smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCNC(=O)Nc1ccc(N2CCOCC2)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000009468264 132231877 /nfs/dbraw/zinc/23/18/77/132231877.db2.gz JZKWBWQBFXBYNW-UHFFFAOYSA-N -1 1 434.518 2.474 50 0 IEAAMM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(S(=O)(=O)NC4CC4)cc3)ccc21 ZINC000012508234 519563828 /nfs/dbraw/zinc/56/38/28/519563828.db2.gz XCCJIUVEWKBGQA-UHFFFAOYSA-N -1 1 449.554 2.227 50 0 IEAAMM COc1ccc(Cn2c(=O)[nH]c([O-])c([C@H]3NCCc4c5cc(OC)ccc5[nH]c43)c2=O)cc1 ZINC000020610613 524256365 /nfs/dbraw/zinc/25/63/65/524256365.db2.gz NBORDIWHEORJMZ-OAQYLSRUSA-N -1 1 448.479 2.024 50 0 biogenic IEAAMM COc1ccc(Cn2c([O-])c([C@H]3NCCc4c5cc(OC)ccc5[nH]c43)c(=O)[nH]c2=O)cc1 ZINC000020610613 524256367 /nfs/dbraw/zinc/25/63/67/524256367.db2.gz NBORDIWHEORJMZ-OAQYLSRUSA-N -1 1 448.479 2.024 50 0 biogenic IEAAMM COc1ccc([N-]S(=O)(=O)c2cccc(NC(=O)CNC(=O)c3ccco3)c2)cc1 ZINC000022678295 524697217 /nfs/dbraw/zinc/69/72/17/524697217.db2.gz APNYOHJFISPTCZ-UHFFFAOYSA-N -1 1 429.454 2.458 50 0 IEAAMM Cc1c2ccc([O-])cc2oc(=O)c1CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020622304 525966328 /nfs/dbraw/zinc/96/63/28/525966328.db2.gz BGTWBQPKTOINPP-UHFFFAOYSA-N -1 1 436.464 2.423 50 0 IEAAMM O=C(Cc1c(F)cccc1Cl)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000012860986 527198658 /nfs/dbraw/zinc/19/86/58/527198658.db2.gz ZPWWREUAGAPJMR-UHFFFAOYSA-N -1 1 428.869 2.387 50 0 IEAAMM COc1ccc2c(c1OC)C(=O)O[C@@H]2c1c(=O)[nH]c(=O)n(-c2ccc(Cl)cc2)c1[O-] ZINC000002269675 555764125 /nfs/dbraw/zinc/76/41/25/555764125.db2.gz QDWRUVDTRCBFHT-HNNXBMFYSA-N -1 1 430.800 2.162 50 0 IEAAMM O=C(Cc1sc(N2CCCCC2)nc1[O-])Nc1cccc(C(=O)NC2=NCCS2)c1 ZINC000013117629 556470428 /nfs/dbraw/zinc/47/04/28/556470428.db2.gz BUPNDDMZNSEJTC-OAHLLOKOSA-N -1 1 445.570 2.332 50 0 IEAAMM Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])cc2)n1 ZINC000013250530 556500713 /nfs/dbraw/zinc/50/07/13/556500713.db2.gz RQRFFPJXFOYGDK-SJORKVTESA-N -1 1 430.486 2.500 50 0 IEAAMM C[C@H](Sc1nc(-c2ccccc2)cc(=O)[n-]1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000013570087 556521649 /nfs/dbraw/zinc/52/16/49/556521649.db2.gz IMUFDTRKOHFJKS-LBPRGKRZSA-N -1 1 430.511 2.204 50 0 IEAAMM O=C(CSc1nc(CC(=O)NC2CC2)cc(=O)[n-]1)Nc1ccc(OC(F)(F)F)cc1 ZINC000023145237 557026789 /nfs/dbraw/zinc/02/67/89/557026789.db2.gz OPMWKFLDPGVAAK-UHFFFAOYSA-N -1 1 442.419 2.220 50 0 IEAAMM COC(=O)CNC(=O)[C@H]1CCCN(c2nc(=O)c3scc(-c4ccc(C)cc4)c3[n-]2)C1 ZINC000049421304 557107845 /nfs/dbraw/zinc/10/78/45/557107845.db2.gz XLQYHEBGPDRLSP-HNNXBMFYSA-N -1 1 440.525 2.466 50 0 IEAAMM CC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3cc(=O)oc4cc([O-])ccc34)CC2)c1 ZINC000025024280 557189753 /nfs/dbraw/zinc/18/97/53/557189753.db2.gz HNDCGYHQMSJJBZ-UHFFFAOYSA-N -1 1 442.493 2.208 50 0 IEAAMM COc1cccc(-c2nc3c(N)n(-c4cccc(C(F)(F)F)c4)c(=O)nc3c(=O)[n-]2)c1O ZINC000100943920 557279393 /nfs/dbraw/zinc/27/93/93/557279393.db2.gz DJJVCDNIUCMPJB-UHFFFAOYSA-N -1 1 445.357 2.282 50 0 IEAAMM COc1ccc([C@@H]2CC(c3c(=O)[nH]c(=O)n(-c4ccccc4C)c3[O-])=NN2C(C)=O)cc1 ZINC000101456260 557286810 /nfs/dbraw/zinc/28/68/10/557286810.db2.gz FSCSFOJQCNXKRQ-IBGZPJMESA-N -1 1 434.452 2.246 50 0 IEAAMM CCOc1ccc([C@H]2CC(c3c([O-])[nH]c(=O)n(Cc4ccccc4)c3=O)=NN2C(C)=O)cc1 ZINC000101456338 557287129 /nfs/dbraw/zinc/28/71/29/557287129.db2.gz SVDQNTRCJVOVGP-HXUWFJFHSA-N -1 1 448.479 2.387 50 0 IEAAMM O=c1[nH]c([O-])c(C2=NN[C@H](c3ccc(Br)cc3)C2)c(=O)n1Cc1ccccc1 ZINC000101762415 557297182 /nfs/dbraw/zinc/29/71/82/557297182.db2.gz OAUNVFPRUZMUOD-HNNXBMFYSA-N -1 1 441.285 2.492 50 0 IEAAMM COc1ccc([C@H]2CC(c3c(=O)[nH]c(=O)n(-c4cc(C)cc(C)c4)c3[O-])=NN2)cc1OC ZINC000101762964 557297475 /nfs/dbraw/zinc/29/74/75/557297475.db2.gz WEMVKJANYNGJJK-MRXNPFEDSA-N -1 1 436.468 2.304 50 0 IEAAMM Cc1cc2c(cc1[N-]S(=O)(=O)c1ccc(Br)cc1)n(C)c(=O)c(=O)n2C ZINC000008604807 562956427 /nfs/dbraw/zinc/95/64/27/562956427.db2.gz KERUTHIRDDHNQK-UHFFFAOYSA-N -1 1 438.303 2.109 50 0 IEAAMM Cc1nn(-c2ccccc2)c2[n-]cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c(=O)c12 ZINC000015391738 568761649 /nfs/dbraw/zinc/76/16/49/568761649.db2.gz KBKSOOFWMGRZTM-UHFFFAOYSA-N -1 1 431.452 2.213 50 0 IEAAMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000084005025 568789753 /nfs/dbraw/zinc/78/97/53/568789753.db2.gz NSUDIIWFRQHYBF-FQEVSTJZSA-N -1 1 440.544 2.055 50 0 IEAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCN4C(=O)OC[C@@H]4C3)cc2)cc1C ZINC000084180898 568795847 /nfs/dbraw/zinc/79/58/47/568795847.db2.gz IAXHOSOGJPDVJV-SFHVURJKSA-N -1 1 429.498 2.381 50 0 IEAAMM COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3CC(=O)N2CCCC2)c1 ZINC000085651561 568831435 /nfs/dbraw/zinc/83/14/35/568831435.db2.gz IKPIXGFMVCSBIX-UHFFFAOYSA-N -1 1 447.538 2.495 50 0 IEAAMM CCC(=O)N1N=C(c2c(=O)[nH]c(=S)n(C)c2[O-])C[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000015834893 568843321 /nfs/dbraw/zinc/84/33/21/568843321.db2.gz CJPLZRIRJGPTPG-GFCCVEGCSA-N -1 1 448.501 2.262 50 0 IEAAMM CCCOC(=O)Cn1c2ccc(S(=O)(=O)[N-]c3ccc(C(=O)OC)cc3)cc2oc1=O ZINC000064818911 568965675 /nfs/dbraw/zinc/96/56/75/568965675.db2.gz PFUBWZIRNNKRLR-UHFFFAOYSA-N -1 1 448.453 2.135 50 0 IEAAMM CCCS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)c(OC)c1 ZINC000170591074 569140933 /nfs/dbraw/zinc/14/09/33/569140933.db2.gz ZFUBLCOPNYRLPH-UHFFFAOYSA-N -1 1 428.488 2.346 50 0 IEAAMM NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(NC(=O)N3CCCCC3)cc2)cc1 ZINC000010059502 569152164 /nfs/dbraw/zinc/15/21/64/569152164.db2.gz MTRHTGAYLBMIGF-UHFFFAOYSA-N -1 1 438.531 2.153 50 0 IEAAMM CCOc1cc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)ccc1OCC(=O)N1CCCCC1 ZINC000095432799 569366391 /nfs/dbraw/zinc/36/63/91/569366391.db2.gz AOWALTSXYGDRKD-KRWDZBQOSA-N -1 1 442.520 2.010 50 0 IEAAMM O=S(=O)([N-]c1cccc(Cl)c1)c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 ZINC000031772946 569457269 /nfs/dbraw/zinc/45/72/69/569457269.db2.gz NFYPHLRMJNOHJH-INIZCTEOSA-N -1 1 449.959 2.102 50 0 IEAAMM Cc1cc(C)cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CCC(=O)[O-])N[C@]32C(=O)Nc3ccccc32)c1 ZINC000008789119 569475912 /nfs/dbraw/zinc/47/59/12/569475912.db2.gz YWOAWPNVTVYAFW-GHCZAOPSSA-N -1 1 433.464 2.093 50 0 biogenic IEAAMM CCc1c(C)nc(-n2nc(C)cc2NC(=O)C(=O)NCCc2c[nH]c3ccccc23)[n-]c1=O ZINC000009039426 569497436 /nfs/dbraw/zinc/49/74/36/569497436.db2.gz BHVCNHCNZHIKPW-UHFFFAOYSA-N -1 1 447.499 2.326 50 0 IEAAMM C[C@H](NC(=O)C[C@@H](CNC(=O)[C@@H]1Cc2ccccc2CN1)c1ccc(Cl)cc1)C(=O)[O-] ZINC000009435360 569534863 /nfs/dbraw/zinc/53/48/63/569534863.db2.gz RZVSRXZQGHHOQZ-DCPHZVHLSA-N -1 1 443.931 2.234 50 0 IEAAMM C[C@@H]1CCC[C@@H](NC(=O)c2c[n-]c3ccc(S(=O)(=O)N4CCOCC4)cc3c2=O)[C@@H]1C ZINC000009495516 569541131 /nfs/dbraw/zinc/54/11/31/569541131.db2.gz LJHFIKNUNWDBPX-SPYBWZPUSA-N -1 1 447.557 2.104 50 0 IEAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)NC(C)C)cc2)cc1NC(C)=O ZINC000009508717 569542411 /nfs/dbraw/zinc/54/24/11/569542411.db2.gz YUCULFLRKQPACV-UHFFFAOYSA-N -1 1 441.531 2.141 50 0 IEAAMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1 ZINC000009613467 569553054 /nfs/dbraw/zinc/55/30/54/569553054.db2.gz MUEXDMPFQDZJHB-UHFFFAOYSA-N -1 1 426.516 2.223 50 0 IEAAMM CCc1ccc(NC(=O)COC(=O)C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1 ZINC000009633832 569554325 /nfs/dbraw/zinc/55/43/25/569554325.db2.gz LEECNQPOLJMFRQ-UHFFFAOYSA-N -1 1 430.404 2.127 50 0 IEAAMM Cc1ccc(C)c(NC(=O)COC(=O)C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC000009633833 569554328 /nfs/dbraw/zinc/55/43/28/569554328.db2.gz DNPBZWOEXADKHU-UHFFFAOYSA-N -1 1 430.404 2.181 50 0 IEAAMM CCc1c(C)nc(-n2nc(C)cc2NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)[n-]c1=O ZINC000009660397 569556791 /nfs/dbraw/zinc/55/67/91/569556791.db2.gz BDRORDKHSWXYQJ-CQSZACIVSA-N -1 1 438.463 2.266 50 0 IEAAMM O=C(NCCCn1ccnc1)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC000009715169 569563016 /nfs/dbraw/zinc/56/30/16/569563016.db2.gz YAIBJTKMNSGHBD-UHFFFAOYSA-N -1 1 428.470 2.233 50 0 IEAAMM CSc1nc(COC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc(=O)[n-]1 ZINC000009742785 569565442 /nfs/dbraw/zinc/56/54/42/569565442.db2.gz WZMRKJZUXPXZOA-INIZCTEOSA-N -1 1 439.559 2.237 50 0 IEAAMM CC1(C)CN(C(=O)C2CC2)c2ccc(S(=O)(=O)[N-]c3ccc(S(N)(=O)=O)cc3)cc21 ZINC000035512852 520421567 /nfs/dbraw/zinc/42/15/67/520421567.db2.gz PDMSIBWILXKEDL-UHFFFAOYSA-N -1 1 449.554 2.169 50 0 IEAAMM CCOC(=O)[C@@H]1CCCN(C(=O)c2cc([N-]S(=O)(=O)c3ccc(F)cc3)ccn2)C1 ZINC000020532882 521109105 /nfs/dbraw/zinc/10/91/05/521109105.db2.gz YMVYHTSXUUDWDY-CQSZACIVSA-N -1 1 435.477 2.437 50 0 IEAAMM CN1CCN(S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000012526136 523914591 /nfs/dbraw/zinc/91/45/91/523914591.db2.gz NLKYADSKYRWWLW-UHFFFAOYSA-N -1 1 429.951 2.077 50 0 IEAAMM COc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCc5ccccc5C4)[n-]c(=O)c32)cc1 ZINC000012389008 524612544 /nfs/dbraw/zinc/61/25/44/524612544.db2.gz QAABLNFGVUYOKW-SFHVURJKSA-N -1 1 445.479 2.406 50 0 IEAAMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCc3nnc4ccccn43)c2)cc1 ZINC000012548661 524694873 /nfs/dbraw/zinc/69/48/73/524694873.db2.gz CAEWWGMDODXPDS-UHFFFAOYSA-N -1 1 437.481 2.469 50 0 IEAAMM CSc1nc(C)c(CCC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)c(=O)[n-]1 ZINC000022422750 526211256 /nfs/dbraw/zinc/21/12/56/526211256.db2.gz DXRIWQWWAQQSCG-UHFFFAOYSA-N -1 1 430.578 2.303 50 0 IEAAMM Cc1nn2c(nc(CSc3nc(-c4ccccc4C)nc4cc(=O)[n-]n43)cc2=O)s1 ZINC000021537168 526312910 /nfs/dbraw/zinc/31/29/10/526312910.db2.gz DGGFHWCTOWFMQZ-UHFFFAOYSA-N -1 1 437.510 2.458 50 0 IEAAMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000012747013 526971076 /nfs/dbraw/zinc/97/10/76/526971076.db2.gz ZLXPOHTXAFHKTB-UHFFFAOYSA-N -1 1 426.395 2.385 50 0 IEAAMM Cn1cnnc1Sc1ccccc1[N-]S(=O)(=O)CCN1C(=O)c2ccccc2C1=O ZINC000012772926 527531117 /nfs/dbraw/zinc/53/11/17/527531117.db2.gz DIEFZNCEKKTKEP-UHFFFAOYSA-N -1 1 443.510 2.004 50 0 IEAAMM Nc1cc(=O)[n-]c(SCC(=O)Nc2ncc(Br)cc2Br)n1 ZINC000001002600 555600567 /nfs/dbraw/zinc/60/05/67/555600567.db2.gz KQFXUDACTSLTNF-UHFFFAOYSA-N -1 1 435.101 2.003 50 0 IEAAMM CC(C)(C)OC(=O)NCCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1[O-] ZINC000032855822 556433176 /nfs/dbraw/zinc/43/31/76/556433176.db2.gz VRNWUOGXZQJGRD-UHFFFAOYSA-N -1 1 427.523 2.420 50 0 IEAAMM COC(=O)CN(C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)C1CCOCC1 ZINC000072303743 556548110 /nfs/dbraw/zinc/54/81/10/556548110.db2.gz NMYFFNRYCFIIJQ-UHFFFAOYSA-N -1 1 432.498 2.282 50 0 IEAAMM O=c1[n-]c(CNc2ccc(Br)cc2)nn1Cc1nnnn1-c1ccc(F)cc1 ZINC000061720218 556726592 /nfs/dbraw/zinc/72/65/92/556726592.db2.gz WFQYYAXHAHUGEQ-UHFFFAOYSA-N -1 1 445.256 2.109 50 0 IEAAMM O=C(c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c1)N1CCC[C@@H](O)C1 ZINC000058341021 556781777 /nfs/dbraw/zinc/78/17/77/556781777.db2.gz TULGBMAVNBHINP-QGZVFWFLSA-N -1 1 432.498 2.246 50 0 IEAAMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)N(Cc2noc(C)n2)C(=O)CO3)cc1 ZINC000046145482 557043775 /nfs/dbraw/zinc/04/37/75/557043775.db2.gz BGIVXJRMNNNFAY-UHFFFAOYSA-N -1 1 442.453 2.307 50 0 IEAAMM Cc1noc(C)c1S(=O)(=O)N1CCCN(Cc2cc(=O)oc3cc([O-])ccc23)CC1 ZINC000017523452 557092932 /nfs/dbraw/zinc/09/29/32/557092932.db2.gz BXOGOKWYYVENDS-UHFFFAOYSA-N -1 1 433.486 2.000 50 0 IEAAMM COc1ccccc1[C@@H]1CC(c2c([O-])[nH]c(=O)n(C3CCCCC3)c2=O)=NN1C(C)=O ZINC000101456791 557287272 /nfs/dbraw/zinc/28/72/72/557287272.db2.gz GIPGWZUWNIOEQT-KRWDZBQOSA-N -1 1 426.473 2.454 50 0 IEAAMM COc1ccc(OC)c([C@@H]2CC(c3c(=O)[nH]c(=O)n(-c4cccc(Cl)c4)c3[O-])=NN2)c1 ZINC000101763091 557297604 /nfs/dbraw/zinc/29/76/04/557297604.db2.gz GHLCFEDGRJLZQN-HNNXBMFYSA-N -1 1 442.859 2.341 50 0 IEAAMM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)OC[C@H](C(=O)N2CCCC2)O3)cc(OC)c1 ZINC000008604922 562956484 /nfs/dbraw/zinc/95/64/84/562956484.db2.gz WCFMUBLKGRGRDP-HXUWFJFHSA-N -1 1 448.497 2.267 50 0 IEAAMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3CC(=O)N2CCCC2)cc1 ZINC000085651564 568831443 /nfs/dbraw/zinc/83/14/43/568831443.db2.gz GVEVDNNITASLPI-UHFFFAOYSA-N -1 1 447.538 2.495 50 0 IEAAMM NS(=O)(=O)c1ccc(Nc2nc([O-])c(CC(=O)Nc3ccc(Cl)cc3)s2)cc1 ZINC000001797018 568908116 /nfs/dbraw/zinc/90/81/16/568908116.db2.gz VNDMFXSXFPVNGL-CQSZACIVSA-N -1 1 438.918 2.426 50 0 IEAAMM CCc1nc(Cn2c3ccc(S(=O)(=O)[N-]c4cccc(OC)c4)cc3oc2=O)no1 ZINC000064946874 568993724 /nfs/dbraw/zinc/99/37/24/568993724.db2.gz IOSAXAWWXBQFNH-UHFFFAOYSA-N -1 1 430.442 2.398 50 0 IEAAMM COc1ccc2c(c1)c([C@H](C(=O)[O-])[NH+]1CCN(C(=O)OC(C)(C)C)CC1)cn2CC(=O)[O-] ZINC000036356859 569084473 /nfs/dbraw/zinc/08/44/73/569084473.db2.gz DNUDWYFJFZDQSU-LJQANCHMSA-N -1 1 447.488 2.413 50 0 IEAAMM COc1ccc(NC(=O)c2nnc(C[N-]S(=O)(=O)c3ccc(C(C)=O)cc3)s2)cc1 ZINC000064991657 569084699 /nfs/dbraw/zinc/08/46/99/569084699.db2.gz XSLSSOQRWWZHDE-UHFFFAOYSA-N -1 1 446.510 2.480 50 0 IEAAMM COc1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000013734621 569156869 /nfs/dbraw/zinc/15/68/69/569156869.db2.gz FQGBCHWXTXFUNF-UHFFFAOYSA-N -1 1 442.490 2.338 50 0 IEAAMM Cc1nn(-c2nc(C)c(C)c(=O)[n-]2)c(C)c1CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000016980716 569169177 /nfs/dbraw/zinc/16/91/77/569169177.db2.gz RRLAHZACLQRRGU-UHFFFAOYSA-N -1 1 434.544 2.471 50 0 IEAAMM CCCCN1C(=O)[N-]C(=O)[C@]2(Cc3c(=O)n4ccccc4nc3N3CCCCC[C@H]32)C1=O ZINC000230030944 569418209 /nfs/dbraw/zinc/41/82/09/569418209.db2.gz IUABTZSJJDEPRP-QMHKHESXSA-N -1 1 437.500 2.069 50 0 IEAAMM O=C(NC1CCN(c2ncccn2)CC1)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000058138863 569448452 /nfs/dbraw/zinc/44/84/52/569448452.db2.gz URXBZYXVTYUOIQ-UHFFFAOYSA-N -1 1 438.513 2.071 50 0 IEAAMM CCCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)C(=O)NCCc2c[nH]c3ccccc23)n1 ZINC000009038196 569497388 /nfs/dbraw/zinc/49/73/88/569497388.db2.gz QUYHROHAOOVKTB-UHFFFAOYSA-N -1 1 447.499 2.408 50 0 IEAAMM Cc1cc(NC(=O)C(=O)N[C@H]2C[C@@H](C)CC(C)(C)C2)n(-c2nc3c(c(=O)[n-]2)CCC3)n1 ZINC000009039837 569497467 /nfs/dbraw/zinc/49/74/67/569497467.db2.gz AIGHUDDSVIQSSC-OCCSQVGLSA-N -1 1 426.521 2.022 50 0 IEAAMM O=C([O-])[C@H](Cc1ccccc1)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc2c(c1)OCO2 ZINC000040309141 569498701 /nfs/dbraw/zinc/49/87/01/569498701.db2.gz ZMBCYVCMEXUSQR-LAUBAEHRSA-N -1 1 434.452 2.491 50 0 biogenic IEAAMM CCCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)n1 ZINC000009660379 569556737 /nfs/dbraw/zinc/55/67/37/569556737.db2.gz SLNRPWGDGAHJBT-AWEZNQCLSA-N -1 1 438.463 2.347 50 0 IEAAMM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3c(c2)OC[C@@H](C(=O)N2CCOCC2)O3)c1 ZINC000009683880 569560446 /nfs/dbraw/zinc/56/04/46/569560446.db2.gz QDYKVAAKERXTBQ-FQEVSTJZSA-N -1 1 432.498 2.103 50 0 IEAAMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)N1CCN(C(=O)C2CC2)CC1 ZINC000009713473 569562619 /nfs/dbraw/zinc/56/26/19/569562619.db2.gz NPPYUADCNUAVLM-UHFFFAOYSA-N -1 1 449.479 2.460 50 0 IEAAMM O=C(Cc1sc(N2CCCC2)nc1[O-])Nc1ccc(C(=O)NCc2ccccn2)cc1 ZINC000010034875 569577382 /nfs/dbraw/zinc/57/73/82/569577382.db2.gz YIWFOBSDRFUSRD-SFHVURJKSA-N -1 1 437.525 2.434 50 0 IEAAMM CC(C)(C)[S@](=O)Cc1cccc(NC(=O)NCCS(=O)(=O)[N-]c2ccccn2)c1 ZINC000079019724 569583028 /nfs/dbraw/zinc/58/30/28/569583028.db2.gz BRFXKEQREKOOKO-NDEPHWFRSA-N -1 1 438.575 2.692 50 0 IEAAMM Cc1ccccc1N1CCN(S(=O)(=O)c2nnc([N-]C(=O)c3ccco3)s2)CC1 ZINC000009252325 132311133 /nfs/dbraw/zinc/31/11/33/132311133.db2.gz ZXFUGATYYLSRLL-UHFFFAOYSA-N -1 1 433.515 2.203 50 0 IEAAMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)c1 ZINC000012893581 520805602 /nfs/dbraw/zinc/80/56/02/520805602.db2.gz BLZHHCHNLFRHLB-UHFFFAOYSA-N -1 1 444.513 2.231 50 0 IEAAMM Cn1c(CCNC(=O)[C@@H]2CCCO2)nc2cc([N-]S(=O)(=O)c3ccccc3)ccc21 ZINC000013690885 556280425 /nfs/dbraw/zinc/28/04/25/556280425.db2.gz ZCLGBHMYDCENQL-IBGZPJMESA-N -1 1 428.514 2.212 50 0 IEAAMM Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])cc2)n1 ZINC000013250537 556500657 /nfs/dbraw/zinc/50/06/57/556500657.db2.gz RQRFFPJXFOYGDK-DLBZAZTESA-N -1 1 430.486 2.500 50 0 IEAAMM O=C1CCC(=O)N1Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cc1 ZINC000032915923 556613294 /nfs/dbraw/zinc/61/32/94/556613294.db2.gz OKQBOWBILKVZBF-UHFFFAOYSA-N -1 1 427.482 2.411 50 0 IEAAMM Cc1nn(CCO)cc1CCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000032934760 556677649 /nfs/dbraw/zinc/67/76/49/556677649.db2.gz FHVFLAWJIKIKAC-UHFFFAOYSA-N -1 1 442.541 2.347 50 0 IEAAMM CS(=O)(=O)c1n[n-]c(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)n1 ZINC000058099174 556757965 /nfs/dbraw/zinc/75/79/65/556757965.db2.gz XQDVENSGHUKOJF-UHFFFAOYSA-N -1 1 425.879 2.428 50 0 IEAAMM CS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)[n-]1 ZINC000058099174 556757967 /nfs/dbraw/zinc/75/79/67/556757967.db2.gz XQDVENSGHUKOJF-UHFFFAOYSA-N -1 1 425.879 2.428 50 0 IEAAMM CCN1c2ccc(S(=O)(=O)[N-]c3cccc(S(N)(=O)=O)c3)c3cccc(c23)C1=O ZINC000019923870 556944372 /nfs/dbraw/zinc/94/43/72/556944372.db2.gz FMLZLEXODDALNA-UHFFFAOYSA-N -1 1 431.495 2.268 50 0 IEAAMM COc1cccc(NC(=O)CSc2nc(CC(=O)NCc3ccccc3)cc(=O)[n-]2)c1 ZINC000023145285 557026923 /nfs/dbraw/zinc/02/69/23/557026923.db2.gz RJFYWHRHDIUHGL-UHFFFAOYSA-N -1 1 438.509 2.368 50 0 IEAAMM COCCNC(=O)C1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CC1 ZINC000023889197 557123813 /nfs/dbraw/zinc/12/38/13/557123813.db2.gz ASAGAPZJQZGNFD-UHFFFAOYSA-N -1 1 445.541 2.102 50 0 IEAAMM Cc1nc(SCc2ccccc2)[n-]c(=O)c1CCC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000025590433 557218081 /nfs/dbraw/zinc/21/80/81/557218081.db2.gz LNISBURMTZNHLT-UHFFFAOYSA-N -1 1 440.569 2.384 50 0 IEAAMM COc1cc([C@H]2CC(c3c([O-])n(-c4cccc(Cl)c4)c(=O)[nH]c3=O)=NN2)ccc1O ZINC000101763137 557297453 /nfs/dbraw/zinc/29/74/53/557297453.db2.gz XSVZPOMMQZNMLV-CYBMUJFWSA-N -1 1 428.832 2.038 50 0 IEAAMM CCCCn1c(=O)[nH]c([O-])c(C2=NN(C(=O)CC)[C@H](c3ccc(OC)cc3OC)C2)c1=O ZINC000101764869 557298239 /nfs/dbraw/zinc/29/82/39/557298239.db2.gz LIARJUDVYIYNTE-INIZCTEOSA-N -1 1 444.488 