smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCC4=C(Cl)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000000608275 219305621 /nfs/dbraw/zinc/30/56/21/219305621.db2.gz XYGMEFJSKQEBTO-KYXNHBOGSA-N 0 0 364.913 5.017 50 30 in-vitro FKEARN COc1ccc(-c2cc(-c3ccc4ccccc4c3)nc(OC)c2C#N)cc1 ZINC000000624321 203935041 /nfs/dbraw/zinc/93/50/41/203935041.db2.gz CQBJNYFFWHEIRJ-UHFFFAOYSA-N 0 0 366.420 5.458 50 30 FKEARN N#CC[C@H](c1ccc(Cl)cc1)[C@@H](C#N)c1ccc(Br)cc1 ZINC000000624327 570439186 /nfs/dbraw/zinc/43/91/86/570439186.db2.gz ZPEQUTHPHFJCSU-SJORKVTESA-N 0 0 359.654 5.407 50 30 FKEARN N#CC[C@@H](c1ccc(Cl)cc1)[C@@H](C#N)c1ccc(Br)cc1 ZINC000000624330 570439278 /nfs/dbraw/zinc/43/92/78/570439278.db2.gz ZPEQUTHPHFJCSU-IRXDYDNUSA-N 0 0 359.654 5.407 50 30 FKEARN N#CC[C@H](c1ccc(Cl)cc1)[C@H](C#N)c1ccc(Br)cc1 ZINC000000624332 570439267 /nfs/dbraw/zinc/43/92/67/570439267.db2.gz ZPEQUTHPHFJCSU-IAGOWNOFSA-N 0 0 359.654 5.407 50 30 FKEARN N#CC[C@@H](c1ccc(Cl)cc1)[C@H](C#N)c1ccc(Br)cc1 ZINC000000624333 570439305 /nfs/dbraw/zinc/43/93/05/570439305.db2.gz ZPEQUTHPHFJCSU-DLBZAZTESA-N 0 0 359.654 5.407 50 30 FKEARN COc1ccccc1C(=O)C[C@@H](c1c(Cl)cccc1Cl)C(C#N)C#N ZINC000000624380 210252521 /nfs/dbraw/zinc/25/25/21/210252521.db2.gz QURJSORFVMIHQM-CQSZACIVSA-N 0 0 373.239 5.022 50 30 FKEARN COc1ccccc1C(=O)C[C@H](c1c(Cl)cccc1Cl)C(C#N)C#N ZINC000000624382 570439231 /nfs/dbraw/zinc/43/92/31/570439231.db2.gz QURJSORFVMIHQM-AWEZNQCLSA-N 0 0 373.239 5.022 50 30 FKEARN C=CCn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000000626081 571122847 /nfs/dbraw/zinc/12/28/47/571122847.db2.gz HLCBJLLDKKYYFP-UHFFFAOYSA-N 0 0 365.068 5.506 50 30 FKEARN CCc1nc(SCC(=O)c2ccc(Cl)cc2)c(C#N)c2c1CCCC2 ZINC000000626137 567874731 /nfs/dbraw/zinc/87/47/31/567874731.db2.gz SHTJVIIQMURCII-UHFFFAOYSA-N 0 0 370.905 5.023 50 30 FKEARN C=CCc1ccc(Oc2nc(C)nc3sc4c(c32)CCC4)c(OC)c1 ZINC000000628416 219306965 /nfs/dbraw/zinc/30/69/65/219306965.db2.gz LLSDURGVSPYUES-UHFFFAOYSA-N 0 0 352.459 5.018 50 30 FKEARN N#C[C@H]1c2ccccc2N(Cc2ccccc2)C=C1c1ccc2ccccc2n1 ZINC000000629277 526514893 /nfs/dbraw/zinc/51/48/93/526514893.db2.gz WEYFLEMJWWJQMC-QFIPXVFZSA-N 0 0 373.459 5.903 50 30 FKEARN N#C[C@@H]1c2ccccc2N(Cc2ccccc2)C=C1c1ccc2ccccc2n1 ZINC000000629279 526501508 /nfs/dbraw/zinc/50/15/08/526501508.db2.gz WEYFLEMJWWJQMC-JOCHJYFZSA-N 0 0 373.459 5.903 50 30 FKEARN COc1cccc(Oc2cc(C#N)c(C#N)cc2Oc2cccc(OC)c2)c1 ZINC000000629398 219306520 /nfs/dbraw/zinc/30/65/20/219306520.db2.gz XDTIWRIKAZJKIC-UHFFFAOYSA-N 0 0 372.380 5.032 50 30 FKEARN CCOc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)CC(C)(C)C2 ZINC000000630071 219306610 /nfs/dbraw/zinc/30/66/10/219306610.db2.gz UGGYEKBLBXEXPG-QFIPXVFZSA-N 0 0 362.473 5.307 50 30 FKEARN CCOc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)CC(C)(C)C2 ZINC000000630076 570440281 /nfs/dbraw/zinc/44/02/81/570440281.db2.gz UGGYEKBLBXEXPG-JOCHJYFZSA-N 0 0 362.473 5.307 50 30 FKEARN Cc1ccc(Nc2c3c(c(C#N)c4nc5ccccc5n42)CCC3)cc1C ZINC000000631173 203935461 /nfs/dbraw/zinc/93/54/61/203935461.db2.gz HGMWDDXFUSMXNP-UHFFFAOYSA-N 0 0 352.441 5.208 50 30 FKEARN CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(Cl)cc1 ZINC000000631174 571319102 /nfs/dbraw/zinc/31/91/02/571319102.db2.gz SHEKTRQOFSUQCU-UHFFFAOYSA-N 0 0 360.848 5.627 50 30 FKEARN Cc1c(C#N)c2nc3ccccc3n2c(Nc2ccc(F)cc2)c1C(C)C ZINC000000633690 219308003 /nfs/dbraw/zinc/30/80/03/219308003.db2.gz KWOJVOZVNWVJMQ-UHFFFAOYSA-N 0 0 358.420 5.674 50 30 FKEARN Cc1c(C#N)c2nc3ccccc3n2c(Nc2ccc(Cl)cc2)c1C(C)C ZINC000000634597 210255121 /nfs/dbraw/zinc/25/51/21/210255121.db2.gz GGXYFPXTVMBTNB-UHFFFAOYSA-N 0 0 374.875 6.188 50 30 FKEARN C=C(C)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1 ZINC000000634699 571123085 /nfs/dbraw/zinc/12/30/85/571123085.db2.gz UVOGGJFHCLCROI-UHFFFAOYSA-N 0 0 355.894 5.564 50 30 FKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2C1CCCCC1 ZINC000000635048 210255163 /nfs/dbraw/zinc/25/51/63/210255163.db2.gz XWKLNAJEARXDEW-UHFFFAOYSA-N 0 0 355.522 5.073 50 30 FKEARN Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1ccc(C)cc1C ZINC000000636680 206818754 /nfs/dbraw/zinc/81/87/54/206818754.db2.gz IENXKUVXELGJIV-UHFFFAOYSA-N 0 0 355.437 5.174 50 30 FKEARN Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000000636682 570441809 /nfs/dbraw/zinc/44/18/09/570441809.db2.gz UWCZWTUKOGOTBQ-UHFFFAOYSA-N 0 0 369.464 5.680 50 30 FKEARN Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1cc(C)ccc1C ZINC000000636701 219307587 /nfs/dbraw/zinc/30/75/87/219307587.db2.gz CTPXBLSYLHWAEI-UHFFFAOYSA-N 0 0 355.437 5.174 50 30 FKEARN O=C1c2ccccc2C(=O)C1=Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000000636706 219308020 /nfs/dbraw/zinc/30/80/20/219308020.db2.gz ZJCJOQOKGNFTFP-UHFFFAOYSA-N 0 0 369.203 5.716 50 30 FKEARN O=C(C=CNc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl ZINC000000638011 219307403 /nfs/dbraw/zinc/30/74/03/219307403.db2.gz XEKJOKZUVIBFIH-AATRIKPKSA-N 0 0 371.607 5.364 50 30 FKEARN Cc1cccc(Nc2c3c(c(C#N)c4nc5ccccc5n42)CCCC3)c1 ZINC000000638249 219307989 /nfs/dbraw/zinc/30/79/89/219307989.db2.gz AILVBTJDZREXGU-UHFFFAOYSA-N 0 0 352.441 5.290 50 30 FKEARN N#Cc1c2c(c(Nc3cccc(Cl)c3)n3c4ccccc4nc13)CCC2 ZINC000000639548 571319101 /nfs/dbraw/zinc/31/91/01/571319101.db2.gz NCPXTZISEKAPME-UHFFFAOYSA-N 0 0 358.832 5.245 50 30 FKEARN N#Cc1c2c(c(Nc3cccc4ccccc43)n3c4ccccc4nc13)CCC2 ZINC000000639552 219307613 /nfs/dbraw/zinc/30/76/13/219307613.db2.gz YISGUGLFDYLGIF-UHFFFAOYSA-N 0 0 374.447 5.745 50 30 FKEARN CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1cc(C)ccc1C ZINC000000639677 210254309 /nfs/dbraw/zinc/25/43/09/210254309.db2.gz IBQVYXUUOPRDEF-UHFFFAOYSA-N 0 0 354.457 5.590 50 30 FKEARN CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1cccc(Cl)c1 ZINC000000639680 210255213 /nfs/dbraw/zinc/25/52/13/210255213.db2.gz VWWNJWLHNGIILB-UHFFFAOYSA-N 0 0 360.848 5.627 50 30 FKEARN CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccccc1Cl ZINC000000639683 571319120 /nfs/dbraw/zinc/31/91/20/571319120.db2.gz NVUSDCWSXLXSMW-UHFFFAOYSA-N 0 0 360.848 5.627 50 30 FKEARN Cc1c2cccc1CSCc1c(C)c(c(C#N)c(C)c1C#N)CSC2 ZINC000000640065 206819630 /nfs/dbraw/zinc/81/96/30/206819630.db2.gz YOSCYSSQUSQQME-UHFFFAOYSA-N 0 0 364.539 5.535 50 30 FKEARN Cc1c2c(n3c4ccccc4nc3c1C#N)N(c1ccc(Cl)cc1)CC2 ZINC000000642431 571319116 /nfs/dbraw/zinc/31/91/16/571319116.db2.gz RLSHIPMJOSPBCL-UHFFFAOYSA-N 0 0 358.832 5.015 50 30 FKEARN O=C1c2ccccc2C(=O)C(Nc2ccc(Nc3ccccc3)cc2)=C1Cl ZINC000000642801 570443130 /nfs/dbraw/zinc/44/31/30/570443130.db2.gz BUDJJOFTUPGGEJ-UHFFFAOYSA-N 0 0 374.827 5.372 50 30 FKEARN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccccc1 ZINC000000644102 570443503 /nfs/dbraw/zinc/44/35/03/570443503.db2.gz XAOSWMJJLWRIBT-UHFFFAOYSA-N 0 0 350.458 5.087 50 30 FKEARN O=C1c2ccccc2C(=O)C1=Cc1ccc(Sc2ccc(Cl)cc2)o1 ZINC000000645935 210256105 /nfs/dbraw/zinc/25/61/05/210256105.db2.gz HVPONMCGINIUOW-UHFFFAOYSA-N 0 0 366.825 5.547 50 30 FKEARN Cc1cc(-c2ccc(/C=C3\Sc4ccccc4C3=O)o2)ccc1Cl ZINC000000647220 209374601 /nfs/dbraw/zinc/37/46/01/209374601.db2.gz MBQCPKZENIXIEZ-ODLFYWEKSA-N 0 0 352.842 6.238 50 30 FKEARN COc1ccc(/C=N/c2ccc(C)c(Br)c2)c2ccccc12 ZINC000000647467 203938023 /nfs/dbraw/zinc/93/80/23/203938023.db2.gz GGQKIMSWTXNFEC-CIAFOILYSA-N 0 0 354.247 5.670 50 30 FKEARN CCC[C@H]1CCc2c(C#N)c(NC(=O)CCCc3ccccc3)sc2C1 ZINC000000649573 571319110 /nfs/dbraw/zinc/31/91/10/571319110.db2.gz JKYLLVBQYDTSAT-KRWDZBQOSA-N 0 0 366.530 5.486 50 30 FKEARN CCC[C@@H]1CCc2c(C#N)c(NC(=O)CCCc3ccccc3)sc2C1 ZINC000000649574 571319088 /nfs/dbraw/zinc/31/90/88/571319088.db2.gz JKYLLVBQYDTSAT-QGZVFWFLSA-N 0 0 366.530 5.486 50 30 FKEARN O=[N+]([O-])c1ccc(Cl)c(/C=N/c2ccc(Br)c(Cl)c2)c1 ZINC000000652059 206821245 /nfs/dbraw/zinc/82/12/45/206821245.db2.gz ZQKLJUSUKOYRAZ-REZTVBANSA-N 0 0 374.021 