smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)COc2c(NCc3ccccc3)ccc(C(=O)c3ccccc3)c2N1 ZINC000000602366 206815124 /nfs/dbraw/zinc/81/51/24/206815124.db2.gz RGCOJZHFUCHUBV-UHFFFAOYSA-N 0 0 372.468 5.113 1 10 FKCFRN O=[N+]([O-])c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3[C@H](c1ccccc1)[C@@H]1CC=C[C@H]21 ZINC000004131695 136151768 /nfs/dbraw/zinc/15/17/68/136151768.db2.gz NZIKPNVRKKMIOU-PTGRRLNYSA-N 0 0 370.452 5.489 1 10 FKCFRN O=[N+]([O-])c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3[C@@H](c1ccccc1)[C@@H]1CC=C[C@H]21 ZINC000004131698 136151750 /nfs/dbraw/zinc/15/17/50/136151750.db2.gz NZIKPNVRKKMIOU-SIHNRPMKSA-N 0 0 370.452 5.489 1 10 FKCFRN O=[N+]([O-])c1cc2c3c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N3C[C@H]1CC=C[C@H]21 ZINC000004131700 136151752 /nfs/dbraw/zinc/15/17/52/136151752.db2.gz NZIKPNVRKKMIOU-BYWRUVHUSA-N 0 0 370.452 5.489 1 10 FKCFRN O=[N+]([O-])c1cc2c3c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1)N3C[C@H]1CC=C[C@H]21 ZINC000004131703 136151771 /nfs/dbraw/zinc/15/17/71/136151771.db2.gz NZIKPNVRKKMIOU-KNCYDQBVSA-N 0 0 370.452 5.489 1 10 FKCFRN Oc1c(C2=NN[C@H](c3ccc(Cl)cc3Cl)C2)ccc2ccccc21 ZINC000004169976 204124578 /nfs/dbraw/zinc/12/45/78/204124578.db2.gz PNJUUUNRFPGTPO-KRWDZBQOSA-N 0 0 357.240 5.291 1 10 FKCFRN Oc1c(C2=NN[C@@H](c3ccc(Cl)cc3Cl)C2)ccc2ccccc21 ZINC000004169982 210512548 /nfs/dbraw/zinc/51/25/48/210512548.db2.gz PNJUUUNRFPGTPO-QGZVFWFLSA-N 0 0 357.240 5.291 1 10 FKCFRN CCSc1nn(-c2c3ccccc3nc3ccccc32)c(=S)s1 ZINC000005580960 204215465 /nfs/dbraw/zinc/21/54/65/204215465.db2.gz WOELHTGKZYFIQW-UHFFFAOYSA-N 0 0 355.513 5.477 1 10 FKCFRN CC(C)(C)c1cc(C2=NN[C@@H](c3ccccc3)C2)cc(C(C)(C)C)c1O ZINC000005950613 204232428 /nfs/dbraw/zinc/23/24/28/204232428.db2.gz PETUJRIUSTWSAR-LJQANCHMSA-N 0 0 350.506 5.426 1 10 FKCFRN Cc1nc2sc3ccccc3n2c(=O)c1/N=N/c1ccc(Cl)cc1 ZINC000006009782 204233268 /nfs/dbraw/zinc/23/32/68/204233268.db2.gz PDXNGIPOFUSTLT-QZQOTICOSA-N 0 0 354.822 5.286 1 10 FKCFRN COc1cc2c(/C=C3/C(=O)Nc4ccc(Cl)cc43)c(Cl)[nH]c2cc1C ZINC000006522236 204251927 /nfs/dbraw/zinc/25/19/27/204251927.db2.gz IHDRBUNCSBKAIX-VGOFMYFVSA-N 0 0 373.239 5.284 1 10 FKCFRN CN(C)c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 ZINC000008536349 204333332 /nfs/dbraw/zinc/33/33/32/204333332.db2.gz NKUBZDPTLCVZAC-UHFFFAOYSA-N 