2.147 50 0 IEAAMM O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)Nn1c(=O)c2ccccc2[n-]c1=S ZINC000102442900 557325824 /nfs/dbraw/zinc/32/58/24/557325824.db2.gz AGSOMMRZLKRBBT-UHFFFAOYSA-N -1 1 439.522 2.106 50 0 IEAAMM CCN(c1ccccc1)S(=O)(=O)c1ccc2[n-]cc(C(=O)NCCOC)c(=O)c2c1 ZINC000004003862 562940553 /nfs/dbraw/zinc/94/05/53/562940553.db2.gz XWYPGPYVDLKBRZ-UHFFFAOYSA-N -1 1 429.498 2.120 50 0 IEAAMM CCCCNC(=O)COC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000008670831 562960802 /nfs/dbraw/zinc/96/08/02/562960802.db2.gz PKBNCZSZFFPERS-UHFFFAOYSA-N -1 1 448.497 2.332 50 0 IEAAMM CC1CCN(S(=O)(=O)c2ccc3[n-]cc(C(=O)NCc4ccco4)c(=O)c3c2)CC1 ZINC000004654566 568785403 /nfs/dbraw/zinc/78/54/03/568785403.db2.gz ZFEFRGPWEMSZPO-UHFFFAOYSA-N -1 1 429.498 2.472 50 0 IEAAMM CCS(=O)(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc21 ZINC000015781490 568825795 /nfs/dbraw/zinc/82/57/95/568825795.db2.gz MWDZLGBPHPDJJZ-UHFFFAOYSA-N -1 1 438.527 2.361 50 0 IEAAMM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3CC(=O)N2CCOCC2)c1 ZINC000085651854 568831659 /nfs/dbraw/zinc/83/16/59/568831659.db2.gz SFWLZLJDQGJTPG-UHFFFAOYSA-N -1 1 447.538 2.031 50 0 IEAAMM CCc1nc(CN2C(=O)COc3ccc(S(=O)(=O)[N-]c4cccc(F)c4)cc32)no1 ZINC000064450652 568928596 /nfs/dbraw/zinc/92/85/96/568928596.db2.gz ZXPZPNRQJKBSCX-UHFFFAOYSA-N -1 1 432.433 2.498 50 0 IEAAMM CCCOC(=O)Cn1c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)OCCO4)cc2oc1=O ZINC000064818889 568965701 /nfs/dbraw/zinc/96/57/01/568965701.db2.gz BWDQTTFKNDKIMN-UHFFFAOYSA-N -1 1 448.453 2.120 50 0 IEAAMM O=C([O-])CCn1cc([C@@H](C(=O)[O-])[N@H+]2CCCN(c3ncccn3)CC2)c2ccc(F)cc21 ZINC000036367335 569087469 /nfs/dbraw/zinc/08/74/69/569087469.db2.gz BRSMVDUDBLLSLU-FQEVSTJZSA-N -1 1 441.463 2.383 50 0 IEAAMM Cc1ccc(-c2noc(C(=O)N3CCOCC3)n2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000065319010 569134662 /nfs/dbraw/zinc/13/46/62/569134662.db2.gz RMXQOMQFUMNFMC-UHFFFAOYSA-N -1 1 446.460 2.457 50 0 IEAAMM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])[C@@H]1C[C@@H]1c1ccc(F)cc1F ZINC000170626514 569148735 /nfs/dbraw/zinc/14/87/35/569148735.db2.gz GKKZVEVLAVCZOZ-HZPDHXFCSA-N -1 1 438.452 2.434 50 0 IEAAMM Cc1noc(C)c1CN1CCN(C[C@H](CC(=O)NCc2ccccc2Cl)C(=O)[O-])CC1 ZINC000071285832 569150916 /nfs/dbraw/zinc/15/09/16/569150916.db2.gz OCIQTCTZPLDYBC-SFHVURJKSA-N -1 1 448.951 2.470 50 0 IEAAMM O=C([C@@H]1CCCO1)N1CCc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc21 ZINC000013696709 569156671 /nfs/dbraw/zinc/15/66/71/569156671.db2.gz YXWBJKVLTXAKTI-IBGZPJMESA-N -1 1 430.482 2.327 50 0 IEAAMM Cc1nn(-c2nc(C)cc(=O)[n-]2)c(C)c1CCC(=O)N1CCN(c2ccccc2F)CC1 ZINC000016849560 569164562 /nfs/dbraw/zinc/16/45/62/569164562.db2.gz LQJQQVXCPYCAOW-UHFFFAOYSA-N -1 1 438.507 2.301 50 0 IEAAMM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])c1cccc(OC(F)F)c1 ZINC000028814150 569257501 /nfs/dbraw/zinc/25/75/01/569257501.db2.gz XKXGZZSTNWRLAF-UHFFFAOYSA-N -1 1 428.413 2.267 50 0 IEAAMM COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F ZINC000009972953 569298833 /nfs/dbraw/zinc/29/88/33/569298833.db2.gz IIGIDKIMMRFTQR-UHFFFAOYSA-N -1 1 447.806 2.255 50 0 IEAAMM COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F ZINC000009972953 569298835 /nfs/dbraw/zinc/29/88/35/569298835.db2.gz IIGIDKIMMRFTQR-UHFFFAOYSA-N -1 1 447.806 2.255 50 0 IEAAMM O=C(CCn1c(=O)sc2cc(S(=O)(=O)[N-]c3ccccc3)ccc21)N1CCOCC1 ZINC000096324129 569395751 /nfs/dbraw/zinc/39/57/51/569395751.db2.gz LXDPKFFGIYJTMH-UHFFFAOYSA-N -1 1 447.538 2.113 50 0 IEAAMM CCOC(=O)c1sc2[n-]c([C@H](C)OC(=O)CN3CCSC3=O)nc(=O)c2c1C ZINC000008718922 569471327 /nfs/dbraw/zinc/47/13/27/569471327.db2.gz UGAKFSRGXCEPSL-VIFPVBQESA-N -1 1 425.488 2.243 50 0 IEAAMM CCCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)C(=O)NCc2ccccc2Cl)n1 ZINC000009038096 569497364 /nfs/dbraw/zinc/49/73/64/569497364.db2.gz FPIGASLFKWHLEG-UHFFFAOYSA-N -1 1 428.880 2.125 50 0 IEAAMM CSc1nc(COC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc(=O)[n-]1 ZINC000009316880 569522289 /nfs/dbraw/zinc/52/22/89/569522289.db2.gz CURGSHRGARWYMB-UHFFFAOYSA-N -1 1 437.543 2.332 50 0 IEAAMM CC[C@@]1(C)NC(=O)N(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)C1=O ZINC000009467487 569538452 /nfs/dbraw/zinc/53/84/52/569538452.db2.gz OUGYKMZMBWWKPD-HXUWFJFHSA-N -1 1 430.486 2.161 50 0 IEAAMM O=C(COC(=O)C[N-]S(=O)(=O)c1ccc(F)c(F)c1F)Nc1ccccc1Cl ZINC000009633829 569554337 /nfs/dbraw/zinc/55/43/37/569554337.db2.gz DCWDLBVPYCETJA-UHFFFAOYSA-N -1 1 436.795 2.218 50 0 IEAAMM Cc1cc(C)c(NC(=O)COC(=O)C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)c(C)c1 ZINC000009633834 569554342 /nfs/dbraw/zinc/55/43/42/569554342.db2.gz MBCVNONTEVIGJK-UHFFFAOYSA-N -1 1 444.431 2.489 50 0 IEAAMM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)OC[C@H](C(=O)N2CCOCC2)O3)c1C ZINC000009683794 569560432 /nfs/dbraw/zinc/56/04/32/569560432.db2.gz PWLQJRGZMIONTN-HXUWFJFHSA-N -1 1 432.498 2.103 50 0 IEAAMM O=S(=O)([N-]c1ccc2c(c1)OCCCO2)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009689965 569560903 /nfs/dbraw/zinc/56/09/03/569560903.db2.gz LUHNQNBZZCJGPW-UHFFFAOYSA-N -1 1 438.527 2.433 50 0 IEAAMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000071805066 569581826 /nfs/dbraw/zinc/58/18/26/569581826.db2.gz YPSUDFUWHKAKST-LJQANCHMSA-N -1 1 428.508 2.220 50 0 IEAAMM COC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)[N-]c3ccc(C(C)=O)cc3)cc21 ZINC000008583883 132282552 /nfs/dbraw/zinc/28/25/52/132282552.db2.gz CDEFYWKCBUDBBZ-UHFFFAOYSA-N -1 1 434.495 2.302 50 0 IEAAMM COc1cc(NC(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)c(OC)cc1Cl ZINC000012805921 522655823 /nfs/dbraw/zinc/65/58/23/522655823.db2.gz BBWHIMIEDFHVOM-UHFFFAOYSA-N -1 1 436.896 2.157 50 0 IEAAMM COc1cc(NS(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)c(C(=O)[O-])cc1OC ZINC000069515578 522754650 /nfs/dbraw/zinc/75/46/50/522754650.db2.gz VQHQBGMULBNJSD-UHFFFAOYSA-N -1 1 426.834 2.351 50 0 IEAAMM Cc1cc(C(=O)[N-]c2nnc(SCC(=O)NCc3ccc4c(c3)OCO4)s2)no1 ZINC000042379179 524188977 /nfs/dbraw/zinc/18/89/77/524188977.db2.gz VPSVSGZAWSWMNF-UHFFFAOYSA-N -1 1 433.471 2.224 50 0 IEAAMM Cc1cccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCCN4CCOCC4)CC3)cc2)c1 ZINC000033115505 524806002 /nfs/dbraw/zinc/80/60/02/524806002.db2.gz NDQYJWRKBMXHGW-UHFFFAOYSA-N -1 1 443.569 2.276 50 0 IEAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(S(C)(=O)=O)nn3)cc2)cc1OC ZINC000009650548 525081570 /nfs/dbraw/zinc/08/15/70/525081570.db2.gz JNMKUOXMHPQBJN-UHFFFAOYSA-N -1 1 449.510 2.365 50 0 IEAAMM COc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCN(CC(=O)N4CCCCCC4)CC3)c2c1 ZINC000020739153 525494516 /nfs/dbraw/zinc/49/45/16/525494516.db2.gz NCRXWCVQYNECLD-QFIPXVFZSA-N -1 1 428.533 2.322 50 0 IEAAMM Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2N2CCCC2)n(C)c(=O)c(=O)n3C)cc1C ZINC000020991637 525593746 /nfs/dbraw/zinc/59/37/46/525593746.db2.gz GYQDXEOPUGGLBC-UHFFFAOYSA-N -1 1 442.541 2.255 50 0 IEAAMM O=C(COc1ccc(Cl)cc1Cl)NCCNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000022470515 526955596 /nfs/dbraw/zinc/95/55/96/526955596.db2.gz KWTZKAGOLZOAMZ-UHFFFAOYSA-N -1 1 435.267 2.155 50 0 IEAAMM Cn1c2ccc(S(=O)(=O)[N-]c3ccc(Cc4ccncc4)cc3)cc2c(=O)n(C)c1=O ZINC000001069449 555620191 /nfs/dbraw/zinc/62/01/91/555620191.db2.gz NRHJHTONDUEZOT-UHFFFAOYSA-N -1 1 436.493 2.024 50 0 IEAAMM Cc1ccc(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000014241731 556402388 /nfs/dbraw/zinc/40/23/88/556402388.db2.gz QHKKPAWMAVUAKB-UHFFFAOYSA-N -1 1 434.861 2.078 50 0 IEAAMM O=c1[n-]nc(SCCS(=O)(=O)c2ccc(F)cc2)n1-c1ccc2c(c1)OCCO2 ZINC000013657750 556546400 /nfs/dbraw/zinc/54/64/00/556546400.db2.gz RKIYIKNRUZFVSI-UHFFFAOYSA-N -1 1 437.474 2.037 50 0 IEAAMM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1 ZINC000032906657 556553550 /nfs/dbraw/zinc/55/35/50/556553550.db2.gz FWNHLQUKCVDEIT-UHFFFAOYSA-N -1 1 437.280 2.496 50 0 IEAAMM O=C(NCCS(=O)(=O)c1ccccc1)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000058440120 556789021 /nfs/dbraw/zinc/78/90/21/556789021.db2.gz WQEDMKNEZXFOMX-UHFFFAOYSA-N -1 1 445.522 2.086 50 0 IEAAMM CS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2s1 ZINC000033298949 557075082 /nfs/dbraw/zinc/07/50/82/557075082.db2.gz FLYIIQUNXQYESK-UHFFFAOYSA-N -1 1 426.497 2.272 50 0 IEAAMM O=C(CN1CCSC1=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000011325359 557088551 /nfs/dbraw/zinc/08/85/51/557088551.db2.gz RSWVBGWVYJIPNO-UHFFFAOYSA-N -1 1 449.510 2.366 50 0 IEAAMM COc1ccc([C@H](NC(=O)CCc2c(C)nc(SC)[n-]c2=O)c2nccn2C)cc1 ZINC000024026248 557132221 /nfs/dbraw/zinc/13/22/21/557132221.db2.gz GNNAGDZMGGEILL-SFHVURJKSA-N -1 1 427.530 2.381 50 0 IEAAMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H](C)n3cncn3)cc2)c1 ZINC000024576618 557151877 /nfs/dbraw/zinc/15/18/77/557151877.db2.gz RSYXELUFTYZJPH-CYBMUJFWSA-N -1 1 429.458 2.065 50 0 IEAAMM COc1ccccc1[C@H]1CC(c2c([O-])[nH]c(=O)n(C3CCCCC3)c2=O)=NN1C(C)=O ZINC000101456794 557287226 /nfs/dbraw/zinc/28/72/26/557287226.db2.gz GIPGWZUWNIOEQT-QGZVFWFLSA-N -1 1 426.473 2.454 50 0 IEAAMM CCCCn1c(=O)[nH]c([O-])c(C2=NN(C(=O)CC)[C@@H](c3ccc(OC)cc3OC)C2)c1=O ZINC000101764873 557298326 /nfs/dbraw/zinc/29/83/26/557298326.db2.gz LIARJUDVYIYNTE-MRXNPFEDSA-N -1 1 444.488 2.147 50 0 IEAAMM O=S(=O)([N-]c1ccc(Br)c(O)c1)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000225697738 557765956 /nfs/dbraw/zinc/76/59/56/557765956.db2.gz PDLRDPVDKICDOO-UHFFFAOYSA-N -1 1 447.332 2.396 50 0 IEAAMM Cc1cccc(N(C)S(=O)(=O)c2ccc3[n-]cc(C(=O)N4CCOCC4)c(=O)c3c2)c1 ZINC000008642550 562960120 /nfs/dbraw/zinc/96/01/20/562960120.db2.gz IXVONIOBOFMIBH-UHFFFAOYSA-N -1 1 441.509 2.134 50 0 IEAAMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2cccc(S(=O)(=O)N(CC)CC)c2)n1 ZINC000015910223 568858491 /nfs/dbraw/zinc/85/84/91/568858491.db2.gz LXSUFWNRFJXVJE-UHFFFAOYSA-N -1 1 438.575 2.484 50 0 IEAAMM O=C([O-])CC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]21 ZINC000227234027 568885710 /nfs/dbraw/zinc/88/57/10/568885710.db2.gz LGEIMNNDBQRHJD-JVGYHMDPSA-N -1 1 439.855 2.130 50 0 IEAAMM Cc1ccc(NC(=O)CSc2nccc(=O)[n-]2)cc1S(=O)(=O)N1CCCCCC1 ZINC000012986745 568895100 /nfs/dbraw/zinc/89/51/00/568895100.db2.gz SZTQWNLERJHZLE-UHFFFAOYSA-N -1 1 436.559 2.374 50 0 IEAAMM O=C(CN1CCN(C(=O)c2cc(Br)ccc2[O-])CC1)NCc1ccccc1 ZINC000013005277 568899179 /nfs/dbraw/zinc/89/91/79/568899179.db2.gz ODZPWLKOIUKXAV-UHFFFAOYSA-N -1 1 432.318 2.229 50 0 IEAAMM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2c3ccccc3OC[C@H]2C)c(OC)c1 ZINC000170591080 569140820 /nfs/dbraw/zinc/14/08/20/569140820.db2.gz NWFPYFVKPCMXJU-CYBMUJFWSA-N -1 1 426.516 2.433 50 0 IEAAMM O=C1COc2ccc(S(=O)(=O)[N-]c3ccc4nc(N5CCOCC5)sc4c3)cc2N1 ZINC000014849849 569182650 /nfs/dbraw/zinc/18/26/50/569182650.db2.gz WMMUZLWUJMVOSD-UHFFFAOYSA-N -1 1 446.510 2.265 50 0 IEAAMM Cc1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)[N-]c3nncs3)cc2)cnc1Cl ZINC000095445367 569367209 /nfs/dbraw/zinc/36/72/09/569367209.db2.gz GKIOSNIFMNGOBA-UHFFFAOYSA-N -1 1 445.935 2.497 50 0 IEAAMM Cn1c(=O)oc2ccc(S(=O)(=O)[N-]c3ccc(CC(=O)NCC(F)(F)F)cc3)cc21 ZINC000096025902 569380856 /nfs/dbraw/zinc/38/08/56/569380856.db2.gz FXELDAQLHAPCIT-UHFFFAOYSA-N -1 1 443.403 2.153 50 0 IEAAMM CSc1nnnn1-c1cccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)c1 ZINC000031668738 569456957 /nfs/dbraw/zinc/45/69/57/569456957.db2.gz XEEIMHXZQWMGLF-GFCCVEGCSA-N -1 1 444.542 2.483 50 0 IEAAMM C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCC(C(=O)c3ccc([O-])cc3)CC1)C2=O ZINC000040040058 569483383 /nfs/dbraw/zinc/48/33/83/569483383.db2.gz GGMCFKJPGQDTEQ-CMJOXMDJSA-N -1 1 427.501 2.314 50 0 IEAAMM C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCC(C(=O)c3ccc([O-])cc3)CC1)C2=O ZINC000040040061 569483395 /nfs/dbraw/zinc/48/33/95/569483395.db2.gz GGMCFKJPGQDTEQ-NPMXOYFQSA-N -1 1 427.501 2.314 50 0 IEAAMM CN1CCN(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)CC1 ZINC000009090327 569501086 /nfs/dbraw/zinc/50/10/86/569501086.db2.gz RYYMTBKFIZXIDF-UHFFFAOYSA-N -1 1 442.463 2.398 50 0 IEAAMM CCc1cc2c(COC(=O)CCN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc(=O)oc2cc1[O-] ZINC000009201878 569511230 /nfs/dbraw/zinc/51/12/30/569511230.db2.gz JUWIPFNZXFYUIN-HOTGVXAUSA-N -1 1 425.437 2.446 50 0 IEAAMM O=C(NC[C@H]1CCCO1)c1cc(=O)[nH]c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc21 ZINC000009245313 569515286 /nfs/dbraw/zinc/51/52/86/569515286.db2.gz HCXNCGDUODVCCP-OAHLLOKOSA-N -1 1 445.472 2.377 50 0 IEAAMM Nc1nc(SCC(=O)NCCc2ccccc2)[n-]c(=O)c1NC(=O)c1ccccc1F ZINC000009518097 569543977 /nfs/dbraw/zinc/54/39/77/569543977.db2.gz FWQCDCXOEZJSTF-UHFFFAOYSA-N -1 1 441.488 2.195 50 0 IEAAMM CCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)n1 ZINC000009660357 569556752 /nfs/dbraw/zinc/55/67/52/569556752.db2.gz GLKMEMRJJPJBHV-CYBMUJFWSA-N -1 1 440.891 2.471 50 0 IEAAMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCOCC3)c2)cc1 ZINC000009668826 569557948 /nfs/dbraw/zinc/55/79/48/569557948.db2.gz GWQDWKYEGJMMRA-UHFFFAOYSA-N -1 1 448.497 2.145 50 0 IEAAMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OC[C@@H](C(=O)N2CCCC2)O3)cc1 ZINC000009683445 569560348 /nfs/dbraw/zinc/56/03/48/569560348.db2.gz VCUKEAAGLJKBDZ-FQEVSTJZSA-N -1 1 430.482 2.452 50 0 IEAAMM Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2N2CCOCC2)n(C)c(=O)n3C)c(C)c1 ZINC000008594384 132284415 /nfs/dbraw/zinc/28/44/15/132284415.db2.gz AKYIDWYRBKQFJU-UHFFFAOYSA-N -1 1 430.530 2.131 50 0 IEAAMM CSc1nc(COC(=O)c2ccc3c(c2)S(=O)(=O)N=C2CCCCCN32)cc(=O)[n-]1 ZINC000009731141 132327951 /nfs/dbraw/zinc/32/79/51/132327951.db2.gz HNPZHWFJRCJQQC-UHFFFAOYSA-N -1 1 448.526 2.330 50 0 IEAAMM CCCc1cc(C(=O)OC)c(NC(=O)Cc2sc(N3CCOCC3)nc2[O-])s1 ZINC000012408828 521363329 /nfs/dbraw/zinc/36/33/29/521363329.db2.gz VKKFIOQQOVNUQT-ZDUSSCGKSA-N -1 1 425.532 2.146 50 0 IEAAMM CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCCC4)[n-]c(=O)c32)cc1 ZINC000020677691 521511335 /nfs/dbraw/zinc/51/13/35/521511335.db2.gz RTLGIERXEPQXRR-HNNXBMFYSA-N -1 1 439.472 2.001 50 0 IEAAMM CN(CC(=O)NCc1ccco1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000012548552 522487511 /nfs/dbraw/zinc/48/75/11/522487511.db2.gz JQOUBAOESQDKDE-UHFFFAOYSA-N -1 1 427.482 2.469 50 0 IEAAMM COC(=O)Cc1c(C(=O)OC)sc2[n-]c(CN3CCCc4ccccc43)nc(=O)c12 ZINC000012786837 523362226 /nfs/dbraw/zinc/36/22/26/523362226.db2.gz RYDQDARWGLLSDF-UHFFFAOYSA-N -1 1 427.482 2.440 50 0 IEAAMM COCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(NC(C)=O)cc3)cc2)CC1 ZINC000033274618 523890556 /nfs/dbraw/zinc/89/05/56/523890556.db2.gz OBVLHRSKKAVMBW-UHFFFAOYSA-N -1 1 431.514 2.240 50 0 IEAAMM COc1ccc(CC[N-]S(=O)(=O)c2ccc(C(=O)Nc3cccnc3)o2)cc1OC ZINC000035597471 523975917 /nfs/dbraw/zinc/97/59/17/523975917.db2.gz HISVDVWQPONBSV-UHFFFAOYSA-N -1 1 431.470 2.465 50 0 IEAAMM C[C@@H](C(=O)Nc1nn2c([n-]1)nc(-c1ccccc1)cc2=O)N1C(=O)c2ccccc2C1=O ZINC000021171473 524286532 /nfs/dbraw/zinc/28/65/32/524286532.db2.gz PJLRHQLQOWQYPD-LBPRGKRZSA-N -1 1 428.408 2.120 50 0 IEAAMM O=C(NCCN1CCOCC1)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC000024061562 526319126 /nfs/dbraw/zinc/31/91/26/526319126.db2.gz ZZOWXKAKMAKPHN-UHFFFAOYSA-N -1 1 441.912 2.342 50 0 IEAAMM O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)c1cc2ccccc2cc1[O-] ZINC000012735957 526760472 /nfs/dbraw/zinc/76/04/72/526760472.db2.gz NCIGMQBMTLHHKH-UHFFFAOYSA-N -1 1 426.494 2.496 50 0 IEAAMM O=C(CSc1nc(-c2ccc3c(c2)OCO3)nc2cc(=O)[n-]n21)NCCc1ccccc1 ZINC000021911329 527052011 /nfs/dbraw/zinc/05/20/11/527052011.db2.gz KSHUUFDSKGCDNB-UHFFFAOYSA-N -1 1 449.492 2.264 50 0 IEAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1OC ZINC000000810797 555560575 /nfs/dbraw/zinc/56/05/75/555560575.db2.gz NRLRQFVAQARXCY-UHFFFAOYSA-N -1 1 426.516 2.289 50 0 IEAAMM O=S(=O)([N-]c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc2c(c1)OCCO2 ZINC000000881357 555577492 /nfs/dbraw/zinc/57/74/92/555577492.db2.gz JIAQOKVWGUJNPK-UHFFFAOYSA-N -1 1 438.527 2.433 50 0 IEAAMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCN(C(C)=O)CC3)cc2)cc1 ZINC000015421126 556527213 /nfs/dbraw/zinc/52/72/13/556527213.db2.gz QURWVQRVWKZKSU-UHFFFAOYSA-N -1 1 431.514 2.190 50 0 IEAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000015587100 556536167 /nfs/dbraw/zinc/53/61/67/556536167.db2.gz UMBCRRHFWRPGRE-UHFFFAOYSA-N -1 1 446.934 2.170 50 0 IEAAMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)OCC(=O)NC(N)=O)c2)cc1 ZINC000003510040 556817153 /nfs/dbraw/zinc/81/71/53/556817153.db2.gz WBNKDXKIEOPNPS-UHFFFAOYSA-N -1 1 433.486 2.182 50 0 IEAAMM O=C([O-])[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)CN1CCN(c2ncccn2)CC1 ZINC000072403078 556821195 /nfs/dbraw/zinc/82/11/95/556821195.db2.gz LYARLEMGHWBVHG-CQSZACIVSA-N -1 1 437.422 2.347 50 0 IEAAMM CCOC(=O)N1CCN(C(=O)Cc2c(C)nc(SCc3ccccc3F)[n-]c2=O)CC1 ZINC000023138631 557022125 /nfs/dbraw/zinc/02/21/25/557022125.db2.gz YZEDDNOXJAAWDK-UHFFFAOYSA-N -1 1 448.520 2.353 50 0 IEAAMM O=C(CNC(=O)c1ccccc1Cl)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000017360592 557069634 /nfs/dbraw/zinc/06/96/34/557069634.db2.gz QDSRXIJPQJXYIO-UHFFFAOYSA-N -1 1 437.905 2.199 50 0 IEAAMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2ccc(OC)c(S(=O)(=O)N(C)C)c2)n1 ZINC000018226697 557252971 /nfs/dbraw/zinc/25/29/71/557252971.db2.gz FHBLLQHYTMBQCF-UHFFFAOYSA-N -1 1 440.547 2.124 50 0 IEAAMM COc1ccc([C@H]2CC(c3c([O-])[nH]c(=O)n(C4CCCCC4)c3=O)=NN2C(C)=O)cc1 ZINC000101456272 557286682 /nfs/dbraw/zinc/28/66/82/557286682.db2.gz NAPQZEOLYDDTPE-GOSISDBHSA-N -1 1 426.473 2.454 50 0 IEAAMM COc1cc([C@@H]2CC(c3c([O-])[nH]c(=O)n(C4CCCCC4)c3=O)=NN2)cc(OC)c1OC ZINC000101762093 557297164 /nfs/dbraw/zinc/29/71/64/557297164.db2.gz NSZHMVXWMRNMHM-AWEZNQCLSA-N -1 1 444.488 2.212 50 0 IEAAMM COc1ccc([C@@H]2CC(c3c(=O)[nH]c(=O)n(-c4cc(C)cc(C)c4)c3[O-])=NN2)c(OC)c1 ZINC000101762986 557297584 /nfs/dbraw/zinc/29/75/84/557297584.db2.gz DTAMMYIZRQYPHB-KRWDZBQOSA-N -1 1 436.468 2.304 50 0 IEAAMM COc1ccc(OC)c([C@H]2CC(c3c(=O)[nH]c(=O)n(-c4cc(C)cc(C)c4)c3[O-])=NN2)c1 