5.415 50 30 FKEARN C=CCn1c(C)c(C=C2SC(Nc3ccccc3)=NC2=O)c2ccccc21 ZINC000000654807 209374844 /nfs/dbraw/zinc/37/48/44/209374844.db2.gz WXQZTCXBFUFCLV-XSFVSMFZSA-N 0 0 373.481 5.218 50 30 FKEARN Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)N=C3c4ccccc4C(=O)[C@@H]32)cc1 ZINC000000655648 219310298 /nfs/dbraw/zinc/31/02/98/219310298.db2.gz NCWZIVGNXOOUHR-IFMALSPDSA-N 0 0 369.464 5.037 50 30 FKEARN Cc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)N=C3c4ccccc4C(=O)[C@@H]32)cc1 ZINC000000655650 219310150 /nfs/dbraw/zinc/31/01/50/219310150.db2.gz NCWZIVGNXOOUHR-RBBKRZOGSA-N 0 0 369.464 5.037 50 30 FKEARN Cc1cccc([C@@H]2C3=C(CC(C)(C)CC3=O)N=C3c4ccccc4C(=O)[C@@H]32)c1 ZINC000000655653 210257536 /nfs/dbraw/zinc/25/75/36/210257536.db2.gz JMGYMTPWXNAQKQ-IFMALSPDSA-N 0 0 369.464 5.037 50 30 FKEARN Cc1cccc([C@H]2C3=C(CC(C)(C)CC3=O)N=C3c4ccccc4C(=O)[C@@H]32)c1 ZINC000000655655 570444660 /nfs/dbraw/zinc/44/46/60/570444660.db2.gz JMGYMTPWXNAQKQ-RBBKRZOGSA-N 0 0 369.464 5.037 50 30 FKEARN COc1ccc(Cl)cc1C(=O)Nc1sc2c(c1C#N)CCCCCC2 ZINC000000656841 571319113 /nfs/dbraw/zinc/31/91/13/571319113.db2.gz DNYGPBQONNLTIK-UHFFFAOYSA-N 0 0 374.893 5.193 50 30 FKEARN CC(=O)Nc1ccc(NC=CC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000000658418 263141467 /nfs/dbraw/zinc/14/14/67/263141467.db2.gz UYXZSFLUIKBBGD-FOCLMDBBSA-N 0 0 356.425 5.121 50 30 FKEARN O=C1CCCC2=C1C(c1ccc(-c3ccccc3)cc1)C1=C(CCCC1=O)O2 ZINC000000659167 219310563 /nfs/dbraw/zinc/31/05/63/219310563.db2.gz SALIOUFSLBPJAM-UHFFFAOYSA-N 0 0 370.448 5.482 50 30 FKEARN Cc1ccsc1[C@@H]1Nc2ccc3ccccc3c2C2=C1C(=O)CC(C)(C)C2 ZINC000000659280 219310657 /nfs/dbraw/zinc/31/06/57/219310657.db2.gz JQZKPSQIQWWCHN-JOCHJYFZSA-N 0 0 373.521 6.519 50 30 FKEARN Cc1ccsc1[C@H]1Nc2ccc3ccccc3c2C2=C1C(=O)CC(C)(C)C2 ZINC000000659282 210257304 /nfs/dbraw/zinc/25/73/04/210257304.db2.gz JQZKPSQIQWWCHN-QFIPXVFZSA-N 0 0 373.521 6.519 50 30 FKEARN CC(C)c1ccc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CCC3)cc1 ZINC000000659347 210258439 /nfs/dbraw/zinc/25/84/39/210258439.db2.gz XOUXEPKPLPTARP-VWLOTQADSA-N 0 0 368.480 6.032 50 30 FKEARN CC(C)c1ccc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CCC3)cc1 ZINC000000659350 219310653 /nfs/dbraw/zinc/31/06/53/219310653.db2.gz XOUXEPKPLPTARP-RUZDIDTESA-N 0 0 368.480 6.032 50 30 FKEARN O=C1c2ccccc2C2=C1c1c(ccc3ccccc31)N[C@@H]2c1ccccn1 ZINC000000659353 203939376 /nfs/dbraw/zinc/93/93/76/203939376.db2.gz JWEINFGVJDAAFW-XMMPIXPASA-N 0 0 360.416 5.509 50 30 FKEARN O=C1c2ccccc2C2=C1c1c(ccc3ccccc31)N[C@H]2c1ccccn1 ZINC000000659356 210257357 /nfs/dbraw/zinc/25/73/57/210257357.db2.gz JWEINFGVJDAAFW-DEOSSOPVSA-N 0 0 360.416 5.509 50 30 FKEARN C=C[C@H]1Oc2ccccc2NC12C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2 ZINC000000662817 570445411 /nfs/dbraw/zinc/44/54/11/570445411.db2.gz LJKUYZCJHAKODU-LJQANCHMSA-N 0 0 351.490 5.312 50 30 FKEARN C=C[C@@H]1Oc2ccccc2NC12C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2 ZINC000000662819 219310649 /nfs/dbraw/zinc/31/06/49/219310649.db2.gz LJKUYZCJHAKODU-IBGZPJMESA-N 0 0 351.490 5.312 50 30 FKEARN N#Cc1sc2nc(-c3cccs3)cc(-c3ccc(Cl)cc3)c2c1N ZINC000000663442 219310179 /nfs/dbraw/zinc/31/01/79/219310179.db2.gz NXPLOWTYCPHLMP-UHFFFAOYSA-N 0 0 367.886 5.799 50 30 FKEARN COc1ccc(-c2cc(-c3cccs3)nc3sc(C#N)c(N)c32)cc1 ZINC000000663445 571319084 /nfs/dbraw/zinc/31/90/84/571319084.db2.gz ZTTSQECXVUXHNL-UHFFFAOYSA-N 0 0 363.467 5.154 50 30 aggregator FKEARN N#Cc1c(C(F)(F)F)cc(C2CC2)nc1SCc1cccc(F)c1 ZINC000000663814 206821101 /nfs/dbraw/zinc/82/11/01/206821101.db2.gz FPRGSWDRSVHBHX-UHFFFAOYSA-N 0 0 352.356 5.281 50 30 FKEARN CCc1nc(SCc2ccccc2Cl)c(C#N)c(C(F)(F)F)c1C ZINC000000663875 210260137 /nfs/dbraw/zinc/26/01/37/210260137.db2.gz XACDEUPUHRKGRB-UHFFFAOYSA-N 0 0 370.827 5.789 50 30 FKEARN CCc1nc(SCc2cccc(F)c2)c(C#N)c(C(F)(F)F)c1C ZINC000000663876 210259426 /nfs/dbraw/zinc/25/94/26/210259426.db2.gz MDGLLOQQMZHIFT-UHFFFAOYSA-N 0 0 354.372 5.274 50 30 FKEARN Cc1cc(-c2cccs2)c(C#N)c(SCc2ccc(Cl)nc2)n1 ZINC000000664229 210260307 /nfs/dbraw/zinc/26/03/07/210260307.db2.gz RHEGLVLSHDTYQB-UHFFFAOYSA-N 0 0 357.891 5.331 50 30 FKEARN N#Cc1c(C(F)(F)F)cc(C2CC2)nc1SCc1nc2ccccc2[nH]1 ZINC000000664812 210260257 /nfs/dbraw/zinc/26/02/57/210260257.db2.gz LJZVPDSZDANFRZ-UHFFFAOYSA-N 0 0 374.391 5.018 50 30 FKEARN Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000000665270 570445405 /nfs/dbraw/zinc/44/54/05/570445405.db2.gz KALAJNNEXAQCCH-UHFFFAOYSA-N 0 0 355.437 5.174 50 30 FKEARN Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000000665383 203940207 /nfs/dbraw/zinc/94/02/07/203940207.db2.gz YLZBWTIDDFTLEU-UHFFFAOYSA-N 0 0 355.437 5.174 50 30 FKEARN N#Cc1ccccc1CSc1nnc(-c2cccs2)n1-c1ccccc1 ZINC000000667081 219311691 /nfs/dbraw/zinc/31/16/91/219311691.db2.gz QADNIJBHOIRLCG-UHFFFAOYSA-N 0 0 374.494 5.160 50 30 FKEARN Cc1[nH]c2ccccc2c1/C=N/c1ccc(C)c(I)c1 ZINC000000668188 219311461 /nfs/dbraw/zinc/31/14/61/219311461.db2.gz NYROBCNTXXOACE-VXLYETTFSA-N 0 0 374.225 5.140 50 30 FKEARN Cc1ccc(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1Br ZINC000000668302 570445847 /nfs/dbraw/zinc/44/58/47/570445847.db2.gz QUXJYFJZKYFHSY-CAOOACKPSA-N 0 0 353.603 5.070 50 30 FKEARN CCc1c(C)sc(NC(=O)C2c3ccccc3Oc3ccccc32)c1C#N ZINC000000669374 219311680 /nfs/dbraw/zinc/31/16/80/219311680.db2.gz YDNDLFOXTGVHIB-UHFFFAOYSA-N 0 0 374.465 5.367 50 30 FKEARN CCc1c(C)sc(NC(=O)C(c2ccccc2)c2ccccc2)c1C#N ZINC000000669471 203940469 /nfs/dbraw/zinc/94/04/69/203940469.db2.gz HKFGSCKWJOUQOB-UHFFFAOYSA-N 0 0 360.482 5.261 50 30 FKEARN O=C(Nc1ccccc1)c1ccccc1/N=C/c1cccc2ccccc12 ZINC000000670295 210258950 /nfs/dbraw/zinc/25/89/50/210258950.db2.gz SBLKLSRQAFTLLR-KOEQRZSOSA-N 0 0 350.421 5.843 50 30 FKEARN C=CCN(CC=C)C(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000000670813 219311635 /nfs/dbraw/zinc/31/16/35/219311635.db2.gz VJDFHXXUOVHNLL-UHFFFAOYSA-N 0 0 362.860 5.369 50 30 FKEARN FC(F)(F)Oc1ccc(/N=C/c2ccc(Br)s2)cc1 ZINC000000671864 210261181 /nfs/dbraw/zinc/26/11/81/210261181.db2.gz BMNSPMPBFKXKTK-REZTVBANSA-N 0 0 350.159 5.160 50 30 FKEARN Cc1c(Cc2ccccc2)sc(/N=C/c2ccc(Cl)cc2)c1C(N)=O ZINC000000671964 206823234 /nfs/dbraw/zinc/82/32/34/206823234.db2.gz WTAHUHPJGSMHOB-FSJBWODESA-N 0 0 368.889 5.150 50 30 FKEARN CCn1c2ccccc2c2cc(/C=N/c3ccc(C(=O)OC)cc3)ccc21 ZINC000000672088 570446656 /nfs/dbraw/zinc/44/66/56/570446656.db2.gz NYWLDPVSBIVGIP-BUVRLJJBSA-N 0 0 356.425 5.352 50 30 FKEARN COc1ccc([C@@H]2Nc3cc(C)ccc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000672245 219311686 /nfs/dbraw/zinc/31/16/86/219311686.db2.gz NORBYHLKYVGTTQ-QFIPXVFZSA-N 0 0 362.473 5.226 50 30 FKEARN COc1ccc([C@H]2Nc3cc(C)ccc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000672249 203940684 /nfs/dbraw/zinc/94/06/84/203940684.db2.gz NORBYHLKYVGTTQ-JOCHJYFZSA-N 0 0 362.473 5.226 50 30 FKEARN Cc1ccc2c(c1)N[C@@H](c1ccccc1Cl)C1=C(CC(C)(C)CC1=O)N2 ZINC000000672446 210261504 /nfs/dbraw/zinc/26/15/04/210261504.db2.gz IJMYVYYYYRIKRS-NRFANRHFSA-N 0 0 366.892 5.870 50 30 FKEARN Cc1ccc2c(c1)N[C@H](c1ccccc1Cl)C1=C(CC(C)(C)CC1=O)N2 ZINC000000672448 219311428 /nfs/dbraw/zinc/31/14/28/219311428.db2.gz IJMYVYYYYRIKRS-OAQYLSRUSA-N 0 0 366.892 5.870 50 30 FKEARN CCn1c2ccccc2c2cc(/C=N/NC(=S)Nc3ccccc3)ccc21 ZINC000000672710 210261247 /nfs/dbraw/zinc/26/12/47/210261247.db2.gz LSMPQVMLMWPCQA-HZHRSRAPSA-N 0 0 372.497 5.135 50 30 FKEARN N#Cc1c(NC(=O)c2sc3ccccc3c2Cl)sc2c1CCCC2 ZINC000000675799 571319082 /nfs/dbraw/zinc/31/90/82/571319082.db2.gz YVVVUCJZQMRNBJ-UHFFFAOYSA-N 0 0 372.902 5.619 50 30 FKEARN N#Cc1c(NC(=O)c2ccc(Cl)c(Cl)c2)sc2c1CCCC2 ZINC000000675860 571319114 /nfs/dbraw/zinc/31/91/14/571319114.db2.gz TWEMFWJQISWHNS-UHFFFAOYSA-N 0 0 351.258 5.058 50 30 FKEARN O=c1[nH]c2ccc(/N=C/c3ccc(-c4cccc(Cl)c4Cl)o3)cc2[nH]1 ZINC000000676920 570447864 /nfs/dbraw/zinc/44/78/64/570447864.db2.gz