAOYSA-N 0 1 466.449 7.202 40 0 JKABMN Cc1cc(N2N=C(c3ccccc3)C[C@H]2c2ccc(Br)cc2)nc(-c2ccccc2O)n1 ZINC000016283989 556132803 /nfs/dbraw/zinc/13/28/03/556132803.db2.gz FDRHNEZWUVLVBJ-QHCPKHFHSA-N 0 1 485.385 6.276 40 0 JKABMN O=C(Nc1ccc2nc(-c3ccc(Cl)cc3)[nH]c2c1)c1cc(Br)ccc1Cl ZINC000016429330 556138864 /nfs/dbraw/zinc/13/88/64/556138864.db2.gz ZZYRUQZCACAZQX-UHFFFAOYSA-N 0 1 461.146 6.552 40 0 JKABMN O=C1S/C(=C/c2cc(Br)cc(Br)c2O)C(=O)N1c1ccccc1 ZINC000016488331 556140619 /nfs/dbraw/zinc/14/06/19/556140619.db2.gz MKZXPINDEIYSOV-NTUHNPAUSA-N 0 1 455.127 5.158 40 0 JKABMN CCOC(=O)[C@@](/C=C1/N(C)c2ccccc2C1(C)C)(c1c(C)[nH]n(-c2ccccc2)c1=O)C(F)(F)F ZINC000016682088 556151121 /nfs/dbraw/zinc/15/11/21/556151121.db2.gz GVQAYUHRLJSDPN-KGSORJMFSA-N 0 1 499.533 5.149 40 0 JKABMN CCc1ccc2[nH]c(=O)c(CN([C@@H](CC)c3nnnn3C3CCCC3)C3CCCCC3)cc2c1 ZINC000013034036 556232057 /nfs/dbraw/zinc/23/20/57/556232057.db2.gz IUSPECDWOYMGEB-VWLOTQADSA-N 0 1 462.642 5.478 40 0 JKABMN CCc1ccc2[nH]c(=O)c(CN([C@H](CC)c3nnnn3C(C)(C)CC)C3CCCCC3)cc2c1 ZINC000013034012 556232110 /nfs/dbraw/zinc/23/21/10/556232110.db2.gz JVPSOHUQVHULHK-XMMPIXPASA-N 0 1 464.658 5.508 40 0 JKABMN CSc1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1C(=O)N1CCCCCC1 ZINC000026120044 556248885 /nfs/dbraw/zinc/24/88/85/556248885.db2.gz KEHBXGQUYUZENH-UHFFFAOYSA-N 0 1 472.554 5.244 40 0 JKABMN CSc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1C(=O)N1CCCCCC1 ZINC000026120682 556249148 /nfs/dbraw/zinc/24/91/48/556249148.db2.gz UAQKSVRNBVZXAZ-UHFFFAOYSA-N 0 1 496.654 6.018 40 0 JKABMN COc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)N2CCC(C)CC2)c(OC)c1 ZINC000026770885 556260867 /nfs/dbraw/zinc/26/08/67/556260867.db2.gz HSANRXUNKYOMBA-SANMLTNESA-N 0 1 478.658 6.456 40 0 JKABMN CC[C@H](c1nnnn1Cc1ccccc1)N(Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013063871 556261154 /nfs/dbraw/zinc/26/11/54/556261154.db2.gz QJBDVWYZOSMPAY-AREMUKBSSA-N 0 1 470.621 5.157 40 0 JKABMN CC[C@H](c1nnnn1C1CCCCC1)N(Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCCC1 ZINC000013064070 556261461 /nfs/dbraw/zinc/26/14/61/556261461.db2.gz RZEUEKYQBZCUKS-RUZDIDTESA-N 0 1 478.641 5.314 40 0 JKABMN CC[C@@H](c1nnnn1C1CCCCC1)N(Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCCC1 ZINC000013064071 556261622 /nfs/dbraw/zinc/26/16/22/556261622.db2.gz RZEUEKYQBZCUKS-VWLOTQADSA-N 0 1 478.641 5.314 40 0 JKABMN CC[C@H](c1nnnn1C1CCCCC1)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013064611 556262350 /nfs/dbraw/zinc/26/23/50/556262350.db2.gz PMKCGHPYTSKRLT-AREMUKBSSA-N 0 1 476.669 5.923 40 0 JKABMN CC[C@H](c1nnnn1CCc1ccccc1)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013064734 556262687 /nfs/dbraw/zinc/26/26/87/556262687.db2.gz FPUJOVMSTUSWSC-MUUNZHRXSA-N 0 1 498.675 5.660 40 0 JKABMN CC[C@@H](c1nnnn1CCc1ccccc1)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013064735 556262709 /nfs/dbraw/zinc/26/27/09/556262709.db2.gz FPUJOVMSTUSWSC-NDEPHWFRSA-N 0 1 498.675 5.660 40 0 JKABMN CC[C@@H](c1nnnn1C1CCCCC1)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013064847 556262722 /nfs/dbraw/zinc/26/27/22/556262722.db2.gz VATSQIAXMBNONH-SANMLTNESA-N 0 1 476.669 5.923 40 0 JKABMN CC[C@H](c1nnnn1C(C)(C)CC)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013064798 556262764 /nfs/dbraw/zinc/26/27/64/556262764.db2.gz XKOLODUXEZJPJJ-XMMPIXPASA-N 0 1 464.658 5.563 40 0 JKABMN CC[C@@H](c1nnnn1C1CCCC1)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013064823 556262789 /nfs/dbraw/zinc/26/27/89/556262789.db2.gz RUMMCLAKNTYTIL-VWLOTQADSA-N 0 1 462.642 5.533 40 0 JKABMN CC[C@@H](c1nnnn1CCc1ccccc1)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013064989 556263218 /nfs/dbraw/zinc/26/32/18/556263218.db2.gz CIXWMXNCOWTEDL-NDEPHWFRSA-N 0 1 498.675 5.660 40 0 JKABMN CCc1ccc([C@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000017920086 556271675 /nfs/dbraw/zinc/27/16/75/556271675.db2.gz ILOGOOOAUQKWMJ-VABKMULXSA-N 0 1 477.358 5.063 40 0 JKABMN CCc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000017920086 556271679 /nfs/dbraw/zinc/27/16/79/556271679.db2.gz ILOGOOOAUQKWMJ-VABKMULXSA-N 0 1 477.358 5.063 40 0 JKABMN CSc1ccc([C@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccc(Cl)cc2)cc1 ZINC000018163593 556296926 /nfs/dbraw/zinc/29/69/26/556296926.db2.gz FPAWZWCFCCVLGZ-FKBYEOEOSA-N 0 1 450.947 5.113 40 0 JKABMN CCN(CC)[C@H](CNC(=O)c1cc(-c2ccc(Br)cc2)on1)c1ccccc1Cl ZINC000028296108 556330636 /nfs/dbraw/zinc/33/06/36/556330636.db2.gz ZORREEMDVWONAS-HXUWFJFHSA-N 0 1 476.802 5.570 40 0 JKABMN O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1ccc(CSc2ccccc2)cc1 ZINC000030855141 556379440 /nfs/dbraw/zinc/37/94/40/556379440.db2.gz GAVFBJKBGTXDIQ-UHFFFAOYSA-N 0 1 475.595 5.427 40 0 JKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(N4CCCC4=O)cc3)ccc2Cl)c(C)c1 ZINC000030873101 556385809 /nfs/dbraw/zinc/38/58/09/556385809.db2.gz LOCBACSBBPEHOQ-UHFFFAOYSA-N 0 1 498.004 5.137 40 0 JKABMN O=C(Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1)c1ccc(Br)o1 ZINC000032116352 556423235 /nfs/dbraw/zinc/42/32/35/556423235.db2.gz VXYCMKBXFXWNNG-UHFFFAOYSA-N 0 1 478.096 5.571 40 0 JKABMN O=C(NC(=S)Nc1cc(Br)c(O)c(Br)c1)c1ccc(Cl)c(Cl)c1 ZINC000032116459 556423629 /nfs/dbraw/zinc/42/36/29/556423629.db2.gz HLZRHHHXAGMZNF-UHFFFAOYSA-N 0 1 499.011 5.351 40 0 JKABMN CCCCOc1cccc(C(=O)Nc2ccc3oc(-c4ccc(O)c(Br)c4)nc3c2)c1 ZINC000032116489 556423825 /nfs/dbraw/zinc/42/38/25/556423825.db2.gz HSVLRPSPGUZHTM-UHFFFAOYSA-N 0 1 481.346 6.394 40 0 JKABMN O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1cc(Br)c(O)c(Br)c1 ZINC000032116492 556423830 /nfs/dbraw/zinc/42/38/30/556423830.db2.gz CMQMQARMEFUXEF-ZZXKWVIFSA-N 0 1 490.604 5.097 40 0 JKABMN CC[C@H](C)Oc1cccc(C(=O)Nc2ccc3oc(-c4ccc(O)c(Br)c4)nc3c2)c1 ZINC000032116481 556423841 /nfs/dbraw/zinc/42/38/41/556423841.db2.gz MFXLYWISXSJVHF-AWEZNQCLSA-N 0 1 481.346 6.393 40 0 JKABMN CCCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(O)c(Br)c4)nc3c2)cc1 ZINC000032116525 556423847 /nfs/dbraw/zinc/42/38/47/556423847.db2.gz QTTQTVDLIUMCPY-UHFFFAOYSA-N 0 1 467.319 6.004 40 0 JKABMN O=C(Cc1ccc(Cl)cc1)Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1 ZINC000032116524 556423887 /nfs/dbraw/zinc/42/38/87/556423887.db2.gz PVNWJJZRBNMHLR-UHFFFAOYSA-N 0 1 457.711 5.798 40 0 JKABMN O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1 ZINC000032116662 556424461 /nfs/dbraw/zinc/42/44/61/556424461.db2.gz WKBCRVBSAQYPIT-XCVCLJGOSA-N 0 1 469.722 6.268 40 0 JKABMN O=C(COc1cccc2ccccc21)Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1 ZINC000032116627 556424539 /nfs/dbraw/zinc/42/45/39/556424539.db2.gz UCPNYYBZUSMMDK-UHFFFAOYSA-N 0 1 489.325 6.134 40 0 JKABMN CCCCCC(=O)NC(=S)Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1 ZINC000032116680 556424829 /nfs/dbraw/zinc/42/48/29/556424829.db2.gz OFYLBEKTDWGHJK-UHFFFAOYSA-N 0 1 462.369 5.356 40 0 JKABMN O=C(Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1)c1ccc(Br)cc1 ZINC000032116700 556424905 /nfs/dbraw/zinc/42/49/05/556424905.db2.gz BGNYHZLBVIQYML-UHFFFAOYSA-N 0 1 488.135 5.978 40 0 JKABMN CC[C@@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@H]1Cc1nccc2cc(OC)c(OC)cc21 ZINC000257480495 560041761 /nfs/dbraw/zinc/04/17/61/560041761.db2.gz MBYXEBXZARTUSS-JYMRHQFYSA-N 0 1 476.617 5.457 40 0 biogenic,in-vitro JKABMN Cc1nc(-c2cccs2)cc([C@H]2C[N@H+]3CC[C@H]2C[C@@H]3CNC(=O)c2ccc(C(F)(F)F)cc2)n1 ZINC000008623083 569592353 /nfs/dbraw/zinc/59/23/53/569592353.db2.gz VRFGLUCSPKQQET-SXLOBPIMSA-N 0 1 486.563 5.140 40 0 biogenic,in-vitro JKABMN Cc1nc(-c2cccs2)cc([C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)c2ccc(C(F)(F)F)cc2)n1 ZINC000008623083 569592354 /nfs/dbraw/zinc/59/23/54/569592354.db2.gz VRFGLUCSPKQQET-SXLOBPIMSA-N 0 1 486.563 5.140 40 0 biogenic,in-vitro JKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Br)cc3)ccc2Cl)cc1 ZINC000033738223 569632839 /nfs/dbraw/zinc/63/28/39/569632839.db2.gz WWLCNHOYHOXHCP-UHFFFAOYSA-N 0 1 479.783 5.464 40 0 JKABMN CCc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4c(C)cc(C)cc4C)c3C)C(=O)NC2=S)cc1 ZINC000033371758 569625282 /nfs/dbraw/zinc/62/52/82/569625282.db2.gz WJWZJDNGNYNEEC-BUVRLJJBSA-N 0 1 471.626 6.253 40 0 JKABMN CCc1ccc(N2C(=O)C(=Cc3ccccc3OCC(=O)Nc3ccc(C)cc3)C(=O)NC2=S)cc1 ZINC000033380034 569625424 /nfs/dbraw/zinc/62/54/24/569625424.db2.gz BTDBNXORRVVQKE-XQNSMLJCSA-N 0 1 499.592 5.247 40 0 JKABMN CC[NH+](CC)c1ccc(-n2c(C)cc(C=C3C(=O)[N-]C(=O)N(Cc4ccco4)C3=O)c2C)cc1 ZINC000033429442 569626239 /nfs/dbraw/zinc/62/62/39/569626239.db2.gz ILCMEGQPSTYLRD-HZHRSRAPSA-N 0 1 460.534 5.036 40 0 JKABMN CCc1ccc(N2C(=O)C(=Cc3ccc(OCc4ccccc4C#N)cc3)C(=O)NC2=S)cc1 ZINC000033560600 569627910 /nfs/dbraw/zinc/62/79/10/569627910.db2.gz OKLCBHCAYSNNBZ-BUVRLJJBSA-N 0 1 467.550 5.371 40 0 JKABMN CC[C@H](C)Oc1c(Cl)cc(C=C2C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc1OC ZINC000033562149 569627922 /nfs/dbraw/zinc/62/79/22/569627922.db2.gz LFUGMTUAQOCNKI-ADFUCPMPSA-N 0 1 472.994 5.814 40 0 JKABMN CC[C@@H](C)Oc1c(Cl)cc(C=C2C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc1OC ZINC000033562147 569627936 /nfs/dbraw/zinc/62/79/36/569627936.db2.gz LFUGMTUAQOCNKI-ZXMBATIKSA-N 0 1 472.994 5.814 40 0 JKABMN CCc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc(Cl)cc4Cl)o3)C(=O)NC2=S)cc1 ZINC000033615892 569628879 /nfs/dbraw/zinc/62/88/79/569628879.db2.gz FQQRBGZNIRIXGY-PDGQHHTCSA-N 0 1 471.365 6.487 40 0 JKABMN O=C(c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1)N(Cc1ccccc1)Cc1ccccc1 ZINC000033642259 569629420 /nfs/dbraw/zinc/62/94/20/569629420.db2.gz ANYKHABFFLSQPR-UHFFFAOYSA-N 0 1 491.012 5.983 40 0 JKABMN N#CCn1cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccc21 ZINC000033657933 569629885 /nfs/dbraw/zinc/62/98/85/569629885.db2.gz UJIJBONZGYMXNZ-OQLLNIDSSA-N 0 1 455.326 5.143 40 0 JKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc4ccccc4c3)ccc2Cl)cc1 ZINC000033663695 569630216 /nfs/dbraw/zinc/63/02/16/569630216.db2.gz SZKUZYFQKBDGAE-UHFFFAOYSA-N 0 1 450.947 5.855 40 0 JKABMN CCc1ccc(N2C(=O)C(=Cc3cccc(OCc4ccc(F)cc4)c3)C(=O)NC2=S)cc1 ZINC000033726800 569632269 /nfs/dbraw/zinc/63/22/69/569632269.db2.gz RUVXLNNOULQIRA-HZHRSRAPSA-N 0 1 460.530 5.639 40 0 JKABMN CCc1ccc(N2C(=O)C(=Cc3ccc(OCc4cccc(F)c4)cc3)C(=O)NC2=S)cc1 ZINC000033779563 569634495 /nfs/dbraw/zinc/63/44/95/569634495.db2.gz GYUMOHNBOJELNA-HZHRSRAPSA-N 0 1 460.530 5.639 40 0 JKABMN CCc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(C)cc4C)c3C)C(=O)NC2=S)cc1 ZINC000033782125 569634770 /nfs/dbraw/zinc/63/47/70/569634770.db2.gz FMODWYRIVDHCFN-HZHRSRAPSA-N 0 1 457.599 5.945 40 0 JKABMN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(NCc1ccccc1)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000034387967 569640106 /nfs/dbraw/zinc/64/01/06/569640106.db2.gz IHRMUTXAWUQZGN-MHDIBBDZSA-N 0 1 463.643 7.839 40 0 JKABMN Cc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(Br)cc1F ZINC000034767591 569658726 /nfs/dbraw/zinc/65/87/26/569658726.db2.gz YRXGSAINBLKYPD-RQZCQDPDSA-N 0 1 486.297 5.091 40 0 JKABMN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1ccccc1OCc1ccc2ccccc2c1 ZINC000035078215 569674372 /nfs/dbraw/zinc/67/43/72/569674372.db2.gz IKGJVJGCOFATIF-HZHRSRAPSA-N 0 1 452.466 5.514 40 0 JKABMN CCOc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3C)c2)cc1 ZINC000035125163 569675137 /nfs/dbraw/zinc/67/51/37/569675137.db2.gz HIBBPAPPSYCOIC-UHFFFAOYSA-N 0 1 458.967 5.409 40 0 JKABMN CN1CCN(c2ccccc2NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)CC1 ZINC000035362299 569682264 /nfs/dbraw/zinc/68/22/64/569682264.db2.gz RLLKUTIGBHPPPS-UHFFFAOYSA-N 0 1 479.458 5.087 40 0 JKABMN Fc1ccc(CN(Cc2ncc(C(F)(F)F)[nH]2)Cc2ccc(OCc3ccccc3)cc2)cc1 ZINC000035572468 569704889 /nfs/dbraw/zinc/70/48/89/569704889.db2.gz LSGIKALAEWJAFI-UHFFFAOYSA-N 0 1 469.482 6.349 40 0 JKABMN CCCCOc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]3ON2c2ccccc2)cc1OC ZINC000096791727 569743039 /nfs/dbraw/zinc/74/30/39/569743039.db2.gz GXPWKMBLSASAPE-QKDODKLFSA-N 0 1 486.568 5.234 40 0 JKABMN C[C@]1(O)CC(=O)[C@@H](C(=O)c2ccccc2)[C@H](c2ccc(Br)cc2)[C@@H]1C(=O)c1ccccc1 ZINC000100637249 569765911 /nfs/dbraw/zinc/76/59/11/569765911.db2.gz DOMKDVRQFVLOLZ-VNAWGFGGSA-N 0 1 491.381 5.255 40 0 JKABMN Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cccc5ccccc54)[C@@H]3C2=O)cc1Cl ZINC000100935332 569776563 /nfs/dbraw/zinc/77/65/63/569776563.db2.gz KGDAWQUMZNCGLS-NXCFDTQHSA-N 0 1 468.940 5.853 40 0 JKABMN O=C1c2n[nH]c(-c3ccc(Br)cc3)c2[C@@H](c2cccnc2)N1CCc1c[nH]c2ccccc12 ZINC000036619664 569778651 /nfs/dbraw/zinc/77/86/51/569778651.db2.gz UXASLKSRFBYUDI-RUZDIDTESA-N 0 1 498.384 5.503 40 0 JKABMN COc1ccc([C@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)c(OC)c1 ZINC000101087816 569782043 /nfs/dbraw/zinc/78/20/43/569782043.db2.gz LSOWSSNQULASJV-VABKMULXSA-N 0 1 499.350 5.062 40 0 JKABMN CSc1ccc([C@H]2c3c(O)n(-c4ccc(C(F)(F)F)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000101130008 569783956 /nfs/dbraw/zinc/78/39/56/569783956.db2.gz HAJUGEUHVOQGPR-FSSWDIPSSA-N 0 1 484.499 5.478 40 0 JKABMN CC(C)(C)c1ccc([C@H]2c3c(O)n(-c4cccc(Cl)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000101149906 569784557 /nfs/dbraw/zinc/78/45/57/569784557.db2.gz MEHNVWVGHSGVRX-HJOGWXRNSA-N 0 1 460.961 5.689 40 0 JKABMN CC(C)(C)c1ccc([C@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000101149906 569784559 /nfs/dbraw/zinc/78/45/59/569784559.db2.gz MEHNVWVGHSGVRX-HJOGWXRNSA-N 0 1 460.961 5.689 40 0 JKABMN CCOc1ccccc1CNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(C)ccc2C)c1 ZINC000038754931 569806941 /nfs/dbraw/zinc/80/69/41/569806941.db2.gz AFZUNGBODWVFJD-UHFFFAOYSA-N 0 1 472.994 5.086 40 0 JKABMN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000038755642 569807129 /nfs/dbraw/zinc/80/71/29/569807129.db2.gz OKBRFVWHTSXEPI-LJQANCHMSA-N 0 1 461.996 5.045 40 0 JKABMN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000038860792 