ZINC000101762971 557297595 /nfs/dbraw/zinc/29/75/95/557297595.db2.gz QJOZXQQSFHKWEO-QGZVFWFLSA-N -1 1 436.468 2.304 50 0 IEAAMM COc1cc([C@@H]2CC(c3c([O-])n(-c4cccc(Cl)c4)c(=O)[nH]c3=O)=NN2)ccc1O ZINC000101763130 557297618 /nfs/dbraw/zinc/29/76/18/557297618.db2.gz XSVZPOMMQZNMLV-ZDUSSCGKSA-N -1 1 428.832 2.038 50 0 IEAAMM CCc1ccccc1N(C)S(=O)(=O)c1ccc2[n-]cc(C(=O)NCCOC)c(=O)c2c1 ZINC000006296641 562946575 /nfs/dbraw/zinc/94/65/75/562946575.db2.gz XTLVLZRNLUKTCK-UHFFFAOYSA-N -1 1 443.525 2.292 50 0 IEAAMM O=C(COC(=O)Cc1sc(N2CCCC2)nc1[O-])Nc1ccc(Br)cc1 ZINC000009129175 562967648 /nfs/dbraw/zinc/96/76/48/562967648.db2.gz AMZUEMLWPJANOU-ZDUSSCGKSA-N -1 1 440.319 2.415 50 0 IEAAMM CCOC(=O)COc1c(Br)cc(/C=C2/NC(=O)[N-]C2=O)cc1Br ZINC000000980009 568648474 /nfs/dbraw/zinc/64/84/74/568648474.db2.gz DJGQGHSXCXOVOZ-BJMVGYQFSA-N -1 1 448.067 2.334 50 0 IEAAMM Cn1c2cc([N-]S(=O)(=O)c3ccc(F)cc3)c(N3CCCCC3)cc2n(C)c(=O)c1=O ZINC000015734340 568816212 /nfs/dbraw/zinc/81/62/12/568816212.db2.gz VWQCRJBBAPWILU-UHFFFAOYSA-N -1 1 446.504 2.167 50 0 IEAAMM COC(=O)c1ccc2c(c1)[n-]c(=S)n(NC(=O)c1cc(OC)c(OC)c(OC)c1)c2=O ZINC000002239630 568834900 /nfs/dbraw/zinc/83/49/00/568834900.db2.gz JTIYIIUTBAMLHT-UHFFFAOYSA-N -1 1 445.453 2.255 50 0 IEAAMM CCC(=O)N1N=C(c2c(=O)[nH]c(=S)n(C)c2[O-])C[C@H]1c1ccc(OC)c(OC)c1OC ZINC000015834896 568843388 /nfs/dbraw/zinc/84/33/88/568843388.db2.gz CJPLZRIRJGPTPG-LBPRGKRZSA-N -1 1 448.501 2.262 50 0 IEAAMM CCc1ccc(N(C)S(=O)(=O)c2ccc3[n-]cc(C(=O)NCCOC)c(=O)c3c2)cc1 ZINC000006181198 568867960 /nfs/dbraw/zinc/86/79/60/568867960.db2.gz HYLVLFBBJPHAMJ-UHFFFAOYSA-N -1 1 443.525 2.292 50 0 IEAAMM COCCNC(=O)c1c[n-]c2ccc(S(=O)(=O)N(C)c3ccccc3C)cc2c1=O ZINC000006181282 568868182 /nfs/dbraw/zinc/86/81/82/568868182.db2.gz FEDBMHWCVOALBK-UHFFFAOYSA-N -1 1 429.498 2.038 50 0 IEAAMM CC(=O)Nc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(N2CC[NH+](C)CC2)cc1C(=O)[O-] ZINC000064461980 568929721 /nfs/dbraw/zinc/92/97/21/568929721.db2.gz AAJPOTHVJUALDG-UHFFFAOYSA-N -1 1 446.529 2.204 50 0 IEAAMM Cn1c2cc(Cl)c(S(=O)(=O)[N-]c3ccc(N4CCOCC4)cc3)cc2n(C)c1=O ZINC000064976659 569077100 /nfs/dbraw/zinc/07/71/00/569077100.db2.gz QRCXGZXBRMSOQV-UHFFFAOYSA-N -1 1 436.921 2.168 50 0 IEAAMM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000170626513 569148751 /nfs/dbraw/zinc/14/87/51/569148751.db2.gz GKKZVEVLAVCZOZ-JKSUJKDBSA-N -1 1 438.452 2.434 50 0 IEAAMM CCOC(=O)Cc1csc(NC(=O)CCc2c(C)nn(-c3nc(C)cc(=O)[n-]3)c2C)n1 ZINC000016849705 569164639 /nfs/dbraw/zinc/16/46/39/569164639.db2.gz PHLUKNVGWQXKIZ-UHFFFAOYSA-N -1 1 444.517 2.014 50 0 IEAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(S(C)(=O)=O)CCC3)cc1OC ZINC000016960042 569168131 /nfs/dbraw/zinc/16/81/31/569168131.db2.gz LFPCBNZUTCYYBS-UHFFFAOYSA-N -1 1 426.516 2.217 50 0 IEAAMM CCCCN1C(=O)[N-]C(=O)[C@@]2(Cc3c(=O)n4ccccc4nc3N3CCCCC[C@H]32)C1=O ZINC000230030940 569418177 /nfs/dbraw/zinc/41/81/77/569418177.db2.gz IUABTZSJJDEPRP-HJPURHCSSA-N -1 1 437.500 2.069 50 0 IEAAMM Cc1cccc(C)c1[N-]S(=O)(=O)c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 ZINC000031772922 569457260 /nfs/dbraw/zinc/45/72/60/569457260.db2.gz PDFQULHNIHJKMH-KRWDZBQOSA-N -1 1 443.568 2.065 50 0 IEAAMM O=C(NC1CCCCCCC1)c1c[n-]c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O ZINC000008811142 569476614 /nfs/dbraw/zinc/47/66/14/569476614.db2.gz IRWPXHYHERKXDW-UHFFFAOYSA-N -1 1 447.557 2.392 50 0 IEAAMM CCS(=O)(=O)N1CCc2ccc([N-]S(=O)(=O)c3ccc(OC)c(F)c3)cc2C1 ZINC000008840368 569478325 /nfs/dbraw/zinc/47/83/25/569478325.db2.gz ILTWZVJYOPZHJF-UHFFFAOYSA-N -1 1 428.507 2.343 50 0 IEAAMM C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCC(C(=O)c3ccc([O-])cc3)CC1)C2=O ZINC000040040060 569483422 /nfs/dbraw/zinc/48/34/22/569483422.db2.gz GGMCFKJPGQDTEQ-IQMFZBJNSA-N -1 1 427.501 2.314 50 0 IEAAMM Cc1csc(NC(=O)CSc2nc(N)c(NC(=O)c3ccc(F)cc3)c(=O)[n-]2)n1 ZINC000009518068 569543851 /nfs/dbraw/zinc/54/38/51/569543851.db2.gz WHHOSGVMFVJUNE-UHFFFAOYSA-N -1 1 434.478 2.239 50 0 IEAAMM COc1ccccc1NC(=O)CSc1nc(N)c(NC(=O)c2ccc(F)cc2)c(=O)[n-]1 ZINC000009518055 569543860 /nfs/dbraw/zinc/54/38/60/569543860.db2.gz FYKJVYZHTJJPHV-UHFFFAOYSA-N -1 1 443.460 2.483 50 0 IEAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(S(C)(=O)=O)nn3)cc2)cc1F ZINC000009650550 569556510 /nfs/dbraw/zinc/55/65/10/569556510.db2.gz FJGUABGGBWDNGU-UHFFFAOYSA-N -1 1 437.474 2.496 50 0 IEAAMM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3c(c2)OC[C@H](C(=O)N2CCOCC2)O3)c1 ZINC000009683877 569560426 /nfs/dbraw/zinc/56/04/26/569560426.db2.gz QDYKVAAKERXTBQ-HXUWFJFHSA-N -1 1 432.498 2.103 50 0 IEAAMM Cc1cc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)n(-c2nc3c(c(=O)[n-]2)CCC3)n1 ZINC000009822616 569569557 /nfs/dbraw/zinc/56/95/57/569569557.db2.gz TUVYOICDKRSTND-HNNXBMFYSA-N -1 1 432.484 2.053 50 0 IEAAMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCN(C(C)=O)CC3)c2)cc1 ZINC000012557133 521133555 /nfs/dbraw/zinc/13/35/55/521133555.db2.gz DMXOKLZQFPDZLG-UHFFFAOYSA-N -1 1 431.514 2.190 50 0 IEAAMM COc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])c(OC)c1OC ZINC000069526125 523745714 /nfs/dbraw/zinc/74/57/14/523745714.db2.gz NJTJBUAATVVVJA-UHFFFAOYSA-N -1 1 436.486 2.455 50 0 IEAAMM COCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2C)cc1 ZINC000021712803 523912173 /nfs/dbraw/zinc/91/21/73/523912173.db2.gz YTQPDHTYRVMSOO-IBGZPJMESA-N -1 1 445.541 2.163 50 0 IEAAMM COCCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2C)cc1 ZINC000021712806 523919091 /nfs/dbraw/zinc/91/90/91/523919091.db2.gz YTQPDHTYRVMSOO-LJQANCHMSA-N -1 1 445.541 2.163 50 0 IEAAMM CS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCC3)c2)cc1 ZINC000012557073 525259934 /nfs/dbraw/zinc/25/99/34/525259934.db2.gz DVYZAMVBTPVNCP-UHFFFAOYSA-N -1 1 428.919 2.390 50 0 IEAAMM COc1cccc(CNC(=O)Cc2cc(=O)[n-]c(SCC(=O)NC3CCCC3)n2)c1 ZINC000022629608 525976691 /nfs/dbraw/zinc/97/66/91/525976691.db2.gz YEGXBECACPLRTL-UHFFFAOYSA-N -1 1 430.530 2.201 50 0 IEAAMM CN1CCN(c2ccccc2[N-]S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 ZINC000009406942 536424628 /nfs/dbraw/zinc/42/46/28/536424628.db2.gz UUAPGFNAQZMBJY-UHFFFAOYSA-N -1 1 436.921 2.224 50 0 IEAAMM CCS(=O)(=O)[N-]c1cc2c(cc1OC)n(S(=O)(=O)CC)c(C)c2C(=O)OC(C)C ZINC000006142920 556077528 /nfs/dbraw/zinc/07/75/28/556077528.db2.gz RSXUBRPILVRMTI-UHFFFAOYSA-N -1 1 446.547 2.483 50 0 IEAAMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)CCCn2c(C)csc2=O)c1 ZINC000014239532 556400539 /nfs/dbraw/zinc/40/05/39/556400539.db2.gz JXQZIGSXHMECQL-UHFFFAOYSA-N -1 1 427.548 2.373 50 0 IEAAMM CC[N-]S(=O)(=O)c1sc2c(c1C(=O)OC)CCN(C(=O)C1(c3ccccc3)CC1)C2 ZINC000014964550 556465005 /nfs/dbraw/zinc/46/50/05/556465005.db2.gz JRMVKACAWJUROP-UHFFFAOYSA-N -1 1 448.566 2.449 50 0 IEAAMM Cc1nc(Nc2nc(-c3cnc(N4CCOCC4)nc3C)cc(=O)[n-]2)nc2ccccc12 ZINC000036245292 556595019 /nfs/dbraw/zinc/59/50/19/556595019.db2.gz RXNZHBXTZBEHDC-UHFFFAOYSA-N -1 1 430.472 2.367 50 0 IEAAMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)n1 ZINC000016695737 556628938 /nfs/dbraw/zinc/62/89/38/556628938.db2.gz SFFAWEQMURFLFN-UHFFFAOYSA-N -1 1 436.559 2.238 50 0 IEAAMM CCc1nnc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)c3cccnc3)cc2)s1 ZINC000253432257 556697528 /nfs/dbraw/zinc/69/75/28/556697528.db2.gz XLYKVQKBHAHCEY-UHFFFAOYSA-N -1 1 425.517 2.097 50 0 IEAAMM COc1cccc(NC(=O)C[C@@H](CN2CCN(Cc3c(C)noc3C)CC2)C(=O)[O-])c1 ZINC000061721795 556730008 /nfs/dbraw/zinc/73/00/08/556730008.db2.gz NXJIZWJZHNUPSD-KRWDZBQOSA-N -1 1 430.505 2.147 50 0 IEAAMM O=C(c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c1)N1CCC[C@H](O)C1 ZINC000058341020 556781521 /nfs/dbraw/zinc/78/15/21/556781521.db2.gz TULGBMAVNBHINP-KRWDZBQOSA-N -1 1 432.498 2.246 50 0 IEAAMM CCOC(=O)N1CCN(C(=O)Cc2cc(=O)[n-]c(SCc3ccccc3F)n2)CC1 ZINC000023138389 557021734 /nfs/dbraw/zinc/02/17/34/557021734.db2.gz ZXCUCGBUKGYZSH-UHFFFAOYSA-N -1 1 434.493 2.457 50 0 IEAAMM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)N(Cc2noc(C)n2)C(=O)CO3)c1 ZINC000046145534 557044001 /nfs/dbraw/zinc/04/40/01/557044001.db2.gz QLVUVAJSTOWQOI-UHFFFAOYSA-N -1 1 442.453 2.307 50 0 IEAAMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)N1CCC[C@@H](N2CCNC2=O)C1 ZINC000048324492 557065299 /nfs/dbraw/zinc/06/52/99/557065299.db2.gz RUCVKMUSEJAOAM-GOSISDBHSA-N -1 1 446.504 2.256 50 0 IEAAMM COc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])cc2c1OCCO2 ZINC000017360557 557069691 /nfs/dbraw/zinc/06/96/91/557069691.db2.gz XSQXIBGHIPREJH-UHFFFAOYSA-N -1 1 434.470 2.209 50 0 IEAAMM COc1ccc(OCc2noc(C[N-]S(=O)(=O)c3ccc(NC(C)=O)cc3)n2)cc1 ZINC000049027623 557088391 /nfs/dbraw/zinc/08/83/91/557088391.db2.gz YQOMXDKHWFHKIU-UHFFFAOYSA-N -1 1 432.458 2.094 50 0 IEAAMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CCN(C(=O)N2CCCC2)CC1 ZINC000025056861 557192409 /nfs/dbraw/zinc/19/24/09/557192409.db2.gz KCYHAHUBXJTBQP-UHFFFAOYSA-N -1 1 442.541 2.461 50 0 IEAAMM O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc2ccccc2c1[O-] ZINC000018151643 557243851 /nfs/dbraw/zinc/24/38/51/557243851.db2.gz XKENIPDJQVBJDK-UHFFFAOYSA-N -1 1 426.494 2.496 50 0 IEAAMM O=C([O-])CC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]21 ZINC000101275319 557266444 /nfs/dbraw/zinc/26/64/44/557266444.db2.gz LGEIMNNDBQRHJD-PBWVOLNLSA-N -1 1 439.855 2.130 50 0 IEAAMM CC(=O)N1N=C(c2c(=O)[nH]c(=O)n(-c3ccc(Cl)cc3)c2[O-])C[C@@H]1c1cccc(O)c1 ZINC000101455689 557285987 /nfs/dbraw/zinc/28/59/87/557285987.db2.gz CSELYWUWVIRPBO-QGZVFWFLSA-N -1 1 440.843 2.288 50 0 IEAAMM CCC(=O)N1N=C(c2c(=O)[nH]c(=S)n(C)c2[O-])C[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000101495076 557289065 /nfs/dbraw/zinc/28/90/65/557289065.db2.gz OOJMQISROHXJEP-LBPRGKRZSA-N -1 1 448.501 2.262 50 0 IEAAMM COc1ccc([C@@H]2CC(c3c(=O)[nH]c(=O)n(-c4cc(C)cc(C)c4)c3[O-])=NN2)cc1OC ZINC000101762959 557297569 /nfs/dbraw/zinc/29/75/69/557297569.db2.gz WEMVKJANYNGJJK-INIZCTEOSA-N -1 1 436.468 2.304 50 0 IEAAMM O=c1[nH]c(=O)n(-c2cccc(Cl)c2)c([O-])c1C1=NN[C@H](c2ccc3c(c2)OCO3)C1 ZINC000101763167 557297874 /nfs/dbraw/zinc/29/78/74/557297874.db2.gz IRXZVOBOLDONLD-ZDUSSCGKSA-N -1 1 426.816 2.052 50 0 IEAAMM CCc1cc2c(COC(=O)CCN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc(=O)oc2cc1[O-] ZINC000102129636 557313091 /nfs/dbraw/zinc/31/30/91/557313091.db2.gz JUWIPFNZXFYUIN-HZPDHXFCSA-N -1 1 425.437 2.446 50 0 IEAAMM COc1ccc(CCN2C(=O)[N-]C(=O)[C@]3(Cc4cc(C)ccc4N(C)C3)C2=O)cc1OC ZINC000003874118 568754806 /nfs/dbraw/zinc/75/48/06/568754806.db2.gz MABODVGUOXUNNB-XMMPIXPASA-N -1 1 437.496 2.312 50 0 biogenic IEAAMM CCc1nc(CN2C(=O)COc3ccc(S(=O)(=O)[N-]c4cccc(OC)c4)cc32)no1 ZINC000064450632 568928605 /nfs/dbraw/zinc/92/86/05/568928605.db2.gz RSSXUVBYVZVDBN-UHFFFAOYSA-N -1 1 444.469 2.367 50 0 IEAAMM COC(=O)CNC(=O)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1 ZINC000064611647 568941515 /nfs/dbraw/zinc/94/15/15/568941515.db2.gz QERWSBKCQFDRGO-CQSZACIVSA-N -1 1 426.498 2.157 50 0 IEAAMM COC(=O)Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3cccc(Br)c3)ccc21 ZINC000064818792 568965466 /nfs/dbraw/zinc/96/54/66/568965466.db2.gz OECWVBABGQFUEY-UHFFFAOYSA-N -1 1 441.259 2.331 50 0 IEAAMM O=S(=O)([N-]Cc1ccnc(N2CCOCC2)c1)c1cc(Br)cnc1Cl ZINC000036397333 569099994 /nfs/dbraw/zinc/09/99/94/569099994.db2.gz APNPGIWYIVPSBT-UHFFFAOYSA-N -1 1 447.742 2.208 50 0 IEAAMM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])[C@H]1C[C@H]1c1ccc(F)cc1F ZINC000170626511 569148612 /nfs/dbraw/zinc/14/86/12/569148612.db2.gz GKKZVEVLAVCZOZ-HOTGVXAUSA-N -1 1 438.452 2.434 50 0 IEAAMM COc1cc(NC(=O)CCc2c(C)nn(-c3nc(C)cc(=O)[n-]3)c2C)cc(OC)c1OC ZINC000016849632 569164566 /nfs/dbraw/zinc/16/45/66/569164566.db2.gz XVEIFVVMKVFSNE-UHFFFAOYSA-N -1 1 441.488 2.478 50 0 IEAAMM Cn1c2ccc(S(=O)(=O)[N-]c3ccc(Oc4cccnc4)cc3)cc2c(=O)n(C)c1=O ZINC000252484388 569186479 /nfs/dbraw/zinc/18/64/79/569186479.db2.gz FVCUXTDDCORWTJ-UHFFFAOYSA-N -1 1 438.465 2.225 50 0 IEAAMM COc1cc([N-]S(C)(=O)=O)c(-c2nc3cc(OC)c(OC)cc3c(=O)o2)cc1OC ZINC000096564344 569401321 /nfs/dbraw/zinc/40/13/21/569401321.db2.gz MDYAJEJIMWGBOR-UHFFFAOYSA-N -1 1 436.442 2.261 50 0 IEAAMM O=C(Cc1sc(N2CCCC2)nc1[O-])Nc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000057681513 569440899 /nfs/dbraw/zinc/44/08/99/569440899.db2.gz VJKIAVIEOOGBJX-ZDUSSCGKSA-N -1 1 428.436 2.401 50 0 IEAAMM COC(=O)Cc1cc(=O)[n-]c(SCC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)n1 ZINC000008705965 569470449 /nfs/dbraw/zinc/47/04/49/569470449.db2.gz IWWYAEFBRMOPJW-NSHDSACASA-N -1 1 432.527 2.407 50 0 IEAAMM O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000040040055 569483424 /nfs/dbraw/zinc/48/34/24/569483424.db2.gz NYRWQAFVMHCNBG-RUZDIDTESA-N -1 1 447.491 2.207 50 0 IEAAMM Cc1cc(CN2CCN(C(=O)c3ccc(S(=O)(=O)[N-]c4ccncc4)cc3)CC2)on1 ZINC000040108647 569488584 /nfs/dbraw/zinc/48/85/84/569488584.db2.gz QNGVJJHOIPZYAN-UHFFFAOYSA-N -1 1 441.513 2.137 50 0 IEAAMM CCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)C(=O)NCCc2c[nH]c3ccccc23)n1 ZINC000009037825 569497395 /nfs/dbraw/zinc/49/73/95/569497395.db2.gz XFLIBAJQOIDDCU-UHFFFAOYSA-N -1 1 433.472 2.017 50 0 IEAAMM Cc1cc(NC(=O)C(=O)N[C@@H]2C[C@H](C)CC(C)(C)C2)n(-c2nc3c(c(=O)[n-]2)CCC3)n1 ZINC000009039829 569497438 /nfs/dbraw/zinc/49/74/38/569497438.db2.gz AIGHUDDSVIQSSC-GXTWGEPZSA-N -1 1 426.521 2.022 50 0 IEAAMM COC(=O)Cc1cc(=O)[n-]c(SCC(=O)Nc2cc(-c3ccc(Cl)cc3)nn2C)n1 ZINC000009049388 569498566 /nfs/dbraw/zinc/49/85/66/569498566.db2.gz IWVUPLHMQIRSIX-UHFFFAOYSA-N -1 1 447.904 2.270 50 0 IEAAMM CC(C)(C)c1ccc(C(=O)[N-]C(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1 ZINC000009284890 569519103 /nfs/dbraw/zinc/51/91/03/569519103.db2.gz RXAGHDDLWMEYBT-MRXNPFEDSA-N -1 1 426.469 2.425 50 0 IEAAMM Nc1nc(SCC(=O)N2CCc3ccccc32)[n-]c(=O)c1NC(=O)c1ccccc1F ZINC000009518083 569543911 /nfs/dbraw/zinc/54/39/11/569543911.db2.gz JARQMBJTAHXTDG-UHFFFAOYSA-N -1 1 439.472 2.425 50 0 IEAAMM Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1S(=O)(=O)N1CCOCC1 ZINC000009540458 569545758 /nfs/dbraw/zinc/54/57/58/569545758.db2.gz JMQYEMKCPSEJTO-UHFFFAOYSA-N -1 1 430.935 2.470 50 0 IEAAMM O=C(c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1)N1CCN(Cc2cccnc2)CC1 ZINC000078336356 569586649 /nfs/dbraw/zinc/58/66/49/569586649.db2.gz OIIBIVDOANFVDB-UHFFFAOYSA-N -1 1 437.525 2.235 50 0 IEAAMM O=C1[N-]C(=S)SC1=CNCCCCCCCCNC=C1SC(=S)NC1=O ZINC000039929740 569588098 /nfs/dbraw/zinc/58/80/98/569588098.db2.gz INVFAJQOUUBKOL-HWAYABPNSA-N -1 1 430.646 2.485 50 0 IEAAMM CCc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CCC(=O)[O-])N[C@]32C(=O)Nc3ccccc32)cc1 ZINC000012874252 523964416 /nfs/dbraw/zinc/96/44/16/523964416.db2.gz MYWHZLRPGLPFRP-GHCZAOPSSA-N -1 1 433.464 2.039 50 0 biogenic IEAAMM COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(Cl)c([O-])c(OC)c3)CC2)cc1 ZINC000012750208 525035897 /nfs/dbraw/zinc/03/58/97/525035897.db2.gz MUVZELJQODDWAG-UHFFFAOYSA-N -1 1 440.905 2.210 50 0 IEAAMM COc1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)N3CCCC3)c2)cc1OC ZINC000012520924 525087808 /nfs/dbraw/zinc/08/78/08/525087808.db2.gz CNLFPDPUJXHFDC-UHFFFAOYSA-N -1 1 426.516 2.289 50 0 IEAAMM O=C(c1cc(Br)ccc1[O-])N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000012791536 526599698 /nfs/dbraw/zinc/59/96/98/526599698.db2.gz KUOWUCJVTPSIPR-UHFFFAOYSA-N -1 1 443.294 2.441 50 0 IEAAMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)Nc1ccc(OCC(F)(F)F)cc1 ZINC000011984299 526970183 /nfs/dbraw/zinc/97/01/83/526970183.db2.gz DXYANNMTEKPEHD-UHFFFAOYSA-N -1 1 440.422 2.427 50 0 IEAAMM Cn1c2ccc(S(=O)(=O)[N-]c3ccc(Cc4ccccn4)cc3)cc2n(C)c(=O)c1=O ZINC000012428040 527104660 /nfs/dbraw/zinc/10/46/60/527104660.db2.gz QRHWIIWCLDRECE-UHFFFAOYSA-N -1 1 436.493 2.024 50 0 IEAAMM CCN(CC)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000000670741 555530718 /nfs/dbraw/zinc/53/07/18/555530718.db2.gz KUWAQRITFOVSJQ-UHFFFAOYSA-N -1 1 425.532 2.476 50 0 IEAAMM NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 ZINC000002134703 555746933 /nfs/dbraw/zinc/74/69/33/555746933.db2.gz MBZCBKBPPISJLQ-UHFFFAOYSA-N -1 1 431.495 2.387 50 0 IEAAMM CC(=O)Nc1cc(C)nn1-c1ccc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000032833609 556417546 /nfs/dbraw/zinc/41/75/46/556417546.db2.gz MCRLYWFJMGYGCR-UHFFFAOYSA-N -1 1 448.526 2.343 50 0 IEAAMM COC[C@H](C)NC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc21 ZINC000012987960 556427823 /nfs/dbraw/zinc/42/78/23/556427823.db2.gz ZBINNOZNMDNNCT-LBPRGKRZSA-N -1 1 433.461 2.233 50 0 IEAAMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2N2CCC(C(N)=O)CC2)ccc1C ZINC000072289728 556484592 /nfs/dbraw/zinc/48/45/92/556484592.db2.gz ZEUSMINGRAXAIH-UHFFFAOYSA-N -1 1 430.530 2.456 50 0 IEAAMM Cc1cccn2c(=O)c3c(nc12)N1CCc2ccccc2[C@H]1[C@]1(C3)C(=O)[N-]C(=S)NC1=O ZINC000017014488 556653044 /nfs/dbraw/zinc/65/30/44/556653044.db2.gz QOSLEMFLADWGKV-INIZCTEOSA-N -1 1 445.504 2.020 50 0 IEAAMM Cc1cccn2c(=O)c3c(nc12)N1CCc2ccccc2[C@H]1[C@@]1(C3)C(=O)[N-]C(=S)NC1=O ZINC000017014488 556653045 /nfs/dbraw/zinc/65/30/45/556653045.db2.gz QOSLEMFLADWGKV-INIZCTEOSA-N -1 1 445.504 2.020 50 0 IEAAMM Nc1cc(=O)[n-]c(SCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000018222614 556687696 /nfs/dbraw/zinc/68/76/96/556687696.db2.gz BJAZILBDNLSRSK-UHFFFAOYSA-N -1 1 435.553 2.378 50 0 IEAAMM COC(=O)CNC(=O)C1CCN(c2nc(=O)c3scc(-c4ccccc4F)c3[n-]2)CC1 ZINC000049421088 557107478 /nfs/dbraw/zinc/10/74/78/557107478.db2.gz NJTHVFMXATVXSE-UHFFFAOYSA-N -1 1 444.488 2.296 50 0 IEAAMM CN1N=C(C(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2[O-])CCC1=O ZINC000024754187 557162970 /nfs/dbraw/zinc/16/29/70/557162970.db2.gz VAVUCCDVXMTRRE-UHFFFAOYSA-N -1 1 436.877 2.393 50 0 IEAAMM CCN(CC)S(=O)(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000011615787 557211888 /nfs/dbraw/zinc/21/18/88/557211888.db2.gz ITFMRKATSRWQQC-UHFFFAOYSA-N -1 1 442.515 2.225 50 0 IEAAMM COc1ccccc1-n1c(=O)[nH]c(=O)c(C2=NN(C(C)=O)[C@@H](c3sccc3C)C2)c1[O-] ZINC000101455606 557285968 /nfs/dbraw/zinc/28/59/68/557285968.db2.gz MHJXHPKHIPJQRM-OAHLLOKOSA-N -1 1 440.481 2.308 50 0 IEAAMM