PDFXXHDNVFRSFF-ZVBGSRNCSA-N 0 0 372.211 5.174 50 30 FKEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3ccc(C(C)(C)C)cc3)sc2C1 ZINC000000677344 571319103 /nfs/dbraw/zinc/31/91/03/571319103.db2.gz ZKWDKRJPRWGQIC-ZDUSSCGKSA-N 0 0 352.503 5.294 50 30 FKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3ccc(C(C)(C)C)cc3)sc2C1 ZINC000000677345 571319079 /nfs/dbraw/zinc/31/90/79/571319079.db2.gz ZKWDKRJPRWGQIC-CYBMUJFWSA-N 0 0 352.503 5.294 50 30 FKEARN O=C1CCCC2=C1c1c(ccc3ccccc31)N[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000000677603 570447656 /nfs/dbraw/zinc/44/76/56/570447656.db2.gz KYFRHKGBIUXBGP-HSZRJFAPSA-N 0 0 370.408 5.421 50 30 FKEARN O=C1CCCC2=C1c1c(ccc3ccccc31)N[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000000677605 570447701 /nfs/dbraw/zinc/44/77/01/570447701.db2.gz KYFRHKGBIUXBGP-QHCPKHFHSA-N 0 0 370.408 5.421 50 30 FKEARN O=C1CCCC2=C1c1c(ccc3ccccc31)N[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000000677609 210261913 /nfs/dbraw/zinc/26/19/13/210261913.db2.gz HNMMTZYQKDAKND-HSZRJFAPSA-N 0 0 370.408 5.421 50 30 FKEARN O=C1CCCC2=C1c1c(ccc3ccccc31)N[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000000677610 210261818 /nfs/dbraw/zinc/26/18/18/210261818.db2.gz HNMMTZYQKDAKND-QHCPKHFHSA-N 0 0 370.408 5.421 50 30 FKEARN O=C1CCCC2=C1c1c(ccc3ccccc31)N[C@@H]2c1ccccc1[N+](=O)[O-] ZINC000000677612 570447764 /nfs/dbraw/zinc/44/77/64/570447764.db2.gz OMHJXCWXMPLCMC-HSZRJFAPSA-N 0 0 370.408 5.421 50 30 FKEARN O=C1CCCC2=C1c1c(ccc3ccccc31)N[C@H]2c1ccccc1[N+](=O)[O-] ZINC000000677614 570447821 /nfs/dbraw/zinc/44/78/21/570447821.db2.gz OMHJXCWXMPLCMC-QHCPKHFHSA-N 0 0 370.408 5.421 50 30 FKEARN COc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2CCCC3=O)cc1 ZINC000000677796 210261784 /nfs/dbraw/zinc/26/17/84/210261784.db2.gz SBZOGBBZIOWZTK-DEOSSOPVSA-N 0 0 355.437 5.522 50 30 FKEARN COc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2CCCC3=O)cc1 ZINC000000677798 203941652 /nfs/dbraw/zinc/94/16/52/203941652.db2.gz SBZOGBBZIOWZTK-XMMPIXPASA-N 0 0 355.437 5.522 50 30 FKEARN Cc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)o1 ZINC000000678445 206824167 /nfs/dbraw/zinc/82/41/67/206824167.db2.gz CRRDAXPCCFEKBN-QHCPKHFHSA-N 0 0 357.453 6.051 50 30 FKEARN Cc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)o1 ZINC000000678448 570448231 /nfs/dbraw/zinc/44/82/31/570448231.db2.gz CRRDAXPCCFEKBN-HSZRJFAPSA-N 0 0 357.453 6.051 50 30 FKEARN N#Cc1ccc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)c(F)c1 ZINC000000678649 571319126 /nfs/dbraw/zinc/31/91/26/571319126.db2.gz HSRGLVMDTKMFHP-UHFFFAOYSA-N 0 0 366.779 5.395 50 30 FKEARN Cc1ccc(-c2cc(C(=O)Oc3ccc(C#N)cc3)c3ccccc3n2)cc1 ZINC000000679094 203941358 /nfs/dbraw/zinc/94/13/58/203941358.db2.gz GCZILOVICFMMPT-UHFFFAOYSA-N 0 0 364.404 5.301 50 30 FKEARN CCOc1ccc(/N=C/c2cccc(OC)c2OCc2ccccc2)cc1 ZINC000000680974 570448896 /nfs/dbraw/zinc/44/88/96/570448896.db2.gz SCGMJXAONHKUCQ-LFVJCYFKSA-N 0 0 361.441 5.424 50 30 FKEARN CCOc1cc(/C=N/c2ccccc2OC)ccc1OCc1ccccc1 ZINC000000680976 570448862 /nfs/dbraw/zinc/44/88/62/570448862.db2.gz UVIPZRDVULNBRO-LFVJCYFKSA-N 0 0 361.441 5.424 50 30 FKEARN COc1ccc(/N=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 ZINC000000680995 570448863 /nfs/dbraw/zinc/44/88/63/570448863.db2.gz XEHPYPPYIVCICO-ZVHZXABRSA-N 0 0 365.404 5.173 50 30 FKEARN COc1ccc(/N=C/c2ccc(OCc3ccccc3F)c(OC)c2)cc1 ZINC000000680997 570448873 /nfs/dbraw/zinc/44/88/73/570448873.db2.gz AJWXIKQZFFZBKF-ZVHZXABRSA-N 0 0 365.404 5.173 50 30 FKEARN Cc1ccc(/C=N/c2ccc(NC(=O)c3ccccc3Cl)cc2)s1 ZINC000000681024 570448871 /nfs/dbraw/zinc/44/88/71/570448871.db2.gz OYEHGGGDBVWCJS-CIAFOILYSA-N 0 0 354.862 5.713 50 30 FKEARN CCOc1ccc(/C=N/c2ccc3oc(-c4ccc(C)cc4)nc3c2)cc1 ZINC000000681028 570448855 /nfs/dbraw/zinc/44/88/55/570448855.db2.gz JYFYTKKZAPLQCY-BUVRLJJBSA-N 0 0 356.425 5.953 50 30 FKEARN CN1C2=C(C(=O)CC(C)(C)C2)C(c2cccs2)C2=C1CC(C)(C)CC2=O ZINC000000681671 568084940 /nfs/dbraw/zinc/08/49/40/568084940.db2.gz MWOKPHSZCKSYOP-UHFFFAOYSA-N 0 0 369.530 5.064 50 30 FKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3cccc(F)c3)sc2C1 ZINC000000682832 219313340 /nfs/dbraw/zinc/31/33/40/219313340.db2.gz DFSPHVGLPRNBSG-ZDUSSCGKSA-N 0 0 356.466 5.162 50 30 FKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3cccc(F)c3)sc2C1 ZINC000000682833 571319095 /nfs/dbraw/zinc/31/90/95/571319095.db2.gz DFSPHVGLPRNBSG-CYBMUJFWSA-N 0 0 356.466 5.162 50 30 FKEARN CCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000682859 570449706 /nfs/dbraw/zinc/44/97/06/570449706.db2.gz ZAEQLXSBCPQHLU-QFIPXVFZSA-N 0 0 362.473 5.307 50 30 FKEARN CCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000682860 219313861 /nfs/dbraw/zinc/31/38/61/219313861.db2.gz ZAEQLXSBCPQHLU-JOCHJYFZSA-N 0 0 362.473 5.307 50 30 FKEARN O=C1SC(SCc2ccccc2Cl)=N/C1=C/C=C/c1ccco1 ZINC000000684824 568088417 /nfs/dbraw/zinc/08/84/17/568088417.db2.gz ZVQUNVRAIVRWQY-AYRRQIOMSA-N 0 0 361.875 5.393 50 30 FKEARN Cc1sc(NC(=O)Nc2ccc(Cl)cc2)c(C#N)c1-c1ccccc1 ZINC000000685877 571319138 /nfs/dbraw/zinc/31/91/38/571319138.db2.gz KOWSXXWTPSGJOY-UHFFFAOYSA-N 0 0 367.861 5.893 50 30 FKEARN COc1cc(/C=C2/Sc3ccccc3C2=O)ccc1OCCC(C)C ZINC000000686949 568089363 /nfs/dbraw/zinc/08/93/63/568089363.db2.gz WCBHQLKRDUPTMO-DEDYPNTBSA-N 0 0 354.471 5.450 50 30 FKEARN N#Cc1c(NC(=O)c2ccc(Cl)c(Cl)c2)sc2c1CCCCC2 ZINC000000687033 571319098 /nfs/dbraw/zinc/31/90/98/571319098.db2.gz SLLMFVHWAFMJIH-UHFFFAOYSA-N 0 0 365.285 5.448 50 30 FKEARN N#Cc1c(NC(=O)c2ccc(Cl)cc2Cl)sc2c1CCCCC2 ZINC000000687064 571319112 /nfs/dbraw/zinc/31/91/12/571319112.db2.gz AITQVKGMKMLBLZ-UHFFFAOYSA-N 0 0 365.285 5.448 50 30 FKEARN O=C1C=C(Nc2ccccc2Oc2ccccc2)C[C@@H](c2ccccc2)C1 ZINC000000688717 219314673 /nfs/dbraw/zinc/31/46/73/219314673.db2.gz QQCHBWYAEFSFIG-LJQANCHMSA-N 0 0 355.437 5.921 50 30 FKEARN Cc1ccsc1C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000000696125 571319143 /nfs/dbraw/zinc/31/91/43/571319143.db2.gz MBSNQXNRDRIXNN-LBPRGKRZSA-N 0 0 358.532 5.393 50 30 FKEARN Cc1ccsc1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000000696126 219314583 /nfs/dbraw/zinc/31/45/83/219314583.db2.gz MBSNQXNRDRIXNN-GFCCVEGCSA-N 0 0 358.532 5.393 50 30 FKEARN C=CCn1c2c(c(=S)nc1-c1ccc(Br)cc1)CCCC2 ZINC000000702859 203859914 /nfs/dbraw/zinc/85/99/14/203859914.db2.gz PZADVTWYZDPYPA-UHFFFAOYSA-N 0 0 361.308 5.107 50 30 FKEARN O=C(C=C1C=C(c2cccs2)OC(c2cccs2)=C1)c1ccccc1 ZINC000000704096 570451279 /nfs/dbraw/zinc/45/12/79/570451279.db2.gz BMRZUEKKPWFYFV-UHFFFAOYSA-N 0 0 362.475 6.031 50 30 FKEARN COc1ccc(C(=O)Oc2ccccc2/C=N/c2ccc(Cl)cc2)cc1 ZINC000000704568 570451258 /nfs/dbraw/zinc/45/12/58/570451258.db2.gz ROTQELREBYTHLO-OEAKJJBVSA-N 0 0 365.816 5.318 50 30 FKEARN Cc1ccc2nc(-c3cccc(/N=C/c4cc(Cl)ccc4O)c3)oc2c1 ZINC000000704669 210262303 /nfs/dbraw/zinc/26/23/03/210262303.db2.gz JNWOYMXOCBCKPI-FSJBWODESA-N 0 0 362.816 5.913 50 30 FKEARN CCc1c(C)c(C#N)c2nc3ccccc3n2c1N[C@@H](C)c1ccccc1 ZINC000000704837 568102507 /nfs/dbraw/zinc/10/25/07/568102507.db2.gz GKDSBLSSIPWWIP-INIZCTEOSA-N 0 0 354.457 5.403 50 30 FKEARN CCc1c(C)c(C#N)c2nc3ccccc3n2c1N[C@H](C)c1ccccc1 ZINC000000704838 568102554 /nfs/dbraw/zinc/10/25/54/568102554.db2.gz GKDSBLSSIPWWIP-MRXNPFEDSA-N 0 0 354.457 5.403 50 30 FKEARN C[C@H]1CCc2c(C#N)c(/N=C/c3ccc(-c4cccs4)s3)sc2C1 ZINC000000705018 568102555 /nfs/dbraw/zinc/10/25/55/568102555.db2.gz ZUXDMXPEIZYFKM-OVMKCGGTSA-N 0 0 368.552 6.285 50 30 FKEARN C[C@@H]1CCc2c(C#N)c(/N=C/c3ccc(-c4cccs4)s3)sc2C1 ZINC000000705020 568102558 /nfs/dbraw/zinc/10/25/58/568102558.db2.gz ZUXDMXPEIZYFKM-KIHMUJGBSA-N 0 0 368.552 6.285 50 30 FKEARN Cc1cccc(C2(c3cccc(C)c3)C[C@H]2C(=O)Nc2ccc(C#N)cc2)c1 ZINC000000705208 210262964 /nfs/dbraw/zinc/26/29/64/210262964.db2.gz NRJXVSKKLFBEBW-QHCPKHFHSA-N 0 0 366.464 5.120 50 30 FKEARN Cc1cccc(C2(c3cccc(C)c3)C[C@@H]2C(=O)Nc2ccc(C#N)cc2)c1 