0 0 358.420 5.011 1 10 FKCFRN Nc1[nH]c(/N=N\c2nc(-c3ccc(Cl)cc3)cs2)c2ccccc12 ZINC000008927382 207252772 /nfs/dbraw/zinc/25/27/72/207252772.db2.gz OHQQJGGBAIQLIM-FCQUAONHSA-N 0 0 353.838 5.942 1 10 FKCFRN CC(=O)N1c2ccc(Cl)cc2[C@H]2C=CC[C@H]2[C@H]1c1cccc2ccccc21 ZINC000012379455 132856184 /nfs/dbraw/zinc/85/61/84/132856184.db2.gz MGIXZCJBXIHKQQ-XZDHIHRUSA-N 0 0 373.883 6.261 1 10 FKCFRN CCc1nc2sc3c(c2c(NNC2=c4ccccc4=NC2=O)n1)CCC3 ZINC000013122290 211023874 /nfs/dbraw/zinc/02/38/74/211023874.db2.gz VIQKPURUPNZOEZ-WCWDXBQESA-N 0 0 363.446 5.345 1 10 FKCFRN CC(C)=CCC/C(C)=C/CC/C(C)=C/COC(=O)c1cc(O)c(O)c(O)c1 ZINC000013513078 220070811 /nfs/dbraw/zinc/07/08/11/220070811.db2.gz ICCHAXTXJXQCRL-BTMZFSHUSA-N 0 0 374.477 5.379 1 10 FKCFRN CCc1c(-c2ccc(O)cc2)cc(-c2ccccc2)n1-c1ccc(O)cc1 ZINC000013558580 220073148 /nfs/dbraw/zinc/07/31/48/220073148.db2.gz YBFZRGYWZJYEOK-UHFFFAOYSA-N 0 0 355.437 5.785 1 10 FKCFRN Clc1ccc([C@H]2Nc3ccc4ccccc4c3[C@@H]3C=CC[C@H]32)c(Cl)c1 ZINC000013634814 206304775 /nfs/dbraw/zinc/30/47/75/206304775.db2.gz NQIQRNIAYHHQBL-YVHKJVDXSA-N 0 0 366.291 6.973 1 10 FKCFRN Clc1ccc([C@H]2Nc3ccc4ccccc4c3[C@H]3C=CC[C@H]32)c(Cl)c1 ZINC000013634819 206305217 /nfs/dbraw/zinc/30/52/17/206305217.db2.gz NQIQRNIAYHHQBL-JKSBSHDWSA-N 0 0 366.291 6.973 1 10 FKCFRN O=C1C=C([N+](=O)[O-])c2ccccc2C1=NNc1c(O)ccc2ccccc21 ZINC000013864584 211063745 /nfs/dbraw/zinc/06/37/45/211063745.db2.gz WHGVDNGKHQECSW-QURGRASLSA-N 0 0 359.341 5.728 1 10 FKCFRN O=C(Nc1ccccc1)C1=Cc2ccccc2C(=NNc2ccccc2)C1=O ZINC000022013607 220373990 /nfs/dbraw/zinc/37/39/90/220373990.db2.gz WYUHTVDGHDRPDW-QPLCGJKRSA-N 0 0 367.408 6.213 1 10 biogenic,in-vitro FKCFRN COc1ccc(O)c(O)c1CC[C@H]1[C@@H](C)CC[C@@H]2C(C)(C)CCC[C@@]21C ZINC000026151267 207910328 /nfs/dbraw/zinc/91/03/28/207910328.db2.gz ITCMKMQTHHSCHB-XMGBXEQJSA-N 0 0 360.538 5.918 1 10 FKCFRN O=C([O-])/C=C/C=C/c1ccc(Nc2c3ccccc3[nH+]c3ccccc32)cc1 ZINC000026935305 204856529 /nfs/dbraw/zinc/85/65/29/204856529.db2.gz ZCAHIXFFORBBGS-VIKAGGQVSA-N 0 0 366.420 5.786 1 10 FKCFRN Cc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccc(N(C)C)cc3)C2)cc1 ZINC000028527486 207965620 /nfs/dbraw/zinc/96/56/20/207965620.db2.gz GVCJVIIMZFZQHQ-XMMPIXPASA-N 0 0 355.485 5.417 1 10 FKCFRN COc1cc2c(/C=C3/C(=O)Nc4cccc(Cl)c43)c(Cl)[nH]c2cc1C ZINC000033917575 208100253 /nfs/dbraw/zinc/10/02/53/208100253.db2.gz SYGPBMZOSVBCHF-KPKJPENVSA-N 0 0 373.239 5.284 1 10 FKCFRN CC1(C)CCC(C)(C)c2cc(N[N+](=O)c3ccc(C(=O)[O-])cc3)ccc21 ZINC000034094937 208102481 /nfs/dbraw/zinc/10/24/81/208102481.db2.gz CLLYCGQMYJRFMZ-FCQUAONHSA-N 0 0 352.434 5.660 1 10 FKCFRN Cc1cc2n(c1C)-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2 ZINC000034588299 204976413 /nfs/dbraw/zinc/97/64/13/204976413.db2.gz YKIFPUSHPMDHGT-UHFFFAOYSA-N 0 0 355.268 5.752 1 10 FKCFRN Cc1cc(C)n2c1CN=C(c1c(F)cccc1F)c1cc(Cl)ccc1-2 ZINC000034588305 220755534 /nfs/dbraw/zinc/75/55/34/220755534.db2.gz GAEPAOHSOMZPCB-UHFFFAOYSA-N 0 0 356.803 5.377 1 10 FKCFRN CC(C)CN(CC(C)C)c1ccc(/C=C/c2nc3ccccc3s2)cc1 ZINC000036381203 208159728 /nfs/dbraw/zinc/15/97/28/208159728.db2.gz LZCDNRDMPQEBTD-SDNWHVSQSA-N 0 0 364.558 6.585 1 10 FKCFRN CN(Cc1ccccc1)c1ccc(/C=C/c2nc3ccccc3s2)cc1 ZINC000036381222 208159583 /nfs/dbraw/zinc/15/95/83/208159583.db2.gz JKQLKKHOFFVOPH-DTQAZKPQSA-N 0 0 356.494 6.103 1 10 FKCFRN CN(C)c1ccc([C@H]2CCc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000038142115 136118515 /nfs/dbraw/zinc/11/85/15/136118515.db2.gz USTHYIAFNZXSAZ-HSZRJFAPSA-N 0 0 356.469 5.087 1 10 FKCFRN CO[C@@H]1c2cc(O)c(O)cc2O[C@@]2(C)CC[C@H]3C(C)(C)CCC[C@]3(C)[C@@H]12 ZINC000038494885 205041800 /nfs/dbraw/zinc/04/18/00/205041800.db2.gz YKDSZDGDSDTQSB-YMYKFTITSA-N 0 0 360.494 5.179 1 10 FKCFRN COCc1cc(O)c(O)c2c1[C@@]1(C)CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]1C2 ZINC000038697344 205041846 /nfs/dbraw/zinc/04/18/46/205041846.db2.gz YCNIFSHJDNZEIT-WKZKVMAPSA-N 0 0 358.522 5.301 1 10 FKCFRN Cc1ccccc1C(=O)Nc1ccc2nc(-c3ccc(N(C)C)cc3)oc2c1 ZINC000040379995 211741240 /nfs/dbraw/zinc/74/12/40/211741240.db2.gz YFOIWWRKWFHWGS-UHFFFAOYSA-N 0 0 371.440 5.122 1 10 FKCFRN Cc1ccc(C(=O)Nc2ccc3nc(-c4ccc(N(C)C)cc4)oc3c2)cc1 ZINC000040429144 208254297 /nfs/dbraw/zinc/25/42/97/208254297.db2.gz ZJXGXQUMSMQMCO-UHFFFAOYSA-N 0 0 371.440 5.122 1 10 FKCFRN FC(F)(F)c1cccc(N2CCN(/C=C/N=N/c3ccccc3)CC2)c1 ZINC000040949584 136120675 /nfs/dbraw/zinc/12/06/75/136120675.db2.gz IMAIRVCYMPOPGR-XXITZDMESA-N 0 0 360.383 5.083 1 10 FKCFRN N=C1CCn2nc(N)c(N=Nc3ccc(N=Nc4ccccc4)cc3)c2N1 ZINC000045245530 205119147 /nfs/dbraw/zinc/11/91/47/205119147.db2.gz GWXCVYXUOSVZMU-VTJHEJDCSA-N 0 0 359.397 5.089 1 10 FKCFRN Cc1cc(=O)[nH]c2c(N=Nc3ccc(N=Nc4ccccc4)cc3)c(N)nn21 