smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1 ZINC000005098847 204111254 /nfs/dbraw/zinc/11/12/54/204111254.db2.gz LHNBXBXICXAZPR-IBGZPJMESA-N 0 1 377.510 2.342 50 10 GECAMN Cc1ccccc1C[NH+]1CCN(CC(=O)NCc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000008748074 204288188 /nfs/dbraw/zinc/28/81/88/204288188.db2.gz GUUHDHJTAMWWML-UHFFFAOYSA-N 0 1 398.463 2.043 50 10 GECAMN CN(C)c1ccc(CNC(=O)NCc2ccccc2CN2CCN(C)CC2)cc1 ZINC000032937686 570953160 /nfs/dbraw/zinc/95/31/60/570953160.db2.gz RLACTBBAGGUPFV-UHFFFAOYSA-N 0 1 395.551 2.499 50 10 GECAMN CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1ccc(S(=O)(=O)CCO)cc1 ZINC000005647232 204145133 /nfs/dbraw/zinc/14/51/33/204145133.db2.gz XIHYFPVCVBJPKE-CPNJWEJPSA-N 0 1 399.472 2.480 50 10 GECAMN Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccc(S(=O)(=O)CCO)cc1 ZINC000005647232 204145136 /nfs/dbraw/zinc/14/51/36/204145136.db2.gz XIHYFPVCVBJPKE-CPNJWEJPSA-N 0 1 399.472 2.480 50 10 GECAMN CCc1nc2nc(C)cc(NCCN3CCN(c4ccc(OC)cc4)CC3)n2n1 ZINC000006786404 204206169 /nfs/dbraw/zinc/20/61/69/204206169.db2.gz AHXITOYAQPKUDW-UHFFFAOYSA-N 0 1 395.511 2.238 50 10 GECAMN CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1ccc(S(=O)(=O)CCO)cc1 ZINC000100503209 570272724 /nfs/dbraw/zinc/27/27/24/570272724.db2.gz XIHYFPVCVBJPKE-UYRXBGFRSA-N 0 1 399.472 2.480 50 10 GECAMN Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccc(S(=O)(=O)CCO)cc1 ZINC000100503209 570272725 /nfs/dbraw/zinc/27/27/25/570272725.db2.gz XIHYFPVCVBJPKE-UYRXBGFRSA-N 0 1 399.472 2.480 50 10 GECAMN CCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)NC3=O)c2C)cc1 ZINC000013570813 570759373 /nfs/dbraw/zinc/75/93/73/570759373.db2.gz BRODSSWJIXKZBX-UHFFFAOYSA-N 0 1 381.388 2.020 50 10 GECAMN CC1(C)C[C@H](O)C[C@@](C)(CNC=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)C1 ZINC000103718223 570888082 /nfs/dbraw/zinc/88/80/82/570888082.db2.gz YCMLVPUESZZWHL-IJVRYNLRSA-N 0 1 399.491 2.316 50 10 GECAMN CC1(C)C[C@H](O)C[C@](C)(CNC=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)C1 ZINC000105443098 570924577 /nfs/dbraw/zinc/92/45/77/570924577.db2.gz YCMLVPUESZZWHL-LLOFDIIJSA-N 0 1 399.491 2.316 50 10 GECAMN O=C(Oc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1Cl)c1ccccc1F ZINC000001118719 206212401 /nfs/dbraw/zinc/21/24/01/206212401.db2.gz PXWFVZUXWKYOKJ-UHFFFAOYSA-N 0 1 388.738 2.448 50 10 GECAMN Cc1cccc(N2C(=O)C(=CNCc3ccc4c(c3)OCO4)C(=O)NC2=S)c1 ZINC000101032598 136189408 /nfs/dbraw/zinc/18/94/08/136189408.db2.gz