ZINC000000705209 203943535 /nfs/dbraw/zinc/94/35/35/203943535.db2.gz NRJXVSKKLFBEBW-HSZRJFAPSA-N 0 0 366.464 5.120 50 30 FKEARN Cc1cc(-c2ccc(/N=C/c3ccc[nH]3)c(C)c2)ccc1/N=C/c1ccc[nH]1 ZINC000000705210 568107233 /nfs/dbraw/zinc/10/72/33/568107233.db2.gz AAYJHBBVEPHFMD-DPCVLPDWSA-N 0 0 366.468 6.128 50 30 FKEARN N#Cc1ccc(-c2cccnc2)nc1SCc1ccc(Cl)cc1Cl ZINC000000706766 210264425 /nfs/dbraw/zinc/26/44/25/210264425.db2.gz GIFPQFCSKQJKRC-UHFFFAOYSA-N 0 0 372.280 5.614 50 30 FKEARN N#Cc1c(NC(=O)c2sc3ccccc3c2Cl)sc2c1CCC2 ZINC000000707180 219314877 /nfs/dbraw/zinc/31/48/77/219314877.db2.gz VPNACIKOBYAJKG-UHFFFAOYSA-N 0 0 358.875 5.229 50 30 FKEARN Cc1c(Cl)cccc1-c1ccc(/C=C2/Sc3ccccc3C2=O)o1 ZINC000000708254 209374005 /nfs/dbraw/zinc/37/40/05/209374005.db2.gz QZMOOCJNJOALKT-YBFXNURJSA-N 0 0 352.842 6.238 50 30 FKEARN C/C(=N\OCC(=O)Nc1c(C(C)C)cccc1C(C)C)c1cccs1 ZINC000000709130 570451637 /nfs/dbraw/zinc/45/16/37/570451637.db2.gz DQBHHDSAYLGYRT-PXLXIMEGSA-N 0 0 358.507 5.374 50 30 FKEARN O=C1CCCC2=C1[C@H](c1cccc(Cl)c1)Nc1ccc3ncccc3c12 ZINC000000709483 219314988 /nfs/dbraw/zinc/31/49/88/219314988.db2.gz XRBWFJQXVAVDGZ-QFIPXVFZSA-N 0 0 360.844 5.562 50 30 FKEARN O=C1CCCC2=C1[C@@H](c1cccc(Cl)c1)Nc1ccc3ncccc3c12 ZINC000000709484 210264695 /nfs/dbraw/zinc/26/46/95/210264695.db2.gz XRBWFJQXVAVDGZ-JOCHJYFZSA-N 0 0 360.844 5.562 50 30 FKEARN N#Cc1c(NC(=O)Cc2cccc3ccccc32)sc2c1CCCCC2 ZINC000000710279 219316644 /nfs/dbraw/zinc/31/66/44/219316644.db2.gz JKDSQMRRAGAGIU-UHFFFAOYSA-N 0 0 360.482 5.223 50 30 FKEARN CCOc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)cc1 ZINC000000710655 219316523 /nfs/dbraw/zinc/31/65/23/219316523.db2.gz NURCMHQWKQQQOI-VWLOTQADSA-N 0 0 369.464 5.912 50 30 FKEARN CCOc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)cc1 ZINC000000710656 219316410 /nfs/dbraw/zinc/31/64/10/219316410.db2.gz NURCMHQWKQQQOI-RUZDIDTESA-N 0 0 369.464 5.912 50 30 FKEARN Oc1ccc2ccccc2c1/C=N/c1cccc(-c2nc3ccccc3o2)c1 ZINC000000710962 570452110 /nfs/dbraw/zinc/45/21/10/570452110.db2.gz VFPGZBNACZSLPA-MFKUBSTISA-N 0 0 364.404 6.104 50 30 FKEARN Cc1cc(-c2ccc(/N=C/c3ccco3)c(C)c2)ccc1/N=C/c1ccco1 ZINC000000711007 203945318 /nfs/dbraw/zinc/94/53/18/203945318.db2.gz VFCCDPSXYIUNNR-RYQLWAFASA-N 0 0 368.436 6.658 50 30 FKEARN O=C(Nc1ccc(/N=C/c2c(O)cccc2Cl)cc1)c1ccc(F)cc1 ZINC000000711047 210264598 /nfs/dbraw/zinc/26/45/98/210264598.db2.gz IQBYLKLKAQQDAA-FSJBWODESA-N 0 0 368.795 5.188 50 30 FKEARN O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1)Nc1ccc3ccccc3c12 ZINC000000711181 219316736 /nfs/dbraw/zinc/31/67/36/219316736.db2.gz YKZAVHLZSIQPTR-HSZRJFAPSA-N 0 0 359.856 6.167 50 30 FKEARN O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1)Nc1ccc3ccccc3c12 ZINC000000711182 219316599 /nfs/dbraw/zinc/31/65/99/219316599.db2.gz YKZAVHLZSIQPTR-QHCPKHFHSA-N 0 0 359.856 6.167 50 30 FKEARN O=C1CCCC2=C1[C@@H](c1ccc3c(c1)OCO3)Nc1ccc3ccccc3c12 ZINC000000711187 568122630 /nfs/dbraw/zinc/12/26/30/568122630.db2.gz KXLPRLARGJJIRQ-XMMPIXPASA-N 0 0 369.420 5.242 50 30 FKEARN O=C1CCCC2=C1[C@H](c1ccc3c(c1)OCO3)Nc1ccc3ccccc3c12 ZINC000000711188 219316019 /nfs/dbraw/zinc/31/60/19/219316019.db2.gz KXLPRLARGJJIRQ-DEOSSOPVSA-N 0 0 369.420 5.242 50 30 FKEARN O=C1CCCC2=C1[C@@H](c1cccc([N+](=O)[O-])c1)Nc1ccc3ccccc3c12 ZINC000000711195 219315980 /nfs/dbraw/zinc/31/59/80/219315980.db2.gz DFVAIDXEMCSXKN-HSZRJFAPSA-N 0 0 370.408 5.421 50 30 FKEARN O=C1CCCC2=C1[C@H](c1cccc([N+](=O)[O-])c1)Nc1ccc3ccccc3c12 ZINC000000711196 210264617 /nfs/dbraw/zinc/26/46/17/210264617.db2.gz DFVAIDXEMCSXKN-QHCPKHFHSA-N 0 0 370.408 5.421 50 30 FKEARN COc1ccc(-c2nc3cc(/N=C/c4ccccc4Cl)ccc3o2)cc1 ZINC000000711213 570452118 /nfs/dbraw/zinc/45/21/18/570452118.db2.gz XSPPPNZLXILRSK-YDZHTSKRSA-N 0 0 362.816 5.907 50 30 FKEARN COc1cccc(/C=N/c2ccc(-c3nc4ccc(C)cc4o3)cc2)c1O ZINC000000711426 210264096 /nfs/dbraw/zinc/26/40/96/210264096.db2.gz ZEUVOCAODZKNTL-YDZHTSKRSA-N 0 0 358.397 5.268 50 30 FKEARN Cc1cccc(-c2nc3cc(/N=C/c4ccccc4[N+](=O)[O-])ccc3o2)c1 ZINC000000711458 219316762 /nfs/dbraw/zinc/31/67/62/219316762.db2.gz IBJFCYITHLJWEG-LPYMAVHISA-N 0 0 357.369 5.462 50 30 FKEARN Cc1cccc(-c2nc3cc(/N=C/c4c(C)cc(O)cc4O)ccc3o2)c1 ZINC000000711465 210264294 /nfs/dbraw/zinc/26/42/94/210264294.db2.gz JGVMROWMYCMACQ-FSJBWODESA-N 0 0 358.397 5.273 50 30 FKEARN Cc1ccc2nc(-c3cc(/N=C/c4ccccc4O)ccc3Cl)oc2c1 ZINC000000711568 219316142 /nfs/dbraw/zinc/31/61/42/219316142.db2.gz LWBWOVLZVRAPKG-FSJBWODESA-N 0 0 362.816 5.913 50 30 FKEARN COc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)cc1 ZINC000000711886 219316753 /nfs/dbraw/zinc/31/67/53/219316753.db2.gz CDCJJQOEOALPPM-DEOSSOPVSA-N 0 0 355.437 5.522 50 30 FKEARN COc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)cc1 ZINC000000711887 570452032 /nfs/dbraw/zinc/45/20/32/570452032.db2.gz CDCJJQOEOALPPM-XMMPIXPASA-N 0 0 355.437 5.522 50 30 FKEARN CN(C)c1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)cc1 ZINC000000711931 570452034 /nfs/dbraw/zinc/45/20/34/570452034.db2.gz SLWMINPSWWNYEP-VWLOTQADSA-N 0 0 368.480 5.579 50 30 FKEARN CN(C)c1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)cc1 ZINC000000711932 570452045 /nfs/dbraw/zinc/45/20/45/570452045.db2.gz SLWMINPSWWNYEP-RUZDIDTESA-N 0 0 368.480 5.579 50 30 FKEARN O=C1CCCC2=C1[C@@H](c1cccc(Cl)c1)Nc1ccc3ccccc3c12 ZINC000000712141 210264572 /nfs/dbraw/zinc/26/45/72/210264572.db2.gz GQPIVDBZFYLPBL-HSZRJFAPSA-N 0 0 359.856 6.167 50 30 FKEARN O=C1CCCC2=C1[C@H](c1cccc(Cl)c1)Nc1ccc3ccccc3c12 ZINC000000712143 210264356 /nfs/dbraw/zinc/26/43/56/210264356.db2.gz GQPIVDBZFYLPBL-QHCPKHFHSA-N 0 0 359.856 6.167 50 30 FKEARN CSc1nc2ccc(/N=C/c3ccc(Br)cc3)cc2s1 ZINC000000712201 219316313 /nfs/dbraw/zinc/31/63/13/219316313.db2.gz AWSDMAGTGSMEDG-RQZCQDPDSA-N 0 0 363.305 5.531 50 30 FKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3cc([N+](=O)[O-])cs3)sc2C1 ZINC000000712689 210264626 /nfs/dbraw/zinc/26/46/26/210264626.db2.gz SMPIETSCWJTFFZ-QQZXWGPFSA-N 0 0 373.503 5.491 50 30 FKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3cc([N+](=O)[O-])cs3)sc2C1 ZINC000000712692 210264012 /nfs/dbraw/zinc/26/40/12/210264012.db2.gz SMPIETSCWJTFFZ-GXBAXFRPSA-N 0 0 373.503 5.491 50 30 FKEARN COc1cc(/C=N/c2ccc(Nc3ccccc3)cc2)cc(OC)c1OC ZINC000000712931 570452058 /nfs/dbraw/zinc/45/20/58/570452058.db2.gz PTXRLECHXKLXHX-HZHRSRAPSA-N 0 0 362.429 5.207 50 30 FKEARN CCn1c2ccccc2c2cc(/C=N/c3ccc(NC(C)=O)cc3)ccc21 ZINC000000712964 210264865 /nfs/dbraw/zinc/26/48/65/210264865.db2.gz QSTXKWOMZAWPDR-BUVRLJJBSA-N 0 0 355.441 5.523 50 30 FKEARN Cc1ccsc1/C=N/c1cccc2c(/N=C/c3sccc3C)cccc12 ZINC000000712976 219315940 /nfs/dbraw/zinc/31/59/40/219315940.db2.gz VEJZZLLTOYMXMZ-RNIAWFEPSA-N 0 0 374.534 7.081 50 30 FKEARN Cc1cc2nc(-c3cccc(/N=C/c4cccc(C)c4O)c3)oc2c(C)c1 ZINC000000713782 570452150 /nfs/dbraw/zinc/45/21/50/570452150.db2.gz SWRWPOJHMNBUQS-ZMOGYAJESA-N 0 0 356.425 5.876 50 30 FKEARN O=C1c2ccccc2S/C1=C\c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000000714081 210263666 /nfs/dbraw/zinc/26/36/66/210263666.db2.gz QJVFHTWZTSYURP-QPEQYQDCSA-N 0 0 352.198 5.231 50 30 FKEARN C=CCn1c2ccccc2c2nnc(SCc3ccccc3Cl)nc21 ZINC000000714241 571123076 /nfs/dbraw/zinc/12/30/76/571123076.db2.gz YPRLQHZTNUGDFY-UHFFFAOYSA-N 0 0 366.877 5.111 50 30 FKEARN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/Sc3ccccc3C2=O)o1 ZINC000000714409 219316088 /nfs/dbraw/zinc/31/60/88/219316088.db2.gz ABAMPLTYAXDEBF-YBFXNURJSA-N 0 0 363.394 5.493 50 30 FKEARN N#Cc1c2c(sc1/N=C/c1ccc(-c3ccccc3Cl)o1)CCC2 ZINC000000714747 219316293 /nfs/dbraw/zinc/31/62/93/219316293.db2.gz RZKVJOOKVABGDB-SSDVNMTOSA-N 0 0 352.846 5.772 50 30 FKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1cccc(F)c1 ZINC000000715014 570452519 /nfs/dbraw/zinc/45/25/19/570452519.db2.gz YDTDMCIGWOBHIC-XMMPIXPASA-N 0 0 371.455 6.288 50 30 FKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1cccc(F)c1 