569809015 /nfs/dbraw/zinc/80/90/15/569809015.db2.gz QEROVJACIVGLEM-LJQANCHMSA-N 0 1 455.385 6.636 40 0 JKABMN C[C@@H](NC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000039757868 569811450 /nfs/dbraw/zinc/81/14/50/569811450.db2.gz TVWMWLNFNOUTEY-HXUWFJFHSA-N 0 1 476.020 5.682 40 0 JKABMN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(Cc4ccc(Cl)cc4)CC3)cc2)c1 ZINC000039759995 569811509 /nfs/dbraw/zinc/81/15/09/569811509.db2.gz RZYDJSLUKGZTBM-UHFFFAOYSA-N 0 1 498.048 5.300 40 0 JKABMN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(Cc4ccccc4Cl)CC3)cc2)cc1 ZINC000039761513 569811647 /nfs/dbraw/zinc/81/16/47/569811647.db2.gz QMAWEYGQQTWUQF-UHFFFAOYSA-N 0 1 498.048 5.300 40 0 JKABMN C[C@H](NC(=O)c1ccccc1NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1)c1ccccc1 ZINC000039766051 569811701 /nfs/dbraw/zinc/81/17/01/569811701.db2.gz JYHBACHUXWXQDL-FQEVSTJZSA-N 0 1 476.020 5.682 40 0 JKABMN Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CC[NH+](Cc4ccccc4)CC3)cc2)cc1Cl ZINC000039767979 569811770 /nfs/dbraw/zinc/81/17/70/569811770.db2.gz ADLHCYQDXFWKQJ-UHFFFAOYSA-N 0 1 498.048 5.300 40 0 JKABMN O=C1[C@@H]2[C@H](c3cccc4ccccc43)N(c3ccccc3)O[C@@H]2C(=O)N1c1cccc(Cl)c1 ZINC000102707292 569816614 /nfs/dbraw/zinc/81/66/14/569816614.db2.gz MJOIKRDLSPNTGC-DSITVLBTSA-N 0 1 454.913 5.544 40 0 JKABMN Oc1c2c(c(O)n1-c1ccc(Cl)c(Cl)c1)[C@H](c1cccc3ccccc31)N(c1ccccc1)O2 ZINC000102706546 569816700 /nfs/dbraw/zinc/81/67/00/569816700.db2.gz COTZMDSNSBKJSY-DSITVLBTSA-N 0 1 489.358 6.198 40 0 JKABMN Oc1c2c(c(O)n1-c1cccc(C(F)(F)F)c1)[C@H](c1cccc3ccccc31)N(c1ccccc1)O2 ZINC000102707843 569816727 /nfs/dbraw/zinc/81/67/27/569816727.db2.gz AFWXVGVLMNSEKH-DSITVLBTSA-N 0 1 488.465 5.910 40 0 JKABMN COc1ccc(OC)c([C@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)c1 ZINC000102727106 569817734 /nfs/dbraw/zinc/81/77/34/569817734.db2.gz XQOMMHZCPXMMNP-RJGXRXQPSA-N 0 1 499.350 5.062 40 0 JKABMN CCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1OCC ZINC000102750879 569820766 /nfs/dbraw/zinc/82/07/66/569820766.db2.gz WYSNQLAPGDPWBR-KWXIBIRDSA-N 0 1 486.568 5.234 40 0 JKABMN CCCOc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@@H]3ON2c2ccccc2)cc1OCC ZINC000102749607 569820918 /nfs/dbraw/zinc/82/09/18/569820918.db2.gz RWOJXXMELXBCQV-KWXIBIRDSA-N 0 1 486.568 5.234 40 0 JKABMN Cc1[nH]c2ccccc2c1[C@H]1c2c(O)n(-c3ccc(Cl)c(Cl)c3)c(O)c2ON1c1ccccc1 ZINC000102755040 569821414 /nfs/dbraw/zinc/82/14/14/569821414.db2.gz ZJLRIAFKGZDUFS-KMDXXIMOSA-N 0 1 492.362 5.834 40 0 JKABMN CCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(CC)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1OC ZINC000102759281 569821551 /nfs/dbraw/zinc/82/15/51/569821551.db2.gz XYZIWRRLWQCUOS-KWXIBIRDSA-N 0 1 486.568 5.098 40 0 JKABMN CCc1ccc(N=C2C[C@H](c3cccc(Br)c3)N(c3ccc(CC)cc3)C2=O)cc1 ZINC000103681338 569837038 /nfs/dbraw/zinc/83/70/38/569837038.db2.gz JQGQKZUTWUSJKS-RUZDIDTESA-N 0 1 461.403 6.658 40 0 JKABMN CC(C)(C)c1ccc(Br)c(S(=O)(=O)Nc2ccc(I)cc2)c1 ZINC000041105659 569837805 /nfs/dbraw/zinc/83/78/05/569837805.db2.gz DOBLPZROLTUBJG-UHFFFAOYSA-N 0 1 494.192 5.152 40 0 JKABMN CCCCOc1ccc(N=C2C[C@H](c3ccc(F)cc3)N(c3ccc(OCCCC)cc3)C2=O)cc1 ZINC000103767995 569837875 /nfs/dbraw/zinc/83/78/75/569837875.db2.gz ZNRLEZNJHYIMSO-GDLZYMKVSA-N 0 1 488.603 7.267 40 0 JKABMN CCCCOc1ccc(N=C2C[C@@H](c3ccc(F)cc3)N(c3ccc(OCCCC)cc3)C2=O)cc1 ZINC000103768000 569837968 /nfs/dbraw/zinc/83/79/68/569837968.db2.gz ZNRLEZNJHYIMSO-LJAQVGFWSA-N 0 1 488.603 7.267 40 0 JKABMN O=C1S/C(=C\c2cc(Cl)cc(Cl)c2O)C(=O)N1Cc1ccc(Br)cc1 ZINC000106723456 569855139 /nfs/dbraw/zinc/85/51/39/569855139.db2.gz ACRMAJMGNZBNLS-NSIKDUERSA-N 0 1 459.148 5.698 40 0 JKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc4ccccc4c3)ccc2Cl)c(C)c1 ZINC000107830855 569857620 /nfs/dbraw/zinc/85/76/20/569857620.db2.gz WUDYIVOCQFHMGY-UHFFFAOYSA-N 0 1 464.974 6.163 40 0 JKABMN O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000107999403 569858195 /nfs/dbraw/zinc/85/81/95/569858195.db2.gz OPMDWYPKWLKONV-UHFFFAOYSA-N 0 1 462.387 5.633 40 0 JKABMN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2cccc(Br)c2)ccc1Cl ZINC000108102449 569858681 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COc1ccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3C(=O)c3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000015675972 555935356 /nfs/dbraw/zinc/93/53/56/555935356.db2.gz GDQRCOZHPMGREF-VWLOTQADSA-N 0 1 477.524 5.075 40 0 biogenic,in-vitro JKABMN C=COCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 ZINC000022581119 555939926 /nfs/dbraw/zinc/93/99/26/555939926.db2.gz KVFPQYPJYZBMDS-UHFFFAOYSA-N 0 1 463.569 5.476 40 0 JKABMN CCN1CCN([C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023292177 556038320 /nfs/dbraw/zinc/03/83/20/556038320.db2.gz CZYGTXKPOCBQCR-DEOSSOPVSA-N 0 1 451.611 5.483 40 0 JKABMN CCN1CCN([C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)c2ccccc2Cl)CC1 ZINC000023292207 556038347 /nfs/dbraw/zinc/03/83/47/556038347.db2.gz XREUTNJPJDDAMN-XMMPIXPASA-N 0 1 468.066 5.998 40 0 JKABMN Cc1cc(N2N=C(c3ccccc3)C[C@@H]2c2ccc(Br)cc2)nc(-c2ccccc2O)n1 ZINC000016283986 556132839 /nfs/dbraw/zinc/13/28/39/556132839.db2.gz FDRHNEZWUVLVBJ-HSZRJFAPSA-N 0 1 485.385 6.276 40 0 JKABMN CCOc1cc(CNCc2ccc3c(c2)OCO3)cc(Br)c1OCc1ccccc1 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556425021 /nfs/dbraw/zinc/42/50/21/556425021.db2.gz AFIQRJNATIKECY-UHFFFAOYSA-N 0 1 478.129 6.522 40 0 JKABMN O=C(Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1)c1cccc(Cl)c1Cl ZINC000032116781 556425128 /nfs/dbraw/zinc/42/51/28/556425128.db2.gz GODBOOYSMVICNC-UHFFFAOYSA-N 0 1 478.129 6.522 40 0 JKABMN Cn1cc(CN2CCC[C@H]2c2nc(-c3ccc(OC4CCCCC4)nc3)no2)c2ccccc21 ZINC000035425536 560080678 /nfs/dbraw/zinc/08/06/78/560080678.db2.gz WSDLNFRBHQMPKB-DEOSSOPVSA-N 0 1 457.578 5.672 40 0 biogenic,in-vitro JKABMN CCC(CC)c1cc([C@H]2C[N@H+]3CC[C@H]2C[C@@H]3CNC(=O)c2ccc(OC)cc2)nc(-c2ccncc2)n1 ZINC000008623009 560107594 /nfs/dbraw/zinc/10/75/94/560107594.db2.gz CQHGRLXXPWNMFY-GSLIJJQTSA-N 0 1 499.659 5.059 40 0 biogenic,in-vitro JKABMN CCC(CC)c1cc([C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)c2ccc(OC)cc2)nc(-c2ccncc2)n1 ZINC000008623009 560107596 /nfs/dbraw/zinc/10/75/96/560107596.db2.gz CQHGRLXXPWNMFY-GSLIJJQTSA-N 0 1 499.659 5.059 40 0 biogenic,in-vitro JKABMN CCOCC=Cc1ccc(-c2nc(-c3ccc(NC(C)C)cc3)c(-c3ccc(NC(C)C)cc3)[nH]2)cc1 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/nfs/dbraw/zinc/63/02/37/569630237.db2.gz PBLOMIFUBCCLFV-UHFFFAOYSA-N 0 1 456.995 6.133 40 0 JKABMN CCc1ccc(N2C(=O)C(=Cc3ccccc3OCc3ccccc3Cl)C(=O)NC2=S)cc1 ZINC000033680971 569630732 /nfs/dbraw/zinc/63/07/32/569630732.db2.gz PADAURBVBMSPGW-RCCKNPSSSA-N 0 1 476.985 6.153 40 0 JKABMN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccc4ccccc4c3)ccc2Cl)c1 ZINC000033735437 569632764 /nfs/dbraw/zinc/63/27/64/569632764.db2.gz WAUMUMMNDYTIPL-UHFFFAOYSA-N 0 1 464.974 6.163 40 0 JKABMN CC[C@@H](C)Oc1c(Cl)cc(C=C2C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1OC ZINC000033739771 569632975 /nfs/dbraw/zinc/63/29/75/569632975.db2.gz JVRAZCGSDNIOIW-BFERYNQYSA-N 0 1 472.994 5.814 40 0 JKABMN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000033759600 569633822 /nfs/dbraw/zinc/63/38/22/569633822.db2.gz RLWSMWLJIBXVKE-YBFXNURJSA-N 0 1 499.292 5.263 40 0 JKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3Br)ccc2Cl)cc1 ZINC000033785094 569634978 /nfs/dbraw/zinc/63/49/78/569634978.db2.gz JDWABLXVQVJDHU-UHFFFAOYSA-N 0 1 479.783 5.464 40 0 JKABMN CCOc1ccc(N2C(=O)C(=Cc3cc(Cl)c(O[C@H](C)CC)c(OC)c3)C(=O)NC2=S)cc1 ZINC000033788881 569635118 /nfs/dbraw/zinc/63/51/18/569635118.db2.gz OPTLRXLSANMUTK-XWAFYUISSA-N 0 1 488.993 5.596 40 0 JKABMN CN1CCN(c2ccccc2NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)CC1 ZINC000033793025 569635190 /nfs/dbraw/zinc/63/51/90/569635190.db2.gz AEHBZNHLQOOAEL-UHFFFAOYSA-N 0 1 489.428 5.132 40 0 JKABMN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(NCc1ccccc1)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000034387968 569640090 /nfs/dbraw/zinc/64/00/90/569640090.db2.gz IHRMUTXAWUQZGN-VDWZHZJQSA-N 0 1 463.643 7.839 40 0 JKABMN CCc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccccc4C(C)C)c3C)C(=O)NC2=S)cc1 ZINC000034689564 569645562 /nfs/dbraw/zinc/64/55/62/569645562.db2.gz ZFHTZXYAODPWNP-LFVJCYFKSA-N 0 1 471.626 6.452 40 0 JKABMN C=CCc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(OC)c1OCc1ccccc1 ZINC000034703242 569649324 /nfs/dbraw/zinc/64/93/24/569649324.db2.gz LTWBZEGWKPRRMD-HYARGMPZSA-N 0 1 472.497 5.098 40 0 JKABMN 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JKABMN CCC[C@H](c1nnnn1C1CCCCC1)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013499579 555433007 /nfs/dbraw/zinc/43/30/07/555433007.db2.gz QTFSLPJJGMZTIX-AREMUKBSSA-N 0 1 476.669 5.923 40 0 JKABMN CCC[C@@H](c1nnnn1Cc1ccccc1)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013499588 555433014 /nfs/dbraw/zinc/43/30/14/555433014.db2.gz OREPGGHJVJVOHO-MHZLTWQESA-N 0 1 484.648 5.466 40 0 JKABMN CCC[C@@H](c1nnnn1Cc1ccco1)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013499612 555433622 /nfs/dbraw/zinc/43/36/22/555433622.db2.gz XCHCDOYVDARMFZ-SANMLTNESA-N 0 1 488.636 5.449 40 0 JKABMN CCC[C@H](c1nnnn1C1CCCC1)N(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000013500063 555435988 /nfs/dbraw/zinc/43/59/88/555435988.db2.gz IWCMBSNSPGEBIC-XMMPIXPASA-N 0 1 462.642 5.533 40 0 JKABMN CCC[C@H](c1nnnn1Cc1ccccc1)N(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000013500067 555436008 /nfs/dbraw/zinc/43/60/08/555436008.db2.gz VGCZUQBHJISRME-AREMUKBSSA-N 0 1 484.648 5.466 40 0 JKABMN CCC[C@H](c1nnnn1Cc1ccccc1)N(Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013500101 555436348 /nfs/dbraw/zinc/43/63/48/555436348.db2.gz HDGCRARFALZVGM-RUZDIDTESA-N 0 1 470.621 5.157 40 0 JKABMN CCC[C@H](c1nnnn1Cc1ccco1)N(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCCC1 ZINC000013500087 555436482 /nfs/dbraw/zinc/43/64/82/555436482.db2.gz WVQMSPHAHCDTST-RUZDIDTESA-N 0 1 488.636 5.449 40 0 JKABMN CCC[C@@H](c1nnnn1C1CCCCC1)N(Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013500100 555436503 /nfs/dbraw/zinc/43/65/03/555436503.db2.gz HURNFULKJYIVMN-DEOSSOPVSA-N 0 1 462.642 5.614 40 0 JKABMN CCC[C@H](c1nnnn1Cc1ccccc1)N(Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013500139 555436876 /nfs/dbraw/zinc/43/68/76/555436876.db2.gz CEFOOYDUMCAZDK-AREMUKBSSA-N 0 1 470.621 5.157 40 0 JKABMN CCC[C@@H](c1nnnn1C(C)(C)CC)N(Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013500134 555436919 /nfs/dbraw/zinc/43/69/19/555436919.db2.gz ULLGJPASRCRJCR-QHCPKHFHSA-N 0 1 450.631 5.254 40 0 JKABMN CCC[C@@H](c1nnnn1C(C)(C)CC)N(Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1 ZINC000013500154 555437209 /nfs/dbraw/zinc/43/72/09/555437209.db2.gz CRCXWDDVWGFBPL-DEOSSOPVSA-N 0 1 464.658 5.644 40 0 JKABMN CCOc1ccc2[nH]c(=O)c(CN([C@@H](c3nnnn3C(C)(C)C)C(C)C)C3CCCCC3)cc2c1 ZINC000013500286 555438634 /nfs/dbraw/zinc/43/86/34/555438634.db2.gz VACXHENVIODUJB-XMMPIXPASA-N 0 1 480.657 5.200 40 0 JKABMN Cc1ccc2[nH]c(=O)c(CN([C@@H](c3nnnn3CCc3ccccc3)C(C)C)C3CCCC3)cc2c1 ZINC000013500640 555442079 /nfs/dbraw/zinc/44/20/79/555442079.db2.gz PHIBWJWLRNKNJL-HHHXNRCGSA-N 0 1 484.648 5.208 40 0 JKABMN CCC(C)(C)n1nnnc1[C@@H](C(C)C)N(Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013500624 555442203 /nfs/dbraw/zinc/44/22/03/555442203.db2.gz QSYDFCOSGYKCGR-HSZRJFAPSA-N 0 1 450.631 5.110 40 0 JKABMN CCOc1ccc2[nH]c(=O)c(CN([C@H](c3nnnn3C3CCCC3)C(C)C)C3CCCC3)cc2c1 ZINC000013500664 555442559 /nfs/dbraw/zinc/44/25/59/555442559.db2.gz WWFACJMEFSRVPV-VWLOTQADSA-N 0 1 478.641 5.170 40 0 JKABMN CCOc1ccc2[nH]c(=O)c(CN([C@@H](c3nnnn3C(C)(C)CC)C(C)C)C3CCCCC3)cc2c1 ZINC000013500675 555442586 /nfs/dbraw/zinc/44/25/86/555442586.db2.gz QJYLVGLAHQJXDL-RUZDIDTESA-N 0 1 494.684 5.590 40 0 JKABMN CC[C@H](c1nnnn1C1CCCCC1)N(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCCC1 ZINC000013501086 555447144 /nfs/dbraw/zinc/44/71/44/555447144.db2.gz RGLUMENVEXNIGX-RUZDIDTESA-N 0 1 476.669 5.923 40 0 JKABMN CC[C@@H](c1nnnn1C1CCCCC1)N(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCCC1 ZINC000013501087 555447358 /nfs/dbraw/zinc/44/73/58/555447358.db2.gz RGLUMENVEXNIGX-VWLOTQADSA-N 0 1 476.669 5.923 40 0 JKABMN CC[C@@H](c1nnnn1CCc1ccccc1)N(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCCC1 ZINC000013501095 555447363 /nfs/dbraw/zinc/44/73/63/555447363.db2.gz CVODEOFKUNAGRZ-MHZLTWQESA-N 0 1 498.675 5.660 40 0 JKABMN CC[C@@H](c1nnnn1C1CCCCC1)N(Cc1cc2cccc(C)c2[nH]c1=O)C1CCCCC1 ZINC000013501123 555447677 /nfs/dbraw/zinc/44/76/77/555447677.db2.gz FTGGCISFBUTVQQ-DEOSSOPVSA-N 0 1 462.642 5.614 40 0 JKABMN CC[C@H](c1nnnn1Cc1ccccc1)N(Cc1cc2cccc(C)c2[nH]c1=O)C1CCCCC1 ZINC000013501124 555447699 /nfs/dbraw/zinc/44/76/99/555447699.db2.gz XXLPMIJNBQNXGF-RUZDIDTESA-N 0 1 470.621 5.157 40 0 JKABMN CC[C@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1cc2cccc(C)c2[nH]c1=O)C1CCCCC1 ZINC000013501126 555447735 /nfs/dbraw/zinc/44/77/35/555447735.db2.gz JBNLADRCUHHQJP-RUZDIDTESA-N 0 1 488.611 5.296 40 0 JKABMN CC[C@@H](c1nnnn1Cc1ccccc1)N(Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1 ZINC000013501163 555448227 /nfs/dbraw/zinc/44/82/27/555448227.db2.gz LXRAUNPQWLIIQE-SANMLTNESA-N 0 1 470.621 5.157 40 0 JKABMN CC[C@@H](c1nnnn1C(C)(C)CC)N(Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1 ZINC000013501157 555448285 /nfs/dbraw/zinc/44/82/85/555448285.db2.gz LIXCSNAIIMCRGG-QHCPKHFHSA-N 0 1 450.631 5.254 40 0 JKABMN Cc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)C3(c4nnnn4C4CCCC4)CCCC3)cc2c1 ZINC000013501229 555448744 /nfs/dbraw/zinc/44/87/44/555448744.db2.gz SIIGDTDWNLXJCC-UHFFFAOYSA-N 0 1 496.659 5.452 40 0 JKABMN CCCC[C@@H](CC)[C@@H]1c2c(O)n(-c3ccc(OCCC)cc3)c(O)c2ON1c1ccccc1 ZINC000013513363 555484277 /nfs/dbraw/zinc/48/42/77/555484277.db2.gz VEZFHJVGNZZXTO-KXMWUTRISA-N 0 1 450.579 5.370 40 0 