ZINC000045288841 211813707 /nfs/dbraw/zinc/81/37/07/211813707.db2.gz WOUMDEGIADYYDK-VTJHEJDCSA-N 0 0 372.392 5.156 1 10 FKCFRN O=C1c2ccccc2C(=O)c2c3nc(-c4cccc5ccccc54)[nH]c3ccc21 ZINC000049088399 221019444 /nfs/dbraw/zinc/01/94/44/221019444.db2.gz UMCOPEJXWZMXEM-UHFFFAOYSA-N 0 0 374.399 5.159 1 10 FKCFRN FC(F)(F)c1cc(/N=N/C2=CN(CC3C=CC=C3)CCC2)ccc1Cl ZINC000058581054 205277393 /nfs/dbraw/zinc/27/73/93/205277393.db2.gz YIWIEEPZLJUPGH-WCWDXBQESA-N 0 0 367.802 6.122 1 10 FKCFRN O=C1Nc2ccc(F)cc2/C1=C\c1c(Cl)[nH]c2c1ccc1ccccc21 ZINC000058582325 221121890 /nfs/dbraw/zinc/12/18/90/221121890.db2.gz NYJRKQBUMXDYLS-LICLKQGHSA-N 0 0 362.791 5.606 1 10 FKCFRN COc1cc2c(/C=C3/C(=O)Nc4cc(Cl)ccc43)c(Cl)[nH]c2cc1C ZINC000058582613 212012360 /nfs/dbraw/zinc/01/23/60/212012360.db2.gz XYCPZJMSKUXINB-VGOFMYFVSA-N 0 0 373.239 5.284 1 10 FKCFRN CN(C)c1ccc2[nH]c(Cl)c(/C=C3/C(=O)Nc4ccc(Cl)cc43)c2c1 ZINC000058592743 221121468 /nfs/dbraw/zinc/12/14/68/221121468.db2.gz FETBWIGAGOFQCY-OQLLNIDSSA-N 0 0 372.255 5.033 1 10 FKCFRN O=C1/C(=C\c2ccccc2)C(c2ccccc2)=NN1c1ccc(Cl)cc1 ZINC000064454510 212039222 /nfs/dbraw/zinc/03/92/22/212039222.db2.gz ADWIPHSICGRKFS-HKWRFOASSA-N 0 0 358.828 5.175 1 10 FKCFRN Nc1ccc(-n2nc(C(F)(F)F)cc2-c2cccc3ccccc32)cc1 ZINC000066099849 205364093 /nfs/dbraw/zinc/36/40/93/205364093.db2.gz KKSYGXDYVXQMHH-UHFFFAOYSA-N 0 0 353.347 5.294 1 10 FKCFRN Cc1cccc2c1cc1n2-c2ccccc2N[C@@H]1c1ccc(N(C)C)cc1 ZINC000071341899 221345458 /nfs/dbraw/zinc/34/54/58/221345458.db2.gz NLCMPVZLORLAMZ-XMMPIXPASA-N 0 0 353.469 5.520 1 10 FKCFRN Cc1cccc2c1cc1n2-c2ccccc2N[C@H]1c1ccc(N(C)C)cc1 ZINC000071341900 221344600 /nfs/dbraw/zinc/34/46/00/221344600.db2.gz NLCMPVZLORLAMZ-DEOSSOPVSA-N 0 0 353.469 5.520 1 10 FKCFRN COc1ccc(N(C)Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000072102391 205467573 /nfs/dbraw/zinc/46/75/73/205467573.db2.gz HHQJACIBXTYGMS-UHFFFAOYSA-N 0 0 362.351 5.005 1 10 FKCFRN CC[C@@H](C)N(c1ccc(/C=C/c2ccnc3ccccc23)cc1)[C@H](C)CC ZINC000072122070 205032331 /nfs/dbraw/zinc/03/23/31/205032331.db2.gz WNYHPCDURNAWDP-HZFXBWRWSA-N 0 0 358.529 6.809 1 10 FKCFRN CN(C)c1ccc(-c2nc3ccc(Cl)cc3n2CC2CCCCC2)cc1 ZINC000073315433 205569292 /nfs/dbraw/zinc/56/92/92/205569292.db2.gz LJLZXVXZYIAWHG-UHFFFAOYSA-N 0 0 367.924 6.003 1 10 FKCFRN COc1ccc2nc(/N=N/c3ccc(N(C)C)c4ccccc34)sc2c1 ZINC000082151408 