YGTGUWUWPFQPJL-XNTDXEJSSA-N 0 1 395.440 2.145 50 10 GECAMN CN(C)c1ccc([C@@H](CNC(=O)C(=O)NC2CCCCC2)N2CCCC2)cc1 ZINC000010188276 522241450 /nfs/dbraw/zinc/24/14/50/522241450.db2.gz IRXJUAUQQCKKNM-HXUWFJFHSA-N 0 1 386.540 2.455 50 10 GECAMN COc1ccc(N2C(=O)/C(=C\c3ccc(O)c(OC)c3)C(=O)NC2=S)cc1 ZINC000004860522 536659554 /nfs/dbraw/zinc/65/95/54/536659554.db2.gz KAKSQOWODGWUCM-ZROIWOOFSA-N 0 1 384.413 2.241 50 10 GECAMN CCOc1cc(C=C2C(=O)N(CC)C(=S)N(CC)C2=O)cc([N+](=O)[O-])c1O ZINC000096237069 570221761 /nfs/dbraw/zinc/22/17/61/570221761.db2.gz XECMKHRMRWCMDP-UHFFFAOYSA-N 0 1 393.421 2.078 50 10 GECAMN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=CNCCc1c[nH]c2ccccc12 ZINC000100998245 570280268 /nfs/dbraw/zinc/28/02/68/570280268.db2.gz DXAOTFVKLUWVIF-WJDWOHSUSA-N 0 1 378.388 2.056 50 10 GECAMN CC(=O)Nc1ccc(NC=C2C(=O)NC(=O)N(CCc3ccccc3)C2=O)cc1 ZINC000004834412 570309603 /nfs/dbraw/zinc/30/96/03/570309603.db2.gz PUBQRFATGGQQGW-QGOAFFKASA-N 0 1 392.415 2.262 50 10 GECAMN COc1ccc(N2C(=O)C(=CNc3cccc(OC)c3)C(=O)NC2=S)cc1 ZINC000103844602 570889382 /nfs/dbraw/zinc/88/93/82/570889382.db2.gz WAHXELJEHGODEE-LFIBNONCSA-N 0 1 383.429 2.448 50 10 GECAMN COc1ccc(CN2C(=O)NC(=O)/C(=C/c3ccc([N+](=O)[O-])s3)C2=O)cc1 ZINC000004806503 570996817 /nfs/dbraw/zinc/99/68/17/570996817.db2.gz WTRNVEKJBPADMF-JYRVWZFOSA-N 0 1 387.373 2.327 50 10 GECAMN O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(O)=C1SC(=S)NC1=O ZINC000138039042 532290829 /nfs/dbraw/zinc/29/08/29/532290829.db2.gz PGTCGZXNHREYSE-QMMMGPOBSA-N 0 1 382.772 2.383 50 10 GECAMN Cc1ccc(N2NC(=O)/C(=C/c3ccc4c(c3)n(C)c(=O)n4C)C2=O)cc1Cl ZINC000004498106 204048670 /nfs/dbraw/zinc/04/86/70/204048670.db2.gz LZXVMDGCVGUYBH-ZSOIEALJSA-N 0 1 396.834 2.300 50 10 GECAMN COc1ccc(S(=O)(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1F ZINC000067604699 205250543 /nfs/dbraw/zinc/25/05/43/205250543.db2.gz YQKKCEGOZMKGBJ-UHFFFAOYSA-N 0 1 393.484 2.065 50 10 GECAMN COc1cccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])s3)C(=O)NC2=S)c1 ZINC000004815293 136193988 /nfs/dbraw/zinc/19/39/88/136193988.db2.gz WWMYVOKFZNTQFE-WQLSENKSSA-N 0 1 389.414 2.496 50 10 GECAMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc2c(c1)OCCO2 ZINC000000658381 570285569 /nfs/dbraw/zinc/28/55/69/570285569.db2.gz HHLLOWQVGBNJEL-NTEUORMPSA-N 0 1 384.388 2.428 50 10 GECAMN COc1ccc2ccc(O)c(CN3CCN(C(=O)N4CCOCC4)CC3)c2c1 ZINC000012914223 570292011 /nfs/dbraw/zinc/29/20/11/570292011.db2.gz RRHSSLRXSOUTPP-UHFFFAOYSA-N 0 1 385.464 2.124 