smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(C)c(C)c1 ZINC000018022721 210235281 /nfs/dbraw/zinc/23/52/81/210235281.db2.gz ARIKTISESJOPEM-LDADJPATSA-N 0 0 369.852 4.649 10 10 FJCERN O=C(CSCc1ccccc1)N=Nc1ccc(OC2CSC2)cc1 ZINC000005603532 204216950 /nfs/dbraw/zinc/21/69/50/204216950.db2.gz OKHSBOCZPIDWBH-FMQUCBEESA-N 0 0 358.488 4.725 10 10 FJCERN CN(C)c1ccc(-c2cc3ncccc3c(NCc3ccc(N)cc3)n2)cc1 ZINC000013489194 211035202 /nfs/dbraw/zinc/03/52/02/211035202.db2.gz LJUQTFAXROCZHF-UHFFFAOYSA-N 0 0 369.472 4.557 10 10 FJCERN O=C1C(=CNc2ccccc2Cl)SC(=S)N1C1CCCCC1 ZINC000102154553 570828037 /nfs/dbraw/zinc/82/80/37/570828037.db2.gz NICADIXPHKUFMQ-UVTDQMKNSA-N 0 0 352.912 4.786 10 10 FJCERN CN1c2ccc(/N=N/c3ccc([N+](=O)[O-])cc3)cc2C(C)(C)[C@@]12CC=NO2 ZINC000005173900 204195382 /nfs/dbraw/zinc/19/53/82/204195382.db2.gz OMQJTJLMCAGFOH-XJUMHSELSA-N 0 0 365.393 4.840 10 10 FJCERN Cc1cc(C(=O)N[C@H](C)c2cc3ccccc3o2)c(C)n1-c1ccccn1 ZINC000106072960 206013846 /nfs/dbraw/zinc/01/38/46/206013846.db2.gz VTERNHJXROMHCI-OAHLLOKOSA-N 0 0 359.429 4.726 10 10 FJCERN Cc1cc(C(=O)OCc2nnc(-c3ccccc3)o2)c(C)n1-c1ccccc1 ZINC000002643350 210411004 /nfs/dbraw/zinc/41/10/04/210411004.db2.gz DSMFVRRFGJORGD-UHFFFAOYSA-N 0 0 373.412 4.501 10 10 FJCERN Ic1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccnc1)N2 ZINC000004810921 570607985 /nfs/dbraw/zinc/60/79/85/570607985.db2.gz CFRHLUTVPLEIPB-ZQIUZPCESA-N 0 0 374.225 4.513 10 10 FJCERN Cc1cccc(N[C@H](c2ccncc2)c2ccc3ccc(C)nc3c2O)n1 ZINC000045944420 210189831 /nfs/dbraw/zinc/18/98/31/210189831.db2.gz WWHLFXVJBCYLPQ-HXUWFJFHSA-N 0 0 356.429 4.549 10 10 FJCERN COc1cccc([C@H]2CC(c3ccc(Cl)cc3)=N[C@H](C(C)C)N2)c1O ZINC000004730003 204159246 /nfs/dbraw/zinc/15/92/46/204159246.db2.gz GGUVEJQEEXOVQH-XLIONFOSSA-N 0 0 358.869 4.560 10 10 FJCERN COC(=O)c1ccc2c(c1C)N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@@H]21 ZINC000059267123 212015752 /nfs/dbraw/zinc/01/57/52/212015752.db2.gz QTGKOXFXCBBNSZ-HLIPFELVSA-N 0 0 364.401 4.516 10 10 FJCERN CC[C@H](Nc1cccc(I)c1)c1ccccc1O ZINC000020478706 211282234 /nfs/dbraw/zinc/28/22/34/211282234.db2.gz IPSCTPZKGIWEKR-AWEZNQCLSA-N 0 0 353.203 4.560 10 10 FJCERN Ic1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccnc1)N2 ZINC000004810919 210565104 /nfs/dbraw/zinc/56/51/04/210565104.db2.gz CFRHLUTVPLEIPB-JJRVBVJISA-N 0 0 374.225 4.513 10 10 FJCERN CCc1cccc2c1N[C@@H](c1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21 ZINC000059267094 221125648 /nfs/dbraw/zinc/12/56/48/221125648.db2.gz FAXRCUZTAIRCDA-XPIZARPCSA-N 0 0 350.418 4.992 10 10 FJCERN O=C1c2c(c(Cl)c(Cl)c(Cl)c2Cl)C(=O)C1(Cl)Cl ZINC000098180845 222229973 /nfs/dbraw/zinc/22/99/73/222229973.db2.gz WJHXJYUKJVLCRB-UHFFFAOYSA-N 0 0 352.815 4.853 10 10 FJCERN COc1cccc([C@H]2CC(c3ccc(Cl)cc3)=N[C@@H](C(C)C)N2)c1O ZINC000004730004 571201093 /nfs/dbraw/zinc/20/10/93/571201093.db2.gz GGUVEJQEEXOVQH-YLJYHZDGSA-N 0 0 358.869 4.560 10 10 FJCERN Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2[NH2+]Cc1ccccc1O ZINC000011662257 210100953 /nfs/dbraw/zinc/10/09/53/210100953.db2.gz ZKJVVZNYLOCASU-LJQANCHMSA-N 0 0 361.489 4.690 10 10 FJCERN CCOc1cccc([C@H]2CC(c3ccc(C)cc3)=N[C@H](C(C)C)N2)c1O ZINC000004729262 204158919 /nfs/dbraw/zinc/15/89/19/204158919.db2.gz ZWMJBHVHXABDMU-KNQAVFIVSA-N 0 0 352.478 4.605 10 10 FJCERN CC(=O)c1ccc(N2C(=O)C(=Cc3ccccc3)N=C2c2ccccc2)cc1 ZINC000005383500 204206589 /nfs/dbraw/zinc/20/65/89/204206589.db2.gz BXCLFCKXLDRSOW-JWGURIENSA-N 0 0 366.420 4.724 10 10 FJCERN O=C1/C(=C\c2ccncc2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000005903106 204229673 /nfs/dbraw/zinc/22/96/73/204229673.db2.gz OXVZGUMJLKJUQI-NTUHNPAUSA-N 0 0 367.282 4.794 10 10 FJCERN CCCN1C(=O)/C(=C/C=C2\N(CC)c3ccccc3C2(C)C)SC1=S ZINC000033926873 211614480 /nfs/dbraw/zinc/61/44/80/211614480.db2.gz XHJPGKJKEHAANQ-LSQIQBGYSA-N 0 0 372.559 4.842 10 10 aggregator FJCERN Cc1ccc(C)c(NC2=NC(=O)C(=Cc3cn(C)c4ccccc34)S2)c1 ZINC000008410991 204331203 /nfs/dbraw/zinc/33/12/03/204331203.db2.gz YANXCVOANQQJBD-ODLFYWEKSA-N 0 0 361.470 4.878 10 10 FJCERN O=C1/C(=C/c2c[nH]c3ccccc23)SC(=S)N1Cc1ccc(F)cc1 ZINC000040570581 211748824 /nfs/dbraw/zinc/74/88/24/211748824.db2.gz RVYGRCCDTADXRJ-MFOYZWKCSA-N 0 0 368.458 4.708 10 10 FJCERN Cc1cc2c(n1-c1ccc(C(=O)NCc3cccs3)cc1)CCCC2 ZINC000006877886 210713190 /nfs/dbraw/zinc/71/31/90/210713190.db2.gz ZQKWMCHSEFCJRD-UHFFFAOYSA-N 0 0 350.487 4.656 10 10 FJCERN CCc1ccccc1NC1=NC(=O)C(=Cc2cn(C)c3ccccc23)S1 ZINC000006570508 210679720 /nfs/dbraw/zinc/67/97/20/210679720.db2.gz YQTYLSSUUFTZBG-UNOMPAQXSA-N 