CCC(=O)N1N=C(c2c(=O)[nH]c(=S)n(C)c2[O-])C[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000101495079 557289045 /nfs/dbraw/zinc/28/90/45/557289045.db2.gz OOJMQISROHXJEP-GFCCVEGCSA-N -1 1 448.501 2.262 50 0 IEAAMM COc1ccc([C@@H]2CC(c3c(=O)[nH]c(=O)n(-c4ccc(Cl)cc4)c3[O-])=NN2)c(OC)c1 ZINC000101762664 557297439 /nfs/dbraw/zinc/29/74/39/557297439.db2.gz GQXACZJAGKLKGM-HNNXBMFYSA-N -1 1 442.859 2.341 50 0 IEAAMM CCN(c1ccccc1)S(=O)(=O)c1ccc2[n-]cc(C(=O)N3CCOCC3)c(=O)c2c1 ZINC000004004103 562940728 /nfs/dbraw/zinc/94/07/28/562940728.db2.gz FDOYZIRBMRGKPC-UHFFFAOYSA-N -1 1 441.509 2.216 50 0 IEAAMM COCCCNC(=O)c1c[n-]c2ccc(S(=O)(=O)N(C)c3ccccc3C)cc2c1=O ZINC000006181284 562946418 /nfs/dbraw/zinc/94/64/18/562946418.db2.gz KKQWNYRQDWVUCF-UHFFFAOYSA-N -1 1 443.525 2.428 50 0 IEAAMM COCCNC(=O)c1c[n-]c2ccc(S(=O)(=O)N(C)c3ccc(C)c(C)c3)cc2c1=O ZINC000006181263 562946441 /nfs/dbraw/zinc/94/64/41/562946441.db2.gz VWFVOTGWGHPOSO-UHFFFAOYSA-N -1 1 443.525 2.346 50 0 IEAAMM CCN(CC)S(=O)(=O)c1ccc(OC)c(NS(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000009662392 562974824 /nfs/dbraw/zinc/97/48/24/562974824.db2.gz TXCOMAHSEIWNSR-UHFFFAOYSA-N -1 1 442.515 2.225 50 0 IEAAMM COc1ccc(NC(=O)c2ccc(NC(=O)CSc3nc(N)cc(=O)[n-]3)cc2)cc1 ZINC000009716107 562976003 /nfs/dbraw/zinc/97/60/03/562976003.db2.gz XAGQMZYYRSHQAL-UHFFFAOYSA-N -1 1 425.470 2.344 50 0 IEAAMM NC(=O)COc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccccc4)[n-]c(=O)c32)cc1 ZINC000086056881 568642193 /nfs/dbraw/zinc/64/21/93/568642193.db2.gz AVLWFMBQHRDGLU-MRXNPFEDSA-N -1 1 436.493 2.400 50 0 IEAAMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H]3CCN(C(C)=O)C3)c2)cc1 ZINC000084809373 568801656 /nfs/dbraw/zinc/80/16/56/568801656.db2.gz LPQMVZGNFIZRGL-GOSISDBHSA-N -1 1 431.514 2.237 50 0 IEAAMM COC(=O)CNC(=O)[C@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1 ZINC000064611649 568941609 /nfs/dbraw/zinc/94/16/09/568941609.db2.gz QERWSBKCQFDRGO-AWEZNQCLSA-N -1 1 426.498 2.157 50 0 IEAAMM COc1ccc2c(c1)c([C@@H](C(=O)[O-])[NH+]1CCN(C(=O)OC(C)(C)C)CC1)cn2CC(=O)[O-] ZINC000036356858 569084435 /nfs/dbraw/zinc/08/44/35/569084435.db2.gz DNUDWYFJFZDQSU-IBGZPJMESA-N -1 1 447.488 2.413 50 0 IEAAMM COc1cccc([N-]S(=O)(=O)c2cc3c(cc2C)N(Cc2noc(C)n2)C(=O)CO3)c1 ZINC000065022561 569088876 /nfs/dbraw/zinc/08/88/76/569088876.db2.gz PHWYVUDPDDZOLX-UHFFFAOYSA-N -1 1 444.469 2.421 50 0 IEAAMM Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3CCSC[C@H]3c3nn[n-]n3)c12 ZINC000170600602 569142909 /nfs/dbraw/zinc/14/29/09/569142909.db2.gz OVMMSFSXLTUWFN-ZDUSSCGKSA-N -1 1 426.531 2.449 50 0 IEAAMM COc1cc2c(cc1OC)[C@H](c1c(=O)[nH]c(=O)n(-c3cccc(Cl)c3)c1[O-])NCC2 ZINC000002137379 569185212 /nfs/dbraw/zinc/18/52/12/569185212.db2.gz HVNWKOJCMPRHMS-GOSISDBHSA-N -1 1 429.860 2.137 50 0 biogenic IEAAMM COc1ccc(Cc2[n-][nH]c(=O)c2[C@@H](CC(N)=O)c2cc3c(c(OC)c2)OCO3)cc1 ZINC000253401470 569289006 /nfs/dbraw/zinc/28/90/06/569289006.db2.gz FQNPFBQEODWSCJ-HNNXBMFYSA-N -1 1 425.441 2.047 50 0 IEAAMM O=C([O-])[C@@H]1[NH2+][C@H](c2cc(Br)ccc2[O-])[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 ZINC000002461896 569316289 /nfs/dbraw/zinc/31/62/89/569316289.db2.gz SRLOIPDJEPYJRI-ZJIFWQFVSA-N -1 1 449.232 2.197 50 0 IEAAMM CCc1cc2c(nc(C)n([N-]C(=O)c3c(I)cnn3C)c2=O)s1 ZINC000002778261 569421131 /nfs/dbraw/zinc/42/11/31/569421131.db2.gz KLJSIHONAQNNEQ-UHFFFAOYSA-N -1 1 443.270 2.051 50 0 IEAAMM O=S(=O)([N-]c1ccc(Cl)cc1)c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 ZINC000031772949 569457283 /nfs/dbraw/zinc/45/72/83/569457283.db2.gz YVQNGIAIQUSKDD-INIZCTEOSA-N -1 1 449.959 2.102 50 0 IEAAMM COC(=O)Cc1cc(=O)[n-]c(SCC(=O)Nc2ccc(Br)cc2F)n1 ZINC000009113980 569502566 /nfs/dbraw/zinc/50/25/66/569502566.db2.gz KVFPJMKVYITJAZ-UHFFFAOYSA-N -1 1 430.255 2.118 50 0 IEAAMM CC(C)(C)c1ccc(C(=O)[N-]C(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1 ZINC000009284892 569519125 /nfs/dbraw/zinc/51/91/25/569519125.db2.gz RXAGHDDLWMEYBT-INIZCTEOSA-N -1 1 426.469 2.425 50 0 IEAAMM CCN(CC)S(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)c1 ZINC000009491651 569540369 /nfs/dbraw/zinc/54/03/69/569540369.db2.gz RQQLDIZFKUFDGZ-UHFFFAOYSA-N -1 1 425.532 2.476 50 0 IEAAMM CS(=O)(=O)c1ccc(-c2cccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)c2)nn1 ZINC000009572658 569547775 /nfs/dbraw/zinc/54/77/75/569547775.db2.gz ZZIYPLDRIGUUSC-UHFFFAOYSA-N -1 1 447.494 2.119 50 0 IEAAMM CS(=O)(=O)c1ccc(-c2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)nn1 ZINC000009650549 569556547 /nfs/dbraw/zinc/55/65/47/569556547.db2.gz FOYOIIPMEJUHEW-UHFFFAOYSA-N -1 1 447.494 2.119 50 0 IEAAMM CCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)n1 ZINC000009660359 569556771 /nfs/dbraw/zinc/55/67/71/569556771.db2.gz CLHXFWSIOJDEHQ-MRXNPFEDSA-N -1 1 434.500 2.435 50 0 IEAAMM CSc1nc(COC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc(=O)[n-]1 ZINC000009742794 569565447 /nfs/dbraw/zinc/56/54/47/569565447.db2.gz WZMRKJZUXPXZOA-MRXNPFEDSA-N -1 1 439.559 2.237 50 0 IEAAMM COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c1OC ZINC000012526042 521934125 /nfs/dbraw/zinc/93/41/25/521934125.db2.gz UIXRHHMHZQEMEY-ZPMKCOPCSA-N -1 1 448.453 2.322 50 0 IEAAMM CCc1ccc(S(=O)(=O)[N-]c2cc3c(cc2N2CCCC2)n(C)c(=O)c(=O)n3C)cc1 ZINC000020991649 524017150 /nfs/dbraw/zinc/01/71/50/524017150.db2.gz IWTSNLUVYFSDLE-UHFFFAOYSA-N -1 1 442.541 2.201 50 0 IEAAMM COc1ccc(Cn2c(=O)[nH]c([O-])c([C@@H]3NCCc4c5cc(OC)ccc5[nH]c43)c2=O)cc1 ZINC000020610611 524256244 /nfs/dbraw/zinc/25/62/44/524256244.db2.gz NBORDIWHEORJMZ-NRFANRHFSA-N -1 1 448.479 2.024 50 0 biogenic IEAAMM COc1ccc(Cn2c([O-])c([C@@H]3NCCc4c5cc(OC)ccc5[nH]c43)c(=O)[nH]c2=O)cc1 ZINC000020610611 524256247 /nfs/dbraw/zinc/25/62/47/524256247.db2.gz NBORDIWHEORJMZ-NRFANRHFSA-N -1 1 448.479 2.024 50 0 biogenic IEAAMM COc1ccc(OC)c(CCNC(=O)CCC2=Nc3cc(C)ccc3S(=O)(=O)[N-]2)c1 ZINC000021880530 524817922 /nfs/dbraw/zinc/81/79/22/524817922.db2.gz PZPOTCJQEIJDQX-UHFFFAOYSA-N -1 1 431.514 2.473 50 0 IEAAMM O=C(NCCCNC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccccc1Br ZINC000022470814 527675944 /nfs/dbraw/zinc/67/59/44/527675944.db2.gz YYNYZYIXMVIMSN-UHFFFAOYSA-N -1 1 429.274 2.236 50 0 IEAAMM CCn1c(C)nc2cc([N-]S(=O)(=O)c3ccccc3)cc(C(=O)NCC(=O)OC)c21 ZINC000011785308 556353210 /nfs/dbraw/zinc/35/32/10/556353210.db2.gz SSDVESFUUUCWHF-UHFFFAOYSA-N -1 1 430.486 2.068 50 0 IEAAMM COc1cc2c(cc1OC)[C@H](c1c(=O)[nH]c(=O)n(-c3ccc(Cl)cc3)c1[O-])NCC2 ZINC000016996417 556652436 /nfs/dbraw/zinc/65/24/36/556652436.db2.gz BKXXKCNWHLPJKW-GOSISDBHSA-N -1 1 429.860 2.137 50 0 biogenic IEAAMM Cn1c2ccc(S(=O)(=O)[N-]c3ccc4nc(N5CCOCC5)sc4c3)cc2oc1=O ZINC000023015679 557057785 /nfs/dbraw/zinc/05/77/85/557057785.db2.gz JHUSIEPWGPTEIN-UHFFFAOYSA-N -1 1 446.510 2.379 50 0 IEAAMM COc1ccccc1-n1c(=O)[nH]c(=O)c(C2=NN(C(C)=O)[C@@H](c3ccc(C)s3)C2)c1[O-] ZINC000101456042 557286667 /nfs/dbraw/zinc/28/66/67/557286667.db2.gz YJNWETSJINYOJS-OAHLLOKOSA-N -1 1 440.481 2.308 50 0 IEAAMM CCC(=O)N1N=C(c2c([O-])[nH]c(=O)n(Cc3ccccc3)c2=O)C[C@@H]1c1ccc(O)cc1 ZINC000101765239 557295278 /nfs/dbraw/zinc/29/52/78/557295278.db2.gz AJUGCWOUZWNGBW-GOSISDBHSA-N -1 1 434.452 2.084 50 0 IEAAMM CCC(=O)N1N=C(c2c([O-])[nH]c(=O)n(Cc3ccccc3)c2=O)C[C@H]1c1ccc(O)cc1 ZINC000101765235 557295497 /nfs/dbraw/zinc/29/54/97/557295497.db2.gz AJUGCWOUZWNGBW-SFHVURJKSA-N -1 1 434.452 2.084 50 0 IEAAMM CCC(=O)N1N=C(c2c([O-])[nH]c(=O)n(Cc3ccccc3)c2=O)C[C@@H]1c1ccccc1OC ZINC000101765205 557295566 /nfs/dbraw/zinc/29/55/66/557295566.db2.gz ZDTPENAEYSNSSM-GOSISDBHSA-N -1 1 448.479 2.387 50 0 IEAAMM COc1ccc([C@@H]2CC(c3c(=O)[nH]c(=O)n(-c4cccc(Cl)c4)c3[O-])=NN2)cc1OC ZINC000101763084 557297427 /nfs/dbraw/zinc/29/74/27/557297427.db2.gz XLZHASVXSZMJOE-AWEZNQCLSA-N -1 1 442.859 2.341 50 0 IEAAMM COc1ccc(OC)c([C@H]2CC(c3c(=O)[nH]c(=O)n(-c4ccc(Cl)cc4)c3[O-])=NN2)c1 ZINC000101762637 557297608 /nfs/dbraw/zinc/29/76/08/557297608.db2.gz ILHFWWGOYQSNRT-OAHLLOKOSA-N -1 1 442.859 2.341 50 0 IEAAMM COc1ccc(OC)c([C@@H]2CC(c3c(=O)[nH]c(=O)n(-c4cc(C)cc(C)c4)c3[O-])=NN2)c1 ZINC000101762968 557297613 /nfs/dbraw/zinc/29/76/13/557297613.db2.gz QJOZXQQSFHKWEO-KRWDZBQOSA-N -1 1 436.468 2.304 50 0 IEAAMM O=C([O-])CCn1cc([C@H](C(=O)[O-])[N@H+]2CCCN(c3ncccn3)CC2)c2ccc(F)cc21 ZINC000105696211 557509742 /nfs/dbraw/zinc/50/97/42/557509742.db2.gz BRSMVDUDBLLSLU-HXUWFJFHSA-N -1 1 441.463 2.383 50 0 IEAAMM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)OC[C@@H](C(=O)N2CCCC2)O3)cc(OC)c1 ZINC000008604925 562956481 /nfs/dbraw/zinc/95/64/81/562956481.db2.gz WCFMUBLKGRGRDP-FQEVSTJZSA-N -1 1 448.497 2.267 50 0 IEAAMM C[C@H]1CN(C(=O)COC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C[C@H](C)O1 ZINC000010072633 562978372 /nfs/dbraw/zinc/97/83/72/562978372.db2.gz ZMAXRYXOOIAMLZ-HOTGVXAUSA-N -1 1 432.498 2.280 50 0 IEAAMM C[C@@H]1CN(C(=O)COC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C[C@@H](C)O1 ZINC000010072634 562978418 /nfs/dbraw/zinc/97/84/18/562978418.db2.gz ZMAXRYXOOIAMLZ-HZPDHXFCSA-N -1 1 432.498 2.280 50 0 IEAAMM O=C([O-])c1c(F)cc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1F ZINC000072301106 568619079 /nfs/dbraw/zinc/61/90/79/568619079.db2.gz TTYJZUGYYRRSJL-UHFFFAOYSA-N -1 1 446.453 2.248 50 0 IEAAMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N(Cc1ccccc1)C[C@H]1CCCO1 ZINC000084005032 568789681 /nfs/dbraw/zinc/78/96/81/568789681.db2.gz NSUDIIWFRQHYBF-HXUWFJFHSA-N -1 1 440.544 2.055 50 0 IEAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCN4C(=O)OC[C@H]4C3)cc2)cc1C ZINC000084180900 568795864 /nfs/dbraw/zinc/79/58/64/568795864.db2.gz IAXHOSOGJPDVJV-GOSISDBHSA-N -1 1 429.498 2.381 50 0 IEAAMM COc1ccc(S(=O)(=O)c2cnc(SCC(=O)NCc3ccccc3)[n-]c2=O)cc1 ZINC000064591995 568935363 /nfs/dbraw/zinc/93/53/63/568935363.db2.gz OLALJYSZUQFLSE-UHFFFAOYSA-N -1 1 445.522 2.432 50 0 IEAAMM Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3CCSC[C@@H]3c3nn[n-]n3)c12 ZINC000170600601 569142736 /nfs/dbraw/zinc/14/27/36/569142736.db2.gz OVMMSFSXLTUWFN-CYBMUJFWSA-N -1 1 426.531 2.449 50 0 IEAAMM Cc1ccnc(NS(=O)(=O)c2ccc(N3C(=O)c4ccc(C(=O)[O-])cc4C3=O)cc2)n1 ZINC000002266890 569216320 /nfs/dbraw/zinc/21/63/20/569216320.db2.gz BNGINYHKZRZOGX-UHFFFAOYSA-N -1 1 438.421 2.085 50 0 IEAAMM Cc1sc2nc(C)n([N-]C(=O)c3c(I)cnn3C)c(=O)c2c1C ZINC000002775041 569420936 /nfs/dbraw/zinc/42/09/36/569420936.db2.gz QANBBBNVABUBAO-UHFFFAOYSA-N -1 1 443.270 2.105 50 0 IEAAMM CSc1nnnn1-c1cccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)c1 ZINC000031668737 569456994 /nfs/dbraw/zinc/45/69/94/569456994.db2.gz XEEIMHXZQWMGLF-LBPRGKRZSA-N -1 1 444.542 2.483 50 0 IEAAMM CCn1cnnc1-c1cccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)c1 ZINC000032096011 569459873 /nfs/dbraw/zinc/45/98/73/569459873.db2.gz GZCNCXMIPSSLBM-UHFFFAOYSA-N -1 1 447.542 2.207 50 0 IEAAMM CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000008870674 569480621 /nfs/dbraw/zinc/48/06/21/569480621.db2.gz CDJMFPAPGHGQCX-UHFFFAOYSA-N -1 1 442.515 2.225 50 0 IEAAMM CC[C@]1(C)NC(=O)N(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)C1=O ZINC000009467490 569538471 /nfs/dbraw/zinc/53/84/71/569538471.db2.gz OUGYKMZMBWWKPD-FQEVSTJZSA-N -1 1 430.486 2.161 50 0 IEAAMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc4nc(N5CCOCC5)sc4c3)cc2[nH]1 ZINC000009477430 569539220 /nfs/dbraw/zinc/53/92/20/569539220.db2.gz LLXOPPJJYFJKIG-UHFFFAOYSA-N -1 1 431.499 2.103 50 0 IEAAMM COc1ccc(NC(=O)CSc2nc(N)c(NC(=O)c3ccc(F)cc3)c(=O)[n-]2)cc1 ZINC000009518057 569543848 /nfs/dbraw/zinc/54/38/48/569543848.db2.gz TZSBWTHOYAJGNK-UHFFFAOYSA-N -1 1 443.460 2.483 50 0 IEAAMM Nc1nc(SCC(=O)NCc2ccc(F)cc2)[n-]c(=O)c1NC(=O)c1ccc(F)cc1 ZINC000009518062 569543867 /nfs/dbraw/zinc/54/38/67/569543867.db2.gz IUOHBOYDFXFGFI-UHFFFAOYSA-N -1 1 445.451 2.291 50 0 IEAAMM CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cc1 ZINC000009590923 569550041 /nfs/dbraw/zinc/55/00/41/569550041.db2.gz GWEHQJMTCITRDF-UHFFFAOYSA-N -1 1 426.516 2.289 50 0 IEAAMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OC[C@H](C(=O)N2CCCC2)O3)cc1 ZINC000009683444 569560329 /nfs/dbraw/zinc/56/03/29/569560329.db2.gz VCUKEAAGLJKBDZ-HXUWFJFHSA-N -1 1 430.482 2.452 50 0 IEAAMM O=C(CN1C(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc21)NC1CCCC1 ZINC000009153210 132307006 /nfs/dbraw/zinc/30/70/06/132307006.db2.gz LDOOWBGBPSAWCB-UHFFFAOYSA-N -1 1 429.498 2.272 50 0 IEAAMM CC(C)C(=O)Nc1ccc(C(=O)NCC[N-]S(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000021682574 519518054 /nfs/dbraw/zinc/51/80/54/519518054.db2.gz CESTZCCXPRKBNA-UHFFFAOYSA-N -1 1 425.457 2.268 50 0 IEAAMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)CSc2nnc3ccccn32)c1 ZINC000012497989 520805459 /nfs/dbraw/zinc/80/54/59/520805459.db2.gz KLOVDIUBVKRUJS-UHFFFAOYSA-N -1 1 435.531 2.196 50 0 IEAAMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCN(C(C)=O)CC3)c2)cc1 ZINC000012520919 521209900 /nfs/dbraw/zinc/20/99/00/521209900.db2.gz DMIVZVMWWRKCAY-UHFFFAOYSA-N -1 1 431.514 2.190 50 0 IEAAMM CCN1C(=O)COc2ccc(-c3noc(C[N-]S(=O)(=O)c4ccc(F)cc4)n3)cc21 ZINC000035527610 521521071 /nfs/dbraw/zinc/52/10/71/521521071.db2.gz JAJFNDOULCLJSH-UHFFFAOYSA-N -1 1 432.433 2.100 50 0 IEAAMM COC(=O)c1cc(CNC(=O)C(C)C)cc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000012246653 521846621 /nfs/dbraw/zinc/84/66/21/521846621.db2.gz YKEJZHGDAIXRNK-UHFFFAOYSA-N -1 1 448.497 2.317 50 0 IEAAMM Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2N2CCCC2)n(C)c(=O)c(=O)n3C)c(C)c1 ZINC000020991634 525594580 /nfs/dbraw/zinc/59/45/80/525594580.db2.gz XGPNYLQVVOLZGK-UHFFFAOYSA-N -1 1 442.541 2.255 50 0 IEAAMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)CCN2C(=O)COc3ccccc32)c1 ZINC000014248249 556407675 /nfs/dbraw/zinc/40/76/75/556407675.db2.gz ZQJVXUPWKLZLEV-UHFFFAOYSA-N -1 1 447.513 2.177 50 0 IEAAMM Cc1csc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)n1 ZINC000032863458 556448479 /nfs/dbraw/zinc/44/84/79/556448479.db2.gz NLSHLFNKXLQLRH-UHFFFAOYSA-N -1 1 443.510 2.352 50 0 IEAAMM C[C@@H]1CN(C(=O)COC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C[C@H](C)O1 ZINC000015151652 556506927 /nfs/dbraw/zinc/50/69/27/556506927.db2.gz ZMAXRYXOOIAMLZ-IYBDPMFKSA-N -1 1 432.498 2.280 50 0 IEAAMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCOCC3)c2)c1C ZINC000013568860 556521242 /nfs/dbraw/zinc/52/12/42/556521242.db2.gz HKXZWWKHFUKSDW-UHFFFAOYSA-N -1 1 448.497 2.063 50 0 IEAAMM O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1 ZINC000011906363 556671642 /nfs/dbraw/zinc/67/16/42/556671642.db2.gz ZEKIUZOAQKLVSC-UHFFFAOYSA-N -1 1 445.316 2.316 50 0 IEAAMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000058227572 556773999 /nfs/dbraw/zinc/77/39/99/556773999.db2.gz AKNYRNAQCPDBRL-UHFFFAOYSA-N -1 1 441.532 2.446 50 0 IEAAMM Cc1ccc([O-])c(S(=O)(=O)N2CCN(C(=O)COc3ccc4c(c3)CCC4)CC2)c1 ZINC000058406723 556786089 /nfs/dbraw/zinc/78/60/89/556786089.db2.gz QIGJJIJTOFCTGP-UHFFFAOYSA-N -1 1 430.526 2.101 50 0 IEAAMM CNC(=O)Cc1csc(NC(=O)Cc2c(C)nc(SCc3ccccc3)[n-]c2=O)n1 ZINC000023138465 557021758 /nfs/dbraw/zinc/02/17/58/557021758.db2.gz OVKDBBVUILBKQB-UHFFFAOYSA-N -1 1 443.554 2.297 50 0 IEAAMM CCCc1cc(=O)[n-]c(S[C@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)n1 ZINC000011443730 557229120 /nfs/dbraw/zinc/22/91/20/557229120.db2.gz RUXIABCULGWSJC-SECBINFHSA-N -1 1 428.436 2.375 50 0 IEAAMM COc1ccc([C@H]2CC(c3c([O-])n(-c4ccc(Cl)cc4)c(=O)[nH]c3=O)=NN2)cc1O ZINC000101465543 557285180 /nfs/dbraw/zinc/28/51/80/557285180.db2.gz NIQRVOMRICNZMP-CYBMUJFWSA-N -1 1 428.832 2.038 50 0 IEAAMM CC(=O)N1N=C(c2c(=O)[nH]c(=O)n(-c3ccc(Cl)cc3)c2[O-])C[C@H]1c1cccc(O)c1 ZINC000101455686 557286008 /nfs/dbraw/zinc/28/60/08/557286008.db2.gz CSELYWUWVIRPBO-KRWDZBQOSA-N -1 1 440.843 2.288 50 0 IEAAMM CCC(=O)N1N=C(c2c([O-])[nH]c(=O)n(Cc3ccccc3)c2=O)C[C@H]1c1ccccc1OC ZINC000101765201 557295317 /nfs/dbraw/zinc/29/53/17/557295317.db2.gz ZDTPENAEYSNSSM-SFHVURJKSA-N -1 1 448.479 2.387 50 0 IEAAMM CCC(=O)N1N=C(c2c([O-])[nH]c(=O)n(Cc3ccccc3)c2=O)C[C@@H]1c1ccc(OC)cc1 ZINC000101765093 557295363 /nfs/dbraw/zinc/29/53/63/557295363.db2.gz MZQCRFZGYIBNJD-LJQANCHMSA-N -1 1 448.479 2.387 50 0 IEAAMM CCCCn1c(=O)[nH]c([O-])c(C2=NN(C(=O)CC)[C@@H](c3cc(OC)ccc3OC)C2)c1=O ZINC000101764857 557298368 /nfs/dbraw/zinc/29/83/68/557298368.db2.gz VVTIWNHHDTYUBR-MRXNPFEDSA-N -1 1 444.488 2.147 50 0 IEAAMM COC(=O)C[C@@H](c1cc2cccc3c2n(c1=O)CCC3)c1c([O-])nc2ccccn2c1=O ZINC000205950916 557389663 /nfs/dbraw/zinc/38/96/63/557389663.db2.gz MACCSCLLUOOBCK-INIZCTEOSA-N -1 1 431.448 2.356 50 0 IEAAMM COC(=O)C[C@@H](c1ccc(OCCn2cccn2)cc1)c1c([O-])nc2ccccn2c1=O ZINC000205972421 557401556 /nfs/dbraw/zinc/40/15/56/557401556.db2.gz BGOOEMWPHDEDOQ-SFHVURJKSA-N -1 1 434.452 2.371 50 0 IEAAMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])c1ccc(N2CCOCC2)cc1 ZINC000328590530 557805629 /nfs/dbraw/zinc/80/56/29/557805629.db2.gz LZAICAMLRBEHAZ-UHFFFAOYSA-N -1 1 431.514 2.266 50 0 IEAAMM NS(=O)(=O)c1ccc(Nc2nc([O-])c(CC(=O)Nc3ccc(Cl)cc3)s2)cc1 ZINC000001797020 568740263 /nfs/dbraw/zinc/74/02/63/568740263.db2.gz VNDMFXSXFPVNGL-AWEZNQCLSA-N -1 1 438.918 2.426 50 0 IEAAMM COc1ccc(Cc2[n-][nH]c(=O)c2[C@H](CC(N)=O)c2cc(OC)c3c(c2)OCCO3)cc1 ZINC000263588524 568760943 /nfs/dbraw/zinc/76/09/43/568760943.db2.gz VGRFFGDKCJOFRS-MRXNPFEDSA-N -1 1 439.468 2.090 50 0 IEAAMM CN1c2cc(F)c([N-]S(=O)(=O)Cc3noc4ccccc43)cc2N(C)S1(=O)=O ZINC000575612532 568879389 /nfs/dbraw/zinc/87/93/89/568879389.db2.gz MXLNCFNRJBVDHK-UHFFFAOYSA-N -1 1 426.451 2.040 50 0 IEAAMM O=C([O-])CC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000245246426 568913212 /nfs/dbraw/zinc/91/32/12/568913212.db2.gz LGEIMNNDBQRHJD-FCQWJQKHSA-N -1 1 439.855 2.130 50 0 IEAAMM Cc1nn(-c2nc(C)c(C)c(=O)[n-]2)c(C)c1CCC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000016980721 569169297 /nfs/dbraw/zinc/16/92/97/569169297.db2.gz ASUPPUPVPSUFBX-UHFFFAOYSA-N -1 1 448.571 2.466 50 0 IEAAMM COC(=O)c1ccc(O)cc1NS(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1 ZINC000253425045 569267106 /nfs/dbraw/zinc/26/71/06/569267106.db2.gz OCYDILJHTIXIPC-UHFFFAOYSA-N -1 1 430.232 2.440 50 0 IEAAMM