ZINC000000715015 210263941 /nfs/dbraw/zinc/26/39/41/210263941.db2.gz YDTDMCIGWOBHIC-DEOSSOPVSA-N 0 0 371.455 6.288 50 30 FKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1cccs1 ZINC000000716885 210265913 /nfs/dbraw/zinc/26/59/13/210265913.db2.gz PSELCMHQLBCVRM-JOCHJYFZSA-N 0 0 359.494 6.211 50 30 FKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1cccs1 ZINC000000716886 219316712 /nfs/dbraw/zinc/31/67/12/219316712.db2.gz PSELCMHQLBCVRM-QFIPXVFZSA-N 0 0 359.494 6.211 50 30 FKEARN N#Cc1ccc(CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 ZINC000000717837 568129822 /nfs/dbraw/zinc/12/98/22/568129822.db2.gz AQJZRBIYOLMZEG-UHFFFAOYSA-N 0 0 367.477 5.908 50 30 FKEARN Cc1ccc2c(ccc3c2[C@@H](c2ccc(F)cc2)C2=C(CCCC2=O)N3)n1 ZINC000000718158 568130185 /nfs/dbraw/zinc/13/01/85/568130185.db2.gz XOUPYUAXQYLMIO-OAQYLSRUSA-N 0 0 358.416 5.247 50 30 FKEARN Cc1ccc2c(ccc3c2[C@H](c2ccc(F)cc2)C2=C(CCCC2=O)N3)n1 ZINC000000718159 219315998 /nfs/dbraw/zinc/31/59/98/219315998.db2.gz XOUPYUAXQYLMIO-NRFANRHFSA-N 0 0 358.416 5.247 50 30 FKEARN Cc1ccc2c(ccc3c2[C@@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N3)n1 ZINC000000718215 219316124 /nfs/dbraw/zinc/31/61/24/219316124.db2.gz SSZCUBGNMHKNDH-OAQYLSRUSA-N 0 0 374.871 5.761 50 30 FKEARN Cc1ccc2c(ccc3c2[C@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N3)n1 ZINC000000718217 219316134 /nfs/dbraw/zinc/31/61/34/219316134.db2.gz SSZCUBGNMHKNDH-NRFANRHFSA-N 0 0 374.871 5.761 50 30 FKEARN CSc1ccc([C@H]2c3c(ccc4ccccc43)NC3=C2C(=O)CCC3)cc1 ZINC000000718253 568130320 /nfs/dbraw/zinc/13/03/20/568130320.db2.gz ZXAHFLZBCMVCHD-QFIPXVFZSA-N 0 0 371.505 6.126 50 30 FKEARN CSc1ccc([C@@H]2c3c(ccc4ccccc43)NC3=C2C(=O)CCC3)cc1 ZINC000000718254 568130278 /nfs/dbraw/zinc/13/02/78/568130278.db2.gz ZXAHFLZBCMVCHD-JOCHJYFZSA-N 0 0 371.505 6.126 50 30 FKEARN CCc1ccc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000719228 568130710 /nfs/dbraw/zinc/13/07/10/568130710.db2.gz KRSXYMJCMCCGRP-DEOSSOPVSA-N 0 0 374.528 6.088 50 30 FKEARN CCc1ccc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000719229 219317124 /nfs/dbraw/zinc/31/71/24/219317124.db2.gz KRSXYMJCMCCGRP-XMMPIXPASA-N 0 0 374.528 6.088 50 30 FKEARN C=CCc1ccc(Oc2ncnc3sc4c(c32)CC[C@H](C)C4)c(OC)c1 ZINC000000719358 219317380 /nfs/dbraw/zinc/31/73/80/219317380.db2.gz COLWAGYVUHJKBW-ZDUSSCGKSA-N 0 0 366.486 5.346 50 30 FKEARN C=CCc1ccc(Oc2ncnc3sc4c(c32)CC[C@@H](C)C4)c(OC)c1 ZINC000000719359 571123185 /nfs/dbraw/zinc/12/31/85/571123185.db2.gz COLWAGYVUHJKBW-CYBMUJFWSA-N 0 0 366.486 5.346 50 30 FKEARN Cc1cc2c(cc1C)N[C@H](c1ccccc1F)C1=C(CC(C)(C)CC1=O)N2 ZINC000000720658 570453034 /nfs/dbraw/zinc/45/30/34/570453034.db2.gz DABAXTUWUIBBPY-JOCHJYFZSA-N 0 0 364.464 5.664 50 30 FKEARN Cc1cc2c(cc1C)N[C@@H](c1ccccc1F)C1=C(CC(C)(C)CC1=O)N2 ZINC000000720659 210265823 /nfs/dbraw/zinc/26/58/23/210265823.db2.gz DABAXTUWUIBBPY-QFIPXVFZSA-N 0 0 364.464 5.664 50 30 FKEARN Cc1ccc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)o1 ZINC000000720701 219317062 /nfs/dbraw/zinc/31/70/62/219317062.db2.gz IDMANFBPFONUMS-NRFANRHFSA-N 0 0 350.462 5.427 50 30 FKEARN Cc1ccc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)o1 ZINC000000720702 570452893 /nfs/dbraw/zinc/45/28/93/570452893.db2.gz IDMANFBPFONUMS-OAQYLSRUSA-N 0 0 350.462 5.427 50 30 FKEARN Cc1cc2c(cc1C)N[C@H](c1ccc(F)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000000720711 219317084 /nfs/dbraw/zinc/31/70/84/219317084.db2.gz SMVSCJRUKJCNGG-JOCHJYFZSA-N 0 0 364.464 5.664 50 30 FKEARN Cc1cc2c(cc1C)N[C@@H](c1ccc(F)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000000720712 210265409 /nfs/dbraw/zinc/26/54/09/210265409.db2.gz SMVSCJRUKJCNGG-QFIPXVFZSA-N 0 0 364.464 5.664 50 30 FKEARN O=C(c1ccc(C(F)(F)F)cc1)C1=C(N2CCCC2)CCc2ccccc21 ZINC000000721446 219317260 /nfs/dbraw/zinc/31/72/60/219317260.db2.gz FPGXJVKHVQXHGR-UHFFFAOYSA-N 0 0 371.402 5.341 50 30 FKEARN C[C@H](O[C@]12CCCC[C@H]1[C@@H](c1ccccc1)C2(C#N)C#N)c1ccccc1 ZINC000000721530 568135990 /nfs/dbraw/zinc/13/59/90/568135990.db2.gz SWDBMCQPUIRLDP-YZZIRNTPSA-N 0 0 356.469 5.524 50 30 FKEARN CCC(=O)C1=C(Nc2ccc3ccccc3c2)C[C@@H](c2ccccc2)CC1=O ZINC000000721589 210265699 /nfs/dbraw/zinc/26/56/99/210265699.db2.gz BQTMZXFKLODTPZ-HXUWFJFHSA-N 0 0 369.464 5.632 50 30 FKEARN CCC(=O)C1=C(Nc2ccc3ccccc3c2)C[C@H](c2ccccc2)CC1=O ZINC000000721591 219317168 /nfs/dbraw/zinc/31/71/68/219317168.db2.gz BQTMZXFKLODTPZ-FQEVSTJZSA-N 0 0 369.464 5.632 50 30 FKEARN Cc1ccc(/C=N/c2ccc(-c3ccc(/N=C/c4ccc(C)o4)cc3)cc2)o1 ZINC000000721751 219317377 /nfs/dbraw/zinc/31/73/77/219317377.db2.gz LQHGPIKSNIDFGR-RYQLWAFASA-N 0 0 368.436 6.658 50 30 FKEARN O=C(c1ccccc1)c1ccc(/N=C/c2ccc(Br)cc2)cc1 ZINC000000722225 210266077 /nfs/dbraw/zinc/26/60/77/210266077.db2.gz NWKUHLKXHDAEQI-HYARGMPZSA-N 0 0 364.242 5.431 50 30 FKEARN Cc1cccc(/C=N/c2cccc(-c3cc4ccccc4oc3=O)c2)c1O ZINC000000724158 570453213 /nfs/dbraw/zinc/45/32/13/570453213.db2.gz IBPNIJQXILPKPR-ZVHZXABRSA-N 0 0 355.393 5.225 50 30 FKEARN Cc1cccc(/C=N/c2ccc(-c3nc4ccccc4s3)cc2O)c1O ZINC000000724161 570453234 /nfs/dbraw/zinc/45/32/34/570453234.db2.gz LKXAMVWVOUMFRW-WSDLNYQXSA-N 0 0 360.438 5.434 50 30 FKEARN Cc1ccc2oc(-c3cc(/N=C/c4cccc(C)c4O)ccc3C)nc2c1 ZINC000000724163 570453217 /nfs/dbraw/zinc/45/32/17/570453217.db2.gz VFOBQUKVRMNWHX-ZMOGYAJESA-N 0 0 356.425 5.876 50 30 FKEARN Cc1ccc(NC=CC(=O)c2ccc(Cl)cc2)cc1Br ZINC000000724692 210265550 /nfs/dbraw/zinc/26/55/50/210265550.db2.gz VLAIUTQRAKFIMR-CMDGGOBGSA-N 0 0 350.643 5.219 50 30 FKEARN Clc1ccccc1C/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000000725883 570453755 /nfs/dbraw/zinc/45/37/55/570453755.db2.gz GVDSTGIYXHEGPD-PCLIKHOPSA-N 0 0 371.871 5.812 50 30 FKEARN CCCn1c2ccccc2nc1/N=C/c1ccc(OC)c2cccc(OC)c12 ZINC000000726771 206828784 /nfs/dbraw/zinc/82/87/84/206828784.db2.gz HLNBBMIFCTUHKV-BUVRLJJBSA-N 0 0 373.456 5.367 50 30 FKEARN COc1ccc(-c2cc(-c3ccc(OC)cc3)c(C#N)c(SC)n2)cc1 ZINC000000727252 568133716 /nfs/dbraw/zinc/13/37/16/568133716.db2.gz UUQRLZXBELSHGP-UHFFFAOYSA-N 0 0 362.454 5.026 50 30 aggregator FKEARN Fc1ccc(/N=C/c2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 ZINC000000727282 570453573 /nfs/dbraw/zinc/45/35/73/570453573.db2.gz JVALENKCYCLEEH-ZMOGYAJESA-N 0 0 363.823 5.628 50 30 FKEARN O=C(c1ccccc1)N(/C=C1\Sc2ccccc2C1=O)c1ccccc1 ZINC000000727357 570453724 /nfs/dbraw/zinc/45/37/24/570453724.db2.gz GZXXNKSZYWUYKR-HKWRFOASSA-N 0 0 357.434 5.163 50 30 FKEARN CCOC(=O)c1c(/N=C/c2[nH]c3ccccc3c2Cl)sc2c1CCC2 ZINC000000727507 570454052 /nfs/dbraw/zinc/45/40/52/570454052.db2.gz CXGOLOCPNSZKHX-UFFVCSGVSA-N 0 0 372.877 5.299 50 30 FKEARN CCOC(=O)c1c(C)c(C)sc1/N=C/c1[nH]c2ccccc2c1Cl ZINC000000727509 210266322 /nfs/dbraw/zinc/26/63/22/210266322.db2.gz BFQDRERQKADFBO-AWQFTUOYSA-N 0 0 360.866 5.427 50 30 FKEARN Cc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1Br ZINC000000727605 570454178 /nfs/dbraw/zinc/45/41/78/570454178.db2.gz NNBFLLRUIMCUMZ-CAOOACKPSA-N 0 0 353.603 5.070 50 30 FKEARN CCn1c2ccccc2c2cc(/C=N/c3cc([N+](=O)[O-])ccc3OC)ccc21 ZINC000000727771 570454033 /nfs/dbraw/zinc/45/40/33/570454033.db2.gz BMQPIKTWZVHOSM-OEAKJJBVSA-N 0 0 373.412 5.482 50 30 FKEARN N#Cc1c2nc3ccccc3n2c(Nc2ccccc2)cc1-c1ccccc1 ZINC000000727805 568133906 /nfs/dbraw/zinc/13/39/06/568133906.db2.gz NWLXCNROVRWQKU-UHFFFAOYSA-N 0 0 360.420 5.770 50 30 FKEARN O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1)Nc1ccc3ncccc3c12 ZINC000000752126 219318240 /nfs/dbraw/zinc/31/82/40/219318240.db2.gz ZUQVMHHFWVVXQT-JOCHJYFZSA-N 0 0 360.844 5.562 50 30 FKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1cccnc1 ZINC000000752132 219317844 /nfs/dbraw/zinc/31/78/44/219317844.db2.gz RUPSCDQINUIPCI-HSZRJFAPSA-N 0 0 354.453 5.544 50 30 FKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1cccnc1 ZINC000000752133 571203572 /nfs/dbraw/zinc/20/35/72/571203572.db2.gz