0 0 361.470 4.823 10 10 FJCERN COc1ccc(C)cc1N[C@H](c1ccncc1)c1ccc2cccnc2c1O ZINC000096298890 222113768 /nfs/dbraw/zinc/11/37/68/222113768.db2.gz FWHHREVSKQPYBZ-OAQYLSRUSA-N 0 0 371.440 4.854 10 10 FJCERN CCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1[N+](=O)[O-])N2 ZINC000005050254 570619624 /nfs/dbraw/zinc/61/96/24/570619624.db2.gz GCMQSOVOYOJAMC-AUSJPIAWSA-N 0 0 364.401 4.598 10 10 FJCERN CC[C@@H]1CCCCN1/C=C1\SC(=S)N(c2cccc(Cl)c2)C1=O ZINC000005875399 570637429 /nfs/dbraw/zinc/63/74/29/570637429.db2.gz JKSMZMSOAYZKJI-LKKYZFDUSA-N 0 0 366.939 4.811 10 10 FJCERN [O-][N+]1(Cc2cc(Nc3ccnc4cc(Cl)ccc43)ccc2O)CCCC1 ZINC000044136007 571101517 /nfs/dbraw/zinc/10/15/17/571101517.db2.gz VLCOGSMGGJRHOM-UHFFFAOYSA-N 0 0 369.852 4.946 10 10 in-vitro FJCERN Cc1ccc(N[C@H](c2ccccn2)c2ccc3ccc(C)nc3c2O)nc1 ZINC000045944401 210188428 /nfs/dbraw/zinc/18/84/28/210188428.db2.gz UCPYHSICUZWKCF-NRFANRHFSA-N 0 0 356.429 4.549 10 10 FJCERN CCC[C@H]1SC(=S)N(c2ccc(Br)c(Cl)c2)C1=O ZINC000003615953 203918707 /nfs/dbraw/zinc/91/87/07/203918707.db2.gz IKQPMUNSQCTZEF-SNVBAGLBSA-N 0 0 364.717 4.636 10 10 FJCERN COc1ccc(N2C(=O)/C(=C/c3ccccc3)N=C2c2ccc(C)cc2)cc1 ZINC000005413796 204208401 /nfs/dbraw/zinc/20/84/01/204208401.db2.gz ABLNBBKAIQMUKB-JWGURIENSA-N 0 0 368.436 4.838 10 10 FJCERN Cc1cc(C)cc(N2C(=O)/C(=C/c3ccccc3[N+](=O)[O-])SC2=S)c1 ZINC000005539047 204213879 /nfs/dbraw/zinc/21/38/79/204213879.db2.gz PDOOCJVQRPRMKY-YBEGLDIGSA-N 0 0 370.455 4.617 10 10 FJCERN COC(=O)c1ccc2c(c1C)N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21 ZINC000004983790 204182166 /nfs/dbraw/zinc/18/21/66/204182166.db2.gz QTGKOXFXCBBNSZ-QKLQHJQFSA-N 0 0 364.401 4.516 10 10 FJCERN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OC ZINC000005872119 204228015 /nfs/dbraw/zinc/22/80/15/204228015.db2.gz QLCCUGWIVCJACS-YBEGLDIGSA-N 0 0 370.836 4.553 10 10 FJCERN O=C1N=C(Nc2cccc(O)c2)SC1=CC(Cl)=Cc1ccccc1 ZINC000016937623 204643787 /nfs/dbraw/zinc/64/37/87/204643787.db2.gz HYMJKKDRYTUZOJ-ZTJWTMSASA-N 0 0 356.834 4.597 10 10 FJCERN CCCC[C@@H](CC)CNc1ccc(O)c2c1C(=O)c1ccccc1C2=O ZINC000038646719 205041078 /nfs/dbraw/zinc/04/10/78/205041078.db2.gz MXZJNSQLKYADNZ-CQSZACIVSA-N 0 0 351.446 4.796 10 10 FJCERN CCCC[C@H](CC)CNc1ccc(O)c2c1C(=O)c1ccccc1C2=O