CN(C)Cc1nc(C(C)(C)[N-]S(=O)(=O)c2cc(F)c(Br)cc2F)no1 ZINC000253430453 569267618 /nfs/dbraw/zinc/26/76/18/569267618.db2.gz ZORYKRBDPIHGSP-UHFFFAOYSA-N -1 1 439.282 2.386 50 0 IEAAMM CN1CCc2ccc(S(=O)(=O)[N-]c3cccc(Cn4nc5ccccn5c4=O)c3)cc21 ZINC000079056007 569323616 /nfs/dbraw/zinc/32/36/16/569323616.db2.gz VVUUMCBEOBOVGY-UHFFFAOYSA-N -1 1 435.509 2.337 50 0 IEAAMM CNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccncc3)cc2)cc1 ZINC000095389593 569363371 /nfs/dbraw/zinc/36/33/71/569363371.db2.gz RXXPGDJGOOPQMT-UHFFFAOYSA-N -1 1 446.510 2.043 50 0 IEAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N[C@@H]3CN4CCC3CC4)cc2)cc1C ZINC000095466328 569370897 /nfs/dbraw/zinc/37/08/97/569370897.db2.gz PHVFIMLCLWCTFZ-OAQYLSRUSA-N -1 1 449.598 2.477 50 0 IEAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N[C@H]3CN4CCC3CC4)cc2)cc1C ZINC000095466329 569370921 /nfs/dbraw/zinc/37/09/21/569370921.db2.gz PHVFIMLCLWCTFZ-NRFANRHFSA-N -1 1 449.598 2.477 50 0 IEAAMM O=S(=O)([N-]c1cccc(Cl)c1)c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000031772944 569457288 /nfs/dbraw/zinc/45/72/88/569457288.db2.gz NFYPHLRMJNOHJH-MRXNPFEDSA-N -1 1 449.959 2.102 50 0 IEAAMM Cc1cc(NC(=O)C(=O)N[C@@H]2C[C@@H](C)CC(C)(C)C2)n(-c2nc3c(c(=O)[n-]2)CCC3)n1 ZINC000009039835 569497443 /nfs/dbraw/zinc/49/74/43/569497443.db2.gz AIGHUDDSVIQSSC-TZMCWYRMSA-N -1 1 426.521 2.022 50 0 IEAAMM COc1cc2c(cc1OC)[C@@H](c1c(=O)[nH]c(=O)n(-c3cccc(Cl)c3)c1[O-])NCC2 ZINC000009172633 569509564 /nfs/dbraw/zinc/50/95/64/569509564.db2.gz HVNWKOJCMPRHMS-SFHVURJKSA-N -1 1 429.860 2.137 50 0 biogenic IEAAMM C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000009425355 569533223 /nfs/dbraw/zinc/53/32/23/569533223.db2.gz PHZWFULIILAWPF-CYBMUJFWSA-N -1 1 440.905 2.473 50 0 IEAAMM CN(C(=O)COc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000009435363 569534821 /nfs/dbraw/zinc/53/48/21/569534821.db2.gz FNXYYDFORQUDEQ-OAHLLOKOSA-N -1 1 443.477 2.190 50 0 biogenic IEAAMM CN(C(=O)COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000009435363 569534822 /nfs/dbraw/zinc/53/48/22/569534822.db2.gz FNXYYDFORQUDEQ-OAHLLOKOSA-N -1 1 443.477 2.190 50 0 biogenic IEAAMM CC(=O)Nc1nc(SCC(=O)N2CCCCC2)[n-]c(=O)c1NC(=O)c1ccc(F)cc1 ZINC000009518259 569544024 /nfs/dbraw/zinc/54/40/24/569544024.db2.gz JKKGZKSGDLCLPD-UHFFFAOYSA-N -1 1 447.492 2.224 50 0 IEAAMM Cc1ccc(NC(=O)COC(=O)C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1C ZINC000009633828 569554315 /nfs/dbraw/zinc/55/43/15/569554315.db2.gz BGDCBDLJDQUOAU-UHFFFAOYSA-N -1 1 430.404 2.181 50 0 IEAAMM Cc1cc(C)cc(NC(=O)COC(=O)C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC000009633830 569554322 /nfs/dbraw/zinc/55/43/22/569554322.db2.gz AVVGZJGOXPGUFU-UHFFFAOYSA-N -1 1 430.404 2.181 50 0 IEAAMM CCCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)c2cc(OC)c(OC)c(OC)c2)n1 ZINC000009660362 569556786 /nfs/dbraw/zinc/55/67/86/569556786.db2.gz DJYVRPQBWMCDAP-UHFFFAOYSA-N -1 1 427.461 2.495 50 0 IEAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000009714874 569562983 /nfs/dbraw/zinc/56/29/83/569562983.db2.gz FMYHCWJMLGQOGB-UHFFFAOYSA-N -1 1 430.935 2.470 50 0 IEAAMM COc1cccc(S(=O)(=O)[N-]c2ccc(-n3nnc(C(=O)NC4CCCC4)n3)cc2)c1 ZINC000071003533 569566593 /nfs/dbraw/zinc/56/65/93/569566593.db2.gz KTKCFRUWZUZLOZ-UHFFFAOYSA-N -1 1 442.501 2.144 50 0 IEAAMM O=C1CCCN1c1ccc([N-]S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000009794349 569568388 /nfs/dbraw/zinc/56/83/88/569568388.db2.gz FPWUYABPJQTDGM-UHFFFAOYSA-N -1 1 449.554 2.399 50 0 IEAAMM O=C(CN1C(=O)NC2(CCCC2)C1=O)OCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000009958076 569574854 /nfs/dbraw/zinc/57/48/54/569574854.db2.gz AEQKXUWMPXHWNK-UHFFFAOYSA-N -1 1 442.453 2.152 50 0 IEAAMM CC(C)(CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N1CCOCC1 ZINC000015934954 519262782 /nfs/dbraw/zinc/26/27/82/519262782.db2.gz YAWUAXLBZMCERA-UHFFFAOYSA-N -1 1 435.521 2.467 50 0 IEAAMM CCN(CC)S(=O)(=O)c1ccc(-n2cc(C(=O)c3cc(OC)ccc3[O-])cn2)nc1 ZINC000015232294 520788029 /nfs/dbraw/zinc/78/80/29/520788029.db2.gz MYUHEDVZVSMZQZ-UHFFFAOYSA-N -1 1 430.486 2.243 50 0 IEAAMM CCOC(=O)N1CCN(C(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CC1 ZINC000022406907 520946353 /nfs/dbraw/zinc/94/63/53/520946353.db2.gz FYTOPYAUCBSWJL-UHFFFAOYSA-N -1 1 449.504 2.470 50 0 IEAAMM CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CSc2nccc(=O)[n-]2)c1 ZINC000012311775 523652058 /nfs/dbraw/zinc/65/20/58/523652058.db2.gz UBEMUCCKNWMYMC-UHFFFAOYSA-N -1 1 430.511 2.326 50 0 IEAAMM CN1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)CC1 ZINC000012508082 523883441 /nfs/dbraw/zinc/88/34/41/523883441.db2.gz XHTAEEBMOCQFMS-UHFFFAOYSA-N -1 1 431.514 2.036 50 0 IEAAMM COc1ccc(NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)cc1[N-]S(C)(=O)=O ZINC000012553335 524643004 /nfs/dbraw/zinc/64/30/04/524643004.db2.gz UBNDQCLSOCRJHI-SFHVURJKSA-N -1 1 433.486 2.437 50 0 IEAAMM Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2N2CCCCC2)n(C)c(=O)c(=O)n3C)cc1 ZINC000020852946 525594416 /nfs/dbraw/zinc/59/44/16/525594416.db2.gz ISLFOAKVHNDDEC-UHFFFAOYSA-N -1 1 442.541 2.337 50 0 IEAAMM C[C@H](OC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1)C(=O)NC1CC1 ZINC000012557004 525890575 /nfs/dbraw/zinc/89/05/75/525890575.db2.gz DDOCFKOZAGRODW-ZDUSSCGKSA-N -1 1 446.481 2.083 50 0 IEAAMM Cc1nn2c(nc(CSc3nc(-c4ccccc4F)nc4cc(=O)[n-]n43)cc2=O)s1 ZINC000021537226 526312695 /nfs/dbraw/zinc/31/26/95/526312695.db2.gz LBIWMGLAYCFXPM-UHFFFAOYSA-N -1 1 441.473 2.289 50 0 IEAAMM O=C(c1ccc(S(=O)(=O)[N-]C2CC2)o1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000040088777 526711005 /nfs/dbraw/zinc/71/10/05/526711005.db2.gz DFAQDSJPPZRMMR-UHFFFAOYSA-N -1 1 444.435 2.097 50 0 IEAAMM O=C(c1ccc(S(=O)(=O)[N-]Cc2cccnc2)o1)N1CCN(c2ccccc2F)CC1 ZINC000035597420 526711838 /nfs/dbraw/zinc/71/18/38/526711838.db2.gz JQXLTMARCDHEJY-UHFFFAOYSA-N -1 1 444.488 2.255 50 0 IEAAMM O=S(=O)([N-]c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(F)c(Cl)c1 ZINC000012532527 527253894 /nfs/dbraw/zinc/25/38/94/527253894.db2.gz ZHWODNQABOLIMF-UHFFFAOYSA-N -1 1 434.898 2.301 50 0 IEAAMM COc1ccc2c(c1OC)C(=O)O[C@H]2c1c(=O)[nH]c(=O)n(-c2ccc(Cl)cc2)c1[O-] ZINC000002269674 555764113 /nfs/dbraw/zinc/76/41/13/555764113.db2.gz QDWRUVDTRCBFHT-OAHLLOKOSA-N -1 1 430.800 2.162 50 0 IEAAMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000002871700 555850023 /nfs/dbraw/zinc/85/00/23/555850023.db2.gz ZHTPXPAKFOYLQE-UHFFFAOYSA-N -1 1 428.557 2.230 50 0 IEAAMM Cn1c(CCNC(=O)[C@H]2CCCO2)nc2cc([N-]S(=O)(=O)c3ccccc3)ccc21 ZINC000013690886 556280443 /nfs/dbraw/zinc/28/04/43/556280443.db2.gz ZCLGBHMYDCENQL-LJQANCHMSA-N -1 1 428.514 2.212 50 0 IEAAMM CC[N-]S(=O)(=O)c1sc2c(c1C(=O)OC)CCN(C(=O)Cc1cccc(C)c1)C2 ZINC000011840458 556364797 /nfs/dbraw/zinc/36/47/97/556364797.db2.gz ODHJVNGOFAQPSK-UHFFFAOYSA-N -1 1 436.555 2.269 50 0 IEAAMM C[N-]S(=O)(=O)c1sc2c(c1C(=O)OC)CCN(C(=O)CCc1ccc(C)cc1)C2 ZINC000015071373 556496397 /nfs/dbraw/zinc/49/63/97/556496397.db2.gz TWVJEEXYMOTSJJ-UHFFFAOYSA-N -1 1 436.555 2.269 50 0 IEAAMM NC(=O)CCNc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000072301109 556524051 /nfs/dbraw/zinc/52/40/51/556524051.db2.gz LBPBSVOEOJXADC-UHFFFAOYSA-N -1 1 444.435 2.067 50 0 IEAAMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)n1 ZINC000015879401 556560559 /nfs/dbraw/zinc/56/05/59/556560559.db2.gz INKQCUNMKHJZHF-UHFFFAOYSA-N -1 1 436.559 2.238 50 0 IEAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1Cl ZINC000016425140 556606289 /nfs/dbraw/zinc/60/62/89/556606289.db2.gz CPENAKQDABVEJB-UHFFFAOYSA-N -1 1 446.934 2.170 50 0 IEAAMM COC(=O)[C@H](C)[C@@H](NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)c1ccccc1 ZINC000072313094 556688356 /nfs/dbraw/zinc/68/83/56/556688356.db2.gz BTAKYGWFVMDNLA-SJKOYZFVSA-N -1 1 444.506 2.026 50 0 IEAAMM COc1ccccc1-n1c(=O)[nH]c(=O)c(C2=NN(C(C)=O)[C@H](c3sccc3C)C2)c1[O-] ZINC000101455604 557286002 /nfs/dbraw/zinc/28/60/02/557286002.db2.gz MHJXHPKHIPJQRM-HNNXBMFYSA-N -1 1 440.481 2.308 50 0 IEAAMM COc1ccc([C@H]2CC(c3c(=O)[nH]c(=O)n(-c4ccccc4C)c3[O-])=NN2C(C)=O)cc1 ZINC000101456261 557286710 /nfs/dbraw/zinc/28/67/10/557286710.db2.gz FSCSFOJQCNXKRQ-LJQANCHMSA-N -1 1 434.452 2.246 50 0 IEAAMM CC(=O)N1N=C(c2c(=O)[nH]c(=O)n(-c3cccc(Cl)c3)c2[O-])C[C@@H]1c1ccc(O)cc1 ZINC000101456127 557286847 /nfs/dbraw/zinc/28/68/47/557286847.db2.gz VIMKQPFYWGCRBV-QGZVFWFLSA-N -1 1 440.843 2.288 50 0 IEAAMM CCC(=O)N1N=C(c2c([O-])[nH]c(=O)n(Cc3ccccc3)c2=O)C[C@H]1c1ccc(OC)cc1 ZINC000101765090 557295238 /nfs/dbraw/zinc/29/52/38/557295238.db2.gz MZQCRFZGYIBNJD-IBGZPJMESA-N -1 1 448.479 2.387 50 0 IEAAMM COc1ccc([C@H]2CC(c3c(=O)[nH]c(=O)n(-c4ccc(Cl)cc4)c3[O-])=NN2)c(OC)c1 ZINC000101762669 557297539 /nfs/dbraw/zinc/29/75/39/557297539.db2.gz GQXACZJAGKLKGM-OAHLLOKOSA-N -1 1 442.859 2.341 50 0 IEAAMM COc1ccc([C@H]2CC(c3c(=O)[nH]c(=O)n(-c4ccc(Cl)cc4)c3[O-])=NN2)cc1OC ZINC000101762627 557297546 /nfs/dbraw/zinc/29/75/46/557297546.db2.gz ZKFXZFPGJITGBE-CQSZACIVSA-N -1 1 442.859 2.341 50 0 IEAAMM COc1ccc([C@H]2CC(c3c([O-])n(-c4cccc(Cl)c4)c(=O)[nH]c3=O)=NN2)cc1O ZINC000101763181 557297982 /nfs/dbraw/zinc/29/79/82/557297982.db2.gz QUPQDKINULSPFE-CYBMUJFWSA-N -1 1 428.832 2.038 50 0 IEAAMM CCCCn1c(=O)[nH]c([O-])c(C2=NN(C(=O)CC)[C@H](c3cc(OC)ccc3OC)C2)c1=O ZINC000101764852 557298218 /nfs/dbraw/zinc/29/82/18/557298218.db2.gz VVTIWNHHDTYUBR-INIZCTEOSA-N -1 1 444.488 2.147 50 0 IEAAMM COc1ccccc1NC(=O)c1ccc(NC(=O)CSc2nc(N)cc(=O)[n-]2)cc1 ZINC000009465526 562971584 /nfs/dbraw/zinc/97/15/84/562971584.db2.gz IDJIVXDKNUSZBB-UHFFFAOYSA-N -1 1 425.470 2.344 50 0 IEAAMM COc1ccc(Cc2[n-][nH]c(=O)c2[C@@H](CC(N)=O)c2cc(OC)c(OC)cc2OC)cc1 ZINC000263588893 568761243 /nfs/dbraw/zinc/76/12/43/568761243.db2.gz ZOKVOABTENDPMN-INIZCTEOSA-N -1 1 441.484 2.336 50 0 IEAAMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCN(C(=O)C(C)C)C3)c2)cc1 ZINC000084370505 568797513 /nfs/dbraw/zinc/79/75/13/568797513.db2.gz GWMLXHIDAKTKDP-GOSISDBHSA-N -1 1 445.541 2.483 50 0 IEAAMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H]3CCN(C(=O)C(C)C)C3)c2)cc1 ZINC000084370503 568797556 /nfs/dbraw/zinc/79/75/56/568797556.db2.gz GWMLXHIDAKTKDP-SFHVURJKSA-N -1 1 445.541 2.483 50 0 IEAAMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)n1 ZINC000015587231 568799029 /nfs/dbraw/zinc/79/90/29/568799029.db2.gz UYKOGQROAFEDQX-UHFFFAOYSA-N -1 1 444.966 2.357 50 0 IEAAMM O=C([N-]CCCN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)C(F)(F)F ZINC000084606024 568799250 /nfs/dbraw/zinc/79/92/50/568799250.db2.gz XIFNUKUICWJIBN-UHFFFAOYSA-N -1 1 429.464 2.215 50 0 IEAAMM COc1nc(C[N-]S(=O)(=O)c2ccc(Br)s2)nc(N2CCCCC2)n1 ZINC000575608434 568878410 /nfs/dbraw/zinc/87/84/10/568878410.db2.gz UNQGSUHNPWKQHE-UHFFFAOYSA-N -1 1 448.368 2.173 50 0 IEAAMM Cc1ccc(-c2noc(C(=O)N3CCOCC3)n2)cc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000065319009 569134706 /nfs/dbraw/zinc/13/47/06/569134706.db2.gz XHNYOICGXDOTRJ-UHFFFAOYSA-N -1 1 446.460 2.457 50 0 IEAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(S(=O)(=O)N3CCC(CO)CC3)c2)c1 ZINC000170610505 569144985 /nfs/dbraw/zinc/14/49/85/569144985.db2.gz RUYPJOGLVSVIES-UHFFFAOYSA-N -1 1 438.571 2.497 50 0 IEAAMM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000170626512 569148659 /nfs/dbraw/zinc/14/86/59/569148659.db2.gz GKKZVEVLAVCZOZ-CVEARBPZSA-N -1 1 438.452 2.434 50 0 IEAAMM O=C(COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)NC[C@H]1CCCO1 ZINC000009883977 569150202 /nfs/dbraw/zinc/15/02/02/569150202.db2.gz AGGZPFIWHVLANE-QGZVFWFLSA-N -1 1 436.461 2.079 50 0 IEAAMM COCCNC(=O)C1CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)CC1 ZINC000013357092 569313656 /nfs/dbraw/zinc/31/36/56/569313656.db2.gz YRCULLDUNRBOIW-UHFFFAOYSA-N -1 1 445.541 2.102 50 0 IEAAMM CCOC(=O)c1cc(Br)cc(F)c1[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000078805956 569319085 /nfs/dbraw/zinc/31/90/85/569319085.db2.gz NSUOXGLXWWMGFH-UHFFFAOYSA-N -1 1 448.270 2.003 50 0 IEAAMM COc1cc2nc(=S)n3c([O-])c(CCC(=O)NCc4ccccc4)[nH]c3c2cc1OC ZINC000020234065 569357277 /nfs/dbraw/zinc/35/72/77/569357277.db2.gz MZRRRXOCZAXLAY-OAHLLOKOSA-N -1 1 438.509 2.468 50 0 IEAAMM CCc1c(C)nc(-n2nc(C)cc2NC(=O)CCS(=O)(=O)c2ccccc2)[n-]c1=O ZINC000038740704 569468603 /nfs/dbraw/zinc/46/86/03/569468603.db2.gz FQKBWNRANIJKSB-UHFFFAOYSA-N -1 1 429.502 2.350 50 0 IEAAMM CCS(=O)(=O)N1CCc2ccc([N-]S(=O)(=O)c3ccc(OC)c(OC)c3)cc2C1 ZINC000008840340 569478352 /nfs/dbraw/zinc/47/83/52/569478352.db2.gz MDKKDSVZSVLPLI-UHFFFAOYSA-N -1 1 440.543 2.212 50 0 IEAAMM O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000040040054 569483368 /nfs/dbraw/zinc/48/33/68/569483368.db2.gz NYRWQAFVMHCNBG-VWLOTQADSA-N -1 1 447.491 2.207 50 0 IEAAMM COc1ccc([N-]S(=O)(=O)c2ccc(Br)c(C)c2)cc1S(N)(=O)=O ZINC000009490921 569540263 /nfs/dbraw/zinc/54/02/63/569540263.db2.gz ZWLMSRLUAMSTKX-UHFFFAOYSA-N -1 1 435.321 2.214 50 0 IEAAMM COc1ccc(CCNC(=O)C(=O)Nc2cc(C)nn2-c2nc(C(C)C)cc(=O)[n-]2)cc1 ZINC000009038534 569497354 /nfs/dbraw/zinc/49/73/54/569497354.db2.gz SGADJTSUEPXWGJ-UHFFFAOYSA-N -1 1 438.488 2.106 50 0 IEAAMM COc1ccccc1CCNC(=O)C(=O)Nc1cc(C)nn1-c1nc(C(C)C)cc(=O)[n-]1 ZINC000009038524 569497397 /nfs/dbraw/zinc/49/73/97/569497397.db2.gz JEISNUWKVKBYKA-UHFFFAOYSA-N -1 1 438.488 2.106 50 0 IEAAMM CCOC(=O)C1CCN(C(=O)c2cc([N-]S(=O)(=O)c3ccc(F)cc3)ccn2)CC1 ZINC000009152245 569507740 /nfs/dbraw/zinc/50/77/40/569507740.db2.gz HVMPHTCGTYAHIY-UHFFFAOYSA-N -1 1 435.477 2.437 50 0 IEAAMM C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000009425354 569533179 /nfs/dbraw/zinc/53/31/79/569533179.db2.gz PHZWFULIILAWPF-ZDUSSCGKSA-N -1 1 440.905 2.473 50 0 IEAAMM CCCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)n1 ZINC000009660378 569556743 /nfs/dbraw/zinc/55/67/43/569556743.db2.gz SLNRPWGDGAHJBT-CQSZACIVSA-N -1 1 438.463 2.347 50 0 IEAAMM CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)n1 ZINC000009748268 569565896 /nfs/dbraw/zinc/56/58/96/569565896.db2.gz HRHXJZFHJAZBEY-ZDUSSCGKSA-N -1 1 438.575 2.400 50 0 IEAAMM CCCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(OCC(N)=O)c(OCC)c1)CC(=O)N2 ZINC000021784619 520568270 /nfs/dbraw/zinc/56/82/70/520568270.db2.gz CCEHGUQPQZIMBH-LBPRGKRZSA-N -1 1 432.502 2.009 50 0 IEAAMM COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCc5ccccc5C4)[n-]c(=O)c32)cc1 ZINC000012389007 524590388 /nfs/dbraw/zinc/59/03/88/524590388.db2.gz QAABLNFGVUYOKW-GOSISDBHSA-N -1 1 445.479 2.406 50 0 IEAAMM Cc1ccc(N2C[C@@H](C(=O)Nc3cc(C4CC4)nn3-c3nc(C)cc(=O)[n-]3)CC2=O)cc1 ZINC000012123690 524979677 /nfs/dbraw/zinc/97/96/77/524979677.db2.gz UMZMKKJUGQEYAT-INIZCTEOSA-N -1 1 432.484 2.441 50 0 IEAAMM Cc1cc(S(=O)(=O)[N-]c2cc3c(cc2N2CCCC2)n(C)c(=O)c(=O)n3C)ccc1F ZINC000020991631 525421888 /nfs/dbraw/zinc/42/18/88/525421888.db2.gz GMLCMQWEVKWZJN-UHFFFAOYSA-N -1 1 446.504 2.086 50 0 IEAAMM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1)n(C)c(=O)c(=O)n2C ZINC000020557960 525616456 /nfs/dbraw/zinc/61/64/56/525616456.db2.gz IJCBYLIDROJHEB-UHFFFAOYSA-N -1 1 443.403 2.245 50 0 IEAAMM C[C@@H](OC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1)C(=O)NC1CC1 ZINC000012557003 525893900 /nfs/dbraw/zinc/89/39/00/525893900.db2.gz DDOCFKOZAGRODW-CYBMUJFWSA-N -1 1 446.481 2.083 50 0 IEAAMM O=C(NCCc1ccccc1)[C@@H]1CC(=O)Nc2nc(N3CCc4ccccc4C3)[n-]c(=O)c21 ZINC000012407687 526423811 /nfs/dbraw/zinc/42/38/11/526423811.db2.gz MJFHAOOYPKKDER-LJQANCHMSA-N -1 1 443.507 2.117 50 0 IEAAMM O=C(CSc1nc(CC(=O)NCc2ccccc2)cc(=O)[n-]1)Nc1ccccc1F ZINC000023145276 527055519 /nfs/dbraw/zinc/05/55/19/527055519.db2.gz XNJFAHJSSZUJPU-UHFFFAOYSA-N -1 1 426.473 2.499 50 0 IEAAMM COc1ccc2nc(NC(=O)CCc3c(C)nc(N4CCOCC4)[n-]c3=O)sc2c1 ZINC000011807003 537054622 /nfs/dbraw/zinc/05/46/22/537054622.db2.gz RYENIFGCSQNVGS-UHFFFAOYSA-N -1 1 429.502 2.105 50 0 IEAAMM CCOc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000013690675 556280061 /nfs/dbraw/zinc/28/00/61/556280061.db2.gz XPWBECDXQMSTKB-UHFFFAOYSA-N -1 1 428.463 2.092 50 0 IEAAMM NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000014244793 556404403 /nfs/dbraw/zinc/40/44/03/556404403.db2.gz CQQQSCIAFDFYCR-UHFFFAOYSA-N -1 1 443.934 2.024 50 0 IEAAMM COC[C@@H](C)NC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc21 ZINC000012987956 556427850 /nfs/dbraw/zinc/42/78/50/556427850.db2.gz ZBINNOZNMDNNCT-GFCCVEGCSA-N -1 1 433.461 2.233 50 0 IEAAMM O=C(Cc1sc(N2CCCCC2)nc1[O-])Nc1cccc(C(=O)NC2=NCCS2)c1 ZINC000013117628 556470394 /nfs/dbraw/zinc/47/03/94/556470394.db2.gz BUPNDDMZNSEJTC-HNNXBMFYSA-N -1 1 445.570 2.332 50 0 IEAAMM Cc1oc(-c2n[nH]cc2C(=O)N2CCOCC2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000097940916 556810802 /nfs/dbraw/zinc/81/08/02/556810802.db2.gz OVFXXOZXUNONBZ-UHFFFAOYSA-N -1 1 434.449 2.390 50 0 IEAAMM COC(=O)C1CCN(C(=O)Cc2c(C)nc(SCc3ccccc3F)[n-]c2=O)CC1 ZINC000023138592 557021677 /nfs/dbraw/zinc/02/16/77/557021677.db2.gz UPAMYCILFRHJMW-UHFFFAOYSA-N -1 1 433.505 2.464 50 0 IEAAMM O=C(CCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1)Nc1ccccn1 ZINC000048230836 557048727 /nfs/dbraw/zinc/04/87/27/557048727.db2.gz ONHBLIPBJVSJJA-UHFFFAOYSA-N -1 1 425.470 2.036 50 0 IEAAMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CCN(C[C@H]2CCCO2)CC1 ZINC000023819757 557119084 /nfs/dbraw/zinc/11/90/84/557119084.db2.gz JKJUYSIKJGKEGY-HXUWFJFHSA-N -1 1 429.542 2.424 50 0 IEAAMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H](C)n3cncn3)cc2)c1 ZINC000024576623 557151795 /nfs/dbraw/zinc/15/17/95/557151795.db2.gz RSYXELUFTYZJPH-ZDUSSCGKSA-N -1 1 429.458 2.065 50 0 IEAAMM COc1ccc([C@@H]2CC(c3c([O-])n(-c4ccc(Cl)cc4)c(=O)[nH]c3=O)=NN2)cc1O ZINC000101465540 557285109 /nfs/dbraw/zinc/28/51/09/557285109.db2.gz NIQRVOMRICNZMP-ZDUSSCGKSA-N -1 1 428.832 2.038 50 0 IEAAMM COc1ccc([C@@H]2CC(c3c(=O)[nH]c(=O)n(-c4cccc(Cl)c4)c3[O-])=NN2)c(OC)c1 ZINC000101763112 557297499 /nfs/dbraw/zinc/29/74/99/557297499.db2.gz HJGSTTXZBLQOMJ-HNNXBMFYSA-N -1 1 442.859 2.341 50 0 IEAAMM COc1ccc([C@H]2CC(c3c(=O)[nH]c(=O)n(-c4cccc(Cl)c4)c3[O-])=NN2)cc1OC ZINC000101763087 557297559 /nfs/dbraw/zinc/29/75/59/557297559.db2.gz