JKABMN CN(CC(=O)Nc1nc(-c2ccc3c(c2)CCN3C(=O)CC(C)(C)C)cs1)C1CCCCC1 ZINC000013565773 555502852 /nfs/dbraw/zinc/50/28/52/555502852.db2.gz HHLCRAVIPMSFTI-UHFFFAOYSA-N 0 1 468.667 5.338 40 0 JKABMN COc1ccc(Cl)cc1-c1n[nH]c(SCc2nnc(-c3ccc(C(C)(C)C)cc3)o2)n1 ZINC000019929208 555545705 /nfs/dbraw/zinc/54/57/05/555545705.db2.gz BIDBDILAJICHCU-UHFFFAOYSA-N 0 1 455.971 5.774 40 0 JKABMN O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000019937744 555554239 /nfs/dbraw/zinc/55/42/39/555554239.db2.gz AJMMZKPGZCZYFY-UHFFFAOYSA-N 0 1 475.776 5.309 40 0 JKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(C(C)(C)C)cc3)ccc2Cl)cc1C ZINC000013669973 555560308 /nfs/dbraw/zinc/56/03/08/555560308.db2.gz MEVMLMPSKALNES-LJQANCHMSA-N 0 1 499.076 6.546 40 0 JKABMN CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3C)c2)c1 ZINC000013670222 555560740 /nfs/dbraw/zinc/56/07/40/555560740.db2.gz OMOJPMVXDWXSIL-UHFFFAOYSA-N 0 1 486.977 5.187 40 0 JKABMN CCOc1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)cc1 ZINC000013671787 555563127 /nfs/dbraw/zinc/56/31/27/555563127.db2.gz PRCNMNCKDPZHEZ-UHFFFAOYSA-N 0 1 472.994 5.086 40 0 JKABMN COc1cccc([C@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)c1 ZINC000013750890 555609572 /nfs/dbraw/zinc/60/95/72/555609572.db2.gz COLRNCLXYGUNNM-FSSWDIPSSA-N 0 1 469.324 5.053 40 0 JKABMN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N[C@@H]2CCCc3ccccc32)ccc1Cl ZINC000020035276 555609915 /nfs/dbraw/zinc/60/99/15/555609915.db2.gz GPCRKGLGSFBJRO-JOCHJYFZSA-N 0 1 454.979 5.257 40 0 JKABMN CCOc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3C)c2)cc1 ZINC000020035616 555610170 /nfs/dbraw/zinc/61/01/70/555610170.db2.gz KDJUQNIWWXDCOD-KRWDZBQOSA-N 0 1 472.994 5.339 40 0 JKABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N[C@@H]3CCCc4ccccc43)ccc2Cl)c1 ZINC000020037271 555611525 /nfs/dbraw/zinc/61/15/25/555611525.db2.gz TVYJINFLISHNEM-JOCHJYFZSA-N 0 1 454.979 5.257 40 0 JKABMN Cc1ccc(CN(C)C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)cc1 ZINC000020045183 555616211 /nfs/dbraw/zinc/61/62/11/555616211.db2.gz FLPQEJUQPWNAQB-UHFFFAOYSA-N 0 1 456.995 5.338 40 0 JKABMN Cc1cccc(CCCNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3)c2)c1 ZINC000010110759 555620768 /nfs/dbraw/zinc/62/07/68/555620768.db2.gz CZEQOBNDYYBBPT-UHFFFAOYSA-N 0 1 456.995 5.120 40 0 JKABMN Cc1ccccc1[C@H]1c2c(O)n(-c3cccc(C(F)(F)F)c3)c(O)c2ON1c1ccccc1 ZINC000013807559 555624057 /nfs/dbraw/zinc/62/40/57/555624057.db2.gz RBBCIPDUDXIEHR-FSSWDIPSSA-N 0 1 452.432 5.065 40 0 JKABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCSCc3ccccc3F)ccc2Cl)c1 ZINC000010112059 555624226 /nfs/dbraw/zinc/62/42/26/555624226.db2.gz MNBQIALBUWMOQU-UHFFFAOYSA-N 0 1 493.025 5.252 40 0 JKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(C(C)(C)C)cc3)ccc2Cl)cc1 ZINC000010112010 555624300 /nfs/dbraw/zinc/62/43/00/555624300.db2.gz KWYYORPKXYUAET-GOSISDBHSA-N 0 1 485.049 6.238 40 0 JKABMN CCOC(=O)c1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)c1 ZINC000010112257 555624940 /nfs/dbraw/zinc/62/49/40/555624940.db2.gz QTMBFWPEZVKMCG-UHFFFAOYSA-N 0 1 486.977 5.187 40 0 JKABMN CCOC(=O)c1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3C)c2)c1 ZINC000010112256 555625009 /nfs/dbraw/zinc/62/50/09/555625009.db2.gz FJKJSFHWFFMABE-UHFFFAOYSA-N 0 1 486.977 5.187 40 0 JKABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N(C)Cc3ccc(Cl)cc3)ccc2Cl)c1C ZINC000020106323 555639977 /nfs/dbraw/zinc/63/99/77/555639977.db2.gz XAUZICYQILOEFD-UHFFFAOYSA-N 0 1 477.413 5.683 40 0 JKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)Cc3ccc(Cl)cc3)ccc2Cl)c(C)c1 ZINC000020109041 555644573 /nfs/dbraw/zinc/64/45/73/555644573.db2.gz LJPWRJMXVJJKFL-UHFFFAOYSA-N 0 1 477.413 5.683 40 0 JKABMN Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000010331480 555688089 /nfs/dbraw/zinc/68/80/89/555688089.db2.gz YHIWKEYPTDZJFU-UHFFFAOYSA-N 0 1 498.048 5.687 40 0 JKABMN Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000010334239 555689439 /nfs/dbraw/zinc/68/94/39/555689439.db2.gz 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Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccccc3Cl)ccc2Cl)c(C)c1 ZINC000014153511 555709658 /nfs/dbraw/zinc/70/96/58/555709658.db2.gz KWRYEKNPUQXFBC-UHFFFAOYSA-N 0 1 463.386 5.341 40 0 JKABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(Cl)ccc3Cl)ccc2Cl)c1 ZINC000014153812 555710343 /nfs/dbraw/zinc/71/03/43/555710343.db2.gz SVVWJTUTMJGSPR-UHFFFAOYSA-N 0 1 469.777 6.008 40 0 JKABMN O=C(NCCSCc1ccc(Cl)cc1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000014154046 555710729 /nfs/dbraw/zinc/71/07/29/555710729.db2.gz FOOWIQDLGOKPNO-UHFFFAOYSA-N 0 1 495.453 5.457 40 0 JKABMN O=C(NCCSCc1cccc(Cl)c1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000014153944 555710739 /nfs/dbraw/zinc/71/07/39/555710739.db2.gz FAONKVSDMMCRRI-UHFFFAOYSA-N 0 1 495.453 5.457 40 0 JKABMN CCc1cccc(C)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2C)c1 ZINC000014154182 555710951 /nfs/dbraw/zinc/71/09/51/555710951.db2.gz SYEUJCZGJCJRIO-UHFFFAOYSA-N 0 1 456.995 5.881 40 0 JKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(F)c(F)c3)ccc2Cl)c(C)c1 ZINC000014154553 555711846 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JKABMN CSc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(C)ccc2C)c1 ZINC000014155554 555713988 /nfs/dbraw/zinc/71/39/88/555713988.db2.gz WQAXGMPHAFADFK-UHFFFAOYSA-N 0 1 461.008 5.732 40 0 JKABMN Cc1nnc(SCc2ccc(NC(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)o3)cc2)[nH]1 ZINC000020293619 555762207 /nfs/dbraw/zinc/76/22/07/555762207.db2.gz PHGCRFDNMAVCJM-UHFFFAOYSA-N 0 1 459.358 6.225 40 0 JKABMN Cc1n[nH]c(SCc2ccc(NC(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)o3)cc2)n1 ZINC000020293619 555762213 /nfs/dbraw/zinc/76/22/13/555762213.db2.gz PHGCRFDNMAVCJM-UHFFFAOYSA-N 0 1 459.358 6.225 40 0 JKABMN CCOc1ccc2nc(NC(=O)CN3CCN(C(c4ccccc4)c4ccccc4)CC3)sc2c1 ZINC000020374955 555787437 /nfs/dbraw/zinc/78/74/37/555787437.db2.gz HYJAXCKUYDADFH-UHFFFAOYSA-N 0 1 486.641 5.041 40 0 JKABMN O=C(c1c[nH]c2ccccc12)[C@H](O)[C@@H](c1ccc(Cl)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000015017734 555858986 /nfs/dbraw/zinc/85/89/86/555858986.db2.gz RSNWAQHUGWKRKE-XRKRLSELSA-N 0 1 473.016 6.061 40 0 JKABMN CCCCc1ccc(N=C2C[C@H](c3ccc(OC)cc3OC)N(c3ccc(CCCC)cc3)C2=O)cc1 ZINC000015304708 555894687 /nfs/dbraw/zinc/89/46/87/555894687.db2.gz VMFXMGJRAQQCEA-SSEXGKCCSA-N 0 1 498.667 7.473 40 0 JKABMN CCCCc1ccc(N=C2C[C@@H](c3ccc(OC)cc3OC)N(c3ccc(CCCC)cc3)C2=O)cc1 ZINC000015304703 555894720 /nfs/dbraw/zinc/89/47/20/555894720.db2.gz VMFXMGJRAQQCEA-PMERELPUSA-N 0 1 498.667 7.473 40 0 JKABMN Cc1ccc(NC(=O)N2Cc3[nH]cnc3C[C@H]2c2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1 ZINC000015675780 555934607 /nfs/dbraw/zinc/93/46/07/555934607.db2.gz KAHYUKPCSCRQRZ-IBGZPJMESA-N 0 1 468.439 5.118 40 0 biogenic,in-vitro JKABMN O=C(Nc1ccc(Cl)cc1)N1Cc2[nH]cnc2C[C@H]1c1nc(-c2ccc(F)c(Cl)c2)no1 ZINC000015707302 555952826 /nfs/dbraw/zinc/95/28/26/555952826.db2.gz LISGWRDXUUHFJM-SFHVURJKSA-N 0 1 473.295 5.237 40 0 biogenic,in-vitro JKABMN Cc1cccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3C(=O)c3ccc(-c4ccccc4)cc3)n2)c1 ZINC000012530134 556000002 /nfs/dbraw/zinc/00/00/02/556000002.db2.gz SHIJDEYILNFNIX-VWLOTQADSA-N 0 1 461.525 5.375 40 0 biogenic,in-vitro JKABMN 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ZINC000013063837 556261077 /nfs/dbraw/zinc/26/10/77/556261077.db2.gz YANHFWHGEKOUJV-VWLOTQADSA-N 0 1 462.642 5.614 40 0 JKABMN CC[C@@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013063942 556261223 /nfs/dbraw/zinc/26/12/23/556261223.db2.gz GNRDNNGCLWBTJR-SANMLTNESA-N 0 1 488.611 5.296 40 0 JKABMN CC[C@H](c1nnnn1CCc1ccccc1)N(Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013063975 556261385 /nfs/dbraw/zinc/26/13/85/556261385.db2.gz VQIXMRAHPDLSRR-HHHXNRCGSA-N 0 1 484.648 5.352 40 0 JKABMN CC(C)(C)C1CCC(OC[C@H](O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000026781427 556262403 /nfs/dbraw/zinc/26/24/03/556262403.db2.gz ZCLCFQGKMMOAAQ-QBYNGQAISA-N 0 1 464.694 5.376 40 0 JKABMN Cc1cc(OC[C@H](O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc(C)c1Cl ZINC000026781409 556262558 /nfs/dbraw/zinc/26/25/58/556262558.db2.gz SNFWKNCDNJHFQI-RUZDIDTESA-N 0 1 465.037 5.104 40 0 JKABMN CC[C@@H](c1nnnn1C(C)(C)CC)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013064799 556262732 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WEGJRDMRYLTXBF-QHCPKHFHSA-N 0 1 498.421 5.460 40 0 JKABMN Cc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3C)c2)c(C)c1 ZINC000030751252 556371283 /nfs/dbraw/zinc/37/12/83/556371283.db2.gz FPRFTWJWRBKKPO-IBGZPJMESA-N 0 1 471.022 5.865 40 0 JKABMN CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2C)c1)c1ccc(OC)cc1 ZINC000030852742 556378123 /nfs/dbraw/zinc/37/81/23/556378123.db2.gz CWNCDOCDVOKNJH-JOCHJYFZSA-N 0 1 487.021 5.647 40 0 JKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(F)cc3)ccc2Cl)cc1C ZINC000030857681 556380611 /nfs/dbraw/zinc/38/06/11/556380611.db2.gz HPQZZTWDRGVJSW-INIZCTEOSA-N 0 1 460.958 5.388 40 0 JKABMN CCOc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)cc1 ZINC000030860049 556381469 /nfs/dbraw/zinc/38/14/69/556381469.db2.gz ROJHXAQASPZUHQ-GOSISDBHSA-N 0 1 487.021 5.647 40 0 JKABMN Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(O)c(Br)c4)nc3c2)cc1 ZINC000032116378 556423245 /nfs/dbraw/zinc/42/32/45/556423245.db2.gz BIPADTNOMQYYPM-UHFFFAOYSA-N 0 1 482.359 5.398 40 0 JKABMN Cc1cc(Cl)ccc1OCC(=O)Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1 ZINC000032116587 556424306 /nfs/dbraw/zinc/42/43/06/556424306.db2.gz XOYBVLGTRLKOQK-UHFFFAOYSA-N 0 1 487.737 5.942 40 0 JKABMN O=C(Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1)C(c1ccccc1)c1ccccc1 ZINC000032116665 556424437 /nfs/dbraw/zinc/42/44/37/556424437.db2.gz PSAAKCPIMQIAFG-UHFFFAOYSA-N 0 1 499.364 6.734 40 0 JKABMN CC[C@H](C)Oc1ccc(C(=O)Nc2ccc3oc(-c4ccc(O)c(Br)c4)nc3c2)cc1 ZINC000032116633 556424465 /nfs/dbraw/zinc/42/44/65/556424465.db2.gz NLOUANFCCNPLLI-AWEZNQCLSA-N 0 1 481.346 6.393 40 0 JKABMN CC(C)c1ccc(C(=O)Nc2ccc3oc(-c4ccc(O)c(Br)c4)nc3c2)cc1 ZINC000032116690 556424823 /nfs/dbraw/zinc/42/48/23/556424823.db2.gz FDEJKPPPCZSYET-UHFFFAOYSA-N 0 1 451.320 6.339 40 0 JKABMN Cc1ccc(C(=O)NC(=S)Nc2cc(Br)c(O)c(Br)c2)c(Cl)c1 ZINC000032116711 556424890 /nfs/dbraw/zinc/42/48/90/556424890.db2.gz TUXCJKYOCSADAZ-UHFFFAOYSA-N 0 1 478.593 5.006 40 0 JKABMN O=C(Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1)c1ccc(Cl)c(Cl)c1 ZINC000032116725 556425094 /nfs/dbraw/zinc/42/50/94/556425094.db2.gz ICSVNVQXRIDBAO-UHFFFAOYSA-N 0 1 478.129 6.522 40 0 JKABMN Cc1cccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)[C@@H]4CCCC[C@@H]4C(=O)[O-])C=C3C)[nH]c21 ZINC000225399214 560043635 /nfs/dbraw/zinc/04/36/35/560043635.db2.gz KLXLHOCNHOKFLY-HPAIXVDQSA-N 0 1 465.638 5.276 40 0 biogenic,in-vitro JKABMN O[C@H]1CC[C@@H](Cc2cc(COc3ccccc3)on2)O[C@@H]1CN(Cc1ccccc1)Cc1ccccc1 ZINC000077262347 560046703 /nfs/dbraw/zinc/04/67/03/560046703.db2.gz ISEDFUHZFBZBAU-LHGWWSMPSA-N 0 1 498.623 5.407 40 0 biogenic,in-vitro JKABMN CC(C)c1ccc(NC(=O)OC[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3c2cc(-c3cccs3)nn2C)cc1 ZINC000008635303 560210130 /nfs/dbraw/zinc/21/01/30/560210130.db2.gz OGKSEXUMRQAHGZ-NNWRFLSQSA-N 0 1 464.635 5.699 40 0 biogenic,in-vitro JKABMN O=C1Nc2ccccc2[C@H](c2ccccc2)N1C1CCN(Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000001554383 562921366 /nfs/dbraw/zinc/92/13/66/562921366.db2.gz IJUMFEAYOMCXAQ-VWLOTQADSA-N 0 1 481.518 6.187 40 0 in-man JKABMN 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CCC[C@@H](c1nnnn1C1CCCC1)N(Cc1cc2cc(CC)ccc2[nH]c1=O)C1CCCC1 ZINC000013499242 555429566 /nfs/dbraw/zinc/42/95/66/555429566.db2.gz WNMRAPLZTZTVIN-VWLOTQADSA-N 0 1 462.642 5.478 40 0 JKABMN CCC[C@@H](c1nnnn1C1CCCCC1)N(Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013499298 555429777 /nfs/dbraw/zinc/42/97/77/555429777.db2.gz XOFXBZRIXINQFA-VWLOTQADSA-N 0 1 462.642 5.614 40 0 JKABMN CCC[C@H](c1nnnn1C1CCCCC1)N(Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013499295 555429807 /nfs/dbraw/zinc/42/98/07/555429807.db2.gz OARZZDPAJCJFAD-AREMUKBSSA-N 0 1 476.669 6.004 40 0 JKABMN CCC[C@H](c1nnnn1C(C)(C)C)N(Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013499271 555430006 /nfs/dbraw/zinc/43/00/06/555430006.db2.gz CWJFAIODYDIQTD-HSZRJFAPSA-N 0 1 450.631 5.254 40 0 JKABMN CCC[C@@H](c1nnnn1CCc1ccccc1)N(Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013499336 555430976 /nfs/dbraw/zinc/43/09/76/555430976.db2.gz ZZBIORQIWJCENV-NDEPHWFRSA-N 0 1 498.675 5.742 40 0 JKABMN CCC[C@H](c1nnnn1C1CCCCC1)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1 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5.470 40 0 JKABMN CC[C@@H](c1nnnn1C(C)(C)CC)N(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCCC1 ZINC000013501083 555447170 /nfs/dbraw/zinc/44/71/70/555447170.db2.gz GZZGJMJUZOIQJE-QHCPKHFHSA-N 0 1 464.658 5.563 40 0 JKABMN CC[C@@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1cc2cccc(C)c2[nH]c1=O)C1CCCCC1 ZINC000013501127 555447728 /nfs/dbraw/zinc/44/77/28/555447728.db2.gz JBNLADRCUHHQJP-VWLOTQADSA-N 0 1 488.611 5.296 40 0 JKABMN CC[C@@H](c1nnnn1CCc1ccccc1)N(Cc1cc2cccc(C)c2[nH]c1=O)C1CCCCC1 ZINC000013501133 555447804 /nfs/dbraw/zinc/44/78/04/555447804.db2.gz HVAKWGMSCMYBTQ-SANMLTNESA-N 0 1 484.648 5.352 40 0 JKABMN Cc1cccc2cc(CN(CCc3ccccc3)C3(c4nnnn4C4CCCC4)CCCC3)c(=O)[nH]c12 ZINC000013501228 555448491 /nfs/dbraw/zinc/44/84/91/555448491.db2.gz LOALPTINUCTJBJ-UHFFFAOYSA-N 0 1 496.659 5.452 40 0 JKABMN Cc1ccc([C@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000013511946 555483528 /nfs/dbraw/zinc/48/35/28/555483528.db2.gz UQKHXXIFTXJVDW-FSSWDIPSSA-N 0 1 453.325 5.353 40 0 JKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(OC(C)C)cc3)ccc2Cl)cc1 ZINC000019934106 555551303 /nfs/dbraw/zinc/55/13/03/555551303.db2.gz PRFHVTVCXMMABK-UHFFFAOYSA-N 0 1 472.994 5.166 40 0 JKABMN Cc1ccc(N2C(=O)[C@@H]3[C@H](c4cccc5ccccc54)N(c4ccccc4)O[C@@H]3C2=O)cc1Cl ZINC000013648632 555553023 /nfs/dbraw/zinc/55/30/23/555553023.db2.gz KGDAWQUMZNCGLS-ZNZIZOMTSA-N 0 1 468.940 5.853 40 0 JKABMN CCOc1ccccc1CCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C)c2)c1 ZINC000013669659 555559550 /nfs/dbraw/zinc/55/95/50/555559550.db2.gz QTXMZLIJBPEQEB-UHFFFAOYSA-N 0 1 487.021 5.211 40 0 JKABMN CCOC(=O)c1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)cc3)c2)c1C ZINC000013671836 555563500 /nfs/dbraw/zinc/56/35/00/555563500.db2.gz XLOCPHCBOCAPLW-UHFFFAOYSA-N 0 1 486.977 5.187 40 0 JKABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCCc3ccccc3)ccc2Cl)c1C ZINC000013674048 555565445 /nfs/dbraw/zinc/56/54/45/555565445.db2.gz HYVBLQBWQKGHPQ-UHFFFAOYSA-N 0 1 456.995 5.120 40 0 JKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCc3cccc(C)c3)ccc2Cl)cc1 ZINC000013674777 555566087 /nfs/dbraw/zinc/56/60/87/555566087.db2.gz OYLDSBYEGCDZPG-UHFFFAOYSA-N 0 1 456.995 5.120 40 0 JKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3c4ccccc4C[C@@H]3C)ccc2Cl)cc1C ZINC000013676622 555567457 /nfs/dbraw/zinc/56/74/57/555567457.db2.gz GHAMEKHXRQQESV-KRWDZBQOSA-N 0 1 454.979 5.349 40 0 JKABMN CC[C@H](C)Oc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc1OC ZINC000009972408 555571662 /nfs/dbraw/zinc/57/16/62/555571662.db2.gz FZPHFDIZKZVTSC-WIJRQFRKSA-N 0 1 479.385 5.011 40 0 JKABMN Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cc5ccccc5nc4Cl)[C@@H]3C2=O)cc1 ZINC000013751373 555609556 /nfs/dbraw/zinc/60/95/56/555609556.db2.gz ZQMYTSYIOLXNNG-HJOGWXRNSA-N 0 1 469.928 5.248 40 0 JKABMN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N[C@H]2CCCc3ccccc32)ccc1Cl ZINC000020035280 555609906 /nfs/dbraw/zinc/60/99/06/555609906.db2.gz GPCRKGLGSFBJRO-QFIPXVFZSA-N 0 1 454.979 5.257 40 0 JKABMN COc1ccc([C@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)c(OC)c1 ZINC000013757701 555611201 /nfs/dbraw/zinc/61/12/01/555611201.db2.gz LSOWSSNQULASJV-VJBWXMMDSA-N 0 1 499.350 5.062 40 0 JKABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N[C@H]3CCCc4ccccc43)ccc2Cl)c1 ZINC000020037275 555611603 /nfs/dbraw/zinc/61/16/03/555611603.db2.gz TVYJINFLISHNEM-QFIPXVFZSA-N 0 1 454.979 5.257 40 0 JKABMN COc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)cc1 ZINC000020042526 555614385 /nfs/dbraw/zinc/61/43/85/555614385.db2.gz RHYSGOQCWLFOEE-KRWDZBQOSA-N 0 1 472.994 5.257 40 0 JKABMN CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000020044206 555615352 /nfs/dbraw/zinc/61/53/52/555615352.db2.gz QNKSIQISDANVIR-FQEVSTJZSA-N 0 1 461.996 5.045 40 0 JKABMN CCCOc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(CC)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OC ZINC000013787649 555619759 /nfs/dbraw/zinc/61/97/59/555619759.db2.gz XYZIWRRLWQCUOS-QKDODKLFSA-N 0 1 486.568 5.098 40 0 JKABMN Cc1ccc(CCCNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)cc1 ZINC000010110518 555620597 /nfs/dbraw/zinc/62/05/97/555620597.db2.gz 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CC(C)N1CCN(c2ccc(C(=O)c3c4ccc(O)cc4sc3-c3ccc(O)cc3)cc2)CC1 ZINC000013831249 555630313 /nfs/dbraw/zinc/63/03/13/555630313.db2.gz LQEOPHGPHCWOAC-UHFFFAOYSA-N 0 1 472.610 5.741 40 0 in-vitro JKABMN Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000010334479 555689855 /nfs/dbraw/zinc/68/98/55/555689855.db2.gz BVTQAEWUXOKCDV-UHFFFAOYSA-N 0 1 484.021 5.297 40 0 JKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCSC(C)(C)C)ccc2Cl)c(C)c1 ZINC000014153315 555709053 /nfs/dbraw/zinc/70/90/53/555709053.db2.gz ZGHZMKYBGIOHDG-UHFFFAOYSA-N 0 1 455.045 5.019 40 0 JKABMN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NCCSc3ccccc3)ccc2Cl)c1 ZINC000014153247 555709075 /nfs/dbraw/zinc/70/90/75/555709075.db2.gz XHTLFRLSMMVGHR-UHFFFAOYSA-N 0 1 475.035 5.280 40 0 JKABMN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NCCSCc3ccccc3)ccc2Cl)c1 ZINC000014153589 555709740 /nfs/dbraw/zinc/70/97/40/555709740.db2.gz IGJGQXJVCZMKLH-UHFFFAOYSA-N 0 1 489.062 5.421 40 0 JKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCSCc3cccc(C)c3)ccc2Cl)cc1 ZINC000014154082 555710997 /nfs/dbraw/zinc/71/09/97/555710997.db2.gz VRBMDJNUCFALOI-UHFFFAOYSA-N 0 1 489.062 5.421 40 0 JKABMN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCc3ccc(Cl)cc3)ccc2Cl)c1 ZINC000014154515 555711862 /nfs/dbraw/zinc/71/18/62/555711862.db2.gz RVYRIYYCTQCRQF-UHFFFAOYSA-N 0 1 463.386 5.341 40 0 JKABMN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc2Cl)c1 ZINC000014154859 555712422 /nfs/dbraw/zinc/71/24/22/555712422.db2.gz SZASNFPCQAODHB-UHFFFAOYSA-N 0 1 483.804 6.317 40 0 JKABMN O=C(Nc1cccc(Cl)c1Cl)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000014154831 555712471 /nfs/dbraw/zinc/71/24/71/555712471.db2.gz KFMBELNOLHHRPA-UHFFFAOYSA-N 0 1 455.750 5.700 40 0 JKABMN CCOc1cc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2O)cc(OCC)c1OCC ZINC000014270335 555762355 /nfs/dbraw/zinc/76/23/55/555762355.db2.gz NPWJHYUYGFGVAB-UHFFFAOYSA-N 0 1 473.378 5.022 40 0 JKABMN CN1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4cc(Cl)cc(Cl)c4)o3)cc2)CC1 ZINC000014273665 555774325 /nfs/dbraw/zinc/77/43/25/555774325.db2.gz XCLMYDJGZWIZCN-VQHVLOKHSA-N 0 1 456.373 5.657 40 0 JKABMN CC(C)[C@H]1CC[C@H](C)C[C@H]1O[P@](=O)(O[C@H]1C[C@@H](C)CC[C@H]1C(C)C)[C@@H](O)c1ccccc1F ZINC000011852563 555835684 /nfs/dbraw/zinc/83/56/84/555835684.db2.gz BTMZUQIPLOYBMO-VCKVIUPDSA-N 0 1 482.617 7.965 40 0 JKABMN CC(C)[C@H]1CC[C@H](C)C[C@H]1O[P@@](=O)(O[C@H]1C[C@H](C)CC[C@@H]1C(C)C)[C@@H](O)c1cccnc1 ZINC000011852558 555835761 /nfs/dbraw/zinc/83/57/61/555835761.db2.gz QZJIDEFRERTWOZ-UJZQCXRDSA-N 0 1 465.615 7.220 40 0 JKABMN Cc1ccc([C@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccc(Cl)cc2)cc1 ZINC000011859579 555838859 /nfs/dbraw/zinc/83/88/59/555838859.db2.gz SCDMWIVARPGQQM-FSSWDIPSSA-N 0 1 497.776 5.462 40 0 JKABMN CCOC(=O)C1CCN([C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)c2ccccc2)CC1 ZINC000015441015 555909192 /nfs/dbraw/zinc/90/91/92/555909192.db2.gz XXZZIKOYNHEZFJ-RUZDIDTESA-N 0 1 476.642 5.982 40 0 JKABMN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3cc(Cl)cc(Cl)c3O)o2)cc1Cl ZINC000022738954 555948470 /nfs/dbraw/zinc/94/84/70/555948470.db2.gz WCMZXSBGWSINPS-FNORWQNLSA-N 0 1 481.788 6.447 40 0 JKABMN Cc1ccc(-c2csc(NC(=O)CN3CCN(C(c4ccccc4)c4ccccc4)CC3)n2)cc1 ZINC000022740037 555948924 /nfs/dbraw/zinc/94/89/24/555948924.db2.gz DXYXSPHJQPFPJS-UHFFFAOYSA-N 0 1 482.653 5.464 40 0 JKABMN CCOc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)N2CCN(CC)CC2)cc1 ZINC000023292169 556038293 /nfs/dbraw/zinc/03/82/93/556038293.db2.gz CLSQDBSQSPLLCD-SANMLTNESA-N 0 1 477.674 5.743 40 0 JKABMN CCN1CCN([C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023292180 556038366 /nfs/dbraw/zinc/03/83/66/556038366.db2.gz CZYGTXKPOCBQCR-XMMPIXPASA-N 0 1 451.611 5.483 40 0 JKABMN COc1ccc2[nH]c(SCc3ccccc3CSc3nc4ccc(OC)cc4[nH]3)nc2c1 ZINC000016227790 556130506 /nfs/dbraw/zinc/13/05/06/556130506.db2.gz NUKKXISSKGSXDX-UHFFFAOYSA-N 0 1 462.600 6.041 40 0 JKABMN CCOc1cc(CNCc2ccc3c(c2)OCO3)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000016688586 556151979 /nfs/dbraw/zinc/15/19/79/556151979.db2.gz PLABGNVLEUJIKT-UHFFFAOYSA-N 0 1 494.802 6.643 40 0 JKABMN CCOc1cc(CNCc2ccccc2Cl)cc(Br)c1OCc1ccccc1 ZINC000016688623 556152394 /nfs/dbraw/zinc/15/23/94/556152394.db2.gz YHMSNYPNQQDYSR-UHFFFAOYSA-N 0 1 460.799 6.370 40 0 JKABMN COc1cc(C)c(Br)cc1S(=O)(=O)Nc1cccc(-c2cn3cccc(C)c3n2)c1 ZINC000016780407 556159558 /nfs/dbraw/zinc/15/95/58/556159558.db2.gz XDJSEILZOUNPOM-UHFFFAOYSA-N 0 1 486.391 5.190 40 0 JKABMN CCc1ccc2[nH]c(=O)c(CN([C@@H](CC)c3nnnn3C(C)(C)CC)C3CCCCC3)cc2c1 ZINC000013034014 556232221 /nfs/dbraw/zinc/23/22/21/556232221.db2.gz JVPSOHUQVHULHK-DEOSSOPVSA-N 0 1 464.658 5.508 40 0 JKABMN CSc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1C(=O)N1CCCC1 ZINC000026115478 556245674 /nfs/dbraw/zinc/24/56/74/556245674.db2.gz OUYORUSPCHLAPF-UHFFFAOYSA-N 0 1 478.945 5.118 40 0 JKABMN CSc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1C(=O)N1CCCC1 ZINC000026115370 556245729 /nfs/dbraw/zinc/24/57/29/556245729.db2.gz GRGVKPIWAJUAQC-UHFFFAOYSA-N 0 1 468.600 5.238 40 0 JKABMN CSc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1C(=O)N1CCCCC1 ZINC000026116802 556246642 /nfs/dbraw/zinc/24/66/42/556246642.db2.gz FKWNBKZFOZUVSA-UHFFFAOYSA-N 0 1 492.972 5.508 40 0 JKABMN COc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)N2CCCCC2)c(OC)c1 ZINC000026770879 556260799 /nfs/dbraw/zinc/26/07/99/556260799.db2.gz UFGKQZNFFZXSAQ-RUZDIDTESA-N 0 1 464.631 6.210 40 0 JKABMN CC[C@H](c1nnnn1C(C)(C)CC)N(Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013063796 556261105 /nfs/dbraw/zinc/26/11/05/556261105.db2.gz NOFGDGZKAWVPNR-HSZRJFAPSA-N 0 1 450.631 5.254 40 0 JKABMN CC[C@@H](c1nnnn1C1CCCCC1)N(Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCCC1 ZINC000013064268 556261955 /nfs/dbraw/zinc/26/19/55/556261955.db2.gz FJYRZPNMYSIZMX-VWLOTQADSA-N 0 1 478.641 5.314 40 0 JKABMN CC[C@H](c1nnnn1Cc1ccccc1)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013064646 556262251 /nfs/dbraw/zinc/26/22/51/556262251.db2.gz FOJSPEQPQMDTHB-HHHXNRCGSA-N 0 1 484.648 5.466 40 0 JKABMN CC[C@@H](c1nnnn1C1CCCCC1)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013064612 556262361 /nfs/dbraw/zinc/26/23/61/556262361.db2.gz PMKCGHPYTSKRLT-SANMLTNESA-N 0 1 476.669 5.923 40 0 JKABMN CC(C)(C)c1ccccc1OC[C@H](O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000026781413 556262552 /nfs/dbraw/zinc/26/25/52/556262552.db2.gz DRIFTWKSBVXQAX-AREMUKBSSA-N 0 1 458.646 5.131 40 0 JKABMN CC[C@H](c1nnnn1C(C)(C)CC)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCCC1 ZINC000013065024 556263225 /nfs/dbraw/zinc/26/32/25/556263225.db2.gz WUEJJMHSDSEREO-HSZRJFAPSA-N 0 1 464.658 5.563 40 0 JKABMN Cc1c(C)c(NC(=O)c2ccc(Br)cc2)cc(S(=O)(=O)c2ccc(Cl)cc2)c1O ZINC000026786987 556263299 /nfs/dbraw/zinc/26/32/99/556263299.db2.gz KPYAYRMLGZLJFK-UHFFFAOYSA-N 0 1 494.794 5.510 40 0 JKABMN CC[C@@H](c1nnnn1Cc1ccccc1)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCCC1 ZINC000013065067 556263758 /nfs/dbraw/zinc/26/37/58/556263758.db2.gz JDTZUKADIUHMFB-SANMLTNESA-N 0 1 484.648 5.466 40 0 JKABMN CCCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OC ZINC000018037986 556278656 /nfs/dbraw/zinc/27/86/56/556278656.db2.gz MHVHYYNMBVRZLE-PVHODMMVSA-N 0 1 486.568 5.234 40 0 JKABMN COc1ccc([C@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000018100673 556287595 /nfs/dbraw/zinc/28/75/95/556287595.db2.gz VAWKIFVVJANQRK-FKBYEOEOSA-N 0 1 469.324 5.053 40 0 JKABMN CCc1ccc([C@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000018118240 556289824 /nfs/dbraw/zinc/28/98/24/556289824.db2.gz RSYSVVPXMQQROL-VABKMULXSA-N 0 1 467.352 5.607 40 0 JKABMN Cc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3C)c2)c(C)c1 ZINC000030751248 556371198 /nfs/dbraw/zinc/37/11/98/556371198.db2.gz FPRFTWJWRBKKPO-LJQANCHMSA-N 0 1 471.022 5.865 40 0 JKABMN CC(C)C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1)c1ccccc1 ZINC000030755908 556373217 /nfs/dbraw/zinc/37/32/17/556373217.db2.gz XCPQKFYTXNIIGT-QFIPXVFZSA-N 0 1 456.995 5.658 40 0 JKABMN CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C)c1)c1ccc(OC)cc1 ZINC000030848648 556376507 /nfs/dbraw/zinc/37/65/07/556376507.db2.gz LXIJEXDNHZQWGZ-OAQYLSRUSA-N 0 1 472.994 5.339 40 0 JKABMN CCOc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)cc1 ZINC000030860054 556381600 /nfs/dbraw/zinc/38/16/00/556381600.db2.gz ROJHXAQASPZUHQ-SFHVURJKSA-N 0 1 487.021 5.647 40 0 JKABMN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)ccc2OC)cc1 ZINC000030863118 556382581 /nfs/dbraw/zinc/38/25/81/556382581.db2.gz JVTVKNNKWAQUAH-DEOSSOPVSA-N 0 1 482.602 5.217 40 0 JKABMN Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(O)c(Br)c4)nc3c2)cc1Cl ZINC000032116362 556423320 /nfs/dbraw/zinc/42/33/20/556423320.db2.gz KBLLYZMFFZTUGN-UHFFFAOYSA-N 0 1 457.711 6.177 40 0 JKABMN O=C(CSc1ccc(Cl)cc1)Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1 ZINC000032116358 556423336 /nfs/dbraw/zinc/42/33/36/556423336.db2.gz DYCYKJMONYASEY-UHFFFAOYSA-N 0 1 489.778 6.347 40 0 JKABMN O=C(Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1)C(Cl)(Cl)Cl ZINC000032116503 556423788 /nfs/dbraw/zinc/42/37/88/556423788.db2.gz LTLNMYLBSZXSQV-UHFFFAOYSA-N 0 1 450.503 5.272 40 0 JKABMN COc1cccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(O)c(Br)c4)nc3c2)c1 ZINC000032116526 556423893 /nfs/dbraw/zinc/42/38/93/556423893.db2.gz ZNEKITVGVJDCPS-UHFFFAOYSA-N 0 1 498.358 5.098 40 0 JKABMN Cc1ccc(C(=O)NC(=S)Nc2cc(Br)c(O)c(Br)c2)cc1Cl ZINC000032116486 556423901 /nfs/dbraw/zinc/42/39/01/556423901.db2.gz NSNBNOJUDPFWRP-UHFFFAOYSA-N 0 1 478.593 5.006 40 0 JKABMN O=C(Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1)c1ccc(-c2ccccc2)cc1 ZINC000032116510 556423933 /nfs/dbraw/zinc/42/39/33/556423933.db2.gz BHBMYJDYWNFCJN-UHFFFAOYSA-N 0 1 485.337 6.882 40 0 JKABMN Cc1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(O)c(Br)c4)nc3c2)cc1 ZINC000032116586 556424179 /nfs/dbraw/zinc/42/41/79/556424179.db2.gz AVALCYTZAYDBJK-UHFFFAOYSA-N 0 1 453.292 5.289 40 0 JKABMN O=C(Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1)c1cccc(Br)c1 ZINC000032116576 556424216 /nfs/dbraw/zinc/42/42/16/556424216.db2.gz NFBCROZKBIPGNP-UHFFFAOYSA-N 0 1 488.135 5.978 40 0 JKABMN O=C(COc1ccc(Cl)cc1)Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1 ZINC000032116615 556424426 /nfs/dbraw/zinc/42/44/26/556424426.db2.gz CQRWTPYTRQXPIF-UHFFFAOYSA-N 0 1 473.710 5.634 40 0 JKABMN Cc1cc(C=C2NC(=O)NC2=O)c(C)n1-c1sc2c(c1OCC(=O)Nc1ccccc1)CCCC2 ZINC000032121261 556426050 /nfs/dbraw/zinc/42/60/50/556426050.db2.gz DCFVYJUZQMHFJL-MOSHPQCFSA-N 0 1 490.585 5.073 40 0 JKABMN CC(C)(C)c1ccc(-c2nc3c(cccc3N3CCN(Cc4ccc5nccnc5c4)CC3)[nH]2)cc1 ZINC000035923465 563121288 /nfs/dbraw/zinc/12/12/88/563121288.db2.gz AVEVJMZJJJDOCI-UHFFFAOYSA-N 0 1 476.628 5.793 40 0 in-vivo JKABMN C=CCc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000033422418 569626085 /nfs/dbraw/zinc/62/60/85/569626085.db2.gz TVCUMZSBOUQULK-HZHRSRAPSA-N 0 1 486.524 5.488 40 0 JKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(Br)c3)ccc2Cl)c(C)c1 ZINC000033547884 569627622 /nfs/dbraw/zinc/62/76/22/569627622.db2.gz UWEHMGMTHMXQCA-UHFFFAOYSA-N 0 1 493.810 5.772 40 0 JKABMN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1ccc(OCc2ccccc2F)c(Br)c1 ZINC000033562314 569627905 /nfs/dbraw/zinc/62/79/05/569627905.db2.gz ZHBLXBFJKFERFR-LICLKQGHSA-N 0 1 499.292 5.263 40 0 JKABMN CCc1ccc(N2C(=O)C(=Cc3cccn3-c3cccc(C(F)(F)F)c3)C(=O)NC2=S)cc1 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486.593 5.058 40 0 JKABMN CC[C@H](C)Oc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000009973155 555573748 /nfs/dbraw/zinc/57/37/48/555573748.db2.gz GSPSXRKQXAXBHR-RGZVIEDOSA-N 0 1 479.385 5.011 40 0 JKABMN CCOc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3C)c2)cc1 ZINC000020035612 555610128 /nfs/dbraw/zinc/61/01/28/555610128.db2.gz KDJUQNIWWXDCOD-QGZVFWFLSA-N 0 1 472.994 5.339 40 0 JKABMN COc1ccccc1CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1 ZINC000020036302 555610538 /nfs/dbraw/zinc/61/05/38/555610538.db2.gz PTSHQYOTAZRUSH-UHFFFAOYSA-N 0 1 472.994 5.038 40 0 JKABMN CCCOc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]3ON2c2ccccc2)cc1OCC ZINC000013770682 555614846 /nfs/dbraw/zinc/61/48/46/555614846.db2.gz RWOJXXMELXBCQV-PVHODMMVSA-N 0 1 486.568 5.234 40 0 JKABMN Cc1[nH]c2ccccc2c1[C@H]1c2c(O)n(-c3ccc(Cl)c(Cl)c3)c(O)c2ON1c1ccccc1 ZINC000013778648 555617729 /nfs/dbraw/zinc/61/77/29/555617729.db2.gz ZJLRIAFKGZDUFS-SGNDLWITSA-N 0 1 492.362 5.834 40 0 JKABMN Cc1ccc(CCCNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3C)c2)cc1 ZINC000010110516 555620581 /nfs/dbraw/zinc/62/05/81/555620581.db2.gz OYLHHZMIUOGRCU-UHFFFAOYSA-N 0 1 471.022 5.429 40 0 JKABMN CCCOc1ccc([C@H]2c3c(O)n(-c4cccc(F)c4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000013806301 555623742 /nfs/dbraw/zinc/62/37/42/555623742.db2.gz QELXDQHSKNAKKE-ZNZIZOMTSA-N 0 1 490.531 5.064 40 0 JKABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CSCc2ccc(Cl)cc2)cc1 ZINC000020061010 555623820 /nfs/dbraw/zinc/62/38/20/555623820.db2.gz DWOIHTWIBOPGNN-UHFFFAOYSA-N 0 1 491.034 5.330 40 0 JKABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)ccc2Cl)c1 ZINC000010112007 555624286 /nfs/dbraw/zinc/62/42/86/555624286.db2.gz ZQEFMITUFDHJCK-SFHVURJKSA-N 0 1 485.049 6.238 40 0 JKABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(C(C)(C)C)cc3)ccc2Cl)c1 ZINC000010112008 555624293 /nfs/dbraw/zinc/62/42/93/555624293.db2.gz ZQEFMITUFDHJCK-GOSISDBHSA-N 0 1 485.049 6.238 40 0 JKABMN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N3c4ccccc4C[C@@H]3C)ccc2Cl)c1 ZINC000010112468 555625633 /nfs/dbraw/zinc/62/56/33/555625633.db2.gz LCINMGNIFWOPBG-KRWDZBQOSA-N 0 1 454.979 5.349 40 0 JKABMN CCOC(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)cc3)c2)c(C)c1 ZINC000010112360 555625747 /nfs/dbraw/zinc/62/57/47/555625747.db2.gz RAOIEIXIOIZYOF-UHFFFAOYSA-N 0 1 486.977 5.187 40 0 JKABMN CCOC(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3C)c2)c(C)c1 ZINC000010112359 555625772 /nfs/dbraw/zinc/62/57/72/555625772.db2.gz UJRXDWZALHGIIF-UHFFFAOYSA-N 0 1 486.977 5.187 40 0 JKABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccccc3C(C)C)cc2)c(OC)c1 ZINC000020104087 555635960 /nfs/dbraw/zinc/63/59/60/555635960.db2.gz JGDAAPRBZWJTLH-GOSISDBHSA-N 0 1 498.601 5.034 40 0 JKABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccccc3C(C)C)cc2)c(OC)c1 ZINC000020104089 555636243 /nfs/dbraw/zinc/63/62/43/555636243.db2.gz JGDAAPRBZWJTLH-SFHVURJKSA-N 0 1 498.601 5.034 40 0 JKABMN CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)ccc2OC)cc1 ZINC000020107910 555642237 /nfs/dbraw/zinc/64/22/37/555642237.db2.gz IFXFVKRBLAYVOK-JOCHJYFZSA-N 0 1 488.993 5.254 40 0 JKABMN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccc(N4CCCC4=O)cc3)ccc2Cl)c1 ZINC000020110864 555647187 /nfs/dbraw/zinc/64/71/87/555647187.db2.gz JFOWILPLTSCDSR-UHFFFAOYSA-N 0 1 498.004 5.137 40 0 JKABMN CC(C)OC(=O)c1ccccc1NC(=O)CSc1nc(-c2ccc(Cl)cc2Cl)n[nH]1 ZINC000020195594 555695539 /nfs/dbraw/zinc/69/55/39/555695539.db2.gz JKPNAPOEVMQNKX-UHFFFAOYSA-N 0 1 465.362 5.075 40 0 JKABMN COC(=O)c1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cc(C)cc(C)c3)c2)c1C ZINC000014153364 555709448 /nfs/dbraw/zinc/70/94/48/555709448.db2.gz UMHIQXFTGLAJAK-UHFFFAOYSA-N 0 1 486.977 5.105 40 0 JKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCSc3ccc(C)cc3)ccc2Cl)cc1 ZINC000014153731 555710061 /nfs/dbraw/zinc/71/00/61/555710061.db2.gz OTTULJDVRFTUSS-UHFFFAOYSA-N 0 1 475.035 5.280 40 0 JKABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCSCc3ccccc3C)ccc2Cl)c1 ZINC000014153794 555710279 /nfs/dbraw/zinc/71/02/79/555710279.db2.gz CJLCZBZCVMWHNR-UHFFFAOYSA-N 0 1 489.062 5.421 40 0 JKABMN Cc1cc(C)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)c(C)c1 ZINC000014154054 555710682 /nfs/dbraw/zinc/71/06/82/555710682.db2.gz CWURLLMBYPCFTI-UHFFFAOYSA-N 0 1 456.995 5.935 40 0 JKABMN COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3C)c2)c1 ZINC000014153952 555710758 /nfs/dbraw/zinc/71/07/58/555710758.db2.gz MNMMWMQAPZHUPA-UHFFFAOYSA-N 0 1 493.368 5.142 40 0 JKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(Cl)ccc3Cl)ccc2Cl)c(C)c1 ZINC000014154206 555711259 /nfs/dbraw/zinc/71/12/59/555711259.db2.gz GGJVVDSGDXIXQU-UHFFFAOYSA-N 0 1 483.804 6.317 40 0 JKABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(Cl)cc3Cl)ccc2Cl)c1 ZINC000014154409 555711518 /nfs/dbraw/zinc/71/15/18/555711518.db2.gz WGXXBWYTQBFDSG-UHFFFAOYSA-N 0 1 483.804 5.686 40 0 JKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(F)cc3F)ccc2Cl)c(C)c1 ZINC000014154471 555711587 /nfs/dbraw/zinc/71/15/87/555711587.db2.gz WSZLHKIKGMIKQP-UHFFFAOYSA-N 0 1 450.894 5.288 40 0 JKABMN COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3C)c2)cc1Cl ZINC000014154730 555712280 /nfs/dbraw/zinc/71/22/80/555712280.db2.gz MNEGZTLHUUJVOC-UHFFFAOYSA-N 0 1 479.385 5.672 40 0 JKABMN COC(=O)c1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3C)c2)c1C ZINC000014155143 555713004 /nfs/dbraw/zinc/71/30/04/555713004.db2.gz CMVZSNUIZPARFM-UHFFFAOYSA-N 0 1 486.977 5.105 40 0 JKABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(Cl)cc3Cl)ccc2Cl)c1C ZINC000014155097 555713068 /nfs/dbraw/zinc/71/30/68/555713068.db2.gz SLDGWBOHZUOOMU-UHFFFAOYSA-N 0 1 497.831 5.994 40 0 JKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Br)cc3F)ccc2Cl)cc1 ZINC000014155226 555713162 /nfs/dbraw/zinc/71/31/62/555713162.db2.gz CGBAJFJQJHRAJO-UHFFFAOYSA-N 0 1 497.773 5.603 40 0 JKABMN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3C)ccc2Cl)c1 ZINC000014155266 555713392 /nfs/dbraw/zinc/71/33/92/555713392.db2.gz ZHWFODYUJVZSFN-UHFFFAOYSA-N 0 1 463.386 5.972 40 0 JKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3-c3ccccc3)ccc2Cl)c(C)c1 ZINC000014155465 555713718 /nfs/dbraw/zinc/71/37/18/555713718.db2.gz AYWYOFONRUACMF-UHFFFAOYSA-N 0 1 491.012 6.677 40 0 JKABMN O=C(Nc1cccc(Br)c1)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 ZINC000020241745 555737341 /nfs/dbraw/zinc/73/73/41/555737341.db2.gz LYVSZZRGFYRWOM-UHFFFAOYSA-N 0 1 450.380 5.024 40 0 JKABMN O=C(Nc1cccc(Br)c1)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 ZINC000020241805 555737751 /nfs/dbraw/zinc/73/77/51/555737751.db2.gz HCKJUBRDLBPUGE-UHFFFAOYSA-N 0 1 464.407 5.019 40 0 JKABMN O=C(Nc1ccccc1Br)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 ZINC000020241829 555737764 /nfs/dbraw/zinc/73/77/64/555737764.db2.gz DDWMKJXIGANRLL-UHFFFAOYSA-N 0 1 464.407 5.019 40 0 JKABMN O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1O)c1cc(Br)ccc1Cl ZINC000014270327 555762260 /nfs/dbraw/zinc/76/22/60/555762260.db2.gz MHRFONVUWRHLFB-UHFFFAOYSA-N 0 1 454.560 5.242 40 0 JKABMN CN1CCN(c2ccccc2NC(=S)NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)CC1 ZINC000014274803 555777864 /nfs/dbraw/zinc/77/78/64/555777864.db2.gz OARWQEMESGLMBL-UHFFFAOYSA-N 0 1 489.428 5.132 40 0 JKABMN CCN(CC)c1ccc(NC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)cc1S(=O)(=O)Nc1ccccc1OC ZINC000014356484 555796000 /nfs/dbraw/zinc/79/60/00/555796000.db2.gz MJQAJGZBMKPXHA-XUVXKRRUSA-N 0 1 485.650 5.107 40 0 JKABMN CSc1ccc([C@H]2c3c(O)n(-c4ccc(C(F)(F)F)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000011666687 555797123 /nfs/dbraw/zinc/79/71/23/555797123.db2.gz HAJUGEUHVOQGPR-FKBYEOEOSA-N 0 1 484.499 5.478 40 0 JKABMN CC(C)[C@H]1CC[C@H](C)C[C@H]1O[P@](=O)(O[C@H]1C[C@@H](C)CC[C@H]1C(C)C)[C@@H](O)c1cccnc1 ZINC000011852559 555835720 /nfs/dbraw/zinc/83/57/20/555835720.db2.gz QZJIDEFRERTWOZ-DSWMSDEYSA-N 0 1 465.615 7.220 40 0 JKABMN Cc1c(CSc2nc3ccc(OCc4ccccc4)cc3[nH]2)nccc1OCC(F)(F)F ZINC000022063876 555868766 /nfs/dbraw/zinc/86/87/66/555868766.db2.gz CZUOFBHOTCVYSF-UHFFFAOYSA-N 0 1 459.493 6.079 40 0 in-vitro JKABMN CCCCOc1ccc2nc(N[C@@](NC(=O)CCCC)(C(=O)OCC)C(F)(F)F)sc2c1 ZINC000015276999 555892553 /nfs/dbraw/zinc/89/25/53/555892553.db2.gz HAVGMSGQNGLWNJ-FQEVSTJZSA-N 0 1 475.533 5.015 40 0 JKABMN CCCCc1ccc(N=C2C[C@@H](c3ccc(Cl)cc3)N(c3ccc(CCCC)cc3)C2=O)cc1 ZINC000015304734 555894654 /nfs/dbraw/zinc/89/46/54/555894654.db2.gz OCCSBXJLHLLLHX-LJAQVGFWSA-N 0 1 473.060 8.109 40 0 JKABMN Cc1ccc(NC(=O)N2Cc3[nH]cnc3C[C@H]2c2nc(-c3ccc4ccccc4c3)no2)cc1 ZINC000015675948 555935401 /nfs/dbraw/zinc/93/54/01/555935401.db2.gz ZOTNYQYFKZTVLN-QHCPKHFHSA-N 0 1 450.502 5.253 40 0 biogenic,in-vitro JKABMN Cc1cccc(N2C(=O)C3=C(C2=O)C(c2ccc(Cl)cc2Cl)Nc2ccccc2S3)c1 ZINC000022578798 555939287 /nfs/dbraw/zinc/93/92/87/555939287.db2.gz XETQPAKTMLDONZ-OAQYLSRUSA-N 0 1 467.377 6.388 40 0 JKABMN CCN1CCN([C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)c2ccc(SC)cc2)CC1 ZINC000023292175 556038245 /nfs/dbraw/zinc/03/82/45/556038245.db2.gz WBNNTKAOTHVGAZ-RUZDIDTESA-N 0 1 479.715 6.066 40 0 JKABMN CCOc1cc(CNCc2ccccc2Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000016688587 556151995 /nfs/dbraw/zinc/15/19/95/556151995.db2.gz QFTMQAUAPAHGKY-UHFFFAOYSA-N 0 1 485.238 7.568 40 0 JKABMN CCOc1cc(CNCc2ccc(F)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000016688585 556152118 /nfs/dbraw/zinc/15/21/18/556152118.db2.gz NAPWIJDXVSTXOR-UHFFFAOYSA-N 0 1 468.783 7.053 40 0 JKABMN CSc1ccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)cc1C(=O)N1CCCC1 ZINC000026115248 556245664 /nfs/dbraw/zinc/24/56/64/556245664.db2.gz KNHHLLCXURMYOO-UHFFFAOYSA-N 0 1 484.668 5.597 40 0 JKABMN CSc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1C(=O)N1CCCCC1 ZINC000026116713 556246595 /nfs/dbraw/zinc/24/65/95/556246595.db2.gz RPPFNXLGSDTFMC-UHFFFAOYSA-N 0 1 482.627 5.628 40 0 JKABMN CSc1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1C(=O)N1CCC(C)CC1 ZINC000026118633 556247858 /nfs/dbraw/zinc/24/78/58/556247858.db2.gz DSZFUIJOFHCTQL-UHFFFAOYSA-N 0 1 472.554 5.100 40 0 JKABMN COc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)N2CCCCC2)c(OC)c1 ZINC000026770881 556260853 /nfs/dbraw/zinc/26/08/53/556260853.db2.gz UFGKQZNFFZXSAQ-VWLOTQADSA-N 0 1 464.631 6.210 40 0 JKABMN CC[C@H](c1nnnn1C1CCCCC1)N(Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013063836 556261176 /nfs/dbraw/zinc/26/11/76/556261176.db2.gz YANHFWHGEKOUJV-RUZDIDTESA-N 0 1 462.642 5.614 40 0 JKABMN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@@H](O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000026781432 556262529 /nfs/dbraw/zinc/26/25/29/556262529.db2.gz MYBALPAZTSJIAM-KULMNKMISA-N 0 1 464.694 5.232 40 0 JKABMN CC[C@H](c1nnnn1C(C)(C)CC)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013064577 556262508 /nfs/dbraw/zinc/26/25/08/556262508.db2.gz HDEMIZDQEKEBLD-XMMPIXPASA-N 0 1 464.658 5.563 40 0 JKABMN CC[C@@H](c1nnnn1Cc1ccccc1)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013064881 556263407 /nfs/dbraw/zinc/26/34/07/556263407.db2.gz PFCNMRYRXSBQAG-MHZLTWQESA-N 0 1 484.648 5.466 40 0 JKABMN CC[C@H](c1nnnn1Cc1ccccc1)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCCC1 ZINC000013065066 556263802 /nfs/dbraw/zinc/26/38/02/556263802.db2.gz JDTZUKADIUHMFB-AREMUKBSSA-N 0 1 484.648 5.466 40 0 JKABMN COc1ccc(OC)c([C@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)c1 ZINC000018007946 556275635 /nfs/dbraw/zinc/27/56/35/556275635.db2.gz XQOMMHZCPXMMNP-VJBWXMMDSA-N 0 1 499.350 5.062 40 0 JKABMN CCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]3ON2c2ccccc2)cc1OCC ZINC000018067732 556283217 /nfs/dbraw/zinc/28/32/17/556283217.db2.gz MMWXNOTWBPHFDY-PVHODMMVSA-N 0 1 486.568 5.234 40 0 JKABMN O=C(c1ccccc1)N1CCc2cc(S(=O)(=O)Nc3ccccc3Sc3ccccc3)ccc21 ZINC000028206683 556317342 /nfs/dbraw/zinc/31/73/42/556317342.db2.gz KDNWJLYKWNUNCF-UHFFFAOYSA-N 0 1 486.618 5.842 40 0 JKABMN CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)ccc2OC)cc1 ZINC000030750985 556370878 /nfs/dbraw/zinc/37/08/78/556370878.db2.gz HQYXDPVURCUYTE-HSZRJFAPSA-N 0 1 482.602 5.217 40 0 JKABMN Cc1ccc(SCc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccnc4)cc3)cc2)cc1 ZINC000030758724 556374286 /nfs/dbraw/zinc/37/42/86/556374286.db2.gz FBGKKBSMFTWKFR-UHFFFAOYSA-N 0 1 489.622 5.735 40 0 JKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(C)cc3C)ccc2Cl)cc1 ZINC000030848527 556376535 /nfs/dbraw/zinc/37/65/35/556376535.db2.gz XHCROINNXJNBFB-GOSISDBHSA-N 0 1 456.995 5.557 40 0 JKABMN CCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(O)c(Br)c4)nc3c2)cc1Cl ZINC000032116377 556423222 /nfs/dbraw/zinc/42/32/22/556423222.db2.gz OKJNZSWSESNRKE-UHFFFAOYSA-N 0 1 487.737 6.267 40 0 JKABMN O=C(Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1)c1ccc2ccccc2c1 ZINC000032116396 556423257 /nfs/dbraw/zinc/42/32/57/556423257.db2.gz BEPJVTGREVVPLQ-UHFFFAOYSA-N 0 1 459.299 6.368 40 0 JKABMN O=C(Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1)c1cccc2ccccc21 