50 10 GECAMN CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCc2ccccc2)N2CCCC2)cc1 ZINC000005340595 570557766 /nfs/dbraw/zinc/55/77/66/570557766.db2.gz QIKQQOUXDRLBRA-OAQYLSRUSA-N 0 1 394.519 2.322 50 10 GECAMN COc1cc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc(OC)c1OC ZINC000049740635 570665202 /nfs/dbraw/zinc/66/52/02/570665202.db2.gz PMJWKXWXTHYOGL-UHFFFAOYSA-N 0 1 399.491 2.394 50 10 GECAMN CCOC(=O)c1ccc(N2NC(=O)/C(=C/c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000005009682 204102033 /nfs/dbraw/zinc/10/20/33/204102033.db2.gz XGSDHFIXNRHXIG-DHDCSXOGSA-N 0 1 380.356 2.053 50 10 GECAMN CC(C)NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCCCC1 ZINC000009138429 204299543 /nfs/dbraw/zinc/29/95/43/204299543.db2.gz QTNVEBOVNRIAQB-FQEVSTJZSA-N 0 1 386.540 2.237 50 10 GECAMN COc1ccccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCN(C)CC1 ZINC000022589236 204784074 /nfs/dbraw/zinc/78/40/74/204784074.db2.gz HBPZREQOMIJHMA-OAQYLSRUSA-N 0 1 396.535 2.480 50 10 GECAMN CC1=NN(c2nn[nH]n2)C(=O)C1=Cc1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000012462455 204844750 /nfs/dbraw/zinc/84/47/50/204844750.db2.gz NRMZMASPFDODEZ-ZSOIEALJSA-N 0 1 379.336 2.482 50 10 GECAMN COc1ccc(N2CCN([C@@H]3CCCN(C(=O)C4(O)CCCC4)C3)CC2)cc1 ZINC000072171344 136167476 /nfs/dbraw/zinc/16/74/76/136167476.db2.gz XCFZUSHKCRXBLT-LJQANCHMSA-N 0 1 387.524 2.113 50 10 GECAMN O=c1cc(CN2CCN(Cc3cc4c(cc3O)CCC4)CC2)nc2sccn21 ZINC000022790117 570327889 /nfs/dbraw/zinc/32/78/89/570327889.db2.gz QZQFKMMKYOMZRA-UHFFFAOYSA-N 0 1 396.516 2.268 50 10 GECAMN COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCCOc1ccc(C)cc1 ZINC000002987484 570524886 /nfs/dbraw/zinc/52/48/86/570524886.db2.gz UAHZJFBZMDAEJO-UHFFFAOYSA-N 0 1 396.399 2.211 50 10 GECAMN COc1ccc(S(=O)(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1C ZINC000049740697 570665131 /nfs/dbraw/zinc/66/51/31/570665131.db2.gz MBVKNRHNVYUHAW-UHFFFAOYSA-N 0 1 389.521 2.234 50 10 GECAMN NC(=O)Cn1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc21 ZINC000013535783 570756889 /nfs/dbraw/zinc/75/68/89/570756889.db2.gz QEJOYKDXTCIRHC-OVCLIPMQSA-N 0 1 392.371 2.222 50 10 GECAMN COc1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1F ZINC000005098856 204111456 /nfs/dbraw/zinc/11/14/56/204111456.db2.gz ICGWEMWMXLVONO-SFHVURJKSA-N 0 1 395.500 2.482 50 10 GECAMN COc1ccc(N2CCN(C(=O)c3cc(-c4c(C)nn(C)c4C)[nH]n3)CC2)cc1 ZINC000095476832 136179538 /nfs/dbraw/zinc/17/95/38/136179538.db2.gz ZUEHSSDIHXXFAB-UHFFFAOYSA-N 