ZINC000038646724 205041215 /nfs/dbraw/zinc/04/12/15/205041215.db2.gz MXZJNSQLKYADNZ-AWEZNQCLSA-N 0 0 351.446 4.796 10 10 FJCERN CCOc1c(/N=N/c2ccc([N+](=O)[O-])cc2)c(C)nn1-c1ccccc1 ZINC000004557245 210541428 /nfs/dbraw/zinc/54/14/28/210541428.db2.gz UCULYSGHYXYKBO-FMQUCBEESA-N 0 0 351.366 4.903 10 10 FJCERN CCc1cccc2c1N[C@@H](c1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21 ZINC000004140454 210511982 /nfs/dbraw/zinc/51/19/82/210511982.db2.gz FAXRCUZTAIRCDA-KUDFPVQQSA-N 0 0 350.418 4.992 10 10 FJCERN COc1ccc(NCc2ccc(N3CCCC[C@H]3C)c([N+](=O)[O-])c2)cc1 ZINC000226241500 132374794 /nfs/dbraw/zinc/37/47/94/132374794.db2.gz CCXAKIZZHHWNER-OAHLLOKOSA-N 0 0 355.438 4.594 10 10 FJCERN COc1ccc(N[C@H](c2ccncc2)c2ccc3cccnc3c2O)cc1 ZINC000027644710 571009712 /nfs/dbraw/zinc/00/97/12/571009712.db2.gz BDGXUWHJEXOCCX-HXUWFJFHSA-N 0 0 357.413 4.546 10 10 FJCERN Cc1ccc(NCN2C(=O)/C(=C\C=C\c3ccccc3)SC2=S)cc1 ZINC000005587957 210229830 /nfs/dbraw/zinc/22/98/30/210229830.db2.gz UGBAWLCDTCLLJM-HYZSBJHASA-N 0 0 366.511 4.822 10 10 FJCERN CCOc1cccc([C@@H]2CC(c3ccc(C)cc3)=N[C@@H](C(C)C)N2)c1O ZINC000004729264 204158670 /nfs/dbraw/zinc/15/86/70/204158670.db2.gz ZWMJBHVHXABDMU-SIKLNZKXSA-N 0 0 352.478 4.605 10 10 FJCERN Cc1cc(C(=O)N[C@@H](C)c2cc3ccccc3o2)c(C)n1-c1ccccn1 ZINC000106072957 206014283 /nfs/dbraw/zinc/01/42/83/206014283.db2.gz VTERNHJXROMHCI-HNNXBMFYSA-N 0 0 359.429 4.726 10 10 FJCERN O=[N+]([O-])c1ccc(/N=N/Nc2ccc([N+](=O)[O-])cc2Cl)c(Cl)c1 ZINC000032222553 211546765 /nfs/dbraw/zinc/54/67/65/211546765.db2.gz RFRDEAGJOOCGPZ-UHFFFAOYSA-N 0 0 356.125 4.921 10 10 FJCERN CCN(CCO)c1ccc(N=Nc2nc3ccc(OC)cc3s2)cc1 ZINC000254870384 210216024 /nfs/dbraw/zinc/21/60/24/210216024.db2.gz UDACKEZLXLPHBN-UHFFFAOYSA-N 0 0 356.451 4.539 10 10 FJCERN O=C(CCCCCCCCc1ccc(O)c(O)c1)c1c(O)cccc1O ZINC000001564959 291085214 /nfs/dbraw/zinc/08/52/14/291085214.db2.gz HCOZRFYGIFMIEX-UHFFFAOYSA-N 0 0 358.434 4.665 10 10 endogenous,in-man FJCERN CCc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)SC2=S)cc1 ZINC000033939377 204976201 /nfs/dbraw/zinc/97/62/01/204976201.db2.gz CSNOXLJHHHGLQK-LFIBNONCSA-N 0 0 370.455 4.563 10 10 FJCERN CCCCOC(=O)c1sc2nc(-c3ccco3)c3c(c2c1N)CCCC3 ZINC000040568359 205073173 /nfs/dbraw/zinc/07/31/73/205073173.db2.gz