RUPSCDQINUIPCI-QHCPKHFHSA-N 0 0 354.453 5.544 50 30 FKEARN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1cccs1 ZINC000000752342 210267701 /nfs/dbraw/zinc/26/77/01/210267701.db2.gz YYSDHPCSPAYJKJ-UHFFFAOYSA-N 0 0 356.487 5.148 50 30 FKEARN N#Cc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 ZINC000000753335 568152351 /nfs/dbraw/zinc/15/23/51/568152351.db2.gz SELZDDHYHDBEFG-UHFFFAOYSA-N 0 0 355.422 5.087 50 30 FKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1cccc(O)c1 ZINC000000753554 570454777 /nfs/dbraw/zinc/45/47/77/570454777.db2.gz XEJKBBJQAVCGCQ-XMMPIXPASA-N 0 0 369.464 5.855 50 30 FKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1cccc(O)c1 ZINC000000753555 570454890 /nfs/dbraw/zinc/45/48/90/570454890.db2.gz XEJKBBJQAVCGCQ-DEOSSOPVSA-N 0 0 369.464 5.855 50 30 FKEARN Cc1ccc(-c2cc(-c3cccs3)nc(Br)c2C#N)c(C)c1 ZINC000000753727 568153413 /nfs/dbraw/zinc/15/34/13/568153413.db2.gz NVBIOFHPIYEVPE-UHFFFAOYSA-N 0 0 369.287 5.728 50 30 FKEARN N#Cc1c(Br)nc(-c2ccccc2)cc1-c1ccccc1Cl ZINC000000754003 210267481 /nfs/dbraw/zinc/26/74/81/210267481.db2.gz BOSNNZZDOIRXAT-UHFFFAOYSA-N 0 0 369.649 5.703 50 30 aggregator FKEARN CC(C)(C)C(=O)CSc1nc2c(c(-c3cccs3)c1C#N)CCCC2 ZINC000000754027 206829592 /nfs/dbraw/zinc/82/95/92/206829592.db2.gz MSSDROAESZYUFN-UHFFFAOYSA-N 0 0 370.543 5.268 50 30 FKEARN N#Cc1c(SCc2ccccn2)nc2c(c1-c1cccs1)CCCC2 ZINC000000754059 210267432 /nfs/dbraw/zinc/26/74/32/210267432.db2.gz GAXUXCJADSMESX-UHFFFAOYSA-N 0 0 363.511 5.248 50 30 FKEARN COc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)C[C@@H](C)C3)cc1 ZINC000000754911 568181554 /nfs/dbraw/zinc/18/15/54/568181554.db2.gz VJYBRNRVYBLAKD-ODCWNRFASA-N 0 0 369.464 5.768 50 30 FKEARN COc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)C[C@H](C)C3)cc1 ZINC000000754912 219317736 /nfs/dbraw/zinc/31/77/36/219317736.db2.gz VJYBRNRVYBLAKD-SGANQWHYSA-N 0 0 369.464 5.768 50 30 FKEARN COc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)C[C@@H](C)C3)cc1 ZINC000000754913 219317854 /nfs/dbraw/zinc/31/78/54/219317854.db2.gz VJYBRNRVYBLAKD-MQNRADLISA-N 0 0 369.464 5.768 50 30 FKEARN COc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)C[C@H](C)C3)cc1 ZINC000000754914 206829733 /nfs/dbraw/zinc/82/97/33/206829733.db2.gz VJYBRNRVYBLAKD-BZQUYTCOSA-N 0 0 369.464 5.768 50 30 FKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1ccc(O)cc1 ZINC000000754964 210267625 /nfs/dbraw/zinc/26/76/25/210267625.db2.gz ZUILXPDIRAECJQ-XMMPIXPASA-N 0 0 369.464 5.855 50 30 FKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1ccc(O)cc1 ZINC000000754965 570454785 /nfs/dbraw/zinc/45/47/85/570454785.db2.gz ZUILXPDIRAECJQ-DEOSSOPVSA-N 0 0 369.464 5.855 50 30 FKEARN CC(=O)c1c(C)nc2c(C#N)c(C)n(-c3ccccc3)c2c1-c1ccccc1 ZINC000000755239 203947284 /nfs/dbraw/zinc/94/72/84/203947284.db2.gz YDCDMGQVGKOTQK-UHFFFAOYSA-N 0 0 365.436 5.384 50 30 FKEARN Cc1c(C#N)c2nc3c(c(-c4ccccc4)c2n1Cc1ccccc1)CCC3 ZINC000000755422 568187991 /nfs/dbraw/zinc/18/79/91/568187991.db2.gz DQLLHBBKWJLPCM-UHFFFAOYSA-N 0 0 363.464 5.420 50 30 FKEARN Cc1c(C#N)c2nc3c(c(-c4ccccc4)c2n1-c1ccccc1)CCCC3 ZINC000000755423 219319081 /nfs/dbraw/zinc/31/90/81/219319081.db2.gz SUYRQQPJQCNKFG-UHFFFAOYSA-N 0 0 363.464 5.751 50 30 FKEARN N#Cc1c(-c2ccco2)cc(C2CC2)nc1SCC(=O)c1ccccc1 ZINC000000755435 210266809 /nfs/dbraw/zinc/26/68/09/210266809.db2.gz ZJQYOXOAEZZNCT-UHFFFAOYSA-N 0 0 360.438 5.066 50 30 FKEARN N#Cc1c2ccccc2c2nc(-c3ccccc3)c3cc(Cl)ccc3n12 ZINC000000755636 568146040 /nfs/dbraw/zinc/14/60/40/568146040.db2.gz MUUZBGULFACVEX-UHFFFAOYSA-N 0 0 353.812 5.833 50 30 FKEARN CSc1nc2c(c(-c3ccc(Cl)cc3)c1C#N)C(=O)CC(C)(C)C2 ZINC000000755762 210267417 /nfs/dbraw/zinc/26/74/17/210267417.db2.gz OKLWXPOYMFFXHY-UHFFFAOYSA-N 0 0 356.878 5.151 50 30 FKEARN C=CC[C@@]1(C#N)C(SC)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1 ZINC000000755780 570454754 /nfs/dbraw/zinc/45/47/54/570454754.db2.gz KWFVRILVJCCCJS-KNQAVFIVSA-N 0 0 364.514 5.275 50 30 FKEARN C=CC[C@]1(C#N)C(SC)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1 ZINC000000755781 570455387 /nfs/dbraw/zinc/45/53/87/570455387.db2.gz KWFVRILVJCCCJS-DENIHFKCSA-N 0 0 364.514 5.275 50 30 FKEARN C=CC[C@@]1(C#N)C(SC)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1 ZINC000000755782 570455251 /nfs/dbraw/zinc/45/52/51/570455251.db2.gz KWFVRILVJCCCJS-UGKGYDQZSA-N 0 0 364.514 5.275 50 30 FKEARN C=CC[C@]1(C#N)C(SC)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1 ZINC000000755783 570455433 /nfs/dbraw/zinc/45/54/33/570455433.db2.gz KWFVRILVJCCCJS-SIKLNZKXSA-N 0 0 364.514 5.275 50 30 FKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(Cl)cc1 ZINC000000756501 219319749 /nfs/dbraw/zinc/31/97/49/219319749.db2.gz VGFAVDUEYBMEMM-HXUWFJFHSA-N 0 0 352.865 5.562 50 30 FKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc(Cl)cc1 ZINC000000756502 570455284 /nfs/dbraw/zinc/45/52/84/570455284.db2.gz VGFAVDUEYBMEMM-FQEVSTJZSA-N 0 0 352.865 5.562 50 30 FKEARN COc1ccc(-c2cc(-c3ccccc3)nc(Br)c2C#N)cc1 ZINC000000756923 568145481 /nfs/dbraw/zinc/14/54/81/568145481.db2.gz JSJINAUHXMUFLS-UHFFFAOYSA-N 0 0 365.230 5.058 50 30 FKEARN N#Cc1c(SCc2ccc(F)cc2)nc2c(c1-c1cccs1)CCC2 ZINC000000756929 206131861 /nfs/dbraw/zinc/13/18/61/206131861.db2.gz GKOZLSUVMZUXML-UHFFFAOYSA-N 0 0 366.486 5.602 50 30 FKEARN N#Cc1c(Br)nc(-c2ccc(F)cc2)cc1-c1ccccc1 ZINC000000756953 219319614 /nfs/dbraw/zinc/31/96/14/219319614.db2.gz UPWLKTHFBMQVRH-UHFFFAOYSA-N 0 0 353.194 5.189 50 30 FKEARN N#Cc1c(N)c(C#N)c(-c2cccc(Br)c2)cc1-c1ccccc1 ZINC000000771848 210268895 /nfs/dbraw/zinc/26/88/95/210268895.db2.gz JMTRLWDXIDHUSO-UHFFFAOYSA-N 0 0 374.241 5.109 50 30 FKEARN C=C(C)c1cccc(C(C)(C)NC(=O)N2c3ccc(F)cc3CC[C@@H]2C)c1 ZINC000000786393 534369327 /nfs/dbraw/zinc/36/93/27/534369327.db2.gz SCEACEICGUBEFZ-INIZCTEOSA-N 0 0 366.480 5.645 50 30 FKEARN C=C(C)c1cccc(C(C)(C)NC(=O)N2c3ccc(F)cc3CC[C@H]2C)c1 ZINC000000786395 534368471 /nfs/dbraw/zinc/36/84/71/534368471.db2.gz SCEACEICGUBEFZ-MRXNPFEDSA-N 0 0 366.480 5.645 50 30 FKEARN CCN(CC)c1ccc(Nc2cc(C)c(C#N)c3nc4ccccc4n32)cc1 ZINC000000787957 568214406 /nfs/dbraw/zinc/21/44/06/568214406.db2.gz ARSMXFLUZCBAGF-UHFFFAOYSA-N 0 0 369.472 5.257 50 30 FKEARN N#Cc1c2c(c(Nc3ccc(Cl)cc3)n3c4ccccc4nc13)CCC2 ZINC000000787985 210270968 /nfs/dbraw/zinc/27/09/68/210270968.db2.gz TYEDLCIGHFYJKF-UHFFFAOYSA-N 0 0 358.832 5.245 50 30 FKEARN Cc1ccc(C)c(Nc2c3c(c(C#N)c4nc5ccccc5n42)CCC3)c1 ZINC000000787996 219321572 /nfs/dbraw/zinc/32/15/72/219321572.db2.gz CRTCVGASRPSZOY-UHFFFAOYSA-N 0 0 352.441 5.208 50 30 FKEARN Cc1cc(-c2ccc(/C=N/c3ccc4ccccc4c3)o2)c([N+](=O)[O-])cc1C ZINC000000793488 568234790 /nfs/dbraw/zinc/23/47/90/568234790.db2.gz TWANMRPWLLECRG-ZVHZXABRSA-N 0 0 370.408 6.375 50 30 FKEARN COc1ccc(/N=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 ZINC000000793698 219321970 /nfs/dbraw/zinc/32/19/70/219321970.db2.gz IWTKZCAVQDIIJN-MFKUBSTISA-N 0 0 371.415 5.438 50 30 FKEARN CC1(C)CC(=O)C2=C(C1)[C@H](c1ccccn1)Nc1ccc3ccccc3c12 ZINC000000795545 219322440 /nfs/dbraw/zinc/32/24/40/219322440.db2.gz ZZUVXCJSZXNZHJ-HSZRJFAPSA-N 0 0 354.453 5.544 50 30 FKEARN CC1(C)CC(=O)C2=C(C1)[C@@H](c1ccccn1)Nc1ccc3ccccc3c12 ZINC000000795546 570456645 /nfs/dbraw/zinc/45/66/45/570456645.db2.gz ZZUVXCJSZXNZHJ-QHCPKHFHSA-N 0 0 354.453 5.544 50 30 FKEARN COc1cccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)c1O ZINC000000795936 203950608 /nfs/dbraw/zinc/95/06/08/203950608.db2.gz MRBXTMMOCBEYPE-QHCPKHFHSA-N 0 0 371.436 5.227 50 30 FKEARN COc1cccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)c1O ZINC000000795937 219322801 /nfs/dbraw/zinc/32/28/01/219322801.db2.gz MRBXTMMOCBEYPE-HSZRJFAPSA-N 0 0 371.436 5.227 50 30 FKEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3ccc(Cl)cc3Cl)sc2C1 ZINC000000799324 568228772 /nfs/dbraw/zinc/22/87/72/568228772.db2.gz KPYNUHDVVORZMU-VIFPVBQESA-N 0 0 365.285 5.304 50 30 FKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3ccc(Cl)cc3Cl)sc2C1 ZINC000000799325 568228783 /nfs/dbraw/zinc/22/87/83/568228783.db2.gz KPYNUHDVVORZMU-SECBINFHSA-N 0 0 365.285 5.304 50 30 FKEARN Cc1cc(/C=N/c2ccc3ncccc3c2)c(C)n1-c1ccc(Cl)cc1 ZINC000000799754 219322448 /nfs/dbraw/zinc/32/24/48/219322448.db2.gz YDZMAQQRZZICQN-AFUMVMLFSA-N 0 0 359.860 6.046 50 30 FKEARN Oc1ccccc1/C=N/c1nc(-c2ccc(Br)cc2)cs1 ZINC000000799926 219322791 /nfs/dbraw/zinc/32/27/91/219322791.db2.gz WTVUGTOEOUDPLZ-GIJQJNRQSA-N 0 0 359.248 5.029 50 30 FKEARN N#Cc1c(SCc2ccncc2)nc2c(c1-c1cccs1)CCCC2 ZINC000000803823 219323349 /nfs/dbraw/zinc/32/33/49/219323349.db2.gz WDVQUFYECPIHNJ-UHFFFAOYSA-N 0 0 363.511 5.248 50 30 FKEARN COc1ccccc1[C@H]1c2c(ccc3ccccc32)NC2=C1C(=O)CCC2 ZINC000000804894 219323689 /nfs/dbraw/zinc/32/36/89/219323689.db2.gz BVVYKCVZSIUWGU-QHCPKHFHSA-N 0 0 355.437 5.413 50 30 FKEARN COc1ccccc1[C@@H]1c2c(ccc3ccccc32)NC2=C1C(=O)CCC2 ZINC000000804895 570457549 /nfs/dbraw/zinc/45/75/49/570457549.db2.gz BVVYKCVZSIUWGU-HSZRJFAPSA-N 0 0 355.437 5.413 50 30 FKEARN Cc1cc(-c2ccc(/C=N/c3ccc4ccccc4c3)o2)c(C)c([N+](=O)[O-])c1 ZINC000000809170 219324229 /nfs/dbraw/zinc/32/42/29/219324229.db2.gz PXWPSDIEPWBRQV-ZVHZXABRSA-N 0 0 370.408 6.375 50 30 FKEARN Clc1ccc(-c2ccc(/C=N/c3nc4ccccc4[nH]3)o2)c(Cl)c1 ZINC000000809248 219324626 /nfs/dbraw/zinc/32/46/26/219324626.db2.gz BGOLCZIHQSRNDN-UFFVCSGVSA-N 0 0 356.212 5.880 50 30 FKEARN CSc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000811068 570457921 /nfs/dbraw/zinc/45/79/21/570457921.db2.gz AXFDRHIRTOPCFR-OAQYLSRUSA-N 0 0 364.514 5.630 50 30 FKEARN CSc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000811069 210274275 /nfs/dbraw/zinc/27/42/75/210274275.db2.gz AXFDRHIRTOPCFR-NRFANRHFSA-N 0 0 364.514 5.630 50 30 FKEARN COc1cccc(/C=N/c2cc(-c3nc4ccc(C)cc4o3)ccc2C)c1O ZINC000000813243 206834571 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/nfs/dbraw/zinc/47/36/66/570473666.db2.gz PDDQOWBGNAKAMK-VAWYXSNFSA-N 0 0 369.511 5.746 50 30 FKEARN CCOc1ccc2nc(S/C=C/C(=O)c3ccc(OC)cc3)sc2c1 ZINC000001036784 570473780 /nfs/dbraw/zinc/47/37/80/570473780.db2.gz GUFHWXYVAQNWRG-ZHACJKMWSA-N 0 0 371.483 5.192 50 30 FKEARN CC(C)(C)c1ccc(C(=O)O/N=C2\CCCc3[nH]c4ccccc4c32)cc1 ZINC000001036898 570473755 /nfs/dbraw/zinc/47/37/55/570473755.db2.gz KEUVEDUKNQBHEC-LKUDQCMESA-N 0 0 360.457 5.363 50 30 FKEARN Cn1c2ccccc2c2c1CCC/C2=N\OC(=O)c1cccc2ccccc21 ZINC000001036904 570473711 /nfs/dbraw/zinc/47/37/11/570473711.db2.gz VZLFOJWWHROHLW-LKUDQCMESA-N 0 0 368.436 5.229 50 30 FKEARN N#Cc1c(=S)[nH]c(SCc2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000001037091 571143960 /nfs/dbraw/zinc/14/39/60/571143960.db2.gz DGTGSEWAADRXAQ-UHFFFAOYSA-N 0 0 369.902 5.250 50 30 FKEARN N#Cc1ccc(CSc2ccccc2N[C@H]2OC(=O)c3ccccc32)cc1 ZINC000001037215 219356369 /nfs/dbraw/zinc/35/63/69/219356369.db2.gz MOGJHZKYUGHWRA-NRFANRHFSA-N 0 0 372.449 5.132 50 30 FKEARN N#Cc1ccc(CSc2ccccc2N[C@@H]2OC(=O)c3ccccc32)cc1 ZINC000001037216 206857094 /nfs/dbraw/zinc/85/70/94/206857094.db2.gz MOGJHZKYUGHWRA-OAQYLSRUSA-N 0 0 372.449 5.132 50 30 FKEARN CSc1sc(C(=O)NC(C)(C)C)c(-c2ccc(Cl)cc2)c1C#N ZINC000001037461 210305402 /nfs/dbraw/zinc/30/54/02/210305402.db2.gz CHMVBXNSKXORER-UHFFFAOYSA-N 0 0 364.923 5.190 50 30 FKEARN CCOC(=O)c1sc(SC(C)C)c(C#N)c1-c1ccc(Cl)cc1 ZINC000001037674 210304805 /nfs/dbraw/zinc/30/48/05/210304805.db2.gz HBIZYEFSDLQLDA-UHFFFAOYSA-N 0 0 365.907 5.617 50 30 FKEARN N#Cc1c(-c2ccc(Cl)cc2)csc1S(=O)(=O)C1CCCCC1 ZINC000001037686 571144074 /nfs/dbraw/zinc/14/40/74/571144074.db2.gz STUOENLGFIPZQA-UHFFFAOYSA-N 0 0 365.907 5.047 50 30 FKEARN CC1(C)Cc2c(C#N)sc(SCc3ccc(Cl)cc3)c2C(=O)C1 ZINC000001037761 210305346 /nfs/dbraw/zinc/30/53/46/210305346.db2.gz ARJLTFGWIHELDC-UHFFFAOYSA-N 0 0 361.919 5.721 50 30 FKEARN CSc1sc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1C#N ZINC000001037811 219355830 /nfs/dbraw/zinc/35/58/30/219355830.db2.gz AVWDDGKJJODUDV-UHFFFAOYSA-N 0 0 357.382 5.004 50 30 FKEARN CSc1scc2c1C(=NOC(=O)Nc1ccccc1)CC(C)(C)C2 ZINC000001038102 210304907 /nfs/dbraw/zinc/30/49/07/210304907.db2.gz ROVBAFPPLOTKHE-XSFVSMFZSA-N 0 0 360.504 5.395 50 30 FKEARN O=C(CSC1=CC(=O)C[C@@H](c2ccc(Cl)cc2)S1)c1ccccc1 ZINC000001038339 570474085 /nfs/dbraw/zinc/47/40/85/570474085.db2.gz HRCGRIXGOJSKBC-SFHVURJKSA-N 0 0 374.914 5.545 50 30 FKEARN O=C(CSC1=CC(=O)C[C@H](c2ccc(Cl)cc2)S1)c1ccccc1 ZINC000001038340 570474009 /nfs/dbraw/zinc/47/40/09/570474009.db2.gz HRCGRIXGOJSKBC-GOSISDBHSA-N 0 0 374.914 5.545 50 30 FKEARN CC1(C)CCc2cc(C=NOC(=O)Nc3ccc(Cl)cc3)ccc2O1 ZINC000001038497 210306891 /nfs/dbraw/zinc/30/68/91/210306891.db2.gz LHTQSCALMUSODY-CIAFOILYSA-N 0 0 358.825 5.026 50 30 FKEARN CC1(C)CCc2cc(C=NOC(=O)Nc3cccc(Cl)c3)ccc2O1 ZINC000001038499 219355945 /nfs/dbraw/zinc/35/59/45/219355945.db2.gz OQDVSKOPPYDJAK-CIAFOILYSA-N 0 0 358.825 5.026 50 30 FKEARN Cn1nc(C(F)(F)F)cc1-c1ccc(/C=N/c2ccc(Cl)cc2)s1 ZINC000001038600 570474007 /nfs/dbraw/zinc/47/40/07/570474007.db2.gz DPBCVSSAKDJHDG-ZVBGSRNCSA-N 0 0 369.799 5.571 50 30 FKEARN CSc1sc(-c2ccnc(SC)n2)c(-c2ccccc2)c1C#N ZINC000001038631 210305696 /nfs/dbraw/zinc/30/56/96/210305696.db2.gz JTVSXHPMYXGZOJ-UHFFFAOYSA-N 0 0 355.513 5.188 50 30 FKEARN CSc1nc(C)nc(-c2cccc(CSc3ccccc3)c2)c1C#N ZINC000001038694 210306490 /nfs/dbraw/zinc/30/64/90/210306490.db2.gz NWLWEDDAQMMKLS-UHFFFAOYSA-N 0 0 363.511 5.338 50 30 FKEARN COc1cc(CC/C(C)=N\O)ccc1OCc1ccc(Cl)cc1Cl ZINC000001038972 570474160 /nfs/dbraw/zinc/47/41/60/570474160.db2.gz USTXKTNMOIJROV-MTJSOVHGSA-N 0 0 368.260 5.364 50 30 FKEARN O=C(/C=C/Sc1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000001039026 210306389 /nfs/dbraw/zinc/30/63/89/210306389.db2.gz ATRVPZMUYBKYJW-MDZDMXLPSA-N 0 0 353.668 5.591 50 30 FKEARN O=C(/C=C/Sc1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000001039028 210306277 /nfs/dbraw/zinc/30/62/77/210306277.db2.gz CDMGKAXCNGKUFB-MDZDMXLPSA-N 0 0 353.668 5.591 50 30 FKEARN FC(F)(F)c1cccc(/C=N/Cc2ccc(-c3cccs3)s2)c1 ZINC000001039560 570474519 /nfs/dbraw/zinc/47/45/19/570474519.db2.gz MGIKXSOUCFHZDA-UFFVCSGVSA-N 0 0 351.418 6.115 50 30 FKEARN COc1ccc(/N=C/C2=C(Cl)c3cc(Cl)ccc3SC2)cc1 ZINC000001039575 210306452 /nfs/dbraw/zinc/30/64/52/210306452.db2.gz KZGQYDJULXPRNH-AWQFTUOYSA-N 0 0 350.270 5.807 50 30 FKEARN FC(F)(F)c1cccc(/N=C/c2c(-c3ccccc3)nc3n2CCS3)c1 ZINC000001039655 206857719 /nfs/dbraw/zinc/85/77/19/206857719.db2.gz XOZNKBGJEPKPNU-FSJBWODESA-N 0 0 373.403 5.425 50 30 FKEARN CC(C)(C)c1ccc(/N=C/c2c(-c3ccccc3)nc3n2CCS3)cc1 ZINC000001039657 570474581 /nfs/dbraw/zinc/47/45/81/570474581.db2.gz FHALXJZHSAYCSZ-HZHRSRAPSA-N 0 0 361.514 5.704 50 30 FKEARN FC(F)(F)c1ccc(Cl)c(NC(=S)NN=C2CCCCCC2)c1 ZINC000001040801 210306815 /nfs/dbraw/zinc/30/68/15/210306815.db2.gz YMLJZLKRGXJAEH-UHFFFAOYSA-N 0 0 363.836 5.355 50 30 FKEARN O=C(CC(c1ccccc1)=C1CCc2ccccc2C1=O)c1ccccc1 ZINC000001041120 210306048 /nfs/dbraw/zinc/30/60/48/210306048.db2.gz GXKLVVUJOJTLCC-GHVJWSGMSA-N 0 0 352.433 5.542 50 30 FKEARN Cc1ccc(C(=O)CC(c2ccccc2)=C2CCc3ccccc3C2=O)cc1 ZINC000001041123 570474930 /nfs/dbraw/zinc/47/49/30/570474930.db2.gz RFSMDCSCNHQNFP-WCWDXBQESA-N 0 0 366.460 5.851 50 30 FKEARN O=C(CC(c1ccccc1)=C1CCCc2ccccc2C1=O)c1ccccc1 ZINC000001041124 570474970 /nfs/dbraw/zinc/47/49/70/570474970.db2.gz OVSWKBUIALZQKI-WCWDXBQESA-N 0 0 366.460 5.932 50 30 FKEARN O=C(/C=C/OC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 ZINC000001041248 206857808 /nfs/dbraw/zinc/85/78/08/206857808.db2.gz JNBYBUHQEJMXQU-BQYQJAHWSA-N 0 0 355.604 5.200 50 30 FKEARN O=C(/C=C/Sc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000001041253 206857768 /nfs/dbraw/zinc/85/77/68/206857768.db2.gz PXQSRTPSXRWHMK-CMDGGOBGSA-N 0 0 353.668 5.591 50 30 FKEARN Cc1cc(O/C=C/C(=O)c2ccc(Br)cc2)ccc1Cl ZINC000001041307 570474910 /nfs/dbraw/zinc/47/49/10/570474910.db2.gz BZAYQIFSHVKRRG-CMDGGOBGSA-N 0 0 351.627 5.186 