0 1 394.479 2.398 50 10 GECAMN COc1cccc(CN2CCN(Cc3cccc(OC)c3O)C[C@@H]2CCO)c1 ZINC000019839953 570224043 /nfs/dbraw/zinc/22/40/43/570224043.db2.gz RJJSBCMKOWOYIK-IBGZPJMESA-N 0 1 386.492 2.478 50 10 GECAMN CCOC(=O)c1ccc(NC=C2C(=O)NC(=O)N(Cc3cccs3)C2=O)cc1 ZINC000003003949 570325793 /nfs/dbraw/zinc/32/57/93/570325793.db2.gz WWZWEHNOYFRDLT-GDNBJRDFSA-N 0 1 399.428 2.499 50 10 GECAMN CC1(C)C[C@@H](O)C[C@@](C)(CNC=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)C1 ZINC000006394399 570403860 /nfs/dbraw/zinc/40/38/60/570403860.db2.gz YCMLVPUESZZWHL-GXQWKOOFSA-N 0 1 399.491 2.316 50 10 GECAMN COc1ccc(N2CCN([C@H]3CCCN(C(=O)C=Cc4c[nH]cn4)C3)CC2)cc1 ZINC000053654591 570675495 /nfs/dbraw/zinc/67/54/95/570675495.db2.gz KZICCXRTLBNJHV-ZTJJKMQJSA-N 0 1 395.507 2.245 50 10 GECAMN Cc1ccc(N2C(=O)C(=CNCc3ccc4c(c3)OCO4)C(=O)NC2=S)cc1 ZINC000101037407 136196105 /nfs/dbraw/zinc/19/61/05/136196105.db2.gz YSNJJEMLIAIXSX-XNTDXEJSSA-N 0 1 395.440 2.145 50 10 GECAMN CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OC(=O)c1ccc(C)cc1 ZINC000001178209 570790459 /nfs/dbraw/zinc/79/04/59/570790459.db2.gz SFMDADWLBKZFFY-UHFFFAOYSA-N 0 1 394.383 2.362 50 10 GECAMN COc1ccc(N2CCN(CCCNC(=O)[C@H]3Cc4ccccc4O3)CC2)cc1 ZINC000032764309 570801542 /nfs/dbraw/zinc/80/15/42/570801542.db2.gz MBOITBGGPHMXAE-JOCHJYFZSA-N 0 1 395.503 2.327 50 10 GECAMN CCOC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)cc1 ZINC000015013936 570871695 /nfs/dbraw/zinc/87/16/95/570871695.db2.gz MLZJHUBNRVZBFL-WJDWOHSUSA-N 0 1 386.404 2.033 50 10 GECAMN CC(C)CCNC(=O)c1coc(CN2CCN(Cc3ccccc3O)CC2)n1 ZINC000034678259 570294416 /nfs/dbraw/zinc/29/44/16/570294416.db2.gz MSTWVILITBFZAF-UHFFFAOYSA-N 0 1 386.496 2.474 50 10 GECAMN O=C1NC(=O)N(C2CCCCC2)C(=O)C1=CNc1ccc(N2CCOCC2)cc1 ZINC000006615232 570484740 /nfs/dbraw/zinc/48/47/40/570484740.db2.gz NPUQUPLEKZQTRR-NBVRZTHBSA-N 0 1 398.463 2.230 50 10 GECAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(/N=N/N3CCOCC3)cc2)n1 ZINC000000866356 570676754 /nfs/dbraw/zinc/67/67/54/570676754.db2.gz QQVSZYDNTLGIGT-XUTLUUPISA-N 0 1 376.442 2.225 50 10 GECAMN COc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1 ZINC000001197336 570792865 /nfs/dbraw/zinc/79/28/65/570792865.db2.gz OCNZJRDFTZAXJQ-LDADJPATSA-N 0 1 379.416 2.423 50 10 GECAMN COc1ccc(N2CCN(CCCNC(=O)c3cc(OC)ccc3O)CC2)cc1 ZINC000032903936 570902861 /nfs/dbraw/zinc/90/28/61/570902861.db2.gz RGKJWHFXZZMHPD-UHFFFAOYSA-N 0 1 399.491 2.352 50 10 GECAMN O=C1NC(=O)N(Cc2ccccc2)C(=O)C1=CNCCc1c[nH]c2ccccc12 