205646164 /nfs/dbraw/zinc/64/61/64/205646164.db2.gz VPSVMUSOVIOXIZ-GHVJWSGMSA-N 0 0 362.458 5.940 1 10 FKCFRN COc1ccc([C@@H]2c3cc(OC)ccc3N(Cc3ccccc3)C[C@H]2C)cc1 ZINC000096913154 132226328 /nfs/dbraw/zinc/22/63/28/132226328.db2.gz KUPQUUWZDBYIDQ-IQGLISFBSA-N 0 0 373.496 5.492 1 10 FKCFRN Cc1cc2oc3c(c2c(C)c1)C(=O)c1ccc(CCCC(C)C)cc1C3=O ZINC000096914028 222139364 /nfs/dbraw/zinc/13/93/64/222139364.db2.gz RWFRBRHGMAIPIU-UHFFFAOYSA-N 0 0 360.453 5.804 1 10 FKCFRN Cc1c2ccccc2nc2c1C(=O)c1ccc(CCCC(C)C)cc1C2=O ZINC000096914029 209161823 /nfs/dbraw/zinc/16/18/23/209161823.db2.gz GINLNPRDXAJVNL-UHFFFAOYSA-N 0 0 357.453 5.297 1 10 FKCFRN Cc1ccc([C@@H]2CC(c3ccccc3O)=NN2C(=O)Oc2ccccc2)cc1 ZINC000096937648 222143910 /nfs/dbraw/zinc/14/39/10/222143910.db2.gz FCXZXEWDBADHAJ-NRFANRHFSA-N 0 0 372.424 5.051 1 10 FKCFRN O=C(Nc1ccccc1Cl)c1ccc(/N=N\c2c[nH]c3ccccc23)cc1 ZINC000098082457 222226963 /nfs/dbraw/zinc/22/69/63/222226963.db2.gz KQYQIZVVRYINAN-QPLCGJKRSA-N 0 0 374.831 6.489 1 10 FKCFRN O=C(Nc1ccc(Cl)cc1)c1ccc(/N=N\c2c[nH]c3ccccc23)cc1 ZINC000098084171 222227932 /nfs/dbraw/zinc/22/79/32/222227932.db2.gz APNVPJYOYFHKBN-QPLCGJKRSA-N 0 0 374.831 6.489 1 10 FKCFRN Cc1cccc(NC(=O)c2ccccc2/N=N\c2c[nH]c3ccccc23)c1C ZINC000098084390 222227924 /nfs/dbraw/zinc/22/79/24/222227924.db2.gz IAOFVWQTZQOHBY-RQZHXJHFSA-N 0 0 368.440 6.452 1 10 FKCFRN Cc1ccc(C)c(NC(=O)c2ccccc2/N=N\c2c[nH]c3ccccc23)c1 ZINC000098084391 205935307 /nfs/dbraw/zinc/93/53/07/205935307.db2.gz RCADZRDNXNDYGA-RQZHXJHFSA-N 0 0 368.440 6.452 1 10 FKCFRN O=C(Nc1ccccc1F)c1ccccc1/N=N\c1c[nH]c2ccccc12 ZINC000098084392 209204594 /nfs/dbraw/zinc/20/45/94/209204594.db2.gz LKXTWKWWLPVPHV-QPLCGJKRSA-N 0 0 358.376 5.975 1 10 FKCFRN Cc1cccc(NC(=O)c2ccc(/N=N\c3c[nH]c4ccccc34)cc2)c1C ZINC000098084395 209205005 /nfs/dbraw/zinc/20/50/05/209205005.db2.gz UPVRJUNNSDINHZ-RQZHXJHFSA-N 0 0 368.440 6.452 1 10 FKCFRN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cc(Cl)ccc1O ZINC000100629521 222247450 /nfs/dbraw/zinc/24/74/50/222247450.db2.gz YQOPJLDMZCYSQH-FQEVSTJZSA-N 0 0 368.864 5.917 1 10 FKCFRN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cc(Cl)ccc1O ZINC000100629523 209216591 /nfs/dbraw/zinc/21/65/91/209216591.db2.gz YQOPJLDMZCYSQH-HXUWFJFHSA-N 0 0 368.864 5.917 1 10 FKCFRN Clc1ccc([C@H]2Nc3ccc4ccccc4c3[C@@H]3C=CC[C@@H]32)c(Cl)c1 