XLZHASVXSZMJOE-CQSZACIVSA-N -1 1 442.859 2.341 50 0 IEAAMM O=c1[nH]c(=O)n(-c2cccc(Cl)c2)c([O-])c1C1=NN[C@@H](c2ccc3c(c2)OCO3)C1 ZINC000101763171 557297829 /nfs/dbraw/zinc/29/78/29/557297829.db2.gz IRXZVOBOLDONLD-CYBMUJFWSA-N -1 1 426.816 2.052 50 0 IEAAMM COc1ccc([C@@H]2CC(c3c([O-])n(-c4cccc(Cl)c4)c(=O)[nH]c3=O)=NN2)cc1O ZINC000101763176 557297934 /nfs/dbraw/zinc/29/79/34/557297934.db2.gz QUPQDKINULSPFE-ZDUSSCGKSA-N -1 1 428.832 2.038 50 0 IEAAMM COC(=O)C[C@H](c1cc2c(c(OC)c1)OCO2)c1c([O-])nc2ccc(Cl)cn2c1=O ZINC000205962926 557396096 /nfs/dbraw/zinc/39/60/96/557396096.db2.gz YEXMSQZUIMHVTC-GFCCVEGCSA-N -1 1 432.816 2.486 50 0 IEAAMM O=C(CSc1nc(-c2cccs2)n[nH]1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000004198417 562942620 /nfs/dbraw/zinc/94/26/20/562942620.db2.gz OILIWRVQMGSNFW-UHFFFAOYSA-N -1 1 449.583 2.158 50 0 IEAAMM COc1ccc(-c2cc(=NC(=O)COc3ccccc3)n([C@@H]3CCS(=O)(=O)C3)[n-]2)cc1 ZINC000334158020 568750838 /nfs/dbraw/zinc/75/08/38/568750838.db2.gz IBEGZJNQDANMAU-QGZVFWFLSA-N -1 1 441.509 2.358 50 0 IEAAMM COC(=O)[C@@]([N-]C(=O)C(F)(F)F)(c1c(C)[nH]n(-c2ccccc2)c1=O)C(F)(F)F ZINC000003624394 568751752 /nfs/dbraw/zinc/75/17/52/568751752.db2.gz UNWIXEPUHYXZDT-AWEZNQCLSA-N -1 1 425.285 2.083 50 0 IEAAMM COc1ccc(Cc2[n-][nH]c(=O)c2[C@H](CC(N)=O)c2ccc(OC)c(OC)c2OC)cc1 ZINC000263588855 568761203 /nfs/dbraw/zinc/76/12/03/568761203.db2.gz ZGDRQAMEHFIGIL-MRXNPFEDSA-N -1 1 441.484 2.336 50 0 IEAAMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@H]3CCN(C(C)=O)C3)c2)cc1 ZINC000084809376 568801786 /nfs/dbraw/zinc/80/17/86/568801786.db2.gz LPQMVZGNFIZRGL-SFHVURJKSA-N -1 1 431.514 2.237 50 0 IEAAMM COc1ccc(S(=O)(=O)[N-]c2cc(N3CCCS3(=O)=O)ccc2C)cc1OC ZINC000015780549 568825386 /nfs/dbraw/zinc/82/53/86/568825386.db2.gz ZMQLXFNTZLDYSZ-UHFFFAOYSA-N -1 1 426.516 2.353 50 0 IEAAMM O=C(c1ccc(F)cc1)N1CCN(c2nc(C[N@H+]3CCc4ccccc4C3)cc(=O)[nH]2)CC1 ZINC000035926462 568931521 /nfs/dbraw/zinc/93/15/21/568931521.db2.gz OIFMXNITCGHVPV-UHFFFAOYSA-N -1 1 447.514 2.430 50 0 IEAAMM COC(=O)CNC(=O)C1CCN(c2nc(=O)c3scc(-c4cccc(C)c4)c3[n-]2)CC1 ZINC000064611805 568941583 /nfs/dbraw/zinc/94/15/83/568941583.db2.gz JRSGOUWZTSTMCI-UHFFFAOYSA-N -1 1 440.525 2.466 50 0 IEAAMM CCN(CC[NH+](C)C)c1ncc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1C(=O)[O-] ZINC000064843341 568971123 /nfs/dbraw/zinc/97/11/23/568971123.db2.gz JQELYAGYBCWCHB-UHFFFAOYSA-N -1 1 428.461 2.247 50 0 IEAAMM CCCN1C(=O)COc2ccc(-c3noc(C[N-]S(=O)(=O)c4ccc(F)cc4)n3)cc21 ZINC000065098374 569104638 /nfs/dbraw/zinc/10/46/38/569104638.db2.gz YUNGHZOLVHBCGE-UHFFFAOYSA-N -1 1 446.460 2.490 50 0 IEAAMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc3onc(C(=O)N4CCOCC4)c3c2)cc1 ZINC000065115382 569106690 /nfs/dbraw/zinc/10/66/90/569106690.db2.gz VCDJUAUALITKBO-UHFFFAOYSA-N -1 1 429.454 2.304 50 0 IEAAMM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2c3ccccc3OC[C@@H]2C)c(OC)c1 ZINC000170591079 569140808 /nfs/dbraw/zinc/14/08/08/569140808.db2.gz NWFPYFVKPCMXJU-ZDUSSCGKSA-N -1 1 426.516 2.433 50 0 IEAAMM COc1ccc(CCNC(=O)CCc2c(C)nn(-c3nc(C)cc(=O)[n-]3)c2C)cc1OC ZINC000016849586 569164575 /nfs/dbraw/zinc/16/45/75/569164575.db2.gz UUEMQOARQQGNDN-UHFFFAOYSA-N -1 1 439.516 2.190 50 0 IEAAMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cncs3)cc2)cc1 ZINC000019999325 569332252 /nfs/dbraw/zinc/33/22/52/569332252.db2.gz ZXMZHEDJEFZVSV-UHFFFAOYSA-N -1 1 439.496 2.443 50 0 IEAAMM COc1cc2nc(=S)n3c([O-])c(CCC(=O)NCc4ccccc4)[nH]c3c2cc1OC ZINC000020234070 569357260 /nfs/dbraw/zinc/35/72/60/569357260.db2.gz MZRRRXOCZAXLAY-HNNXBMFYSA-N -1 1 438.509 2.468 50 0 IEAAMM O=C(C[N-]S(=O)(=O)c1ccc(F)c(F)c1F)OCC(=O)c1c[nH]c2ccccc12 ZINC000003367325 569448225 /nfs/dbraw/zinc/44/82/25/569448225.db2.gz HYIYGNBUHODGQE-UHFFFAOYSA-N -1 1 426.372 2.290 50 0 IEAAMM COC(=O)Cc1cc(=O)[n-]c(SCC(=O)N(C)[C@H](C)c2nc3ccccc3s2)n1 ZINC000008705966 569470422 /nfs/dbraw/zinc/47/04/22/569470422.db2.gz IWWYAEFBRMOPJW-LLVKDONJSA-N -1 1 432.527 2.407 50 0 IEAAMM CC(C)(C)c1ccc(C(=O)[N-]C(=O)COC(=O)c2cccc(NS(C)(=O)=O)c2)cc1 ZINC000009507220 569541947 /nfs/dbraw/zinc/54/19/47/569541947.db2.gz KGMWFQQPNJBOAX-UHFFFAOYSA-N -1 1 432.498 2.469 50 0 IEAAMM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc(S(C)(=O)=O)nn3)c2)cc1F ZINC000009572660 569547829 /nfs/dbraw/zinc/54/78/29/569547829.db2.gz CYQOPEXFWREQHU-UHFFFAOYSA-N -1 1 437.474 2.496 50 0 IEAAMM Cn1c2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)c(N3CCOCC3)cc2n(C)c1=O ZINC000008594380 132284487 /nfs/dbraw/zinc/28/44/87/132284487.db2.gz QISOYAAJXSTUKG-UHFFFAOYSA-N -1 1 436.921 2.168 50 0 IEAAMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)Nc1nc(-c2ccccn2)cs1 ZINC000011811531 132340400 /nfs/dbraw/zinc/34/04/00/132340400.db2.gz AOKZCDZZVFASQA-UHFFFAOYSA-N -1 1 426.502 2.005 50 0 IEAAMM CCCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(OCC(N)=O)c(OCC)c1)CC(=O)N2 ZINC000021784623 520567696 /nfs/dbraw/zinc/56/76/96/520567696.db2.gz CCEHGUQPQZIMBH-GFCCVEGCSA-N -1 1 432.502 2.009 50 0 IEAAMM CCCc1cc(C(=O)OC)c(NC(=O)Cc2sc(N3CCOCC3)nc2[O-])s1 ZINC000012408829 521364670 /nfs/dbraw/zinc/36/46/70/521364670.db2.gz VKKFIOQQOVNUQT-CYBMUJFWSA-N -1 1 425.532 2.146 50 0 IEAAMM CCOC(=O)c1sc(NC(=O)CSc2nc(N)cc(=O)[n-]2)nc1-c1ccccc1 ZINC000018220075 521613058 /nfs/dbraw/zinc/61/30/58/521613058.db2.gz MJOMYHQUNJCGIH-UHFFFAOYSA-N -1 1 431.499 2.383 50 0 IEAAMM COCCNC(=O)[C@@H]1CCCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000021710375 523911962 /nfs/dbraw/zinc/91/19/62/523911962.db2.gz GOFOQPNDNISLBM-GOSISDBHSA-N -1 1 445.541 2.102 50 0 IEAAMM COCCNC(=O)[C@H]1CCCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000021710378 523919269 /nfs/dbraw/zinc/91/92/69/523919269.db2.gz GOFOQPNDNISLBM-SFHVURJKSA-N -1 1 445.541 2.102 50 0 IEAAMM Cc1ccc2c(c1)N=C(CCC(=O)N1CCN(Cc3ccccc3)CC1)[N-]S2(=O)=O ZINC000021880502 526170474 /nfs/dbraw/zinc/17/04/74/526170474.db2.gz BXCBGEBVDZYQMI-UHFFFAOYSA-N -1 1 426.542 2.442 50 0 IEAAMM COc1cccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCc5ccccc5C4)[n-]c(=O)c32)c1 ZINC000012323533 526197046 /nfs/dbraw/zinc/19/70/46/526197046.db2.gz GCSPNDPINPVZMD-GOSISDBHSA-N -1 1 445.479 2.406 50 0 IEAAMM Cc1csc(NC(=O)CSc2nc(CC(=O)NCCc3ccccc3)cc(=O)[n-]2)n1 ZINC000022629739 526385705 /nfs/dbraw/zinc/38/57/05/526385705.db2.gz LZPVIGFVOMDXSF-UHFFFAOYSA-N -1 1 443.554 2.167 50 0 IEAAMM O=C(NCCc1ccccc1)[C@H]1CC(=O)Nc2nc(N3CCc4ccccc4C3)[n-]c(=O)c21 ZINC000012407688 526425274 /nfs/dbraw/zinc/42/52/74/526425274.db2.gz MJFHAOOYPKKDER-IBGZPJMESA-N -1 1 443.507 2.117 50 0 IEAAMM Cc1nn(-c2ccccc2)nc1C(=O)OCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000021462370 527564918 /nfs/dbraw/zinc/56/49/18/527564918.db2.gz IQGCUQBRXCUPBG-UHFFFAOYSA-N -1 1 430.367 2.291 50 0 IEAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc([C@@]3(C)NC(=O)NC3=O)cc2)cc1OCC ZINC000032818930 556393868 /nfs/dbraw/zinc/39/38/68/556393868.db2.gz DXRFKLMTBUJKQH-HXUWFJFHSA-N -1 1 433.486 2.339 50 0 IEAAMM O=C(c1cc(Br)ccc1[O-])N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000013100788 556460083 /nfs/dbraw/zinc/46/00/83/556460083.db2.gz SYXFJJXIRTVCCS-UHFFFAOYSA-N -1 1 439.331 2.443 50 0 IEAAMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(C2(C(=O)NCCN3CCOCC3)CC2)cc1 ZINC000033115500 556555397 /nfs/dbraw/zinc/55/53/97/556555397.db2.gz MPDRKCBSGWDDOG-UHFFFAOYSA-N -1 1 443.569 2.276 50 0 IEAAMM Cc1nc2n(n1)CCN(C(=O)c1cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc1C)C2 ZINC000072311760 556589891 /nfs/dbraw/zinc/58/98/91/556589891.db2.gz GUYVWXPBLPEXOU-UHFFFAOYSA-N -1 1 429.477 2.491 50 0 IEAAMM COc1ccccc1N1CCN(c2ncc(C(=O)NCc3cccc(F)c3)c(=O)[n-]2)CC1 ZINC000036314033 556596495 /nfs/dbraw/zinc/59/64/95/556596495.db2.gz KGDHTCBZBKRAIZ-UHFFFAOYSA-N -1 1 437.475 2.174 50 0 IEAAMM COc1cccc(NC(=O)C[C@H](CN2CCN(Cc3c(C)noc3C)CC2)C(=O)[O-])c1 ZINC000061721794 556730021 /nfs/dbraw/zinc/73/00/21/556730021.db2.gz NXJIZWJZHNUPSD-QGZVFWFLSA-N -1 1 430.505 2.147 50 0 IEAAMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNc1nc(-c2cccnc2)nc2ccccc21 ZINC000097143613 556992272 /nfs/dbraw/zinc/99/22/72/556992272.db2.gz PXNLLXZGPLIABK-UHFFFAOYSA-N -1 1 442.526 2.140 50 0 IEAAMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000023819753 557118993 /nfs/dbraw/zinc/11/89/93/557118993.db2.gz JKJUYSIKJGKEGY-FQEVSTJZSA-N -1 1 429.542 2.424 50 0 IEAAMM Cc1ccc(-c2cc(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3[O-])n[nH]2)s1 ZINC000069947078 557217955 /nfs/dbraw/zinc/21/79/55/557217955.db2.gz GFIZDDLWOODQQI-UHFFFAOYSA-N -1 1 448.526 2.425 50 0 IEAAMM CC(=O)N1N=C(c2c([O-])[nH]c(=O)n(Cc3ccccc3)c2=O)C[C@@H]1c1c[nH]c2ccccc21 ZINC000101455632 557285901 /nfs/dbraw/zinc/28/59/01/557285901.db2.gz SXJYHLIKPLTNBQ-HXUWFJFHSA-N -1 1 443.463 2.469 50 0 IEAAMM O=c1[nH]c([O-])c(C2=NN[C@@H](c3ccc(Br)cc3)C2)c(=O)n1Cc1ccccc1 ZINC000101762419 557297013 /nfs/dbraw/zinc/29/70/13/557297013.db2.gz OAUNVFPRUZMUOD-OAHLLOKOSA-N -1 1 441.285 2.492 50 0 IEAAMM COc1ccc([C@H]2CC(c3c(=O)[nH]c(=O)n(-c4cc(C)cc(C)c4)c3[O-])=NN2)c(OC)c1 ZINC000101762991 557297484 /nfs/dbraw/zinc/29/74/84/557297484.db2.gz DTAMMYIZRQYPHB-QGZVFWFLSA-N -1 1 436.468 2.304 50 0 IEAAMM NC(=O)COc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4)[n-]c(=O)c32)cc1 ZINC000086056886 568642218 /nfs/dbraw/zinc/64/22/18/568642218.db2.gz AVLWFMBQHRDGLU-INIZCTEOSA-N -1 1 436.493 2.400 50 0 IEAAMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)n1 ZINC000006016363 568740008 /nfs/dbraw/zinc/74/00/08/568740008.db2.gz MIDMHPNUFYPTSM-UHFFFAOYSA-N -1 1 438.575 2.484 50 0 IEAAMM COc1ccc(-c2cc(=NC(=O)COc3ccccc3)n([C@H]3CCS(=O)(=O)C3)[n-]2)cc1 ZINC000334158019 568750900 /nfs/dbraw/zinc/75/09/00/568750900.db2.gz IBEGZJNQDANMAU-KRWDZBQOSA-N -1 1 441.509 2.358 50 0 IEAAMM COc1ccc(Cc2[n-][nH]c(=O)c2[C@@H](CC(N)=O)c2cc(OC)c3c(c2)OCCO3)cc1 ZINC000263588523 568761152 /nfs/dbraw/zinc/76/11/52/568761152.db2.gz VGRFFGDKCJOFRS-INIZCTEOSA-N -1 1 439.468 2.090 50 0 IEAAMM CC[C@H](CCO)NC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc21 ZINC000084733384 568800431 /nfs/dbraw/zinc/80/04/31/568800431.db2.gz ATXJRPZANIZPGB-CQSZACIVSA-N -1 1 447.488 2.359 50 0 IEAAMM CCc1c(C)nc(-n2nc(C)cc2NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)[n-]c1=O ZINC000015729545 568813717 /nfs/dbraw/zinc/81/37/17/568813717.db2.gz SDNSBCVQSXCYQY-INIZCTEOSA-N -1 1 434.500 2.435 50 0 IEAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2CC(=O)N1CCOCC1 ZINC000085651760 568831495 /nfs/dbraw/zinc/83/14/95/568831495.db2.gz UPPNPYSRTXNKLE-UHFFFAOYSA-N -1 1 447.538 2.031 50 0 IEAAMM O=C1Cc2cc(S(=O)(=O)[N-]c3ccc4nc(N5CCOCC5)sc4c3)ccc2N1 ZINC000009882543 569149715 /nfs/dbraw/zinc/14/97/15/569149715.db2.gz RDLBIDQERDXITO-UHFFFAOYSA-N -1 1 430.511 2.428 50 0 IEAAMM COc1ccc(Cc2[n-][nH]c(=O)c2[C@H](CC(N)=O)c2cc3c(c(OC)c2)OCO3)cc1 ZINC000253401473 569288978 /nfs/dbraw/zinc/28/89/78/569288978.db2.gz FQNPFBQEODWSCJ-OAHLLOKOSA-N -1 1 425.441 2.047 50 0 IEAAMM CCOc1cc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)ccc1OCC(=O)N1CCCCC1 ZINC000095432800 569366495 /nfs/dbraw/zinc/36/64/95/569366495.db2.gz AOWALTSXYGDRKD-QGZVFWFLSA-N -1 1 442.520 2.010 50 0 IEAAMM O=C(Cc1sc(N2CCCC2)nc1[O-])Nc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000057681512 569440934 /nfs/dbraw/zinc/44/09/34/569440934.db2.gz VJKIAVIEOOGBJX-CYBMUJFWSA-N -1 1 428.436 2.401 50 0 IEAAMM CCCn1nc(C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)c2ccccc2c1=O ZINC000040052620 569484563 /nfs/dbraw/zinc/48/45/63/569484563.db2.gz CKODNHSBTDMTOL-UHFFFAOYSA-N -1 1 430.486 2.439 50 0 IEAAMM O=C([O-])[C@H](Cc1ccccc1)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc2c(c1)OCO2 ZINC000040309138 569498648 /nfs/dbraw/zinc/49/86/48/569498648.db2.gz ZMBCYVCMEXUSQR-UWJYYQICSA-N -1 1 434.452 2.491 50 0 biogenic IEAAMM C[C@@H]1CCC[C@H](NC(=O)c2c[n-]c3ccc(S(=O)(=O)N4CCOCC4)cc3c2=O)[C@@H]1C ZINC000009495510 569541096 /nfs/dbraw/zinc/54/10/96/569541096.db2.gz LJHFIKNUNWDBPX-CLCXKQKWSA-N -1 1 447.557 2.104 50 0 IEAAMM COc1cccc(NC(=O)CSc2nc(N)c(NC(=O)c3ccc(F)cc3)c(=O)[n-]2)c1 ZINC000009518056 569543835 /nfs/dbraw/zinc/54/38/35/569543835.db2.gz AKFSRCWQRBRJSF-UHFFFAOYSA-N -1 1 443.460 2.483 50 0 IEAAMM COc1cccc(NC(=O)CSc2nc(N)c(NC(=O)c3ccccc3F)c(=O)[n-]2)c1 ZINC000009518088 569543963 /nfs/dbraw/zinc/54/39/63/569543963.db2.gz YTGGXRUWYIEYKU-UHFFFAOYSA-N -1 1 443.460 2.483 50 0 IEAAMM COc1ccccc1NC(=O)CSc1nc(N)c(NC(=O)c2ccccc2F)c(=O)[n-]1 ZINC000009518087 569543979 /nfs/dbraw/zinc/54/39/79/569543979.db2.gz LVDNKGAPKAZHMH-UHFFFAOYSA-N -1 1 443.460 2.483 50 0 IEAAMM COc1ccc([N-]S(=O)(=O)c2ccc(N3CCCCS3(=O)=O)cc2)c(OC)c1 ZINC000009526983 569544533 /nfs/dbraw/zinc/54/45/33/569544533.db2.gz HYZBILCENCASSM-UHFFFAOYSA-N -1 1 426.516 2.435 50 0 IEAAMM COc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1S(=O)(=O)N1CCOCC1 ZINC000009540460 569545773 /nfs/dbraw/zinc/54/57/73/569545773.db2.gz JRFCHUAGJIQNAF-UHFFFAOYSA-N -1 1 446.934 2.170 50 0 IEAAMM O=C(Cn1ccccc1=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000009640579 569555420 /nfs/dbraw/zinc/55/54/20/569555420.db2.gz GDHGCCSUHYLQHJ-UHFFFAOYSA-N -1 1 441.465 2.059 50 0 IEAAMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCCC(=O)N3CCCC3)cc2)cc1 ZINC000009646150 569556286 /nfs/dbraw/zinc/55/62/86/569556286.db2.gz YJUKJNJQHQISEM-UHFFFAOYSA-N -1 1 431.514 2.238 50 0 IEAAMM CCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)n1 ZINC000009660360 569556724 /nfs/dbraw/zinc/55/67/24/569556724.db2.gz CLHXFWSIOJDEHQ-INIZCTEOSA-N -1 1 434.500 2.435 50 0 IEAAMM CCc1c(C)nc(-n2nc(C)cc2NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)[n-]c1=O ZINC000009660398 569556766 /nfs/dbraw/zinc/55/67/66/569556766.db2.gz BDRORDKHSWXYQJ-AWEZNQCLSA-N -1 1 438.463 2.266 50 0 IEAAMM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)OC[C@@H](C(=O)N2CCOCC2)O3)c1C ZINC000009683799 569560454 /nfs/dbraw/zinc/56/04/54/569560454.db2.gz PWLQJRGZMIONTN-FQEVSTJZSA-N -1 1 432.498 2.103 50 0 IEAAMM Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)n(-c2nc3c(c(=O)[n-]2)CCC3)n1 ZINC000009822608 569569593 /nfs/dbraw/zinc/56/95/93/569569593.db2.gz TUVYOICDKRSTND-OAHLLOKOSA-N -1 1 432.484 2.053 50 0 IEAAMM CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)NCCS(=O)(=O)[N-]c2ccccn2)c1 ZINC000079019721 569582998 /nfs/dbraw/zinc/58/29/98/569582998.db2.gz BRFXKEQREKOOKO-MUUNZHRXSA-N -1 1 438.575 2.692 50 0 IEAAMM O=C1[N-]C(=O)[C@@H](Cc2ccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)cc2)S1 ZINC000001396315 132244876 /nfs/dbraw/zinc/24/48/76/132244876.db2.gz XFOWKFXLTXOMFP-GOSISDBHSA-N -1 1 431.539 2.092 50 0 IEAAMM O=C1[N-]C(=O)[C@H](Cc2ccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)cc2)S1 ZINC000001396314 132244887 /nfs/dbraw/zinc/24/48/87/132244887.db2.gz XFOWKFXLTXOMFP-SFHVURJKSA-N -1 1 431.539 2.092 50 0 IEAAMM O=C([N-]c1nnc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)s1)c1ccco1 ZINC000009252335 132311216 /nfs/dbraw/zinc/31/12/16/132311216.db2.gz GLZXGUXOCZEFFP-UHFFFAOYSA-N -1 1 437.478 2.033 50 0 IEAAMM CCCCOC(=O)c1ccc(NC(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)cc1 ZINC000014217143 132356828 /nfs/dbraw/zinc/35/68/28/132356828.db2.gz FTOAREQGSSFJTL-UHFFFAOYSA-N -1 1 442.516 2.443 50 0 IEAAMM CCOC(=O)[C@H]1CCCN(C(=O)c2cc([N-]S(=O)(=O)c3ccc(F)cc3)ccn2)C1 ZINC000020532883 521293110 /nfs/dbraw/zinc/29/31/10/521293110.db2.gz YMVYHTSXUUDWDY-AWEZNQCLSA-N -1 1 435.477 2.437 50 0 IEAAMM CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCCC4)[n-]c(=O)c32)cc1 ZINC000020677686 521508971 /nfs/dbraw/zinc/50/89/71/521508971.db2.gz RTLGIERXEPQXRR-OAHLLOKOSA-N -1 1 439.472 2.001 50 0 IEAAMM CN(CCCNC(=O)c1nc2ccccc2c(=O)[n-]1)C(=O)c1ccc(Br)o1 ZINC000022471444 522769657 /nfs/dbraw/zinc/76/96/57/522769657.db2.gz BQFQHBZRABCVGA-UHFFFAOYSA-N -1 1 433.262 2.171 50 0 IEAAMM COC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)[N-]c3ccc(C)c(N(C)C)c3)cc21 ZINC000020935709 523167938 /nfs/dbraw/zinc/16/79/38/523167938.db2.gz ZJCGTPLALMIUBI-UHFFFAOYSA-N -1 1 449.554 2.474 50 0 IEAAMM COc1ccc(-n2c([O-])c([C@H]3c4[nH]c5ccccc5c4CCN3C)c(=O)n(C)c2=O)cc1 ZINC000020757257 523318805 /nfs/dbraw/zinc/31/88/05/523318805.db2.gz RPKDXDNXMALHIN-NRFANRHFSA-N -1 1 432.480 2.309 50 0 biogenic IEAAMM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(S(N)(=O)=O)cc1)[nH]c1c2C(=O)CCC1 ZINC000020990216 525615961 /nfs/dbraw/zinc/61/59/61/525615961.db2.gz UBWFTAMPCBUPQZ-UHFFFAOYSA-N -1 1 433.511 2.444 50 0 IEAAMM O=C(/C=C/c1ccccc1)NCCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000012769829 527632982 /nfs/dbraw/zinc/63/29/82/527632982.db2.gz OOLKKDKBVOVMGX-DHZHZOJOSA-N -1 1 443.525 2.335 50 0 IEAAMM O=C(NCCCNC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccc(Br)cc1 ZINC000022470819 527676402 /nfs/dbraw/zinc/67/64/02/527676402.db2.gz LTXDKMORDWPPQL-UHFFFAOYSA-N -1 1 429.274 2.236 50 0 IEAAMM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(N3C(=O)C(C)(C)CS3(=O)=O)cc2)c1 ZINC000013719680 556289042 /nfs/dbraw/zinc/28/90/42/556289042.db2.gz IRMCFZFFTJNALC-UHFFFAOYSA-N -1 1 436.511 2.393 50 0 IEAAMM CC[N-]S(=O)(=O)c1sc2c(c1C(=O)OC)CCN(C(=O)CCc1ccccc1)C2 ZINC000015071088 556495771 /nfs/dbraw/zinc/49/57/71/556495771.db2.gz PSFYFVDZQRGAQZ-UHFFFAOYSA-N -1 1 436.555 2.350 50 0 IEAAMM C[C@@H](NC(=O)C[C@@H](CNC(=O)[C@@H]1Cc2ccccc2CN1)c1ccc(Cl)cc1)C(=O)[O-] ZINC000013548275 556514596 /nfs/dbraw/zinc/51/45/96/556514596.db2.gz RZVSRXZQGHHOQZ-WNYOCNMUSA-N -1 1 443.931 2.234 50 0 IEAAMM O=C([O-])CC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000016033797 556577122 /nfs/dbraw/zinc/57/71/22/556577122.db2.gz LGEIMNNDBQRHJD-BREDGVMVSA-N -1 1 439.855 2.130 50 0 IEAAMM COc1cc2c(cc1OC)[C@@H](c1c(=O)[nH]c(=O)n(-c3ccc(Cl)cc3)c1[O-])NCC2 ZINC000016996420 556652339 /nfs/dbraw/zinc/65/23/39/556652339.db2.gz BKXXKCNWHLPJKW-SFHVURJKSA-N -1 1 429.860 2.137 50 0 biogenic IEAAMM COC(=O)[C@@H](C)[C@H](NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)c1ccccc1 ZINC000072313091 556688419 /nfs/dbraw/zinc/68/84/19/556688419.db2.gz BTAKYGWFVMDNLA-SJCJKPOMSA-N -1 1 444.506 2.026 50 0 IEAAMM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccc4c(c3)N(S(C)(=O)=O)CC4)ccc21 