ZINC000020028334 207174234 /nfs/dbraw/zinc/17/42/34/207174234.db2.gz ZVDCYPHEMIDPGB-AQTBWJFISA-N 0 1 388.427 2.463 50 10 GECAMN COc1cccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)c1 ZINC000022589242 207256074 /nfs/dbraw/zinc/25/60/74/207256074.db2.gz KZBWWZVBOCASLB-QFIPXVFZSA-N 0 1 396.535 2.480 50 10 GECAMN COc1ccc(N2CCN(CCCNC(=O)[C@@H]3Cc4ccccc4O3)CC2)cc1 ZINC000032764308 570801525 /nfs/dbraw/zinc/80/15/25/570801525.db2.gz MBOITBGGPHMXAE-QFIPXVFZSA-N 0 1 395.503 2.327 50 10 GECAMN COC(=O)c1cccc(NC=C2C(=O)NC(=O)N(Cc3ccc(F)cc3)C2=O)c1 ZINC000005981647 570811738 /nfs/dbraw/zinc/81/17/38/570811738.db2.gz TUKGHZJZSMABSD-MHWRWJLKSA-N 0 1 397.362 2.187 50 10 GECAMN CCN1C(=O)NC(=O)/C(=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)C1=O ZINC000004676262 570822518 /nfs/dbraw/zinc/82/25/18/570822518.db2.gz DBCKBEFWSBMTEB-YBEGLDIGSA-N 0 1 382.376 2.484 50 10 GECAMN CC(=O)Nc1ccc(NC=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000018203994 207095518 /nfs/dbraw/zinc/09/55/18/207095518.db2.gz ULBCFZRRYJXTOY-GZTJUZNOSA-N 0 1 378.388 2.219 50 10 GECAMN CN1CCCc2cc([C@@H](CNC(=O)C(=O)NC3CCCC3)N3CCCC3)ccc21 ZINC000009135486 221071746 /nfs/dbraw/zinc/07/17/46/221071746.db2.gz IRYOSVIGUBXFMN-OAQYLSRUSA-N 0 1 398.551 2.381 50 10 GECAMN CN(C)c1ccc([C@H](CNC(=O)C(=O)NC2CCCCC2)N2CCCC2)cc1 ZINC000010188277 522248336 /nfs/dbraw/zinc/24/83/36/522248336.db2.gz IRXJUAUQQCKKNM-FQEVSTJZSA-N 0 1 386.540 2.455 50 10 GECAMN COc1ccc(N2C(=O)C(=CNc3cccc(OC)c3)C(=O)NC2=S)cc1 ZINC000013590622 536657304 /nfs/dbraw/zinc/65/73/04/536657304.db2.gz WAHXELJEHGODEE-WJDWOHSUSA-N 0 1 383.429 2.448 50 10 GECAMN COc1ccc(F)cc1S(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000005098858 570416203 /nfs/dbraw/zinc/41/62/03/570416203.db2.gz QKWCMAIVBXBORH-KRWDZBQOSA-N 0 1 395.500 2.482 50 10 GECAMN CC(C)N(Cc1ccco1)N/C=C1\C(=O)NC(=O)N(Cc2ccccc2)C1=O ZINC000005164968 570476278 /nfs/dbraw/zinc/47/62/78/570476278.db2.gz HCCZXQGRXXGFJQ-GZTJUZNOSA-N 0 1 382.420 2.157 50 10 GECAMN COC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(C)C3=O)c2C)c(C)c1 ZINC000013893103 207005130 /nfs/dbraw/zinc/00/51/30/207005130.db2.gz JDVLZTDNDAHTBN-YBEGLDIGSA-N 0 1 395.415 2.281 50 10 GECAMN O=C(Cn1cc(C=C2C(=O)NC(=O)NC2=O)c2ccccc21)NCc1ccco1 ZINC000018181721 207093953 /nfs/dbraw/zinc/09/39/53/207093953.db2.gz CIWAJXCATCIISX-UHFFFAOYSA-N 0 1 392.371 2.140 50 10 GECAMN COc1ccc(NC=C2C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000103844521 570889485 /nfs/dbraw/zinc/88/94/85/570889485.db2.gz