ZINC000101164109 205954208 /nfs/dbraw/zinc/95/42/08/205954208.db2.gz NQIQRNIAYHHQBL-JLHGSKIFSA-N 0 0 366.291 6.973 1 10 FKCFRN C[C@H]1CC[C@H]2C(C)(C)CCC[C@]2(C)/C1=C/c1cc(O)c(O)c(C=O)c1O ZINC000101392374 209224880 /nfs/dbraw/zinc/22/48/80/209224880.db2.gz VGSQRECMCPQJNS-MDLVQSFPSA-N 0 0 358.478 5.262 1 10 FKCFRN C[C@H]1CC[C@@H]2C(C)(C)CCC[C@]2(C)/C1=C/c1cc(O)c(O)c(C=O)c1O ZINC000101392377 222272733 /nfs/dbraw/zinc/27/27/33/222272733.db2.gz VGSQRECMCPQJNS-JBWGREPBSA-N 0 0 358.478 5.262 1 10 FKCFRN CCc1nc2sc3c(c2c(NNC2=c4ccccc4=NC2=O)n1)CCC3 ZINC000102660847 222302998 /nfs/dbraw/zinc/30/29/98/222302998.db2.gz VIQKPURUPNZOEZ-VHXPQNKSSA-N 0 0 363.446 5.345 1 10 FKCFRN CC(C)(C)c1cc(CC2C(=O)c3ccccc3C2=O)cc(C(C)(C)C)c1O ZINC000102965529 222317121 /nfs/dbraw/zinc/31/71/21/222317121.db2.gz UANSDJOURCHRJR-UHFFFAOYSA-N 0 0 364.485 5.225 1 10 FKCFRN Fc1ccc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)cc1C(F)(F)F ZINC000103185114 222323102 /nfs/dbraw/zinc/32/31/02/222323102.db2.gz YDZZKVSVSDWPOT-UHFFFAOYSA-N 0 0 373.309 5.352 1 10 FKCFRN Cc1ccccc1NC(=O)c1ccccc1/N=N\c1c[nH]c2ccccc12 ZINC000103186245 222323123 /nfs/dbraw/zinc/32/31/23/222323123.db2.gz BXFNWEGHPWHWFU-QPLCGJKRSA-N 0 0 354.413 6.144 1 10 FKCFRN Cc1cccc(NC(=O)c2ccc(/N=N\c3c[nH]c4ccccc34)cc2)c1 ZINC000103187550 222323520 /nfs/dbraw/zinc/32/35/20/222323520.db2.gz XXWXLHUULUVQJX-QPLCGJKRSA-N 0 0 354.413 6.144 1 10 FKCFRN Cc1ccc(NC(=O)c2ccccc2/N=N\c2c[nH]c3ccccc23)c(C)c1 ZINC000103187559 222323486 /nfs/dbraw/zinc/32/34/86/222323486.db2.gz DPBVTWXYBSZZFD-RQZHXJHFSA-N 0 0 368.440 6.452 1 10 FKCFRN Cc1cccc(NC(=O)c2ccccc2/N=N\c2c[nH]c3ccccc23)c1 ZINC000103187561 222323091 /nfs/dbraw/zinc/32/30/91/222323091.db2.gz HLBBIDSICYRZFU-QPLCGJKRSA-N 0 0 354.413 6.144 1 10 FKCFRN Cc1ccc(NC(=O)c2ccccc2/N=N\c2c[nH]c3ccccc23)cc1 ZINC000103187563 209246692 /nfs/dbraw/zinc/24/66/92/209246692.db2.gz SAXYGCSDSCOUST-QPLCGJKRSA-N 0 0 354.413 6.144 1 10 FKCFRN Cc1ccc(NC(=O)c2ccc(/N=N\c3c[nH]c4ccccc34)cc2)c(C)c1 ZINC000103187652 205986997 /nfs/dbraw/zinc/98/69/97/205986997.db2.gz IFRMFDSHDPPTNX-RQZHXJHFSA-N 0 0 368.440 6.452 1 10 FKCFRN O=C(Nc1cccc(Cl)c1)c1ccc(/N=N\c2c[nH]c3ccccc23)cc1 ZINC000103187654 222322936 /nfs/dbraw/zinc/32/29/36/222322936.db2.gz DYVADOQPDCFCNO-QPLCGJKRSA-N 0 0 374.831 6.489 1 10 FKCFRN COc1ccccc1NC(=O)c1ccc(/N=N\c2c[nH]c3ccccc23)cc1 