ZINC000032116563 556424207 /nfs/dbraw/zinc/42/42/07/556424207.db2.gz ZDYNERIVRNYWPD-UHFFFAOYSA-N 0 1 459.299 6.368 40 0 JKABMN O=C(NC(=S)Nc1cc(Br)c(O)c(Br)c1)c1cccc2ccccc21 ZINC000032116641 556424487 /nfs/dbraw/zinc/42/44/87/556424487.db2.gz UEXSNACAUWXXFM-UHFFFAOYSA-N 0 1 480.181 5.197 40 0 JKABMN Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(O)c(Br)c4)nc3c2)cc1C ZINC000032116614 556424498 /nfs/dbraw/zinc/42/44/98/556424498.db2.gz MIKWTNCLKQDULH-UHFFFAOYSA-N 0 1 496.386 5.707 40 0 JKABMN Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(O)c(Br)c4)nc3c2)c(Cl)c1 ZINC000032116640 556424551 /nfs/dbraw/zinc/42/45/51/556424551.db2.gz XRRJVGBOMWKYJZ-UHFFFAOYSA-N 0 1 457.711 6.177 40 0 JKABMN COc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(O)c(Br)c4)nc3c2)cc1 ZINC000032116667 556424804 /nfs/dbraw/zinc/42/48/04/556424804.db2.gz SOAOLBLQZYLXHC-UHFFFAOYSA-N 0 1 498.358 5.098 40 0 JKABMN CC(C)c1ccc(C(=O)NC(=S)Nc2cc(Br)c(O)c(Br)c2)cc1 ZINC000032116733 556425154 /nfs/dbraw/zinc/42/51/54/556425154.db2.gz XTKZHSCIUJOXCH-UHFFFAOYSA-N 0 1 472.202 5.167 40 0 JKABMN CN(Cc1cc(C[C@@H]2C[C@H](N(Cc3ccco3)Cc3ccco3)C2(C)C)no1)c1ccccc1 ZINC000067889713 560050290 /nfs/dbraw/zinc/05/02/90/560050290.db2.gz MXEBMSLOMYJOIM-ZBLYBZFDSA-N 0 1 459.590 6.157 40 0 biogenic,in-vitro JKABMN Cc1ccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)c4ccnc(Cl)c4)C=C3C)[nH]c2c1 ZINC000072320849 560077155 /nfs/dbraw/zinc/07/71/55/560077155.db2.gz XHDWBMWVKAJWKO-ACRUOGEOSA-N 0 1 451.014 5.747 40 0 biogenic,in-vitro JKABMN CC1=C[C@@H](CNC(=O)c2ccnc(Cl)c2)[C@H](C(C)C)C[C@H]1Cc1nc2ccc(F)cc2[nH]1 ZINC000072320865 560077746 /nfs/dbraw/zinc/07/77/46/560077746.db2.gz WTKNNMLCNSHDPK-BJLQDIEVSA-N 0 1 454.977 5.578 40 0 biogenic,in-vitro JKABMN O=C(NC1CCCCC1)OC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(C2CCCC2)nc(-c2ccncc2)n1 ZINC000008622915 560107692 /nfs/dbraw/zinc/10/76/92/560107692.db2.gz ZULRJPVXOVMEBV-CAOCKLPOSA-N 0 1 489.664 5.433 40 0 biogenic,in-vitro JKABMN COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)c1 ZINC000057313411 569596620 /nfs/dbraw/zinc/59/66/20/569596620.db2.gz ZNNXCQLSLKKIIA-UHFFFAOYSA-N 0 1 488.371 5.044 40 0 JKABMN COCCn1cc(-c2csc(NC(=O)c3[nH]nc(-c4cccs4)c3C)n2)c2ccccc21 ZINC000057775327 569601886 /nfs/dbraw/zinc/60/18/86/569601886.db2.gz VPABAESKBUDGFJ-UHFFFAOYSA-N 0 1 463.588 5.424 40 0 JKABMN CCc1ccc(N2C(=O)C(=Cc3ccc(-c4cc(Cl)ccc4C)o3)C(=O)NC2=S)cc1 ZINC000033382902 569625416 /nfs/dbraw/zinc/62/54/16/569625416.db2.gz AXJRFDHWCKXFRH-DEDYPNTBSA-N 0 1 450.947 6.142 40 0 JKABMN C=CCOc1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccc(CC)cc4)C3=O)c2C)cc1 ZINC000033566988 569628071 /nfs/dbraw/zinc/62/80/71/569628071.db2.gz VRTPUFXFALYLGD-KOEQRZSOSA-N 0 1 485.609 5.893 40 0 JKABMN CCc1ccc(N2C(=O)C(=Cc3ccc(O[C@@H](C)CC)c(Br)c3)C(=O)NC2=S)cc1 ZINC000033627883 569629097 /nfs/dbraw/zinc/62/90/97/569629097.db2.gz PWGPUIJRGUMAQQ-QCUKBLKESA-N 0 1 487.419 5.860 40 0 JKABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)ccc2Cl)c1 ZINC000033702349 569631032 /nfs/dbraw/zinc/63/10/32/569631032.db2.gz AJUKOLWGKRCZCG-UHFFFAOYSA-N 0 1 469.777 6.008 40 0 JKABMN CCc1ccc(N2C(=O)C(=Cc3ccc(OCc4ccc(C)cc4)cc3)C(=O)NC2=S)cc1 ZINC000033709416 569631295 /nfs/dbraw/zinc/63/12/95/569631295.db2.gz UDYVQGPFOLYWCJ-LFVJCYFKSA-N 0 1 456.567 5.808 40 0 JKABMN CCc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4cccc(Cl)c4C)c3C)C(=O)NC2=S)cc1 ZINC000033715744 569631558 /nfs/dbraw/zinc/63/15/58/569631558.db2.gz ZZXARJXAOQKPSX-KGENOOAVSA-N 0 1 478.017 6.290 40 0 JKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2Cl)cc1C ZINC000033742057 569633223 /nfs/dbraw/zinc/63/32/23/569633223.db2.gz FQIRLJXCUBSZJN-UHFFFAOYSA-N 0 1 482.911 6.029 40 0 JKABMN CCOc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000033776543 569634244 /nfs/dbraw/zinc/63/42/44/569634244.db2.gz FQSSYLXJIQQLBV-RGVLZGJSSA-N 0 1 494.931 5.721 40 0 JKABMN CCc1ccc(N2C(=O)C(=Cc3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C(=O)NC2=S)cc1 ZINC000033854398 569636423 /nfs/dbraw/zinc/63/64/23/569636423.db2.gz WZCWEEMWBNOYDQ-LDADJPATSA-N 0 1 481.917 5.742 40 0 JKABMN CCc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)C(=O)NC2=S)cc1 ZINC000033881981 569636926 /nfs/dbraw/zinc/63/69/26/569636926.db2.gz GRHWSQSNSTYASY-HMAPJEAMSA-N 0 1 474.542 5.236 40 0 JKABMN CCCOc1cc(Br)c(C=C2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1OCC ZINC000034857170 569667562 /nfs/dbraw/zinc/66/75/62/569667562.db2.gz NGLNJHDAEMUNIJ-WJDWOHSUSA-N 0 1 489.391 5.308 40 0 JKABMN COc1cc(OC)cc(-c2n[nH]c(SCC(=O)N3c4ccccc4Sc4ccccc43)n2)c1 ZINC000035352234 569681837 /nfs/dbraw/zinc/68/18/37/569681837.db2.gz VUFKGNUKDQDIQN-UHFFFAOYSA-N 0 1 476.583 5.411 40 0 JKABMN O=C(Sc1nc(SCc2cccc3ccccc32)n[nH]1)c1ccc(Br)cc1 ZINC000070503677 569695320 /nfs/dbraw/zinc/69/53/20/569695320.db2.gz XKEPUYNBDQENMA-UHFFFAOYSA-N 0 1 456.390 5.945 40 0 JKABMN O=C([O-])C[N@H+](Cc1ccc(OCc2ccccc2)cc1)CC(c1ccccc1)c1ccccc1 ZINC000073633168 569704506 /nfs/dbraw/zinc/70/45/06/569704506.db2.gz BXLVQWNGBRIDQY-UHFFFAOYSA-N 0 1 451.566 5.984 40 0 JKABMN CC(C)(C)c1ccc([C@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000095483665 569725190 /nfs/dbraw/zinc/72/51/90/569725190.db2.gz KGTCDSBYSHPIRU-SGNDLWITSA-N 0 1 460.961 5.689 40 0 JKABMN CC(C)(C)c1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000095483665 569725191 /nfs/dbraw/zinc/72/51/91/569725191.db2.gz KGTCDSBYSHPIRU-SGNDLWITSA-N 0 1 460.961 5.689 40 0 JKABMN CC12C(=O)C([C@H](c3ccccc3)N[C@@H]1c1ccccc1)[C@H](c1ccccc1)N[C@H]2c1ccccc1 ZINC000096182615 569737018 /nfs/dbraw/zinc/73/70/18/569737018.db2.gz CRZYYNZUSNTEQP-YYBAAANBSA-N 0 1 458.605 6.350 40 0 JKABMN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)[C@H](O)c1ccc(Cl)cc1 ZINC000036006852 569747605 /nfs/dbraw/zinc/74/76/05/569747605.db2.gz KWRCYCMVQGXSCO-YPWXSCLLSA-N 0 1 499.072 8.479 40 0 JKABMN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C)[C@H](O)c1ccc(Cl)cc1 ZINC000036006853 569747608 /nfs/dbraw/zinc/74/76/08/569747608.db2.gz KWRCYCMVQGXSCO-YTCBVZEOSA-N 0 1 499.072 8.479 40 0 JKABMN COc1ccc([C@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000100123879 569753288 /nfs/dbraw/zinc/75/32/88/569753288.db2.gz VAWKIFVVJANQRK-FSSWDIPSSA-N 0 1 469.324 5.053 40 0 JKABMN C[C@@]1(O)CC(=O)[C@H](C(=O)c2ccccc2)[C@H](c2ccc(Br)cc2)[C@@H]1C(=O)c1ccccc1 ZINC000100637248 569765927 /nfs/dbraw/zinc/76/59/27/569765927.db2.gz DOMKDVRQFVLOLZ-QRXMYIDTSA-N 0 1 491.381 5.255 40 0 JKABMN COc1cccc([C@H]2c3c(O)n(-c4cc(Cl)cc(Cl)c4)c(O)c3ON2c2ccccc2)c1 ZINC000100949242 569777538 /nfs/dbraw/zinc/77/75/38/569777538.db2.gz JAKSDEKBLIRJKK-FSSWDIPSSA-N 0 1 469.324 5.053 40 0 JKABMN CCOc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(Br)cc3)on2)N2CCCC2)cc1 ZINC000036631342 569779392 /nfs/dbraw/zinc/77/93/92/569779392.db2.gz GVSMFEKRMJFHPJ-JOCHJYFZSA-N 0 1 484.394 5.070 40 0 JKABMN COc1cccc([C@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)c1 ZINC000101028398 569780018 /nfs/dbraw/zinc/78/00/18/569780018.db2.gz COLRNCLXYGUNNM-FKBYEOEOSA-N 0 1 469.324 5.053 40 0 JKABMN CCCOc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]3ON2c2ccccc2)cc1OCC ZINC000101131243 569784024 /nfs/dbraw/zinc/78/40/24/569784024.db2.gz RWOJXXMELXBCQV-QKDODKLFSA-N 0 1 486.568 5.234 40 0 JKABMN CCCOc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OCC ZINC000101137395 569784288 /nfs/dbraw/zinc/78/42/88/569784288.db2.gz WYSNQLAPGDPWBR-QKDODKLFSA-N 0 1 486.568 5.234 40 0 JKABMN CC(C)[C@H]1CC[C@H](C)C[C@H]1O[P@](=O)(O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C)[C@H](O)c1cccnc1 ZINC000102134261 569810104 /nfs/dbraw/zinc/81/01/04/569810104.db2.gz QZJIDEFRERTWOZ-KVWSARLSSA-N 0 1 465.615 7.220 40 0 JKABMN Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3)CC2)c1 ZINC000039749979 569811261 /nfs/dbraw/zinc/81/12/61/569811261.db2.gz KPNSVBNAEKHFQM-UHFFFAOYSA-N 0 1 498.048 5.300 40 0 JKABMN O=C(Nc1ccc(CSc2ccccc2)cc1)C1CCN(Cc2ccccc2Cl)CC1 ZINC000039758865 569811501 /nfs/dbraw/zinc/81/15/01/569811501.db2.gz BMRLVODQMALCMJ-UHFFFAOYSA-N 0 1 451.035 6.483 40 0 JKABMN C[C@@H](NC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccccc2Cl)CC1)c1ccccc1 ZINC000039762358 569811590 /nfs/dbraw/zinc/81/15/90/569811590.db2.gz VMTONNMUBOPGDR-HXUWFJFHSA-N 0 1 476.020 5.682 40 0 JKABMN O=C(Nc1ccccc1C(=O)N1CCCCCC1)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000039760821 569811597 /nfs/dbraw/zinc/81/15/97/569811597.db2.gz XRDLJWVDBDVFTL-UHFFFAOYSA-N 0 1 454.014 5.207 40 0 JKABMN O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cccc4ccccc43)[C@@H]2C(=O)N1c1cccc(Br)c1 ZINC000102707091 569816532 /nfs/dbraw/zinc/81/65/32/569816532.db2.gz LKKNGOPEDJTLJJ-SDHOMARFSA-N 0 1 499.364 5.653 40 0 JKABMN COc1cccc([C@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)c1 ZINC000102723722 569817478 /nfs/dbraw/zinc/81/74/78/569817478.db2.gz COLRNCLXYGUNNM-BHIFYINESA-N 0 1 469.324 5.053 40 0 JKABMN CCc1ccc([C@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000102728898 569817887 /nfs/dbraw/zinc/81/78/87/569817887.db2.gz RSYSVVPXMQQROL-XPWALMASSA-N 0 1 467.352 5.607 40 0 JKABMN Cc1ccc([C@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000102728031 569817993 /nfs/dbraw/zinc/81/79/93/569817993.db2.gz UQKHXXIFTXJVDW-FDFHNCONSA-N 0 1 453.325 5.353 40 0 JKABMN Oc1c2c(c(O)n1-c1ccc(F)cc1)[C@H](c1cc3ccccc3nc1Cl)N(c1ccccc1)O2 ZINC000102733078 569818420 /nfs/dbraw/zinc/81/84/20/569818420.db2.gz MBCNFBVUAFGFST-VABKMULXSA-N 0 1 473.891 5.078 40 0 JKABMN CCCC[C@@H](CC)[C@@H]1c2c(O)n(-c3ccc(Br)cc3)c(O)c2ON1c1ccccc1 ZINC000102750252 569820935 /nfs/dbraw/zinc/82/09/35/569820935.db2.gz TUOGVVHZFULDKU-XUFNMVPLSA-N 0 1 471.395 5.344 40 0 JKABMN Cc1[nH]c2ccccc2c1[C@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2ON1c1ccccc1 ZINC000102752290 569820970 /nfs/dbraw/zinc/82/09/70/569820970.db2.gz XIHVMRAZUQUDDW-CCDWMCETSA-N 0 1 471.944 5.489 40 0 JKABMN Oc1c2c(c(O)n1-c1cccc(Cl)c1)[C@H](c1cc3ccccc3nc1Cl)N(c1ccccc1)O2 ZINC000102757256 569821588 /nfs/dbraw/zinc/82/15/88/569821588.db2.gz LQZRBGXDTNKSHL-VJBWXMMDSA-N 0 1 490.346 5.593 40 0 JKABMN O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)/C(=C/c1ccccc1)c1ccccc1 ZINC000040867370 569834773 /nfs/dbraw/zinc/83/47/73/569834773.db2.gz AIFDYMOJFWZMLR-LYBHJNIJSA-N 0 1 455.539 5.062 40 0 JKABMN CCCCOc1ccc([C@@H]2CC(=Nc3ccc(OC)cc3)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000103758294 569837760 /nfs/dbraw/zinc/83/77/60/569837760.db2.gz DZMPBRNBYKKJKO-MHZLTWQESA-N 0 1 458.558 5.967 40 0 JKABMN 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ZINC000014154623 555711795 /nfs/dbraw/zinc/71/17/95/555711795.db2.gz BEDVPNFJMIYLNM-UHFFFAOYSA-N 0 1 489.302 6.065 40 0 JKABMN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCCSc2ccc(Cl)cc2)ccc1Cl ZINC000014154712 555712154 /nfs/dbraw/zinc/71/21/54/555712154.db2.gz ZDBSHBONNNBVAB-UHFFFAOYSA-N 0 1 495.453 5.625 40 0 JKABMN COC(=O)c1cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3)c2)ccc1Cl ZINC000014155066 555712822 /nfs/dbraw/zinc/71/28/22/555712822.db2.gz WPKUXTIVJZYBHF-UHFFFAOYSA-N 0 1 493.368 5.142 40 0 JKABMN CCc1cccc(CC)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000014155217 555713097 /nfs/dbraw/zinc/71/30/97/555713097.db2.gz OOKKTQMTANHBFI-UHFFFAOYSA-N 0 1 456.995 5.826 40 0 JKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCSC3CCCCC3)ccc2Cl)cc1C ZINC000014155235 555713122 /nfs/dbraw/zinc/71/31/22/555713122.db2.gz VOTLFIIZUVGBRQ-UHFFFAOYSA-N 0 1 481.083 5.553 40 0 JKABMN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3C)ccc2Cl)c1 ZINC000014155722 555714292 /nfs/dbraw/zinc/71/42/92/555714292.db2.gz OGHRXEZIWJNQEV-UHFFFAOYSA-N 0 1 463.386 5.972 40 0 JKABMN O=C(Nc1ccc(Br)cc1)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 ZINC000020241747 555737214 /nfs/dbraw/zinc/73/72/14/555737214.db2.gz DTTWCUAUAHWTSK-UHFFFAOYSA-N 0 1 450.380 5.024 40 0 JKABMN CN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4ccc(Cl)cc4Cl)o3)cc2)CC1 ZINC000014277238 555785595 /nfs/dbraw/zinc/78/55/95/555785595.db2.gz KBGFUIOWXMQMBO-UHFFFAOYSA-N 0 1 489.428 5.132 40 0 JKABMN COc1ccc([C@@H](O)[P@@](=O)(O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 ZINC000011667429 555798053 /nfs/dbraw/zinc/79/80/53/555798053.db2.gz ZOBOYBARNZZRMT-ZAYXSURXSA-N 0 1 494.653 7.834 40 0 JKABMN COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1Br ZINC000014413342 555812622 /nfs/dbraw/zinc/81/26/22/555812622.db2.gz HADNXYQLBRKWJC-UHFFFAOYSA-N 0 1 468.756 5.704 40 0 JKABMN CC(C)[C@H]1CC[C@H](C)C[C@H]1O[P@](=O)(O[C@H]1C[C@H](C)CC[C@H]1C(C)C)[C@@H](O)c1cccnc1 ZINC000011852557 555835660 /nfs/dbraw/zinc/83/56/60/555835660.db2.gz QZJIDEFRERTWOZ-IECYMLKTSA-N 0 1 465.615 7.220 40 0 JKABMN CC(C)[C@H]1CC[C@H](C)C[C@H]1O[P@@](=O)(O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C)[C@@H](O)c1cccnc1 ZINC000011852560 555835726 /nfs/dbraw/zinc/83/57/26/555835726.db2.gz QZJIDEFRERTWOZ-BKYBNREYSA-N 0 1 465.615 7.220 40 0 JKABMN O=c1cc(-c2ccccc2Cl)nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)[nH]1 ZINC000014608501 555836769 /nfs/dbraw/zinc/83/67/69/555836769.db2.gz WEYMCQDCMFGUQT-UHFFFAOYSA-N 0 1 456.977 5.002 40 0 JKABMN O=C(c1c[nH]c2ccccc12)[C@@H](O)[C@H](c1ccc(Cl)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000015017731 555858890 /nfs/dbraw/zinc/85/88/90/555858890.db2.gz RSNWAQHUGWKRKE-YTMVLYRLSA-N 0 1 473.016 6.061 40 0 JKABMN O=C(c1c[nH]c2ccccc12)[C@@H](O)[C@@H](c1ccc(Cl)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000015017733 555859076 /nfs/dbraw/zinc/85/90/76/555859076.db2.gz RSNWAQHUGWKRKE-PXJZQJOASA-N 0 1 473.016 6.061 40 0 JKABMN C[C@@H](NCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000022074169 555870902 /nfs/dbraw/zinc/87/09/02/555870902.db2.gz SRAQYUYRCJNAJG-OAHLLOKOSA-N 0 1 465.218 7.186 40 0 JKABMN COc1ccc(CNCc2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1 ZINC000022076755 555871676 /nfs/dbraw/zinc/87/16/76/555871676.db2.gz