IEYSCFSSKQSULR-LFIBNONCSA-N 0 1 383.429 2.448 50 10 GECAMN COc1ccc2c(c1)C[C@@]1(CN2C)C(=O)NC(=O)N(c2ccc(C)cc2)C1=O ZINC000009245096 206312571 /nfs/dbraw/zinc/31/25/71/206312571.db2.gz DDAKOTHPMXHPST-OAQYLSRUSA-N 0 1 379.416 2.265 50 10 GECAMN COc1cccc(N2C(=O)/C(=C/c3ccc(OC)c(O)c3)C(=O)NC2=S)c1 ZINC000001197559 206366984 /nfs/dbraw/zinc/36/69/84/206366984.db2.gz VGABICFKNTVWTA-RIYZIHGNSA-N 0 1 384.413 2.241 50 10 GECAMN O=C(Oc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1)c1ccccc1[N+](=O)[O-] ZINC000001233129 206369379 /nfs/dbraw/zinc/36/93/79/206369379.db2.gz CSFKYQLOKWGOPW-UHFFFAOYSA-N 0 1 381.300 2.404 50 10 GECAMN Cc1cc2sc(=NC=C3C(=O)NC(=O)NC3=O)[nH]c2c(Br)c1 ZINC000013999613 207007313 /nfs/dbraw/zinc/00/73/13/207007313.db2.gz YHEHBJDJJBURGY-UHFFFAOYSA-N 0 1 381.211 2.029 50 10 GECAMN O=C1NC(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C(=O)N1 ZINC000002903580 570317743 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O=S(=O)(NC1CCN(Cc2cc3c(cc2O)OCO3)CC1)c1cccs1 ZINC000027534859 570435513 /nfs/dbraw/zinc/43/55/13/570435513.db2.gz SZTCFLALCBSDAS-UHFFFAOYSA-N 0 1 396.490 2.125 50 10 GECAMN CN(C)c1ccc([C@H]2CC(c3c([O-])[nH]c(=O)n(C4CCCCC4)c3=O)=NN2)cc1 ZINC000101762117 570832521 /nfs/dbraw/zinc/83/25/21/570832521.db2.gz YPIAQCQJNNGBNN-MRXNPFEDSA-N 0 1 397.479 2.252 50 10 GECAMN CCOc1cc(/C=C2/C(=O)NN(c3ccc(C(=O)OC)cc3)C2=O)ccc1O ZINC000016688766 221367492 /nfs/dbraw/zinc/36/74/92/221367492.db2.gz RLQJOYQHDLWGOD-GDNBJRDFSA-N 0 1 382.372 2.039 50 10 GECAMN COc1ccc(N2CCN([C@@H]3CCCN(C(=O)C=Cc4c[nH]cn4)C3)CC2)cc1 ZINC000053654588 570675371 /nfs/dbraw/zinc/67/53/71/570675371.db2.gz KZICCXRTLBNJHV-CWFIWJMMSA-N 0 1 395.507 2.245 50 10 GECAMN CN(C)c1ccc([C@@H]2CC(c3c([O-])[nH]c(=O)n(C4CCCCC4)c3=O)=NN2)cc1 ZINC000101762110 570832938 /nfs/dbraw/zinc/83/29/38/570832938.db2.gz YPIAQCQJNNGBNN-INIZCTEOSA-N 0 1 397.479 2.252 50 10 GECAMN CC1(C)C[C@H](O)C[C@@](C)(CNC=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)C1 ZINC000006394365 570403888 /nfs/dbraw/zinc/40/38/88/570403888.db2.gz YCMLVPUESZZWHL-JWBCGAGPSA-N 0 1 399.491 2.316 50 10 GECAMN COc1ccc(F)cc1S(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000005098857 570416102 /nfs/dbraw/zinc/41/61/02/570416102.db2.gz QKWCMAIVBXBORH-QGZVFWFLSA-N 0 1 395.500 2.482 50 10 GECAMN CC(=O)Nc1ccc(NC=C2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1 ZINC000004812288 570999280 /nfs/dbraw/zinc/99/92/80/570999280.db2.gz ZPEQLQFAMWZOJF-LFIBNONCSA-N 0 1 380.429 2.389 50 10 GECAMN