FIXKLRLGXJKZSJ-UHFFFAOYSA-N 0 0 370.474 4.974 10 10 FJCERN CCCCCCN1C(=O)/C(=C\C2=Cc3ccccc3OC2)SC1=S ZINC000102840409 222309916 /nfs/dbraw/zinc/30/99/16/222309916.db2.gz UAAMYIDJNKYITJ-SFQUDFHCSA-N 0 0 359.516 4.787 10 10 FJCERN COC(=O)c1sc2nccc(Nc3ccc(OC(C)C)cc3C)c2c1N ZINC000642881968 571291480 /nfs/dbraw/zinc/29/14/80/571291480.db2.gz MWBDUQPFRPFAIX-UHFFFAOYSA-N 0 0 371.462 4.504 10 10 FJCERN CCN(CC)c1ccc(/C=C2\SC(=N)N(c3ccccc3)C2=O)cc1 ZINC000015052942 220142794 /nfs/dbraw/zinc/14/27/94/220142794.db2.gz CFBIKLMJBQPMMI-DOZOSFQVSA-N 0 0 351.475 4.588 10 10 FJCERN CN1C(=O)C(=CC2=CC(=NNc3ccccc3)C=CC2=O)SC1=S ZINC000016188918 220180240 /nfs/dbraw/zinc/18/02/40/220180240.db2.gz QVELRKGNIMJGHK-PPVAIKJXSA-N 0 0 355.444 4.639 10 10 FJCERN Cc1c(C(=O)NCc2ccncc2)cc(-c2ccccc2)n1-c1ccccc1 ZINC000004421231 207020166 /nfs/dbraw/zinc/02/01/66/207020166.db2.gz OFHJKVJBWSIGJI-UHFFFAOYSA-N 0 0 367.452 4.778 10 10 FJCERN Cc1cc(C=C2NC(=S)NC2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000033304431 208083364 /nfs/dbraw/zinc/08/33/64/208083364.db2.gz MQRYXVZCPQJUAQ-MOSHPQCFSA-N 0 0 373.481 4.518 10 10 FJCERN CCOC(=O)c1sc2nc(-c3cccs3)c3c(c2c1N)CCCC3 ZINC000040568297 208257359 /nfs/dbraw/zinc/25/73/59/208257359.db2.gz UBHKRVPBVYPVJD-UHFFFAOYSA-N 0 0 358.488 4.663 10 10 FJCERN CCOC(=O)c1cccc2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@H]21 ZINC000004181563 570580417 /nfs/dbraw/zinc/58/04/17/570580417.db2.gz SZAVPYCBCXMPCA-BXWFABGCSA-N 0 0 364.401 4.598 10 10 FJCERN CCONC(=O)c1cc(-c2ccccc2)n(-c2ccc(OCC)cc2)c1C ZINC000040373944 571095357 /nfs/dbraw/zinc/09/53/57/571095357.db2.gz AULOFXGIXVGUFM-UHFFFAOYSA-N 0 0 364.445 4.533 10 10 FJCERN O=C1/C(=C\c2nc3ccccc3[nH]2)SC(=S)N1c1ccccc1Cl ZINC000027533847 571312966 /nfs/dbraw/zinc/31/29/66/571312966.db2.gz JMUOSICKHRQEQP-NTEUORMPSA-N 0 0 371.874 4.622 10 10 FJCERN Oc1ccc2ccccc2c1[C@H](c1ccccc1)n1nc2ccccc2n1 ZINC000005487508 207102614 /nfs/dbraw/zinc/10/26/14/207102614.db2.gz FPFKRRWGVZUXAJ-QHCPKHFHSA-N 0 0 351.409 4.928 10 10 FJCERN Cc1ccc2cc(C3=C/C(=C\c4ccc5c(c4)OCO5)C(=O)O3)ccc2c1 ZINC000006883621 207174804 /nfs/dbraw/zinc/17/48/04/207174804.db2.gz LACSJFXSLOCICE-DJKKODMXSA-N 0 0 356.377 4.858 10 10 FJCERN Cc1cc(-c2ccc(C(=O)Nc3ccc(N)cc3)o2)ccc1Br ZINC000227157715 222889136 /nfs/dbraw/zinc/88/91/36/222889136.db2.gz HODDBIBWAGVKQM-UHFFFAOYSA-N 0 0 371.234 4.852 10 10 FJCERN COc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=N[C@H](C(C)C)N2)c1O ZINC000004730001 219601587 /nfs/dbraw/zinc/60/15/87/219601587.db2.gz GGUVEJQEEXOVQH-PXNSSMCTSA-N 0 0 358.869 4.560 10 10 FJCERN CCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1[N+](=O)[O-])N2 ZINC000005050262 219645564 /nfs/dbraw/zinc/64/55/64/219645564.db2.gz GCMQSOVOYOJAMC-BXTJHSDWSA-N 0 0 364.401 4.598 10 10 FJCERN O=C1N=C(Nc2cccc(O)c2)SC1=Cc1ccc(Cl)cc1Cl ZINC000016937616 207603944 /nfs/dbraw/zinc/60/39/44/207603944.db2.gz IHEIEAMCNIMGIS-NSIKDUERSA-N 0 0 365.241 4.781 10 10 FJCERN O=[N+]([O-])c1cccc([C@H]2Nc3c(cc(Cl)cc3[N+](=O)[O-])[C@@H]3C=CC[C@@H]32)c1 ZINC000032121330 208024955 /nfs/dbraw/zinc/02/49/55/208024955.db2.gz IMLKJBYYGJBCSS-JKIFEVAISA-N 0 0 371.780 4.983 10 10 FJCERN COC(=O)c1ccc2c(c1C)N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21 ZINC000001127400 570482134 /nfs/dbraw/zinc/48/21/34/570482134.db2.gz QTGKOXFXCBBNSZ-UWVAXJGDSA-N 0 0 364.401 4.516 10 10 FJCERN O=[N+]([O-])c1ccc(Cl)c([C@H]2Nc3c(cccc3[N+](=O)[O-])[C@@H]3C=CC[C@@H]32)c1 ZINC000005740889 570634837 /nfs/dbraw/zinc/63/48/37/570634837.db2.gz RHXVPJFEJHXWIX-PEBVRCNWSA-N 0 0 371.780 4.983 10 10 FJCERN Cc1ccc(O)c(CNc2cc(Br)ccc2Br)c1 ZINC000104049548 209258478 /nfs/dbraw/zinc/25/84/78/209258478.db2.gz CQQWTFMBIZDWIZ-UHFFFAOYSA-N 0 0 371.072 4.838 10 10 FJCERN CN=NNc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 ZINC000013527469 220072590 /nfs/dbraw/zinc/07/25/90/220072590.db2.gz MJYHECTVHQNNJE-UHFFFAOYSA-N 0 0 357.215 4.545 10 10 FJCERN CN(C)c1ccc(-c2nc3cc(NC(=O)Cc4ccccc4)ccc3o2)cc1 ZINC000005128174 207082900 /nfs/dbraw/zinc/08/29/00/207082900.db2.gz PHHDXXHNDQDMRG-UHFFFAOYSA-N 0 0 371.440 4.742 10 10 FJCERN CN(C)c1ccc(/C=C\C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1 ZINC000006392907 207139839 /nfs/dbraw/zinc/13/98/39/207139839.db2.gz CRYPYKDUSWBEOO-JKZISDCRSA-N 0 0 372.559 4.843 10 10 FJCERN [O-]c1ccc2c(Cc3ccc(Cl)cc3)noc2c1C[NH+]1CCCCC1 ZINC000041511109 208284720 /nfs/dbraw/zinc/28/47/20/208284720.db2.gz OZJKYVKAGJMQBJ-UHFFFAOYSA-N 0 0 356.853 4.764 10 10 FJCERN Ic1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccnc1)N2 