ZINC000103187656 205986496 /nfs/dbraw/zinc/98/64/96/205986496.db2.gz JMXYBTOZKUPYQP-QPLCGJKRSA-N 0 0 370.412 5.844 1 10 FKCFRN O=C(Nc1ccccc1F)c1ccc(/N=N\c2c[nH]c3ccccc23)cc1 ZINC000103187660 222323112 /nfs/dbraw/zinc/32/31/12/222323112.db2.gz FSINRDSQSFNIPH-QPLCGJKRSA-N 0 0 358.376 5.975 1 10 FKCFRN O=C(Nc1ccccc1Cl)c1ccccc1/N=N\c1c[nH]c2ccccc12 ZINC000103191014 209248593 /nfs/dbraw/zinc/24/85/93/209248593.db2.gz UVBVSBWMIIFQIV-QPLCGJKRSA-N 0 0 374.831 6.489 1 10 FKCFRN O=C(Nc1cccc(Cl)c1)c1ccccc1/N=N\c1c[nH]c2ccccc12 ZINC000103191017 205987246 /nfs/dbraw/zinc/98/72/46/205987246.db2.gz AKKUPEPBGRWWIY-QPLCGJKRSA-N 0 0 374.831 6.489 1 10 FKCFRN Cc1cc(-c2nnc3n2CCCCC3)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000103225954 222326757 /nfs/dbraw/zinc/32/67/57/222326757.db2.gz PPPSKWGJGYDJPC-UHFFFAOYSA-N 0 0 374.410 5.098 1 10 FKCFRN Cc1cc(-c2nnc3n2CCCCC3)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000103225972 205988371 /nfs/dbraw/zinc/98/83/71/205988371.db2.gz XFBZAGUOGQGWJC-UHFFFAOYSA-N 0 0 362.521 5.377 1 10 FKCFRN Cc1cc(-c2nnc3n2CCCCC3)c(C)n1-c1cccc2ccccc21 ZINC000103225985 222326745 /nfs/dbraw/zinc/32/67/45/222326745.db2.gz NFCHGHUEZLEGMI-UHFFFAOYSA-N 0 0 356.473 5.232 1 10 FKCFRN COC(=O)c1cc(O)c(O)c(C[C@]2(C)[C@@H](C)CC[C@@]3(C)C(C)=CCC[C@H]32)c1 ZINC000103240708 209250058 /nfs/dbraw/zinc/25/00/58/209250058.db2.gz VXQUGYOYJDITTO-KNSMUJDWSA-N 0 0 372.505 5.226 1 10 FKCFRN CC1(C)CC(=S)C2=C(C1)Oc1ccc3ccccc3c1[C@H]2c1ccccc1 ZINC000103272233 222330463 /nfs/dbraw/zinc/33/04/63/222330463.db2.gz JHLWIZXWQUVYEI-JOCHJYFZSA-N 0 0 370.517 6.808 1 10 FKCFRN CC1(C)CC(=S)C2=C(C1)Oc1ccc3ccccc3c1[C@@H]2c1ccccc1 ZINC000103272236 205992096 /nfs/dbraw/zinc/99/20/96/205992096.db2.gz JHLWIZXWQUVYEI-QFIPXVFZSA-N 0 0 370.517 6.808 1 10 FKCFRN Cc1cc(C2=NN(c3ccccc3)[C@H](c3ccccc3Cl)C2)ccc1O ZINC000103281074 209251170 /nfs/dbraw/zinc/25/11/70/209251170.db2.gz ODZKIMLAULGGSH-NRFANRHFSA-N 0 0 362.860 5.710 1 10 FKCFRN COc1ccc([C@@H]2CC(c3ccc(O)c(C)c3)=NN2c2ccccc2)cc1 ZINC000103283004 222331896 /nfs/dbraw/zinc/33/18/96/222331896.db2.gz JYDDUAAVNROIFL-QFIPXVFZSA-N 0 0 358.441 5.065 1 10 FKCFRN COc1ccc([C@H]2CC(c3ccc(O)c(C)c3)=NN2c2ccccc2)cc1 ZINC000103283006 209251673 /nfs/dbraw/zinc/25/16/73/209251673.db2.gz JYDDUAAVNROIFL-JOCHJYFZSA-N 0 0 358.441 5.065 1 10 FKCFRN