MDBJLLRTNPIXNF-UHFFFAOYSA-N 0 1 481.217 6.633 40 0 JKABMN CCCCOc1ccc2nc(N[C@](NC(=O)CCCC)(C(=O)OCC)C(F)(F)F)sc2c1 ZINC000015277001 555892570 /nfs/dbraw/zinc/89/25/70/555892570.db2.gz HAVGMSGQNGLWNJ-HXUWFJFHSA-N 0 1 475.533 5.015 40 0 JKABMN CC[C@@H](c1nnnn1C(C)(C)CC)N(Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013063797 556261169 /nfs/dbraw/zinc/26/11/69/556261169.db2.gz NOFGDGZKAWVPNR-QHCPKHFHSA-N 0 1 450.631 5.254 40 0 JKABMN CC[C@@H](c1nnnn1C(C)(C)C)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013064554 556262247 /nfs/dbraw/zinc/26/22/47/556262247.db2.gz RIMQFUVWNWWTGJ-QHCPKHFHSA-N 0 1 450.631 5.172 40 0 JKABMN CC(C)(C)c1ccccc1OC[C@@H](O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000026781411 556262547 /nfs/dbraw/zinc/26/25/47/556262547.db2.gz DRIFTWKSBVXQAX-SANMLTNESA-N 0 1 458.646 5.131 40 0 JKABMN CC[C@H](c1nnnn1C1CCCCC1)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013064846 556262831 /nfs/dbraw/zinc/26/28/31/556262831.db2.gz VATSQIAXMBNONH-AREMUKBSSA-N 0 1 476.669 5.923 40 0 JKABMN C[C@H]1Cc2cc(S(=O)(=O)Nc3ccccc3Oc3ccccc3)ccc2N1C(=O)c1ccccc1 ZINC000028207135 556317817 /nfs/dbraw/zinc/31/78/17/556317817.db2.gz JJDHBCXFQLRRTK-FQEVSTJZSA-N 0 1 484.577 5.871 40 0 JKABMN Cc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)c(C)c1 ZINC000030751319 556371241 /nfs/dbraw/zinc/37/12/41/556371241.db2.gz PYLTWWCVNHCGQK-IBGZPJMESA-N 0 1 471.022 5.865 40 0 JKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(F)cc3)ccc2Cl)cc1C ZINC000030857675 556380605 /nfs/dbraw/zinc/38/06/05/556380605.db2.gz HPQZZTWDRGVJSW-MRXNPFEDSA-N 0 1 460.958 5.388 40 0 JKABMN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)ccc2OC)cc1 ZINC000030863112 556382564 /nfs/dbraw/zinc/38/25/64/556382564.db2.gz JVTVKNNKWAQUAH-XMMPIXPASA-N 0 1 482.602 5.217 40 0 JKABMN c1ccc(C2=CN=C(c3ccccc3)[C@@H](c3ccccc3)C(c3ccccc3)=C2c2ccccc2)cc1 ZINC000031740097 556402704 /nfs/dbraw/zinc/40/27/04/556402704.db2.gz BMHHJGYDAZHKQN-DHUJRADRSA-N 0 1 473.619 8.925 40 0 JKABMN CC(C)c1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(O)c(Br)c4)nc3c2)cc1 ZINC000032116384 556423250 /nfs/dbraw/zinc/42/32/50/556423250.db2.gz ZZNHYDPUKTUCDL-UHFFFAOYSA-N 0 1 481.346 6.104 40 0 JKABMN O=C(NC(=S)Nc1cc(Br)c(O)c(Br)c1)c1cc(Cl)ccc1Cl ZINC000032116470 556423601 /nfs/dbraw/zinc/42/36/01/556423601.db2.gz SCMCEQBBLROEFJ-UHFFFAOYSA-N 0 1 499.011 5.351 40 0 JKABMN CC(C)(C)c1ccc(C(=O)NC(=S)Nc2cc(Br)c(O)c(Br)c2)cc1 ZINC000032116438 556423646 /nfs/dbraw/zinc/42/36/46/556423646.db2.gz MSUFWOCVWYBMRP-UHFFFAOYSA-N 0 1 486.229 5.342 40 0 JKABMN O=C(Cc1ccccc1)NC(=S)Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1 ZINC000032116425 556423691 /nfs/dbraw/zinc/42/36/91/556423691.db2.gz WHBKICIMLLAVNT-UHFFFAOYSA-N 0 1 482.359 5.019 40 0 JKABMN O=C(Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1)c1sc2ccccc2c1Cl ZINC000032116512 556423820 /nfs/dbraw/zinc/42/38/20/556423820.db2.gz RNVVECYHLCTQJT-UHFFFAOYSA-N 0 1 499.773 7.083 40 0 JKABMN O=C(Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1)c1cc(Cl)ccc1Cl ZINC000032116530 556423854 /nfs/dbraw/zinc/42/38/54/556423854.db2.gz LAFQGOSMOVTRCH-UHFFFAOYSA-N 0 1 478.129 6.522 40 0 JKABMN CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc3oc(-c4ccc(O)c(Br)c4)nc3c2)cc1 ZINC000032116632 556424470 /nfs/dbraw/zinc/42/44/70/556424470.db2.gz NLOUANFCCNPLLI-CQSZACIVSA-N 0 1 481.346 6.393 40 0 JKABMN O=C(NC(=S)Nc1cc(Br)c(O)c(Br)c1)c1ccc(Cl)cc1Cl ZINC000032116709 556424811 /nfs/dbraw/zinc/42/48/11/556424811.db2.gz WGMIAIIZXORUTH-UHFFFAOYSA-N 0 1 499.011 5.351 40 0 JKABMN COc1ccc(Cl)cc1C(=O)Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1 ZINC000032116706 556424836 /nfs/dbraw/zinc/42/48/36/556424836.db2.gz JCNJDAMRABXGBN-UHFFFAOYSA-N 0 1 473.710 5.877 40 0 JKABMN CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2cc(Br)c(O)c(Br)c2)cc1 ZINC000032116758 556425109 /nfs/dbraw/zinc/42/51/09/556425109.db2.gz NKVJFFXHVUCTSR-VMPITWQZSA-N 0 1 498.240 5.567 40 0 JKABMN COc1cc2ccccc2cc1C(=O)Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1 ZINC000032116788 556425142 /nfs/dbraw/zinc/42/51/42/556425142.db2.gz ZVPMUZQCELJBRL-UHFFFAOYSA-N 0 1 489.325 6.377 40 0 JKABMN O=C(NC(=S)Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1)c1ccc(F)cc1 ZINC000032116806 556425478 /nfs/dbraw/zinc/42/54/78/556425478.db2.gz POTKPFKYSZKSQB-UHFFFAOYSA-N 0 1 486.322 5.229 40 0 JKABMN CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3\NC(=O)NC3=O)c2-c2ccccc2)cc1 ZINC000059565444 569606947 /nfs/dbraw/zinc/60/69/47/569606947.db2.gz YRUWQDLXBFDMDD-ULJHMMPZSA-N 0 1 477.520 5.168 40 0 JKABMN CCOc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Br)c1O[C@H](C)CC ZINC000033385180 569625533 /nfs/dbraw/zinc/62/55/33/569625533.db2.gz ZECJWIJBYWLHCJ-BPKVKKHESA-N 0 1 491.338 5.120 40 0 JKABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc4ccccc4c3)ccc2Cl)c1 ZINC000033397970 569625722 /nfs/dbraw/zinc/62/57/22/569625722.db2.gz HFLMMFIVMGFBLG-UHFFFAOYSA-N 0 1 450.947 5.855 40 0 JKABMN CCc1ccc(N2C(=O)C(=Cc3ccccc3OCc3cccc4ccccc43)C(=O)NC2=S)cc1 ZINC000033451886 569626486 /nfs/dbraw/zinc/62/64/86/569626486.db2.gz XBEOKADTWJSJJW-NLRVBDNBSA-N 0 1 492.600 6.653 40 0 JKABMN C=CCc1cc(C=C2C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(OC)c1OCC ZINC000033579624 569628219 /nfs/dbraw/zinc/62/82/19/569628219.db2.gz XVBDHMAPQFAEDQ-XSFVSMFZSA-N 0 1 450.560 5.056 40 0 JKABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)ccc2Cl)c1 ZINC000033632254 569629186 /nfs/dbraw/zinc/62/91/86/569629186.db2.gz RTPVZTFNPDOCMS-UHFFFAOYSA-N 0 1 492.984 6.494 40 0 JKABMN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1cc(Br)c(Sc2ccccc2)o1 ZINC000034689584 569645701 /nfs/dbraw/zinc/64/57/01/569645701.db2.gz BLASOMNRRDZLGF-OQLLNIDSSA-N 0 1 473.304 5.289 40 0 JKABMN CCc1ccc(N2C(=O)C(=Cc3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C(=O)NC2=S)cc1 ZINC000034695395 569647417 /nfs/dbraw/zinc/64/74/17/569647417.db2.gz WDHAWSZDZCRVEG-HZHRSRAPSA-N 0 1 487.537 5.408 40 0 JKABMN CCOc1cc(C=C2C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OC ZINC000034701083 569649182 /nfs/dbraw/zinc/64/91/82/569649182.db2.gz KEDCMBWRBZJAPJ-MHWRWJLKSA-N 0 1 489.391 5.090 40 0 JKABMN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3cc(Cl)ccc3Cl)ccc2Cl)c1 ZINC000034713685 569651478 /nfs/dbraw/zinc/65/14/78/569651478.db2.gz WXSRGOAYPJMISS-UHFFFAOYSA-N 0 1 483.804 6.317 40 0 JKABMN C=CCc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(OC)c1OCc1ccc(F)cc1 ZINC000034839623 569666881 /nfs/dbraw/zinc/66/68/81/569666881.db2.gz GIKBEMWJHMVMCG-LPYMAVHISA-N 0 1 490.487 5.237 40 0 JKABMN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)ccc2Cl)c1 ZINC000035074331 569674240 /nfs/dbraw/zinc/67/42/40/569674240.db2.gz GXFLJYVOSNIDHV-UHFFFAOYSA-N 0 1 483.804 6.317 40 0 JKABMN COc1ccc2[nH]cc(CCN3C(=O)c4n[nH]c(-c5ccccc5)c4[C@@H]3c3ccc(O)c(OC)c3)c2c1 ZINC000066088097 569676832 /nfs/dbraw/zinc/67/68/32/569676832.db2.gz OPUKJXAQKUXZPR-NDEPHWFRSA-N 0 1 494.551 5.069 40 0 JKABMN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000035177931 569677543 /nfs/dbraw/zinc/67/75/43/569677543.db2.gz ZZWISGJYNBDSFN-HYARGMPZSA-N 0 1 486.911 6.168 40 0 JKABMN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1ccc(OCc2ccc(Br)cc2)cc1 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JKABMN COc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)N2CCCCC2)cc1OC ZINC000015441134 555909030 /nfs/dbraw/zinc/90/90/30/555909030.db2.gz MHVXKWVCWUBOTN-VWLOTQADSA-N 0 1 464.631 6.210 40 0 JKABMN CCOC(=O)C1CCN([C@@H](c2cccs2)c2c(C)c(C)sc2NC(=O)c2ccccc2)CC1 ZINC000015441212 555909139 /nfs/dbraw/zinc/90/91/39/555909139.db2.gz NKWGKYCEXIGJEH-QHCPKHFHSA-N 0 1 482.671 6.043 40 0 JKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(N4CCCC4=O)cc3)ccc2Cl)cc1C ZINC000022530249 555931557 /nfs/dbraw/zinc/93/15/57/555931557.db2.gz JEHHIPIYCOCODS-UHFFFAOYSA-N 0 1 498.004 5.137 40 0 JKABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccccc3C(C)C)cc2)c1 ZINC000022532821 555932407 /nfs/dbraw/zinc/93/24/07/555932407.db2.gz NXRGCACAHHBCTC-GOSISDBHSA-N 0 1 498.601 5.034 40 0 JKABMN O=C(Nc1cccc(F)c1)N1Cc2[nH]cnc2C[C@H]1c1nc(-c2ccc3ccccc3c2)no1 ZINC000015675941 555935366 /nfs/dbraw/zinc/93/53/66/555935366.db2.gz IZWTXDPVPDGPSN-QFIPXVFZSA-N 0 1 454.465 5.084 40 0 biogenic,in-vitro JKABMN O=C(Nc1ccc(Cl)cc1)N1Cc2[nH]cnc2C[C@H]1c1nc(-c2ccc3ccccc3c2)no1 ZINC000015675938 555935393 /nfs/dbraw/zinc/93/53/93/555935393.db2.gz YYOLNXZCSITGDM-QFIPXVFZSA-N 0 1 470.920 5.598 40 0 biogenic,in-vitro JKABMN CCN1CCN([C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023292190 556038253 /nfs/dbraw/zinc/03/82/53/556038253.db2.gz ABCWPAYXMRAIMG-XMMPIXPASA-N 0 1 468.066 5.998 40 0 JKABMN CCOc1cc(CNCc2cccnc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000016688589 556152063 /nfs/dbraw/zinc/15/20/63/556152063.db2.gz DSFKEEWDJKAAAZ-UHFFFAOYSA-N 0 1 451.781 6.309 40 0 JKABMN CSc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1C(=O)N1CCC(C)CC1 ZINC000026119246 556248199 /nfs/dbraw/zinc/24/81/99/556248199.db2.gz YIPMVISBEWVRRP-UHFFFAOYSA-N 0 1 496.654 5.874 40 0 JKABMN CCc1ccc2[nH]c(=O)c(CN([C@H](CC)c3nnnn3Cc3ccccc3)C3CCCCC3)cc2c1 ZINC000013063691 556260787 /nfs/dbraw/zinc/26/07/87/556260787.db2.gz VUZPUDQKEKRHDK-HHHXNRCGSA-N 0 1 484.648 5.411 40 0 JKABMN CC[C@@H](c1nnnn1C(C)(C)CC)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013064578 556262235 /nfs/dbraw/zinc/26/22/35/556262235.db2.gz HDEMIZDQEKEBLD-DEOSSOPVSA-N 0 1 464.658 5.563 40 0 JKABMN CC[C@H](c1nnnn1C(C)(C)C)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013064553 556262435 /nfs/dbraw/zinc/26/24/35/556262435.db2.gz RIMQFUVWNWWTGJ-HSZRJFAPSA-N 0 1 450.631 5.172 40 0 JKABMN CC[C@@H](c1nnnn1C1CCCC1)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013064594 556262487 /nfs/dbraw/zinc/26/24/87/556262487.db2.gz DONVLAFTYGMZPC-VWLOTQADSA-N 0 1 462.642 5.533 40 0 JKABMN CC(C)(C)c1ccc(OC[C@@H](O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000026781388 556262584 /nfs/dbraw/zinc/26/25/84/556262584.db2.gz DCBVFTIQCDHYAZ-MHZLTWQESA-N 0 1 458.646 5.131 40 0 JKABMN CC[C@H](c1nnnn1C1CCCC1)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013064822 556262851 /nfs/dbraw/zinc/26/28/51/556262851.db2.gz RUMMCLAKNTYTIL-RUZDIDTESA-N 0 1 462.642 5.533 40 0 JKABMN CC[C@H](c1nnnn1C1CCCCC1)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCCC1 ZINC000013065050 556263198 /nfs/dbraw/zinc/26/31/98/556263198.db2.gz YODHOQPRVWSUNX-RUZDIDTESA-N 0 1 476.669 5.923 40 0 JKABMN Cc1cc(NC(=O)c2ccc(Br)cc2)c(C(C)C)c(S(=O)(=O)c2ccccc2)c1O ZINC000026786953 556263258 /nfs/dbraw/zinc/26/32/58/556263258.db2.gz NIAXAZZYOAIIGI-UHFFFAOYSA-N 0 1 488.403 5.672 40 0 JKABMN CC[C@@H](c1nnnn1C(C)(C)CC)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCCC1 ZINC000013065025 556263287 /nfs/dbraw/zinc/26/32/87/556263287.db2.gz WUEJJMHSDSEREO-QHCPKHFHSA-N 0 1 464.658 5.563 40 0 JKABMN Cc1cc(NC(=O)c2ccc(Cl)cc2)c(C(C)C)c(S(=O)(=O)c2ccc(Cl)cc2)c1O ZINC000026786965 556263402 /nfs/dbraw/zinc/26/34/02/556263402.db2.gz DIGMGJWUWNIPFO-UHFFFAOYSA-N 0 1 478.397 6.216 40 0 JKABMN CC[C@H](c1nnnn1CCc1ccccc1)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCCC1 ZINC000013065148 556263672 /nfs/dbraw/zinc/26/36/72/556263672.db2.gz ZBSGJXBWUDWMBS-HHHXNRCGSA-N 0 1 498.675 5.660 40 0 JKABMN CC[C@@H](c1nnnn1CCc1ccccc1)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCCC1 ZINC000013065149 556263699 /nfs/dbraw/zinc/26/36/99/556263699.db2.gz ZBSGJXBWUDWMBS-MHZLTWQESA-N 0 1 498.675 5.660 40 0 JKABMN COc1ccccc1[C@H]1c2c(O)n(-c3ccc(Cl)c(Cl)c3)c(O)c2ON1c1ccccc1 ZINC000018059661 556281487 /nfs/dbraw/zinc/28/14/87/556281487.db2.gz HEBPGXFSRJKKIQ-FSSWDIPSSA-N 0 1 469.324 5.053 40 0 JKABMN CC(C)(C)c1ccc(C(=O)Nc2cccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)c2)cc1 ZINC000030752142 556371516 /nfs/dbraw/zinc/37/15/16/556371516.db2.gz UNQBQRKIBWYCLS-UHFFFAOYSA-N 0 1 477.413 6.344 40 0 JKABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(N4CCCC4=O)cc3)ccc2Cl)c1C ZINC000030859727 556381258 /nfs/dbraw/zinc/38/12/58/556381258.db2.gz UAPFGSATZUCPFV-UHFFFAOYSA-N 0 1 498.004 5.137 40 0 JKABMN Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C[NH+]4CCC(C)CC4)cc3)cc2)c1 ZINC000030872686 556385709 /nfs/dbraw/zinc/38/57/09/556385709.db2.gz DMAUJLGFJZXYCJ-UHFFFAOYSA-N 0 1 491.657 5.588 40 0 JKABMN c1ccc(C2=CN=C(c3ccccc3)[C@H](c3ccccc3)C(c3ccccc3)=C2c2ccccc2)cc1 ZINC000031740092 556402699 /nfs/dbraw/zinc/40/26/99/556402699.db2.gz BMHHJGYDAZHKQN-PGUFJCEWSA-N 0 1 473.619 8.925 40 0 JKABMN COc1ccccc1C(=O)NC(=S)Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1 ZINC000032116386 556423226 /nfs/dbraw/zinc/42/32/26/556423226.db2.gz UULFBDKKPDDRBK-UHFFFAOYSA-N 0 1 498.358 5.098 40 0 JKABMN Cc1cc(OCC(=O)Nc2ccc3oc(-c4ccc(O)c(Br)c4)nc3c2)ccc1Cl ZINC000032116381 556423294 /nfs/dbraw/zinc/42/32/94/556423294.db2.gz SVWSCSHEKBCKMS-UHFFFAOYSA-N 0 1 487.737 5.942 40 0 JKABMN CCOc1cccc(C(=O)Nc2ccc3oc(-c4ccc(O)c(Br)c4)nc3c2)c1 ZINC000032116473 556423596 /nfs/dbraw/zinc/42/35/96/556423596.db2.gz RHHGDVDJNWGGBB-UHFFFAOYSA-N 0 1 453.292 5.614 40 0 JKABMN O=C(NC(=S)Nc1cc(Br)c(O)c(Br)c1)c1ccc2ccccc2c1 ZINC000032116462 556423661 /nfs/dbraw/zinc/42/36/61/556423661.db2.gz LHKAVQYLKCQJJA-UHFFFAOYSA-N 0 1 480.181 5.197 40 0 JKABMN CC(C)Oc1cccc(C(=O)Nc2ccc3oc(-c4ccc(O)c(Br)c4)nc3c2)c1 ZINC000032116533 556423871 /nfs/dbraw/zinc/42/38/71/556423871.db2.gz QMFHKAZFONDDMZ-UHFFFAOYSA-N 0 1 467.319 6.002 40 0 JKABMN O=C(NC(=S)Nc1cc(Br)c(O)c(Br)c1)c1cccc(Cl)c1Cl ZINC000032116655 556424520 /nfs/dbraw/zinc/42/45/20/556424520.db2.gz ABRIVAMDWAUMSC-UHFFFAOYSA-N 0 1 499.011 5.351 40 0 JKABMN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc3oc(-c4ccc(O)c(Br)c4)nc3c2)c1 ZINC000032116705 556424844 /nfs/dbraw/zinc/42/48/44/556424844.db2.gz YFTXAHSGYIJUTA-UHFFFAOYSA-N 0 1 495.373 6.412 40 0 JKABMN CCCOc1cccc(C(=O)Nc2ccc3oc(-c4ccc(O)c(Br)c4)nc3c2)c1 ZINC000032116692 556424902 /nfs/dbraw/zinc/42/49/02/556424902.db2.gz QKPXPRBUZLWNBT-UHFFFAOYSA-N 0 1 467.319 6.004 40 0 JKABMN O=C(COc1ccc2ccccc2c1)Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1 ZINC000032116750 556425037 /nfs/dbraw/zinc/42/50/37/556425037.db2.gz ZCDFNPAZCAZISV-UHFFFAOYSA-N 0 1 489.325 6.134 40 0 JKABMN Cc1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(O)c(Br)c4)nc3c2)c(C)c1 ZINC000032116761 556425058 /nfs/dbraw/zinc/42/50/58/556425058.db2.gz XAFYMWOUIVCFJX-UHFFFAOYSA-N 0 1 467.319 5.597 40 0 JKABMN O=C(COc1ccccc1Cl)Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1 ZINC000032116793 556425159 /nfs/dbraw/zinc/42/51/59/556425159.db2.gz WXDZLSWGFBESEI-UHFFFAOYSA-N 0 1 473.710 5.634 40 0 JKABMN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1ccc(OCc2cccc(F)c2)c(Br)c1 ZINC000033375607 569625259 /nfs/dbraw/zinc/62/52/59/569625259.db2.gz FNZXADFAZCPSRD-VCHYOVAHSA-N 0 1 499.292 5.263 40 0 JKABMN CCOc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(C)ccc2C)c1 ZINC000033386505 569625498 /nfs/dbraw/zinc/62/54/98/569625498.db2.gz LIIPFBOTVATDLN-UHFFFAOYSA-N 0 1 458.967 5.409 40 0 JKABMN CCc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(N(C)C)cc4)c3C)C(=O)NC2=S)cc1 ZINC000033408856 569625996 /nfs/dbraw/zinc/62/59/96/569625996.db2.gz AGHVEEYLVPAEQZ-LFVJCYFKSA-N 0 1 472.614 5.394 40 0 JKABMN Cc1ccc(COc2ccc(Br)cc2C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 ZINC000033416076 569626092 /nfs/dbraw/zinc/62/60/92/569626092.db2.gz FRZIGMHEWZZMRH-UDWIEESQSA-N 0 1 495.329 5.432 40 0 JKABMN CCOC(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)cc1 ZINC000033593635 569628406 /nfs/dbraw/zinc/62/84/06/569628406.db2.gz NBURQNSKHLZGJM-UHFFFAOYSA-N 0 1 486.977 5.187 40 0 JKABMN CCc1ccc(N2C(=O)C(=Cc3ccccc3OCc3cccc(C)c3)C(=O)NC2=S)cc1 ZINC000033611733 569628764 /nfs/dbraw/zinc/62/87/64/569628764.db2.gz GNUUUJJEZQKJFH-XQNSMLJCSA-N 0 1 456.567 5.808 40 0 JKABMN CCc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C(=O)NC2=S)cc1 ZINC000033687643 569630764 /nfs/dbraw/zinc/63/07/64/569630764.db2.gz PWGHHDCVINVYKJ-LDADJPATSA-N 0 1 481.917 5.742 40 0 JKABMN Cc1ccc(NC(=O)COc2cccc(C=C3C(=O)NC(=S)N(c4ccccc4C)C3=O)c2)cc1C ZINC000033694887 569630928 /nfs/dbraw/zinc/63/09/28/569630928.db2.gz UGBKSVJLYISUEE-HZHRSRAPSA-N 0 1 499.592 5.301 40 0 JKABMN CN1CCN(c2ccccc2NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)CC1 ZINC000033741424 569633125 /nfs/dbraw/zinc/63/31/25/569633125.db2.gz SSLOORWMLFWPAL-DHZHZOJOSA-N 0 1 456.373 5.657 40 0 JKABMN COC(=O)c1cccc(Cn2cc(C=C3C(=O)NC(=S)N(c4ccccc4)C3=O)c3ccccc32)c1 ZINC000033850451 569636154 /nfs/dbraw/zinc/63/61/54/569636154.db2.gz CZFTXQAGKHCNKL-HZHRSRAPSA-N 0 1 495.560 5.148 40 0 JKABMN CCOc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000033850579 569636290 /nfs/dbraw/zinc/63/62/90/569636290.db2.gz SPYAKUAYRMOOFZ-VCHYOVAHSA-N 0 1 498.894 5.552 40 0 JKABMN CCOc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C)c2C)c1 ZINC000034745166 569655575 /nfs/dbraw/zinc/65/55/75/569655575.db2.gz XATOVRSFCTYALF-UHFFFAOYSA-N 0 1 458.967 5.409 40 0 JKABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc4ccccc43)ccc2Cl)c1 ZINC000035074045 569674262 /nfs/dbraw/zinc/67/42/62/569674262.db2.gz VDGWKQPBRVHEPR-UHFFFAOYSA-N 0 1 450.947 5.855 40 0 JKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(Br)c3)ccc2Cl)cc1C ZINC000035104367 569674875 /nfs/dbraw/zinc/67/48/75/569674875.db2.gz KDLHTTPCYRCUTO-UHFFFAOYSA-N 0 1 493.810 5.772 40 0 JKABMN CCOc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000035108979 569675131 /nfs/dbraw/zinc/67/51/31/569675131.db2.gz HSHVDTATSAHRBD-VXLYETTFSA-N 0 1 498.894 5.552 40 0 JKABMN C[C@@H]1CCCCN1CC(=O)N1N=C2/C(=C\c3ccc(Cl)cc3)CCC[C@H]2[C@H]1c1ccc(Cl)cc1 ZINC000035316488 569680556 /nfs/dbraw/zinc/68/05/56/569680556.db2.gz XNSULRDAZVJFJG-BJRCIYAESA-N 0 1 496.482 6.991 40 0 JKABMN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1cc(Br)ccc1OCc1cccc(F)c1 ZINC000035352420 569681798 /nfs/dbraw/zinc/68/17/98/569681798.db2.gz OZPFGCZLAHICGQ-YBFXNURJSA-N 0 1 499.292 5.263 40 0 JKABMN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1ccccc1OCc1ccc(Cl)c(Cl)c1 ZINC000035362825 569682535 /nfs/dbraw/zinc/68/25/35/569682535.db2.gz QSLSNAVGAQNJRH-GZTJUZNOSA-N 0 1 471.296 5.668 40 0 JKABMN COc1ccc(OC)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)c1 ZINC000035376244 569684907 /nfs/dbraw/zinc/68/49/07/569684907.db2.gz VVKUEBXFCKUJGC-UHFFFAOYSA-N 0 1 474.966 5.027 40 0 JKABMN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1ccc(-c2ccc(Br)c(Cl)c2)o1 ZINC000035394358 569687234 /nfs/dbraw/zinc/68/72/34/569687234.db2.gz QEDFKTHOOAYUMU-NTEUORMPSA-N 0 1 475.682 5.458 40 0 JKABMN COc1ccc([C@H]2N(c3ccccc3)O[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@]23c2ccccc2)cc1 ZINC000036006978 569747680 /nfs/dbraw/zinc/74/76/80/569747680.db2.gz UXUOYKZOFGFALT-ZKKGZRQESA-N 0 1 494.522 5.207 40 0 JKABMN COc1ccc([C@H]2N(c3ccccc3)OC3C(=O)N(c4ccc(F)cc4)C(=O)[C@]32c2ccccc2)cc1 ZINC000036006978 569747682 /nfs/dbraw/zinc/74/76/82/569747682.db2.gz UXUOYKZOFGFALT-ZKKGZRQESA-N 0 1 494.522 5.207 40 0 JKABMN COc1ccccc1[C@H]1c2c(O)n(-c3ccc(Cl)c(Cl)c3)c(O)c2ON1c1ccccc1 ZINC000101035563 569780323 /nfs/dbraw/zinc/78/03/23/569780323.db2.gz HEBPGXFSRJKKIQ-FKBYEOEOSA-N 0 1 469.324 5.053 40 0 JKABMN CCCOc1ccc(N2C(=O)[C@@H]3[C@H](c4cn(C)c5ccccc45)N(c4ccccc4)O[C@@H]3C2=O)cc1 ZINC000101054456 569780496 /nfs/dbraw/zinc/78/04/96/569780496.db2.gz DEHFZJUHONNBRJ-PVHODMMVSA-N 0 1 481.552 5.018 40 0 JKABMN CCCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000101142326 569784455 /nfs/dbraw/zinc/78/44/55/569784455.db2.gz TWAUFHMPHXIOKH-PVHODMMVSA-N 0 1 486.568 5.234 40 0 JKABMN CCCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]3ON2c2ccccc2)cc1OC ZINC000101142326 569784457 /nfs/dbraw/zinc/78/44/57/569784457.db2.gz TWAUFHMPHXIOKH-PVHODMMVSA-N 0 1 486.568 5.234 40 0 JKABMN CSc1ccc([C@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000101181269 569786231 /nfs/dbraw/zinc/78/62/31/569786231.db2.gz BTIOOIGGHNJAGI-FKBYEOEOSA-N 0 1 450.947 5.113 40 0 JKABMN CCOc1cccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)c1 ZINC000038754052 569806661 /nfs/dbraw/zinc/80/66/61/569806661.db2.gz METSSRHSJNCTJJ-UHFFFAOYSA-N 0 1 472.994 5.086 40 0 JKABMN O=C([C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1)N(Cc1ccccc1)Cc1ccccc1 ZINC000038833086 569808754 /nfs/dbraw/zinc/80/87/54/569808754.db2.gz QPGJOYLWAAGLFD-XMMPIXPASA-N 0 1 467.440 6.434 40 0 JKABMN CC(C)[C@H]1CC[C@H](C)C[C@H]1O[P@](=O)(O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C)[C@H](O)c1ccccc1 ZINC000102134318 569810098 /nfs/dbraw/zinc/81/00/98/569810098.db2.gz DQRWNVQUCUAZIB-UBFNBQFUSA-N 0 1 464.627 7.825 40 0 JKABMN Cc1cc(CSc2ccccc2)ccc1NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000039747834 569811277 /nfs/dbraw/zinc/81/12/77/569811277.db2.gz FEBPKCHKKRKBPX-UHFFFAOYSA-N 0 1 465.062 6.791 40 0 JKABMN O=C(NCCSCc1ccc(Cl)cc1Cl)C1CCN(Cc2ccccc2Cl)CC1 ZINC000039756168 569811486 /nfs/dbraw/zinc/81/14/86/569811486.db2.gz PYUUBCVDYBWJDV-UHFFFAOYSA-N 0 1 471.881 5.908 40 0 JKABMN O=C(NCc1ccccc1)c1ccccc1NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000039757444 569811528 /nfs/dbraw/zinc/81/15/28/569811528.db2.gz AUKLQKVFWMHUBW-UHFFFAOYSA-N 0 1 461.993 5.121 40 0 JKABMN Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)C3CC[NH+](Cc4ccccc4C)CC3)cc2)c1 ZINC000039772623 569811957 /nfs/dbraw/zinc/81/19/57/569811957.db2.gz ADZSAECGTTWVFV-UHFFFAOYSA-N 0 1 491.657 5.263 40 0 JKABMN Cc1ccc([C@@H](O)[P@](=O)(O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)cc1 ZINC000102704008 569816396 /nfs/dbraw/zinc/81/63/96/569816396.db2.gz CXJVPNVSOOKWQM-MXBQIASVSA-N 0 1 478.654 8.134 40 0 JKABMN Oc1c2c(c(O)n1-c1cc(Cl)cc(Cl)c1)[C@H](c1cccc3ccccc31)N(c1ccccc1)O2 ZINC000102706267 569816412 /nfs/dbraw/zinc/81/64/12/569816412.db2.gz IWVMXDZNASXNLL-SDHOMARFSA-N 0 1 489.358 6.198 40 0 JKABMN O=C1[C@@H]2[C@H](c3cccc4ccccc43)N(c3ccccc3)O[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102707311 569816522 /nfs/dbraw/zinc/81/65/22/569816522.db2.gz IWRYMFUIBSOYMV-DSITVLBTSA-N 0 1 454.913 5.544 40 0 JKABMN Oc1c2c(c(O)n1-c1ccc(Cl)c(F)c1)[C@H](c1cccc3ccccc31)N(c1ccccc1)O2 ZINC000102707260 569816587 /nfs/dbraw/zinc/81/65/87/569816587.db2.gz MHLNKFGUIRISRN-DSITVLBTSA-N 0 1 472.903 5.683 40 0 JKABMN Oc1c2c(c(O)n1-c1ccc(Cl)cc1)[C@H](c1cc3ccccc3nc1Cl)N(c1ccccc1)O2 ZINC000102730410 569818100 /nfs/dbraw/zinc/81/81/00/569818100.db2.gz MQPPHYGHLMXTPS-VABKMULXSA-N 0 1 490.346 5.593 40 0 JKABMN CCCC[C@@H](CC)[C@H]1c2c(O)n(-c3ccc(OCCC)cc3)c(O)c2ON1c1ccccc1 ZINC000102729712 569818183 /nfs/dbraw/zinc/81/81/83/569818183.db2.gz VEZFHJVGNZZXTO-SXPGVMETSA-N 0 1 450.579 5.370 40 0 JKABMN CCCC[C@@H](CC)[C@@H]1c2c(O)n(-c3ccc(OCCC)cc3)c(O)c2ON1c1ccccc1 ZINC000102729716 569818191 /nfs/dbraw/zinc/81/81/91/569818191.db2.gz VEZFHJVGNZZXTO-NTMFSWBNSA-N 0 1 450.579 5.370 40 0 JKABMN COc1ccc([C@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)c(OC)c1 ZINC000102736444 569818665 /nfs/dbraw/zinc/81/86/65/569818665.db2.gz LSOWSSNQULASJV-XPWALMASSA-N 0 1 499.350 5.062 40 0 JKABMN CCCCOc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@@H]3ON2c2ccccc2)cc1OC ZINC000102738017 569818870 /nfs/dbraw/zinc/81/88/70/569818870.db2.gz GXPWKMBLSASAPE-KWXIBIRDSA-N 0 1 486.568 5.234 40 0 JKABMN CCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4C)C(=O)[C@@H]3ON2c2ccccc2)cc1OCC ZINC000102742131 569819309 /nfs/dbraw/zinc/81/93/09/569819309.db2.gz MMWXNOTWBPHFDY-KWXIBIRDSA-N 0 1 486.568 5.234 40 0 JKABMN O[C@H](COCC(c1ccccc1)c1ccccc1)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000040373118 569824229 /nfs/dbraw/zinc/82/42/29/569824229.db2.gz IKIGGXWMIKZOCR-SANMLTNESA-N 0 1 484.562 5.037 40 0 JKABMN CSc1ccc([C@H]2c3c(O)n(-c4ccc(C(F)(F)F)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000103187973 569833741 /nfs/dbraw/zinc/83/37/41/569833741.db2.gz HAJUGEUHVOQGPR-FDFHNCONSA-N 0 1 484.499 5.478 40 0 JKABMN CSc1ccc([C@H]2c3c(O)n(-c4ccc(C(F)(F)F)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000103187981 569833759 /nfs/dbraw/zinc/83/37/59/569833759.db2.gz HAJUGEUHVOQGPR-BHIFYINESA-N 0 1 484.499 5.478 40 0 JKABMN CCCCCCOc1ccc([C@@H]2CC(=Nc3ccc(C)cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000103768120 569837864 /nfs/dbraw/zinc/83/78/64/569837864.db2.gz QNDWFHWRIGSIEL-LJAQVGFWSA-N 0 1 454.614 7.346 40 0 JKABMN Cc1ccc(N=C2C[C@H](c3cccc4ccccc43)N(c3ccc(C)c(Cl)c3)C2=O)cc1Cl ZINC000103764463 569837913 /nfs/dbraw/zinc/83/79/13/569837913.db2.gz SCZXTEAIZZNIMR-HHHXNRCGSA-N 0 1 473.403 7.847 40 0 JKABMN Clc1ccc(N=C(NCc2ccc(Br)cc2)C(c2ccccc2)c2ccccc2)cc1 ZINC000107680345 569856986 /nfs/dbraw/zinc/85/69/86/569856986.db2.gz SMADKLPEWMYYTO-UHFFFAOYSA-N 0 1 489.844 7.721 40 0 JKABMN O=C(Nc1cc(Cl)ccc1Cl)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000107809998 569857483 /nfs/dbraw/zinc/85/74/83/569857483.db2.gz HNMJTKOLVKZFCL-UHFFFAOYSA-N 0 1 455.750 5.700 40 0 JKABMN COc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(Br)c4ccccc34)n2)cc1 ZINC000107869297 569857746 /nfs/dbraw/zinc/85/77/46/569857746.db2.gz FKECNUWVQMCRJC-UHFFFAOYSA-N 0 1 469.364 5.127 40 0 JKABMN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2Cl)c1 ZINC000108276690 569859371 /nfs/dbraw/zinc/85/93/71/569859371.db2.gz ULHHHOKBYIDWPD-UHFFFAOYSA-N 0 1 482.911 6.029 40 0 JKABMN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3cccc4ccccc43)ccc2Cl)c1 ZINC000108953405 569860019 /nfs/dbraw/zinc/86/00/19/569860019.db2.gz MITLPESOPFEULA-UHFFFAOYSA-N 0 1 464.974 6.163 40 0 JKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)ccc2Cl)cc1C ZINC000108975189 569860061 /nfs/dbraw/zinc/86/00/61/569860061.db2.gz FIHHQTAWECVHET-UHFFFAOYSA-N 0 1 483.804 6.317 40 0 JKABMN COc1ccc([C@H]2c3c(O)n(-c4cccc(Cl)c4)c(O)c3ON2c2ccc(Cl)cc2)c(OC)c1 ZINC000135682462 569864425 /nfs/dbraw/zinc/86/44/25/569864425.db2.gz YCKZIYVRIPZFNG-RJGXRXQPSA-N 0 1 499.350 5.062 40 0 JKABMN CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C)c2C)c1)c1ccccc1 ZINC000216379558 569878541 /nfs/dbraw/zinc/87/85/41/569878541.db2.gz VCUQKAXBVRIIFL-OAQYLSRUSA-N 0 1 456.995 5.639 40 0 JKABMN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCCSC3CCCC3)ccc2Cl)c1 ZINC000222562023 569885869 /nfs/dbraw/zinc/88/58/69/569885869.db2.gz PZCFTDXLYYNPGV-UHFFFAOYSA-N 0 1 467.056 5.163 40 0 JKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCSC3CCCC3)ccc2Cl)c(C)c1 ZINC000222653790 569887783 /nfs/dbraw/zinc/88/77/83/569887783.db2.gz AVQZBRHDTAUBAK-UHFFFAOYSA-N 0 1 467.056 5.163 40 0 JKABMN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(Cl)c(O)c(I)c3)N21 ZINC000222687792 569888523 /nfs/dbraw/zinc/88/85/23/569888523.db2.gz QPYSRKPVSHEWSD-XFBWCDHKSA-N 0 1 485.778 5.025 40 0 JKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc4ccccc4c3)ccc2Cl)cc1 ZINC000222771493 569890669 /nfs/dbraw/zinc/89/06/69/569890669.db2.gz WDTHNGQKZCYENK-UHFFFAOYSA-N 0 1 464.974 5.532 40 0 JKABMN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2cccc3ccccc32)ccc1Cl ZINC000222849980 569892656 /nfs/dbraw/zinc/89/26/56/569892656.db2.gz MPDCLZUWHKKGRT-UHFFFAOYSA-N 0 1 464.974 5.532 40 0 JKABMN C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1)c1ccc2c(c1)CCCC2 ZINC000222933926 569894775 /nfs/dbraw/zinc/89/47/75/569894775.db2.gz OQKRBLBNJXTGBX-QGZVFWFLSA-N 0 1 469.006 5.511 40 0 JKABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)ccc2Cl)c1C ZINC000222934566 569894828 /nfs/dbraw/zinc/89/48/28/569894828.db2.gz LRDJKOPWAGZLLZ-LJQANCHMSA-N 0 1 497.060 6.127 40 0 JKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)ccc2Cl)cc1C ZINC000222935021 569894860 /nfs/dbraw/zinc/89/48/60/569894860.db2.gz SQHLPUCZGZHPJI-LJQANCHMSA-N 0 1 497.060 6.127 40 0 JKABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccc2Cl)cc1C ZINC000222989496 569896351 /nfs/dbraw/zinc/89/63/51/569896351.db2.gz DBQHFOJYXWVBJB-UHFFFAOYSA-N 0 1 496.938 5.706 40 0 JKABMN 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