ZINC000019819468 556922895 /nfs/dbraw/zinc/92/28/95/556922895.db2.gz NIOJMYFLQVIWKJ-UHFFFAOYSA-N -1 1 449.554 2.109 50 0 IEAAMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)N1CCC[C@H](N2CCNC2=O)C1 ZINC000048324491 557065389 /nfs/dbraw/zinc/06/53/89/557065389.db2.gz RUCVKMUSEJAOAM-SFHVURJKSA-N -1 1 446.504 2.256 50 0 IEAAMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)NCc2cccc(NS(C)(=O)=O)c2)cc1 ZINC000011360432 557110525 /nfs/dbraw/zinc/11/05/25/557110525.db2.gz OHCAKCSNPZYZBF-UHFFFAOYSA-N -1 1 447.542 2.304 50 0 IEAAMM Cc1cc(=O)[n-]c(SCC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)n1 ZINC000018126175 557240571 /nfs/dbraw/zinc/24/05/71/557240571.db2.gz OVONQXHXWDGKPN-UHFFFAOYSA-N -1 1 442.950 2.247 50 0 IEAAMM COc1ccc([C@@H]2CC(c3c([O-])[nH]c(=O)n(C4CCCCC4)c3=O)=NN2C(C)=O)cc1 ZINC000101456271 557286699 /nfs/dbraw/zinc/28/66/99/557286699.db2.gz NAPQZEOLYDDTPE-SFHVURJKSA-N -1 1 426.473 2.454 50 0 IEAAMM COc1ccccc1-n1c(=O)[nH]c(=O)c(C2=NN(C(C)=O)[C@H](c3ccc(C)s3)C2)c1[O-] ZINC000101456039 557286774 /nfs/dbraw/zinc/28/67/74/557286774.db2.gz YJNWETSJINYOJS-HNNXBMFYSA-N -1 1 440.481 2.308 50 0 IEAAMM COc1ccccc1[C@@H]1CC(c2c(=O)[nH]c(=O)n(-c3ccccc3C)c2[O-])=NN1C(C)=O ZINC000101456784 557287291 /nfs/dbraw/zinc/28/72/91/557287291.db2.gz XPEYCKPOSXJPAQ-SFHVURJKSA-N -1 1 434.452 2.246 50 0 IEAAMM CCc1cc2c(COC(=O)CCN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)cc(=O)oc2cc1[O-] ZINC000102129630 557313102 /nfs/dbraw/zinc/31/31/02/557313102.db2.gz JUWIPFNZXFYUIN-IYBDPMFKSA-N -1 1 425.437 2.446 50 0 IEAAMM COC(=O)C[C@@H](c1cc(OC)c(OC)c(OC)c1)c1c([O-])nc2ccc(C)cn2c1=O ZINC000205956296 557389703 /nfs/dbraw/zinc/38/97/03/557389703.db2.gz WROXBEQDWRFPSI-AWEZNQCLSA-N -1 1 428.441 2.429 50 0 IEAAMM COC(=O)C[C@@H](c1cc2c(c(OC)c1)OCO2)c1c([O-])nc2ccc(Cl)cn2c1=O ZINC000205962940 557396166 /nfs/dbraw/zinc/39/61/66/557396166.db2.gz YEXMSQZUIMHVTC-LBPRGKRZSA-N -1 1 432.816 2.486 50 0 IEAAMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCCCN3CCOCC3)cc2)cc1 ZINC000015940631 563019308 /nfs/dbraw/zinc/01/93/08/563019308.db2.gz CYBKSDNPYDNOBS-UHFFFAOYSA-N -1 1 447.557 2.338 50 0 IEAAMM O=C(CN1CCCC1=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000012541704 568743871 /nfs/dbraw/zinc/74/38/71/568743871.db2.gz YAEOIXRTXSBJFK-UHFFFAOYSA-N -1 1 445.497 2.210 50 0 IEAAMM CC[C@@H](CCO)NC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc21 ZINC000084733381 568800481 /nfs/dbraw/zinc/80/04/81/568800481.db2.gz ATXJRPZANIZPGB-AWEZNQCLSA-N -1 1 447.488 2.359 50 0 IEAAMM CCc1nn2c(nc(CSc3nc(-c4ccccc4)nc4cc(=O)[n-]n43)cc2=O)s1 ZINC000015732540 568815247 /nfs/dbraw/zinc/81/52/47/568815247.db2.gz PMGBRGYOQAAFEE-UHFFFAOYSA-N -1 1 437.510 2.404 50 0 IEAAMM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1nc(OC)nc(N2CCCCC2)n1 ZINC000575608660 568878403 /nfs/dbraw/zinc/87/84/03/568878403.db2.gz XHHFUTSCQYABMU-UHFFFAOYSA-N -1 1 427.914 2.011 50 0 IEAAMM CCOC(=O)[C@@H]1CCCN(c2ncc(C(=O)[O-])cc2NS(=O)(=O)c2ccccc2)C1 ZINC000064843633 568971563 /nfs/dbraw/zinc/97/15/63/568971563.db2.gz FIYKKTOHOVDKBO-CQSZACIVSA-N -1 1 433.486 2.360 50 0 IEAAMM CC(C)N1CCCn2cc(S(=O)(=O)[N-]c3ccc(N4CCOCC4)cc3)cc2C1=O ZINC000065258827 569124744 /nfs/dbraw/zinc/12/47/44/569124744.db2.gz BOWJFYCZFYPNOJ-UHFFFAOYSA-N -1 1 432.546 2.380 50 0 IEAAMM O=C([C@H]1CCCO1)N1CCc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc21 ZINC000013696710 569156686 /nfs/dbraw/zinc/15/66/86/569156686.db2.gz YXWBJKVLTXAKTI-LJQANCHMSA-N -1 1 430.482 2.327 50 0 IEAAMM COC(=O)N1CCc2ccc([N-]S(=O)(=O)c3cc4c5c(c3)CCC(=O)N5CC4)cc2C1 ZINC000096102799 569381931 /nfs/dbraw/zinc/38/19/31/569381931.db2.gz ZQZICMSWPUNWQJ-UHFFFAOYSA-N -1 1 441.509 2.447 50 0 IEAAMM COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)Nc2cccc(C(=O)N(C)C)c2)c1OC ZINC000096942890 569402682 /nfs/dbraw/zinc/40/26/82/569402682.db2.gz KVQPUUDCQIRVJQ-HJWRWDBZSA-N -1 1 434.470 2.304 50 0 IEAAMM O=S(=O)(N[C@@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3)c1ccc(F)cc1Cl ZINC000670439687 569447869 /nfs/dbraw/zinc/44/78/69/569447869.db2.gz CDBUJWIMEAIWJF-VZDHWGDASA-N -1 1 435.952 2.325 50 0 IEAAMM O=S(=O)([N-]c1ccc(Cl)cc1)c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000031772947 569457266 /nfs/dbraw/zinc/45/72/66/569457266.db2.gz YVQNGIAIQUSKDD-MRXNPFEDSA-N -1 1 449.959 2.102 50 0 IEAAMM CC(C)N(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000008710315 569470886 /nfs/dbraw/zinc/47/08/86/569470886.db2.gz VZYMIVUSLTYFEW-UHFFFAOYSA-N -1 1 426.516 2.288 50 0 IEAAMM CC(=O)N[C@@H](C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1)C(C)C ZINC000009157143 569508396 /nfs/dbraw/zinc/50/83/96/569508396.db2.gz FGXBHZKWYOFNIE-HXUWFJFHSA-N -1 1 447.513 2.358 50 0 IEAAMM CC(=O)N[C@H](C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1)C(C)C ZINC000009157142 569508427 /nfs/dbraw/zinc/50/84/27/569508427.db2.gz FGXBHZKWYOFNIE-FQEVSTJZSA-N -1 1 447.513 2.358 50 0 IEAAMM O=C([O-])CCNC(=O)C[C@@H](CNC(=O)[C@@H]1Cc2ccccc2CN1)c1ccc(Cl)cc1 ZINC000009435667 569534808 /nfs/dbraw/zinc/53/48/08/569534808.db2.gz XRJKHYRXRGQPRE-ICSRJNTNSA-N -1 1 443.931 2.235 50 0 IEAAMM COCCNC(=O)c1c[n-]c2ccc(S(=O)(=O)N(C)c3c(C)cccc3C)cc2c1=O ZINC000009490575 569540177 /nfs/dbraw/zinc/54/01/77/569540177.db2.gz GCUHOOJTAFEGCL-UHFFFAOYSA-N -1 1 443.525 2.346 50 0 IEAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)C(F)F)cc2)cc1NC(C)=O ZINC000009590916 569550043 /nfs/dbraw/zinc/55/00/43/569550043.db2.gz NIRMOVYGDVORIS-UHFFFAOYSA-N -1 1 434.442 2.451 50 0 IEAAMM COc1cc(C=CC(=O)Nc2cc(C)nn2-c2nc(C)cc(=O)[n-]2)cc(OC)c1OC ZINC000009660342 569556749 /nfs/dbraw/zinc/55/67/49/569556749.db2.gz XDRDDIURIARXIK-VOTSOKGWSA-N -1 1 425.445 2.250 50 0 IEAAMM Cc1cc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)n(-c2nc3c(c(=O)[n-]2)CCC3)n1 ZINC000009660409 569556795 /nfs/dbraw/zinc/55/67/95/569556795.db2.gz DMLYIOOJVVIZCN-INIZCTEOSA-N -1 1 446.511 2.361 50 0 IEAAMM COc1cc(C(=O)Nc2cc(C)nn2-c2nc3c(c(=O)[n-]2)CCC3)cc(OC)c1OC ZINC000009660402 569556801 /nfs/dbraw/zinc/55/68/01/569556801.db2.gz ZZCQZVHBUOPUIE-UHFFFAOYSA-N -1 1 425.445 2.031 50 0 IEAAMM O=C(NCCCn1ccnc1)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000009672177 569558759 /nfs/dbraw/zinc/55/87/59/569558759.db2.gz KNBNLMGKXLNKBV-UHFFFAOYSA-N -1 1 442.497 2.275 50 0 IEAAMM COC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)[N-]c3cccc(C(C)=O)c3)cc21 ZINC000009153234 132307011 /nfs/dbraw/zinc/30/70/11/132307011.db2.gz XMQWVVXPLKJDIY-UHFFFAOYSA-N -1 1 434.495 2.302 50 0 IEAAMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N(C)CCOc1ccccc1Cl ZINC000010285067 132335464 /nfs/dbraw/zinc/33/54/64/132335464.db2.gz LAJCDBPCDNUFFU-UHFFFAOYSA-N -1 1 434.924 2.038 50 0 IEAAMM CCOC(=O)CNC(=O)CSc1nnc([N-]C(=O)c2nc3ccccc3s2)s1 ZINC000042379301 520779742 /nfs/dbraw/zinc/77/97/42/520779742.db2.gz TZOKHUSWMGJRAP-UHFFFAOYSA-N -1 1 437.528 2.172 50 0 IEAAMM COc1ccc(-n2c([O-])c([C@@H]3c4[nH]c5ccccc5c4CCN3C)c(=O)n(C)c2=O)cc1 ZINC000020757263 523319602 /nfs/dbraw/zinc/31/96/02/523319602.db2.gz RPKDXDNXMALHIN-OAQYLSRUSA-N -1 1 432.480 2.309 50 0 biogenic IEAAMM CN1C(=O)Cc2cc(S(=O)(=O)[N-]c3ccc4nc(N5CCOCC5)sc4c3)ccc21 ZINC000012648759 523714978 /nfs/dbraw/zinc/71/49/78/523714978.db2.gz GIBAFUJMSMMNDQ-UHFFFAOYSA-N -1 1 444.538 2.453 50 0 IEAAMM COCCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000021712765 523919235 /nfs/dbraw/zinc/91/92/35/523919235.db2.gz LWZILAAJWJJFRO-HXUWFJFHSA-N -1 1 445.541 2.163 50 0 IEAAMM COc1ccc(NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)cc1[N-]S(C)(=O)=O ZINC000012553337 524643835 /nfs/dbraw/zinc/64/38/35/524643835.db2.gz UBNDQCLSOCRJHI-GOSISDBHSA-N -1 1 433.486 2.437 50 0 IEAAMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NCCCN3CCOCC3)cc2)ccc1F ZINC000012520844 525420163 /nfs/dbraw/zinc/42/01/63/525420163.db2.gz HWEBFPAMKGCRPP-UHFFFAOYSA-N -1 1 435.521 2.387 50 0 IEAAMM COc1cccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCc5ccccc5C4)[n-]c(=O)c32)c1 ZINC000012323534 526199431 /nfs/dbraw/zinc/19/94/31/526199431.db2.gz GCSPNDPINPVZMD-SFHVURJKSA-N -1 1 445.479 2.406 50 0 IEAAMM Cc1cc(=O)[n-]c(S[C@H](C(=O)Nc2ccc(S(N)(=O)=O)cc2)c2ccccc2)n1 ZINC000013844223 556318429 /nfs/dbraw/zinc/31/84/29/556318429.db2.gz OKZLGLNLHHBNOV-KRWDZBQOSA-N -1 1 430.511 2.198 50 0 IEAAMM CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000032765620 556332808 /nfs/dbraw/zinc/33/28/08/556332808.db2.gz MCQAPDJUSKGOCY-UHFFFAOYSA-N -1 1 442.540 2.348 50 0 IEAAMM CSc1nc(C)c(CCC(=O)NCCNC(=O)c2ccc(C(F)(F)F)cc2)c(=O)[n-]1 ZINC000029915428 556486617 /nfs/dbraw/zinc/48/66/17/556486617.db2.gz MQWIVZATRNIRKT-UHFFFAOYSA-N -1 1 442.463 2.298 50 0 IEAAMM COc1ccc([O-])c(C(=O)c2cnn(C(=O)c3ccc4c(c3)nc3n(c4=O)CCC3)c2)c1 ZINC000013149842 556491521 /nfs/dbraw/zinc/49/15/21/556491521.db2.gz GUHPJNKLBXVWOI-UHFFFAOYSA-N -1 1 430.420 2.173 50 0 IEAAMM CCCc1cc(=O)[n-]c(SCC(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)n1 ZINC000013163732 556494400 /nfs/dbraw/zinc/49/44/00/556494400.db2.gz UIXLBNKOJJLEKM-QGZVFWFLSA-N -1 1 435.571 2.030 50 0 IEAAMM CCCc1cc(=O)[n-]c(SCC(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)n1 ZINC000013163733 556494417 /nfs/dbraw/zinc/49/44/17/556494417.db2.gz UIXLBNKOJJLEKM-KRWDZBQOSA-N -1 1 435.571 2.030 50 0 IEAAMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)n1 ZINC000015379223 556523539 /nfs/dbraw/zinc/52/35/39/556523539.db2.gz FMQYKANPSPSOHP-UHFFFAOYSA-N -1 1 444.966 2.357 50 0 IEAAMM Cc1cc(=O)[n-]c(SCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)n1 ZINC000013597828 556532382 /nfs/dbraw/zinc/53/23/82/556532382.db2.gz ZIKLDZAGSMECHS-UHFFFAOYSA-N -1 1 436.559 2.292 50 0 IEAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NCCN3C(=O)CCCC3=O)cc2)c1 ZINC000072305418 556552881 /nfs/dbraw/zinc/55/28/81/556552881.db2.gz FQNNOZFURGXAND-UHFFFAOYSA-N -1 1 443.525 2.373 50 0 IEAAMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000071805067 556627808 /nfs/dbraw/zinc/62/78/08/556627808.db2.gz YPSUDFUWHKAKST-IBGZPJMESA-N -1 1 428.508 2.220 50 0 IEAAMM O=C(Nc1cccc(OC(F)(F)F)c1)[C@@H]1CC(=O)Nc2nc(N3CCCC3)[n-]c(=O)c21 ZINC000040283917 556634342 /nfs/dbraw/zinc/63/43/42/556634342.db2.gz BXOSMIUDJVPKSP-GFCCVEGCSA-N -1 1 437.378 2.333 50 0 IEAAMM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(N3CCC[N@@H+](C)CC3)cc2C(=O)[O-])c1 ZINC000033007241 556655813 /nfs/dbraw/zinc/65/58/13/556655813.db2.gz UUXUYKOPNJQLKL-UHFFFAOYSA-N -1 1 449.529 2.345 50 0 IEAAMM COC(=O)[C@@H](C)[C@@H](NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)c1ccccc1 ZINC000072313093 556688470 /nfs/dbraw/zinc/68/84/70/556688470.db2.gz BTAKYGWFVMDNLA-YVEFUNNKSA-N -1 1 444.506 2.026 50 0 IEAAMM O=C(C[N-]S(=O)(=O)c1c(Br)cc(F)cc1Br)N1CCCC1 ZINC000062581763 556837979 /nfs/dbraw/zinc/83/79/79/556837979.db2.gz DZDFIMYYLGTZFV-UHFFFAOYSA-N -1 1 444.120 2.251 50 0 IEAAMM CCOC(=O)c1sc2[n-]c([C@@H](C)OC(=O)CN3CCSC3=O)nc(=O)c2c1C ZINC000008718921 556842967 /nfs/dbraw/zinc/84/29/67/556842967.db2.gz UGAKFSRGXCEPSL-SECBINFHSA-N -1 1 425.488 2.243 50 0 IEAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCCN3CCOCC3)c2)cc1F ZINC000023078892 556996141 /nfs/dbraw/zinc/99/61/41/556996141.db2.gz ABKLKQPQRKLZAE-UHFFFAOYSA-N -1 1 435.521 2.387 50 0 IEAAMM Cc1cccn2c(=O)c3c(nc12)N1CCc2ccccc2[C@@H]1[C@]1(C3)C(=O)[N-]C(=S)NC1=O ZINC000017722291 557112768 /nfs/dbraw/zinc/11/27/68/557112768.db2.gz QOSLEMFLADWGKV-MRXNPFEDSA-N -1 1 445.504 2.020 50 0 IEAAMM Cc1cccn2c(=O)c3c(nc12)N1CCc2ccccc2[C@@H]1[C@@]1(C3)C(=O)[N-]C(=S)NC1=O ZINC000017722291 557112774 /nfs/dbraw/zinc/11/27/74/557112774.db2.gz QOSLEMFLADWGKV-MRXNPFEDSA-N -1 1 445.504 2.020 50 0 IEAAMM COc1ccc([C@@H](NC(=O)CCc2c(C)nc(SC)[n-]c2=O)c2nccn2C)cc1 ZINC000024026246 557132333 /nfs/dbraw/zinc/13/23/33/557132333.db2.gz GNNAGDZMGGEILL-GOSISDBHSA-N -1 1 427.530 2.381 50 0 IEAAMM CC(=O)N1N=C(c2c([O-])[nH]c(=O)n(Cc3ccccc3)c2=O)C[C@H]1c1c[nH]c2ccccc21 ZINC000101455630 557285885 /nfs/dbraw/zinc/28/58/85/557285885.db2.gz SXJYHLIKPLTNBQ-FQEVSTJZSA-N -1 1 443.463 2.469 50 0 IEAAMM COc1cc([C@H]2CC(c3c([O-])[nH]c(=O)n(C4CCCCC4)c3=O)=NN2)cc(OC)c1OC ZINC000101762095 557297136 /nfs/dbraw/zinc/29/71/36/557297136.db2.gz NSZHMVXWMRNMHM-CQSZACIVSA-N -1 1 444.488 2.212 50 0 IEAAMM COc1ccc(OC)c([C@@H]2CC(c3c(=O)[nH]c(=O)n(-c4ccc(Cl)cc4)c3[O-])=NN2)c1 ZINC000101762633 557297519 /nfs/dbraw/zinc/29/75/19/557297519.db2.gz ILHFWWGOYQSNRT-HNNXBMFYSA-N -1 1 442.859 2.341 50 0 IEAAMM COc1ccc([C@H]2CC(c3c(=O)[nH]c(=O)n(-c4cccc(Cl)c4)c3[O-])=NN2)c(OC)c1 ZINC000101763115 557297527 /nfs/dbraw/zinc/29/75/27/557297527.db2.gz HJGSTTXZBLQOMJ-OAHLLOKOSA-N -1 1 442.859 2.341 50 0 IEAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(S(N)(=O)=O)c2)cc1Br ZINC000023245419 557313620 /nfs/dbraw/zinc/31/36/20/557313620.db2.gz JCBATKMCKCFRRE-UHFFFAOYSA-N -1 1 435.321 2.214 50 0 IEAAMM COC(=O)C[C@H](c1cc(OC)c(OC)c(OC)c1)c1c([O-])nc2ccc(C)cn2c1=O ZINC000205956313 557389808 /nfs/dbraw/zinc/38/98/08/557389808.db2.gz WROXBEQDWRFPSI-CQSZACIVSA-N -1 1 428.441 2.429 50 0 IEAAMM O=C([O-])[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)CN1CCN(c2ncccn2)CC1 ZINC000072403077 557395719 /nfs/dbraw/zinc/39/57/19/557395719.db2.gz LYARLEMGHWBVHG-AWEZNQCLSA-N -1 1 437.422 2.347 50 0 IEAAMM CN(Cc1cnn(C)c1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000025049060 557856639 /nfs/dbraw/zinc/85/66/39/557856639.db2.gz MPPBDZQTECEDQT-UHFFFAOYSA-N -1 1 442.497 2.264 50 0 IEAAMM O=C(COC(=O)Cc1sc(N2CCCC2)nc1[O-])Nc1ccc(Br)cc1 ZINC000009129174 562967660 /nfs/dbraw/zinc/96/76/60/562967660.db2.gz AMZUEMLWPJANOU-CYBMUJFWSA-N -1 1 440.319 2.415 50 0 IEAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)OCC(=O)NC[C@@H]3CCCO3)cc2)cc1 ZINC000009138672 562967763 /nfs/dbraw/zinc/96/77/63/562967763.db2.gz DMKRNTQHZKLTOC-SFHVURJKSA-N -1 1 432.498 2.248 50 0 IEAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)OCC(=O)NC[C@H]3CCCO3)cc2)cc1 ZINC000009138674 562967792 /nfs/dbraw/zinc/96/77/92/562967792.db2.gz DMKRNTQHZKLTOC-GOSISDBHSA-N -1 1 432.498 2.248 50 0 IEAAMM COc1ccc(NC(=O)CSc2nc(N)c(NC(=O)c3ccccc3F)c(=O)[n-]2)cc1 ZINC000009518089 562972797 /nfs/dbraw/zinc/97/27/97/562972797.db2.gz GHIOSNIYTQFRRM-UHFFFAOYSA-N -1 1 443.460 2.483 50 0 IEAAMM COc1ccc(CCN2C(=O)[N-]C(=O)[C@@]3(Cc4cc(C)ccc4N(C)C3)C2=O)cc1OC ZINC000003874119 568754877 /nfs/dbraw/zinc/75/48/77/568754877.db2.gz MABODVGUOXUNNB-DEOSSOPVSA-N -1 1 437.496 2.312 50 0 biogenic IEAAMM COC(=O)Cc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(OC)nc2Br)c1 ZINC000083962545 568787114 /nfs/dbraw/zinc/78/71/14/568787114.db2.gz WUXWBEQBJPKAKN-UHFFFAOYSA-N -1 1 445.291 2.378 50 0 IEAAMM COC(=O)Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccc(OC(F)(F)F)cc3)ccc21 ZINC000064818772 568965412 /nfs/dbraw/zinc/96/54/12/568965412.db2.gz BXSUKZYKKBLTTK-UHFFFAOYSA-N -1 1 446.359 2.467 50 0 IEAAMM CC(=O)N[C@H](CC(=O)OCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1)c1cccs1 ZINC000037136569 569140263 /nfs/dbraw/zinc/14/02/63/569140263.db2.gz PJLYXCCTQVDHIM-CQSZACIVSA-N -1 1 440.424 2.417 50 0 IEAAMM Cc1noc(C)c1CN1CCN(C[C@@H](CC(=O)NCc2ccccc2Cl)C(=O)[O-])CC1 ZINC000071285831 569150938 /nfs/dbraw/zinc/15/09/38/569150938.db2.gz OCIQTCTZPLDYBC-GOSISDBHSA-N -1 1 448.951 2.470 50 0 IEAAMM Cc1nn(-c2nc(C)cc(=O)[n-]2)c(C)c1CCC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000016849558 569164479 /nfs/dbraw/zinc/16/44/79/569164479.db2.gz QNKYWNKAHRGDRP-UHFFFAOYSA-N -1 1 434.544 2.158 50 0 IEAAMM Cc1cccc(C)c1[N-]S(=O)(=O)c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000031772919 569457271 /nfs/dbraw/zinc/45/72/71/569457271.db2.gz PDFQULHNIHJKMH-QGZVFWFLSA-N -1 1 443.568 2.065 50 0 IEAAMM C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCC(C(=O)c3ccc([O-])cc3)CC1)C2=O ZINC000040040059 569483381 /nfs/dbraw/zinc/48/33/81/569483381.db2.gz GGMCFKJPGQDTEQ-WNSKOXEYSA-N -1 1 427.501 2.314 50 0 IEAAMM Cc1ncc2c(c1O)[C@@H](c1c(=O)[nH]c(=O)n(-c3ccc(Br)cc3)c1[O-])OC2 ZINC000008918567 569486250 /nfs/dbraw/zinc/48/62/50/569486250.db2.gz DHBOZPJBAVWPJE-HNNXBMFYSA-N -1 1 432.230 2.023 50 0 biogenic IEAAMM N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)CC1 ZINC000008952566 569489988 /nfs/dbraw/zinc/48/99/88/569489988.db2.gz VLUBABAGEKOXMU-RBBKRZOGSA-N -1 1 448.523 2.218 50 0 biogenic IEAAMM CCCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)C(=O)NCc2ccc(Cl)cc2)n1 ZINC000009038129 569497360 /nfs/dbraw/zinc/49/73/60/569497360.db2.gz BQTQKZABLBMDKK-UHFFFAOYSA-N -1 1 428.880 2.125 50 0 IEAAMM O=C(NC[C@@H]1CCCO1)c1cc(=O)[nH]c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc21 ZINC000009245312 569515256 /nfs/dbraw/zinc/51/52/56/569515256.db2.gz HCXNCGDUODVCCP-HNNXBMFYSA-N -1 1 445.472 2.377 50 0 IEAAMM COc1ccc(-c2noc(CNC(=O)Cc3c(C)c4c([O-])cc(O)cc4oc3=O)n2)cc1 ZINC000009420429 569532657 /nfs/dbraw/zinc/53/26/57/569532657.db2.gz ANIAKBUVGMOUAC-UHFFFAOYSA-N -1 1 437.408 2.430 50 0 IEAAMM Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)n(-c2nc3c(c(=O)[n-]2)CCC3)n1 ZINC000009660408 569556819 /nfs/dbraw/zinc/55/68/19/569556819.db2.gz DMLYIOOJVVIZCN-MRXNPFEDSA-N -1 1 446.511 2.361 50 0 IEAAMM O=C(Cc1sc(N2CCCC2)nc1[O-])Nc1ccc(C(=O)NCc2ccccn2)cc1 ZINC000010034873 569577401 /nfs/dbraw/zinc/57/74/01/569577401.db2.gz YIWFOBSDRFUSRD-GOSISDBHSA-N -1 1 437.525 2.434 50 0 IEAAMM CCCNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)cc1 ZINC000012758740 519978794 /nfs/dbraw/zinc/97/87/94/519978794.db2.gz QGGQMOVSSYVHCJ-UHFFFAOYSA-N -1 1 441.531 2.143 50 0 IEAAMM CCOC(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(OC)cc3)c2)CC1 ZINC000012526455 520951208 /nfs/dbraw/zinc/95/12/08/520951208.db2.gz CFSTYSOWEKEVFF-UHFFFAOYSA-N -1 1 447.513 2.410 50 0 IEAAMM CCCn1c2ccc([N-]S(=O)(=O)c3ccc4c(c3)n(C)c(=O)n4C)cc2sc1=O ZINC000035508389 521636700 /nfs/dbraw/zinc/63/67/00/521636700.db2.gz LLPZGYPRHQEYIT-UHFFFAOYSA-N -1 1 432.527 2.464 50 0 IEAAMM COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)Nc2cccc(C(=O)N(C)C)c2)c1OC ZINC000022514439 521934080 /nfs/dbraw/zinc/93/40/80/521934080.db2.gz KVQPUUDCQIRVJQ-CMDGGOBGSA-N -1 1 434.470 2.304 50 0 IEAAMM