Cc1cc(C2=NN(c3ccccc3)[C@H](c3ccc(Cl)cc3)C2)ccc1O ZINC000103285093 222332209 /nfs/dbraw/zinc/33/22/09/222332209.db2.gz LUEXRQCSMOTYKM-NRFANRHFSA-N 0 0 362.860 5.710 1 10 FKCFRN Cc1cc(C2=NN(c3ccccc3)[C@@H](c3ccc(Cl)cc3)C2)ccc1O ZINC000103285096 222332462 /nfs/dbraw/zinc/33/24/62/222332462.db2.gz LUEXRQCSMOTYKM-OAQYLSRUSA-N 0 0 362.860 5.710 1 10 FKCFRN Cc1cc(C2=NN(c3ccccc3)[C@H](c3ccc(N(C)C)cc3)C2)ccc1O ZINC000103285098 209252250 /nfs/dbraw/zinc/25/22/50/209252250.db2.gz OPOARLQPGLZQDU-QHCPKHFHSA-N 0 0 371.484 5.122 1 10 FKCFRN Cc1cc(C2=NN(c3ccccc3)[C@@H](c3ccc(N(C)C)cc3)C2)ccc1O ZINC000103285100 222332457 /nfs/dbraw/zinc/33/24/57/222332457.db2.gz OPOARLQPGLZQDU-HSZRJFAPSA-N 0 0 371.484 5.122 1 10 FKCFRN O=C([O-])/C=C/C=C\c1cccc(Nc2c3ccccc3[nH+]c3ccccc32)c1 ZINC000111464178 209331947 /nfs/dbraw/zinc/33/19/47/209331947.db2.gz UKLHUIWGVNJKIX-GSDYDIRISA-N 0 0 366.420 5.786 1 10 FKCFRN CC[C@@H](C(=O)[O-])c1ccc(Nc2c3ccccc3[nH+]c3c(C)cccc23)cc1 ZINC000169322384 206250963 /nfs/dbraw/zinc/25/09/63/206250963.db2.gz RVMAZKUAYXGDAB-GOSISDBHSA-N 0 0 370.452 6.018 1 10 FKCFRN Cc1cccc2c(Nc3ccc(O[C@@H](C)C(=O)[O-])cc3)c3ccccc3[nH+]c12 ZINC000169322387 206250279 /nfs/dbraw/zinc/25/02/79/206250279.db2.gz UPMJDLBKWRLIKX-HNNXBMFYSA-N 0 0 372.424 5.292 1 10 FKCFRN Cc1cccc2c(Nc3ccc(O[C@H](C)C(=O)[O-])cc3)c3ccccc3[nH+]c12 ZINC000169322389 206250215 /nfs/dbraw/zinc/25/02/15/206250215.db2.gz UPMJDLBKWRLIKX-OAHLLOKOSA-N 0 0 372.424 5.292 1 10 FKCFRN CCCCOc1cccc2c1C(=O)c1c(OCCCC)cc(C)cc1C2=O ZINC000169343709 206254203 /nfs/dbraw/zinc/25/42/03/206254203.db2.gz UZNHRNAYJXGJRH-UHFFFAOYSA-N 0 0 366.457 5.128 1 10 FKCFRN CC(C)[C@H]1Nc2c(C(=O)c3ccccc3)cc(Cl)cc2[C@H]2C=CC[C@H]21 ZINC000004198886 207005660 /nfs/dbraw/zinc/00/56/60/207005660.db2.gz AOZVICNSUKGFLN-SQGPQFPESA-N 0 0 351.877 5.681 2 10 FKCFRN CC(C)[C@H]1Nc2c(C(=O)c3ccccc3)cc(Cl)cc2[C@H]2C=CC[C@@H]21 ZINC000004198888 207006156 /nfs/dbraw/zinc/00/61/56/207006156.db2.gz AOZVICNSUKGFLN-ABSDTBQOSA-N 0 0 351.877 5.681 2 10 FKCFRN Cc1ccc(C)c([C@H](Nc2ccccc2)c2ccc3ccc(C)nc3c2O)c1 ZINC000095564617 209080990 /nfs/dbraw/zinc/08/09/90/209080990.db2.gz TVPCDBKWPDJXDZ-XMMPIXPASA-N 0 0 368.480 6.067 3 10 FKCFRN Oc1cc2[nH]c3ccc4c5ccc(Br)cc5[nH]c4c3c2cc1O ZINC000096934376 210240159 /nfs/dbraw/zinc/24/01/59/210240159.db2.gz TYGUTURXHKSOBP-UHFFFAOYSA-N 0 0 367.202 5.129 3 10 FKCFRN