ZINC000004810920 570607955 /nfs/dbraw/zinc/60/79/55/570607955.db2.gz CFRHLUTVPLEIPB-VBQJREDUSA-N 0 0 374.225 4.513 10 10 FJCERN CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(F)cc2)SC1=S ZINC000006757830 571245411 /nfs/dbraw/zinc/24/54/11/571245411.db2.gz APEIZJQFPHYVMF-BOPFTXTBSA-N 0 0 373.474 4.626 10 10 FJCERN COc1ccccc1N(C)Cc1cc2cc(Br)ccc2cc1O ZINC000098180982 209206334 /nfs/dbraw/zinc/20/63/34/209206334.db2.gz CXALBFPFQGVGTH-UHFFFAOYSA-N 0 0 372.262 4.953 10 10 FJCERN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OC(C)C ZINC000096193320 209131308 /nfs/dbraw/zinc/13/13/08/209131308.db2.gz NXWIMNVJOOKQJG-UYRXBGFRSA-N 0 0 364.445 4.679 10 10 FJCERN CCOc1cccc([C@@H]2CC(c3ccc(C)cc3)=N[C@H](C(C)C)N2)c1O ZINC000004729261 207043537 /nfs/dbraw/zinc/04/35/37/207043537.db2.gz ZWMJBHVHXABDMU-UGKGYDQZSA-N 0 0 352.478 4.605 10 10 FJCERN COc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=N[C@@H](C(C)C)N2)c1O ZINC000004730002 207043603 /nfs/dbraw/zinc/04/36/03/207043603.db2.gz GGUVEJQEEXOVQH-FXAWDEMLSA-N 0 0 358.869 4.560 10 10 FJCERN CC[C@@H](Nc1cccc(I)c1)c1ccccc1O ZINC000020478704 220328081 /nfs/dbraw/zinc/32/80/81/220328081.db2.gz IPSCTPZKGIWEKR-CQSZACIVSA-N 0 0 353.203 4.560 10 10 FJCERN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C/c1ccccc1 ZINC000100208259 222238903 /nfs/dbraw/zinc/23/89/03/222238903.db2.gz FFKFSTSDVXHOIV-XSFVSMFZSA-N 0 0 361.441 4.571 10 10 FJCERN CCCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1OCC ZINC000083331694 520320154 /nfs/dbraw/zinc/32/01/54/520320154.db2.gz 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/nfs/dbraw/zinc/34/80/41/220348041.db2.gz VYTZVCVJJXTBRZ-SFQUDFHCSA-N 0 0 358.393 4.838 10 10 FJCERN COc1ccc(NCc2ccc(N3CCCC[C@@H]3C)c([N+](=O)[O-])c2)cc1 ZINC000226241492 132374809 /nfs/dbraw/zinc/37/48/09/132374809.db2.gz CCXAKIZZHHWNER-HNNXBMFYSA-N 0 0 355.438 4.594 10 10 FJCERN Ic1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1cccnc1)N2 ZINC000001461979 570501037 /nfs/dbraw/zinc/50/10/37/570501037.db2.gz CFRHLUTVPLEIPB-GRDNDAEWSA-N 0 0 374.225 4.513 10 10 FJCERN COc1ccc(N[C@@H](c2ccncc2)c2ccc3cccnc3c2O)cc1 ZINC000027644704 571009826 /nfs/dbraw/zinc/00/98/26/571009826.db2.gz BDGXUWHJEXOCCX-FQEVSTJZSA-N 0 0 357.413 4.546 10 10 FJCERN