CNC(=O)C1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(OC)cc3)cc2)CC1 ZINC000012583985 524049277 /nfs/dbraw/zinc/04/92/77/524049277.db2.gz KLALIXASIOMZBN-UHFFFAOYSA-N -1 1 431.514 2.094 50 0 IEAAMM COc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN(CC(=O)N4CCCCCC4)CC3)c2c1 ZINC000020739149 525493700 /nfs/dbraw/zinc/49/37/00/525493700.db2.gz NCRXWCVQYNECLD-JOCHJYFZSA-N -1 1 428.533 2.322 50 0 IEAAMM O=C(CCC(=O)N1CCOCC1)N1CCc2cc(S(=O)(=O)[N-]c3ccccc3)ccc21 ZINC000035399117 526380536 /nfs/dbraw/zinc/38/05/36/526380536.db2.gz JNOHUHATLBPMSJ-UHFFFAOYSA-N -1 1 443.525 2.016 50 0 IEAAMM O=S(=O)([N-]CCCN1CCOCC1)c1cc(Br)c(Br)s1 ZINC000020757692 527215861 /nfs/dbraw/zinc/21/58/61/527215861.db2.gz BKHDLWNWRUVYEQ-UHFFFAOYSA-N -1 1 448.202 2.274 50 0 IEAAMM O=C(Nc1ncccc1O)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000022261765 527522046 /nfs/dbraw/zinc/52/20/46/527522046.db2.gz OZFJPBASYMHNSN-UHFFFAOYSA-N -1 1 425.426 2.010 50 0 IEAAMM CCN(CC)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000000810774 555560654 /nfs/dbraw/zinc/56/06/54/555560654.db2.gz YCXUDFYDNSTJIX-UHFFFAOYSA-N -1 1 426.516 2.289 50 0 IEAAMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(N3C(=O)C(C)(C)CS3(=O)=O)cc2)cc1 ZINC000013691563 556281087 /nfs/dbraw/zinc/28/10/87/556281087.db2.gz GNPSUKAPLXVNCK-UHFFFAOYSA-N -1 1 436.511 2.393 50 0 IEAAMM Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])cc2)n1 ZINC000013250535 556500664 /nfs/dbraw/zinc/50/06/64/556500664.db2.gz RQRFFPJXFOYGDK-IAGOWNOFSA-N -1 1 430.486 2.500 50 0 IEAAMM C[C@@H](Sc1nc(-c2ccccc2)cc(=O)[n-]1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000013570083 556521466 /nfs/dbraw/zinc/52/14/66/556521466.db2.gz IMUFDTRKOHFJKS-GFCCVEGCSA-N -1 1 430.511 2.204 50 0 IEAAMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2cc3[nH]c(=O)[nH]c3cc2Br)n1 ZINC000016680477 556623824 /nfs/dbraw/zinc/62/38/24/556623824.db2.gz CDMFMTXWWXHAAG-UHFFFAOYSA-N -1 1 438.307 2.385 50 0 IEAAMM COc1ccccc1-c1nc([N-]C(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)n[nH]1 ZINC000058171471 556768184 /nfs/dbraw/zinc/76/81/84/556768184.db2.gz RSNCUYNGVXQYAX-UHFFFAOYSA-N -1 1 431.474 2.419 50 0 IEAAMM COc1ccc(CNC(=O)c2cccc([N-]S(=O)(=O)c3ccc4n[nH]nc4c3)c2)cn1 ZINC000097000804 556978706 /nfs/dbraw/zinc/97/87/06/556978706.db2.gz XWYAKNZONXXKMT-UHFFFAOYSA-N -1 1 438.469 2.092 50 0 IEAAMM CN(Cc1cccnc1)C(=O)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000097033699 556979629 /nfs/dbraw/zinc/97/96/29/556979629.db2.gz SNZVFCJJMYZMBH-UHFFFAOYSA-N -1 1 434.262 2.059 50 0 IEAAMM O=C(Cc1cc(=O)[n-]c(SCc2ccccc2F)n1)N1CCN(c2ncccn2)CC1 ZINC000023138383 557021299 /nfs/dbraw/zinc/02/12/99/557021299.db2.gz KOCWBRDJQFQPGM-UHFFFAOYSA-N -1 1 440.504 2.295 50 0 IEAAMM Cc1nc(SCc2ccccc2)[n-]c(=O)c1CC(=O)N1CCN(c2ncccn2)CC1 ZINC000023138479 557021633 /nfs/dbraw/zinc/02/16/33/557021633.db2.gz GFJXYWODXMFTMG-UHFFFAOYSA-N -1 1 436.541 2.052 50 0 IEAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(CN3C(=O)CNC3=O)cc2)cc1OCC ZINC000023055764 557060740 /nfs/dbraw/zinc/06/07/40/557060740.db2.gz ABVWKXLOJHRHCG-UHFFFAOYSA-N -1 1 433.486 2.337 50 0 IEAAMM COC(=O)CNC(=O)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccc(C)cc4)c3[n-]2)C1 ZINC000049421305 557107825 /nfs/dbraw/zinc/10/78/25/557107825.db2.gz XLQYHEBGPDRLSP-OAHLLOKOSA-N -1 1 440.525 2.466 50 0 IEAAMM CCOc1ccc([C@@H]2CC(c3c([O-])[nH]c(=O)n(Cc4ccccc4)c3=O)=NN2C(C)=O)cc1 ZINC000101456335 557287029 /nfs/dbraw/zinc/28/70/29/557287029.db2.gz SVDQNTRCJVOVGP-FQEVSTJZSA-N -1 1 448.479 2.387 50 0 IEAAMM COc1ccccc1[C@H]1CC(c2c(=O)[nH]c(=O)n(-c3ccccc3C)c2[O-])=NN1C(C)=O ZINC000101456787 557287091 /nfs/dbraw/zinc/28/70/91/557287091.db2.gz XPEYCKPOSXJPAQ-GOSISDBHSA-N -1 1 434.452 2.246 50 0 IEAAMM O=c1[nH]c(=O)n(-c2ccc(Cl)cc2)c([O-])c1C1=NN[C@@H](c2ccc3c(c2)OCO3)C1 ZINC000101762696 557297600 /nfs/dbraw/zinc/29/76/00/557297600.db2.gz ADNHUQNAOYHAEE-CYBMUJFWSA-N -1 1 426.816 2.052 50 0 IEAAMM COC(=O)C[C@H](c1cc2cccc3c2n(c1=O)CCC3)c1c([O-])nc2ccccn2c1=O ZINC000205950935 557389657 /nfs/dbraw/zinc/38/96/57/557389657.db2.gz MACCSCLLUOOBCK-MRXNPFEDSA-N -1 1 431.448 2.356 50 0 IEAAMM COC(=O)C[C@H](c1cc(OC)c(O)c(OC)c1)c1c([O-])nc2ccc(Cl)cn2c1=O ZINC000205956132 557389737 /nfs/dbraw/zinc/38/97/37/557389737.db2.gz GPTMMYCMSILETQ-GFCCVEGCSA-N -1 1 434.832 2.471 50 0 IEAAMM CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2c(F)cccc2S(=O)(=O)CC)cc1 ZINC000239667461 557845114 /nfs/dbraw/zinc/84/51/14/557845114.db2.gz BQFCMKXDKAWQDV-UHFFFAOYSA-N -1 1 435.520 2.214 50 0 IEAAMM O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc2n[n-]c(=S)n2c1 ZINC000241590468 557846695 /nfs/dbraw/zinc/84/66/95/557846695.db2.gz PFDIYNDAWKACHH-UHFFFAOYSA-N -1 1 431.543 2.123 50 0 IEAAMM Cc1ccc(S(=O)(=O)N2CCOCC2)cc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000009373290 562969728 /nfs/dbraw/zinc/96/97/28/562969728.db2.gz YZVMKPLUBCAVMF-UHFFFAOYSA-N -1 1 432.470 2.095 50 0 IEAAMM COc1ccc(Cc2[n-][nH]c(=O)c2[C@@H](CC(N)=O)c2ccc(OC)c(OC)c2OC)cc1 ZINC000263588854 568761208 /nfs/dbraw/zinc/76/12/08/568761208.db2.gz ZGDRQAMEHFIGIL-INIZCTEOSA-N -1 1 441.484 2.336 50 0 IEAAMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3CC(=O)N2CCOCC2)cc1 ZINC000085651849 568831683 /nfs/dbraw/zinc/83/16/83/568831683.db2.gz NDLTXBNXURBISW-UHFFFAOYSA-N -1 1 447.538 2.031 50 0 IEAAMM CCN1c2nc3ccccn3c(=O)c2C[C@]2(C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)[C@H]1C ZINC000245328190 568915093 /nfs/dbraw/zinc/91/50/93/568915093.db2.gz TWTCQJURLIHJPQ-QKFKETGDSA-N -1 1 437.500 2.067 50 0 IEAAMM CCOC(=O)[C@H]1CCCN(c2ncc(C(=O)[O-])cc2NS(=O)(=O)c2ccccc2)C1 ZINC000064843637 568971586 /nfs/dbraw/zinc/97/15/86/568971586.db2.gz FIYKKTOHOVDKBO-AWEZNQCLSA-N -1 1 433.486 2.360 50 0 IEAAMM CCc1nc(Cn2c3ccc(S(=O)(=O)[N-]c4ccc(OC)cc4)cc3oc2=O)no1 ZINC000064947130 568995230 /nfs/dbraw/zinc/99/52/30/568995230.db2.gz RVXYECHKFPWRPM-UHFFFAOYSA-N -1 1 430.442 2.398 50 0 IEAAMM CC(=O)N[C@@H](CC(=O)OCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1)c1cccs1 ZINC000037136567 569140304 /nfs/dbraw/zinc/14/03/04/569140304.db2.gz PJLYXCCTQVDHIM-AWEZNQCLSA-N -1 1 440.424 2.417 50 0 IEAAMM O=C(NCC(F)(F)CO)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000170597367 569142084 /nfs/dbraw/zinc/14/20/84/569142084.db2.gz CZOCAHCQYKLCAF-UHFFFAOYSA-N -1 1 442.440 2.006 50 0 IEAAMM Cc1ncc2c(c1O)[C@H](c1c(=O)[nH]c(=O)n(-c3ccc(Br)cc3)c1[O-])OC2 ZINC000002100876 569179720 /nfs/dbraw/zinc/17/97/20/569179720.db2.gz DHBOZPJBAVWPJE-OAHLLOKOSA-N -1 1 432.230 2.023 50 0 biogenic IEAAMM COCCn1cnc2ccc(NC(=O)Cc3c(C)c4ccc([O-])cc4oc3=O)cc2c1=O ZINC000253410696 569265771 /nfs/dbraw/zinc/26/57/71/569265771.db2.gz NPLREXQTVQHQGU-UHFFFAOYSA-N -1 1 435.436 2.345 50 0 biogenic IEAAMM C[C@@H](NC(=O)N1CCN(c2ccc(Cl)cc2)CC1)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000080337581 569362363 /nfs/dbraw/zinc/36/23/63/569362363.db2.gz JVVMZUCLBOKXHC-SNVBAGLBSA-N -1 1 445.833 2.336 50 0 IEAAMM Cc1cccc(C)c1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCC(=O)[O-])N[C@]21C(=O)Nc2ccccc21 ZINC000008789169 569475927 /nfs/dbraw/zinc/47/59/27/569475927.db2.gz ATACHTZILHULLQ-DOGKRZLPSA-N -1 1 433.464 2.093 50 0 biogenic IEAAMM Cc1cc(NC(=O)C(=O)N[C@H]2C[C@H](C)CC(C)(C)C2)n(-c2nc3c(c(=O)[n-]2)CCC3)n1 ZINC000009039832 569497433 /nfs/dbraw/zinc/49/74/33/569497433.db2.gz AIGHUDDSVIQSSC-JSGCOSHPSA-N -1 1 426.521 2.022 50 0 IEAAMM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000009116301 569502936 /nfs/dbraw/zinc/50/29/36/569502936.db2.gz CTWWWUGCNVAZIG-UHFFFAOYSA-N -1 1 449.554 2.399 50 0 IEAAMM O=S(=O)([N-]c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc2c(c1)OCCCO2 ZINC000009352275 569524866 /nfs/dbraw/zinc/52/48/66/569524866.db2.gz KMDZKUKCWYCGQJ-UHFFFAOYSA-N -1 1 438.527 2.433 50 0 IEAAMM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc(S(C)(=O)=O)nn3)c2)cc1OC ZINC000009572656 569547765 /nfs/dbraw/zinc/54/77/65/569547765.db2.gz WILCPBMSFKWFFX-UHFFFAOYSA-N -1 1 449.510 2.365 50 0 IEAAMM CCCc1cc(=O)[n-]c(S[C@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)n1 ZINC000009748277 569565892 /nfs/dbraw/zinc/56/58/92/569565892.db2.gz HRHXJZFHJAZBEY-CYBMUJFWSA-N -1 1 438.575 2.400 50 0 IEAAMM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)N(CC(=O)OC)C(=O)CS3)cc1 ZINC000009153231 132306982 /nfs/dbraw/zinc/30/69/82/132306982.db2.gz XOBMGMBFILSVHH-UHFFFAOYSA-N -1 1 436.511 2.498 50 0 IEAAMM Cc1ccc(N2CCN(S(=O)(=O)c3nnc([N-]C(=O)c4ccco4)s3)CC2)cc1 ZINC000009252331 132311153 /nfs/dbraw/zinc/31/11/53/132311153.db2.gz OJIBOASFFLVRRH-UHFFFAOYSA-N -1 1 433.515 2.203 50 0 IEAAMM COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c1OC ZINC000012526043 521935555 /nfs/dbraw/zinc/93/55/55/521935555.db2.gz UIXRHHMHZQEMEY-TZOMUSMUSA-N -1 1 448.453 2.322 50 0 IEAAMM COc1cc(C(=O)Nc2cc(C3CC3)nn2-c2nc(C)cc(=O)[n-]2)cc(OC)c1OC ZINC000012123194 522150663 /nfs/dbraw/zinc/15/06/63/522150663.db2.gz ZWTSUXZLOMHHKK-UHFFFAOYSA-N -1 1 425.445 2.420 50 0 IEAAMM CCc1[nH]c(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])c(C)c1C(=O)OC ZINC000021006368 523661827 /nfs/dbraw/zinc/66/18/27/523661827.db2.gz WIIOTIWTFLNICF-UHFFFAOYSA-N -1 1 435.502 2.415 50 0 IEAAMM COCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000021712761 523912129 /nfs/dbraw/zinc/91/21/29/523912129.db2.gz LWZILAAJWJJFRO-FQEVSTJZSA-N -1 1 445.541 2.163 50 0 IEAAMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCCCN3CCCC3=O)c2)cc1 ZINC000012526466 524695499 /nfs/dbraw/zinc/69/54/99/524695499.db2.gz GKRPBBCHEVUTPN-UHFFFAOYSA-N -1 1 431.514 2.238 50 0 IEAAMM Cc1ccc(N2C[C@H](C(=O)Nc3cc(C4CC4)nn3-c3nc(C)cc(=O)[n-]3)CC2=O)cc1 ZINC000012123697 524986166 /nfs/dbraw/zinc/98/61/66/524986166.db2.gz UMZMKKJUGQEYAT-MRXNPFEDSA-N -1 1 432.484 2.441 50 0 IEAAMM C[C@H](C(=O)Nc1nn2c([n-]1)nc(-c1ccccc1)cc2=O)N1C(=O)c2ccccc2C1=O ZINC000021171479 526172492 /nfs/dbraw/zinc/17/24/92/526172492.db2.gz PJLRHQLQOWQYPD-GFCCVEGCSA-N -1 1 428.408 2.120 50 0 IEAAMM O=C(c1cc(Br)ccc1[O-])N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000014120478 556371829 /nfs/dbraw/zinc/37/18/29/556371829.db2.gz HNIUTIRRAVEFAC-UHFFFAOYSA-N -1 1 443.294 2.441 50 0 IEAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc([C@]3(C)NC(=O)NC3=O)cc2)cc1OCC ZINC000032818931 556393824 /nfs/dbraw/zinc/39/38/24/556393824.db2.gz DXRFKLMTBUJKQH-FQEVSTJZSA-N -1 1 433.486 2.339 50 0 IEAAMM Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])cc2)n1 ZINC000013250533 556500771 /nfs/dbraw/zinc/50/07/71/556500771.db2.gz RQRFFPJXFOYGDK-IRXDYDNUSA-N -1 1 430.486 2.500 50 0 IEAAMM COCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(OC)c(OC)c3)cc2)CC1 ZINC000033274621 556558793 /nfs/dbraw/zinc/55/87/93/556558793.db2.gz HQIJWKGRTGYGLR-UHFFFAOYSA-N -1 1 434.514 2.299 50 0 IEAAMM O=C([O-])CC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]21 ZINC000016010022 556573716 /nfs/dbraw/zinc/57/37/16/556573716.db2.gz NDEPMJMOLUBQNR-PBWVOLNLSA-N -1 1 439.855 2.130 50 0 IEAAMM CSc1nc([O-])c(C(c2ccc(C)cc2)c2c(O)nc(SC)n(C)c2=O)c(=O)n1C ZINC000016213460 556591169 /nfs/dbraw/zinc/59/11/69/556591169.db2.gz QOVBSQJOBMHJFB-UHFFFAOYSA-N -1 1 446.554 2.218 50 0 IEAAMM O=C(c1cc(Br)ccc1[O-])N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000016495252 556612786 /nfs/dbraw/zinc/61/27/86/556612786.db2.gz YRGJLTQVQZRHPH-UHFFFAOYSA-N -1 1 431.333 2.363 50 0 IEAAMM O=C(Nc1cccc(OC(F)(F)F)c1)[C@H]1CC(=O)Nc2nc(N3CCCC3)[n-]c(=O)c21 ZINC000040283919 556634788 /nfs/dbraw/zinc/63/47/88/556634788.db2.gz BXOSMIUDJVPKSP-LBPRGKRZSA-N -1 1 437.378 2.333 50 0 IEAAMM COC(=O)[C@H](C)[C@H](NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)c1ccccc1 ZINC000072313092 556688377 /nfs/dbraw/zinc/68/83/77/556688377.db2.gz BTAKYGWFVMDNLA-PXAZEXFGSA-N -1 1 444.506 2.026 50 0 IEAAMM COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)N(Cc2noc(C)n2)C(=O)CO3)c1 ZINC000046145484 557043749 /nfs/dbraw/zinc/04/37/49/557043749.db2.gz KUPCYKBKSJBMQV-UHFFFAOYSA-N -1 1 430.442 2.113 50 0 IEAAMM COC(=O)C[C@H](c1ccc(OCCn2cccn2)cc1)c1c([O-])nc2ccccn2c1=O ZINC000205972440 557072852 /nfs/dbraw/zinc/07/28/52/557072852.db2.gz BGOOEMWPHDEDOQ-GOSISDBHSA-N -1 1 434.452 2.371 50 0 IEAAMM O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc2ccccc2cc1[O-] ZINC000018151463 557243471 /nfs/dbraw/zinc/24/34/71/557243471.db2.gz ICQRERIDQAKIEO-UHFFFAOYSA-N -1 1 426.494 2.496 50 0 IEAAMM COc1ccc([C@@H]2CC(c3c(=O)[nH]c(=O)n(-c4ccc(Cl)cc4)c3[O-])=NN2)cc1OC ZINC000101762620 557297125 /nfs/dbraw/zinc/29/71/25/557297125.db2.gz ZKFXZFPGJITGBE-AWEZNQCLSA-N -1 1 442.859 2.341 50 0 IEAAMM O=c1[nH]c(=O)n(-c2ccc(Cl)cc2)c([O-])c1C1=NN[C@H](c2ccc3c(c2)OCO3)C1 ZINC000101762693 557297563 /nfs/dbraw/zinc/29/75/63/557297563.db2.gz ADNHUQNAOYHAEE-ZDUSSCGKSA-N -1 1 426.816 2.052 50 0 IEAAMM COc1ccc(OC)c([C@H]2CC(c3c(=O)[nH]c(=O)n(-c4cccc(Cl)c4)c3[O-])=NN2)c1 ZINC000101763095 557297578 /nfs/dbraw/zinc/29/75/78/557297578.db2.gz GHLCFEDGRJLZQN-OAHLLOKOSA-N -1 1 442.859 2.341 50 0 IEAAMM COC(=O)C[C@@H](c1cc(OC)c(O)c(OC)c1)c1c([O-])nc2ccc(Cl)cn2c1=O ZINC000205956139 557389868 /nfs/dbraw/zinc/38/98/68/557389868.db2.gz GPTMMYCMSILETQ-LBPRGKRZSA-N -1 1 434.832 2.471 50 0 IEAAMM Cn1c2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)c(N3CCCC3)cc2n(C)c(=O)c1=O ZINC000009686039 562975619 /nfs/dbraw/zinc/97/56/19/562975619.db2.gz WSHJYLWQTLSHCB-UHFFFAOYSA-N -1 1 448.932 2.292 50 0 IEAAMM Nc1nc(SCC(=O)NCc2ccccc2)[n-]c(=O)c1NC(=O)c1ccccc1F ZINC000015973818 563020578 /nfs/dbraw/zinc/02/05/78/563020578.db2.gz AYTWMNHMZOPPFD-UHFFFAOYSA-N -1 1 427.461 2.152 50 0 IEAAMM COC(=O)[C@]([N-]C(=O)C(F)(F)F)(c1c(C)[nH]n(-c2ccccc2)c1=O)C(F)(F)F ZINC000003624392 568751692 /nfs/dbraw/zinc/75/16/92/568751692.db2.gz UNWIXEPUHYXZDT-CQSZACIVSA-N -1 1 425.285 2.083 50 0 IEAAMM COc1ccc(Cc2[n-][nH]c(=O)c2[C@H](CC(N)=O)c2cc(OC)c(OC)cc2OC)cc1 ZINC000263588894 568761266 /nfs/dbraw/zinc/76/12/66/568761266.db2.gz ZOKVOABTENDPMN-MRXNPFEDSA-N -1 1 441.484 2.336 50 0 IEAAMM CCc1c(C)nc(-n2nc(C)cc2NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)[n-]c1=O ZINC000015729546 568813726 /nfs/dbraw/zinc/81/37/26/568813726.db2.gz SDNSBCVQSXCYQY-MRXNPFEDSA-N -1 1 434.500 2.435 50 0 IEAAMM CCOC(=O)c1c(C)n(S(=O)(=O)CC)c2cc(OC)c([N-]S(=O)(=O)CC)cc21 ZINC000006142925 568845581 /nfs/dbraw/zinc/84/55/81/568845581.db2.gz RZXDUUHBTJCMLB-UHFFFAOYSA-N -1 1 432.520 2.094 50 0 IEAAMM Cc1ccc(S(=O)(=O)N2CCC([N-]S(=O)(=O)c3cc(F)ccc3F)CC2)cc1 ZINC000012944359 568870619 /nfs/dbraw/zinc/87/06/19/568870619.db2.gz ZHIMTJKNVMZOFB-UHFFFAOYSA-N -1 1 430.498 2.405 50 0 IEAAMM COc1ccc(S(=O)(=O)N2CCC([N-]S(=O)(=O)c3cc(F)ccc3F)CC2)cc1 ZINC000012947174 568871305 /nfs/dbraw/zinc/87/13/05/568871305.db2.gz ZUKFKTMGOXJKHK-UHFFFAOYSA-N -1 1 446.497 2.105 50 0 IEAAMM CCN(CC)S(=O)(=O)c1ccc2[n-]cc(C(=O)NCc3ccc(OC)cc3)c(=O)c2c1 ZINC000006296565 568882351 /nfs/dbraw/zinc/88/23/51/568882351.db2.gz ANOMZVRKDBEBIQ-UHFFFAOYSA-N -1 1 443.525 2.497 50 0 IEAAMM COc1cc2c(cc1OC)[C@H](c1c(=O)[nH]c(=O)n(-c3ccccc3Cl)c1[O-])NCC2 ZINC000002137153 569185332 /nfs/dbraw/zinc/18/53/32/569185332.db2.gz ZSWVUCXEKNTKLS-GOSISDBHSA-N -1 1 429.860 2.137 50 0 biogenic IEAAMM O=C(COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)NC[C@@H]1CCCO1 ZINC000013072329 569309035 /nfs/dbraw/zinc/30/90/35/569309035.db2.gz AGGZPFIWHVLANE-KRWDZBQOSA-N -1 1 436.461 2.079 50 0 IEAAMM CS(=O)(=O)N1CCc2cc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3Cl)ccc21 ZINC000019819409 569329952 /nfs/dbraw/zinc/32/99/52/569329952.db2.gz JIKSMLNCAXTMHZ-UHFFFAOYSA-N -1 1 430.891 2.161 50 0 IEAAMM NC(=O)OCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC000095464828 569370522 /nfs/dbraw/zinc/37/05/22/569370522.db2.gz LTFJKKQCGAROPM-UHFFFAOYSA-N -1 1 442.291 2.075 50 0 IEAAMM O=S(=O)(N[C@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3)c1ccc(F)cc1Cl ZINC000670439691 569447879 /nfs/dbraw/zinc/44/78/79/569447879.db2.gz CDBUJWIMEAIWJF-YFYMUDDPSA-N -1 1 435.952 2.325 50 0 IEAAMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000040122816 569489668 /nfs/dbraw/zinc/48/96/68/569489668.db2.gz WXMOKAOTHPJUTG-UHFFFAOYSA-N -1 1 445.523 2.238 50 0 IEAAMM Cc1cccc(OCCNC(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3[O-])CC2)c1 ZINC000040155896 569494063 /nfs/dbraw/zinc/49/40/63/569494063.db2.gz YTWATGDWKCHBLG-UHFFFAOYSA-N -1 1 433.530 2.104 50 0 IEAAMM Cc1cc(NC(=O)C(=O)NCCc2c[nH]c3ccccc23)n(-c2nc(C)c(C)c(=O)[n-]2)n1 ZINC000009038945 569497453 /nfs/dbraw/zinc/49/74/53/569497453.db2.gz ISVLYHPGLCUOMN-UHFFFAOYSA-N -1 1 433.472 2.072 50 0 IEAAMM CN(C(=O)COc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1)[C@H]1CCS(=O)(=O)C1 ZINC000009435367 569534830 /nfs/dbraw/zinc/53/48/30/569534830.db2.gz FNXYYDFORQUDEQ-HNNXBMFYSA-N -1 1 443.477 2.190 50 0 biogenic IEAAMM CN(C(=O)COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1)[C@H]1CCS(=O)(=O)C1 ZINC000009435367 569534831 /nfs/dbraw/zinc/53/48/31/569534831.db2.gz FNXYYDFORQUDEQ-HNNXBMFYSA-N -1 1 443.477 2.190 50 0 biogenic IEAAMM COc1ccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1S(N)(=O)=O ZINC000009493506 569540764 /nfs/dbraw/zinc/54/07/64/569540764.db2.gz SHSDFLOCQPBZMB-UHFFFAOYSA-N -1 1 426.394 2.042 50 0 IEAAMM Nc1nc(SCC(=O)NCCc2ccccc2)[n-]c(=O)c1NC(=O)c1ccc(F)cc1 ZINC000009518065 569543839 /nfs/dbraw/zinc/54/38/39/569543839.db2.gz QKHLGJPVHDVVEK-UHFFFAOYSA-N -1 1 441.488 2.195 50 0 IEAAMM Nc1nc(SCC(=O)N2CCc3ccccc32)[n-]c(=O)c1NC(=O)c1ccc(F)cc1 ZINC000009518046 569543886 /nfs/dbraw/zinc/54/38/86/569543886.db2.gz MOTIMPPUIGTAGL-UHFFFAOYSA-N -1 1 439.472 2.425 50 0 IEAAMM CCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)n1 ZINC000009660358 569556769 /nfs/dbraw/zinc/55/67/69/569556769.db2.gz GLKMEMRJJPJBHV-ZDUSSCGKSA-N -1 1 440.891 2.471 50 0 IEAAMM CSc1nc(COC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc(=O)[n-]1 ZINC000009778001 569567169 /nfs/dbraw/zinc/56/71/69/569567169.db2.gz IROHOQNLWVAARI-UHFFFAOYSA-N -1 1 437.543 2.414 50 0 IEAAMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)NCC(F)(F)F)cc2)cc1 ZINC000077200943 569586559 /nfs/dbraw/zinc/58/65/59/569586559.db2.gz HYEAZZFZJAUOOL-UHFFFAOYSA-N -1 1 430.404 2.495 50 0 IEAAMM