50 30 FKEARN COc1ccc(C(=O)/C=C/Sc2nc3cc(Cl)ccc3s2)cc1 ZINC000001041309 570474962 /nfs/dbraw/zinc/47/49/62/570474962.db2.gz IUOJXFBNYLTDOO-CMDGGOBGSA-N 0 0 361.875 5.447 50 30 FKEARN O=C(/C=C/Sc1nc2cc(Cl)ccc2s1)c1ccc(Cl)cc1 ZINC000001041311 570474919 /nfs/dbraw/zinc/47/49/19/570474919.db2.gz WICUZGOACNWMGW-BQYQJAHWSA-N 0 0 366.294 6.092 50 30 FKEARN Cc1ccc2[nH]c(SC=CC(=O)c3cccc(Br)c3)nc2c1 ZINC000001041329 570475010 /nfs/dbraw/zinc/47/50/10/570475010.db2.gz JMCWTSTURBKWCR-BQYQJAHWSA-N 0 0 373.275 5.123 50 30 FKEARN COc1ccc(/C=C2\CCc3ccccc3C2=O)cc1OCc1ccccc1 ZINC000001041491 570474879 /nfs/dbraw/zinc/47/48/79/570474879.db2.gz NNOJHGFNPALXBX-RCCKNPSSSA-N 0 0 370.448 5.487 50 30 FKEARN O=C(Nc1ccc(/N=C/c2ccc(Cl)cc2)cc1)c1ccccc1O ZINC000001041836 210306245 /nfs/dbraw/zinc/30/62/45/210306245.db2.gz JPDHULYXAAAJSP-LPYMAVHISA-N 0 0 350.805 5.049 50 30 FKEARN O=C(Nc1ccc(/N=C/c2ccccc2Cl)cc1)c1ccccc1O ZINC000001041838 570475369 /nfs/dbraw/zinc/47/53/69/570475369.db2.gz CZJKHFSCTPKPKW-LPYMAVHISA-N 0 0 350.805 5.049 50 30 FKEARN COc1ccc(C(=O)/C=C/Sc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000001041924 570475358 /nfs/dbraw/zinc/47/53/58/570475358.db2.gz OFFPLYFITYRVBR-VOTSOKGWSA-N 0 0 373.783 5.251 50 30 FKEARN CN(C)c1ccc(/C=C2\C(=O)c3ccccc3O[C@@H]2c2ccccc2)cc1 ZINC000001042022 570475341 /nfs/dbraw/zinc/47/53/41/570475341.db2.gz PFJGSEYJKNHOGG-MWKGPOOMSA-N 0 0 355.437 5.153 50 30 FKEARN CN(C)c1ccc(/C=C2\C(=O)c3ccccc3O[C@H]2c2ccccc2)cc1 ZINC000001042024 210305895 /nfs/dbraw/zinc/30/58/95/210305895.db2.gz PFJGSEYJKNHOGG-VGBYGFDOSA-N 0 0 355.437 5.153 50 30 FKEARN CC(C)(C)CC(C)(C)NC(=O)c1cccc(/N=C/c2ccccc2O)c1 ZINC000001042424 570475258 /nfs/dbraw/zinc/47/52/58/570475258.db2.gz FQNHIXLDBSTZSG-OEAKJJBVSA-N 0 0 352.478 5.087 50 30 FKEARN O=C1c2ccccc2O[C@@H](c2ccccc2)/C1=C/c1c[nH]c2ccccc12 ZINC000001043771 210307983 /nfs/dbraw/zinc/30/79/83/210307983.db2.gz XOEGOPOWDZTUJJ-VEWQMQJVSA-N 0 0 351.405 5.568 50 30 FKEARN O=C1c2ccccc2O[C@H](c2ccccc2)/C1=C/c1c[nH]c2ccccc12 ZINC000001043773 210307607 /nfs/dbraw/zinc/30/76/07/210307607.db2.gz XOEGOPOWDZTUJJ-FTAOIEMSSA-N 0 0 351.405 5.568 50 30 FKEARN O=C1c2cc(F)cc(F)c2OC/C1=C\c1ccc(-c2cccs2)s1 ZINC000001043892 219357600 /nfs/dbraw/zinc/35/76/00/219357600.db2.gz NFHYQATYUYAOJY-UXBLZVDNSA-N 0 0 360.406 5.414 50 30 FKEARN COc1ccc(Oc2cc(C#N)c(C#N)cc2Oc2ccc(OC)cc2)cc1 ZINC000001044109 219357694 /nfs/dbraw/zinc/35/76/94/219357694.db2.gz RCDBRHMIDPDMRF-UHFFFAOYSA-N 0 0 372.380 5.032 50 30 FKEARN O=C1CS/C(=N\c2ccc(F)c(Cl)c2)N1c1ccc(F)c(Cl)c1 ZINC000001044451 210307444 /nfs/dbraw/zinc/30/74/44/210307444.db2.gz IBHNYCJKBAAMNL-HKWRFOASSA-N 0 0 373.211 5.039 50 30 FKEARN C/C(=N\Cc1cccc(C/N=C(\C)c2ccccc2O)c1)c1ccccc1O ZINC000001045149 210308514 /nfs/dbraw/zinc/30/85/14/210308514.db2.gz QVKHQUHERBPMEV-RPCRKUJJSA-N 0 0 372.468 5.116 50 30 FKEARN CCCC(/N=C/c1cc(Cl)ccc1O)/N=C/c1cc(Cl)ccc1O ZINC000001046322 219357676 /nfs/dbraw/zinc/35/76/76/219357676.db2.gz VPEHNCNZNYRKSA-OIEABDAFSA-N 0 0 365.260 5.069 50 30 FKEARN N#Cc1ccc(-c2csc(-c3ccc(C4SCCS4)cc3)n2)cc1 ZINC000001046847 219357272 /nfs/dbraw/zinc/35/72/72/219357272.db2.gz FTHTUQBRDKMGCB-UHFFFAOYSA-N 0 0 366.536 5.827 50 30 FKEARN CSc1c(C#N)c(-c2cc(C(C)(C)C)oc2C)nn1-c1ccc(F)cc1 ZINC000001047119 219358263 /nfs/dbraw/zinc/35/82/63/219358263.db2.gz NCAFUYLIINBXGG-UHFFFAOYSA-N 0 0 369.465 5.471 50 30 FKEARN CSc1c(C#N)c(-c2cc(C(C)(C)C)oc2C)nn1-c1ccccc1 ZINC000001047124 206858402 /nfs/dbraw/zinc/85/84/02/206858402.db2.gz SMTWTNFWZFXIJP-UHFFFAOYSA-N 0 0 351.475 5.332 50 30 FKEARN Cc1oc(C(C)(C)C)cc1C(=O)Nc1ccc(C(F)(F)F)c(C#N)c1 ZINC000001047161 210308076 /nfs/dbraw/zinc/30/80/76/210308076.db2.gz MBLWWEBASVPJJH-UHFFFAOYSA-N 0 0 350.340 5.028 50 30 FKEARN C/C(=N\OC(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(F)cc1 ZINC000001048089 570476956 /nfs/dbraw/zinc/47/69/56/570476956.db2.gz RLWSWKHMDQTKOW-SSDVNMTOSA-N 0 0 372.783 5.024 50 30 FKEARN N#Cc1c(Oc2ccc(F)cc2)ccc([N+](=O)[O-])c1Oc1ccc(F)cc1 ZINC000001048830 219358709 /nfs/dbraw/zinc/35/87/09/219358709.db2.gz NCZUSBKIWNFONK-UHFFFAOYSA-N 0 0 368.295 5.329 50 30 FKEARN C#Cc1cccc(NC(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)c1 ZINC000001048907 210147799 /nfs/dbraw/zinc/14/77/99/210147799.db2.gz 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O=[N+]([O-])c1cc(/C=N/c2cc(Cl)ccc2Cl)ccc1Br ZINC000001056150 210309282 /nfs/dbraw/zinc/30/92/82/210309282.db2.gz ZRDWTNAUHZTEGY-REZTVBANSA-N 0 0 374.021 5.415 50 30 FKEARN COC(=O)c1ccc(/C=N/c2ccc3oc(-c4ccc(C)cc4)nc3c2)cc1 ZINC000001056159 219360894 /nfs/dbraw/zinc/36/08/94/219360894.db2.gz AHLXYIXTQWZQOU-ZVHZXABRSA-N 0 0 370.408 5.340 50 30 FKEARN COC(=O)c1ccc(/C=N/c2ccc3oc(-c4cccc(C)c4)nc3c2)cc1 ZINC000001056163 210309126 /nfs/dbraw/zinc/30/91/26/210309126.db2.gz QNQWXOXQPCINSQ-ZVHZXABRSA-N 0 0 370.408 5.340 50 30 FKEARN Cc1ccc(Cn2c(N)c(C#N)c(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000001056947 219360998 /nfs/dbraw/zinc/36/09/98/219360998.db2.gz ZCZGDPLJLGGGNK-UHFFFAOYSA-N 0 0 363.464 5.633 50 30 FKEARN Cc1c2ccc(C)cc2oc1C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000001057192 219360634 /nfs/dbraw/zinc/36/06/34/219360634.db2.gz BXMNUPUUUOTKAD-UHFFFAOYSA-N 0 0 350.443 5.114 50 30 FKEARN C[C@H]1CCc2c(C#N)c(/N=C/c3cc(Br)cs3)sc2C1 ZINC000001057978 219360867 /nfs/dbraw/zinc/36/08/67/219360867.db2.gz 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Cc1sc(/N=C/c2cn(Cc3ccccc3)c3ccccc23)c(C#N)c1C ZINC000001060023 219362021 /nfs/dbraw/zinc/36/20/21/219362021.db2.gz ORBQJMGEOUZEBK-DHRITJCHSA-N 0 0 369.493 5.990 50 30 FKEARN CCOC(=O)c1c(/N=C/c2c(O)ccc3ccccc32)sc2c1CCC2 ZINC000001060203 570478215 /nfs/dbraw/zinc/47/82/15/570478215.db2.gz RNFBNMPEQHRFBY-WSDLNYQXSA-N 0 0 365.454 5.023 50 30 FKEARN O=C(Oc1ccccc1/C=C1/Sc2ccccc2C1=O)c1ccccc1 ZINC000001061561 219362203 /nfs/dbraw/zinc/36/22/03/219362203.db2.gz RWTIAVYPUHTIPX-XSFVSMFZSA-N 0 0 358.418 5.235 50 30 FKEARN N#Cc1c2c(sc1/N=C/c1ccc(-c3ccc([N+](=O)[O-])cc3)o1)CCC2 ZINC000001064206 571145364 /nfs/dbraw/zinc/14/53/64/571145364.db2.gz ZVEYUWYAFGLYKZ-SRZZPIQSSA-N 0 0 363.398 5.027 50 30 FKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@@H]2c1ccccc1 ZINC000001066581 570478757 /nfs/dbraw/zinc/47/87/57/570478757.db2.gz MKQHDZXEGIWABH-QFIPXVFZSA-N 0 0 353.465 6.040 50 30 FKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@H]2c1ccccc1 ZINC000001066583 219363310 /nfs/dbraw/zinc/36/33/10/219363310.db2.gz 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C(=N/c1ccc(/N=C/c2c[nH]c3ccccc23)cc1)\c1c[nH]c2ccccc12 ZINC000001086150 219367435 /nfs/dbraw/zinc/36/74/35/219367435.db2.gz GYOZBLBKIHTMJD-BKHCZYBLSA-N 0 0 362.436 6.150 50 30 FKEARN Cc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000001086348 203981962 /nfs/dbraw/zinc/98/19/62/203981962.db2.gz MPOFAOWBWVNNEE-VWLOTQADSA-N 0 0 367.492 6.458 50 30 FKEARN Cc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000001086349 219367189 /nfs/dbraw/zinc/36/71/89/219367189.db2.gz MPOFAOWBWVNNEE-RUZDIDTESA-N 0 0 367.492 6.458 50 30 FKEARN CC(=O)C(C(C)=O)=C(SCc1ccccc1)SCc1ccccc1 ZINC000001086435 263142330 /nfs/dbraw/zinc/14/23/30/263142330.db2.gz XYRJLHVNQNZINO-UHFFFAOYSA-N 0 0 356.512 5.243 50 30 FKEARN COc1ccc(-c2cc(-c3ccccc3)nc3sc(C#N)c(N)c32)cc1 ZINC000001087090 219367384 /nfs/dbraw/zinc/36/73/84/219367384.db2.gz WGYMKQPUBXCYNE-UHFFFAOYSA-N 0 0 357.438 5.093 50 30 FKEARN COc1ccc(/C=N/c2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1O ZINC000001087095 210314405 /nfs/dbraw/zinc/31/44/05/210314405.db2.gz RLCIYQFYLCKPAA-YDZHTSKRSA-N 0 0 374.465 5.737 50 30 FKEARN Oc1ccc(/C=N/c2cccc3c(/N=C/c4ccc(O)cc4)cccc23)cc1 ZINC000001087102 570479786 /nfs/dbraw/zinc/47/97/86/570479786.db2.gz DNKLHOMVPPUPID-RYQLWAFASA-N 0 0 366.420 5.752 50 30 FKEARN C(=N/c1ccccc1/N=C/c1c[nH]c2ccccc12)\c1c[nH]c2ccccc12 ZINC000001087149 570479726 /nfs/dbraw/zinc/47/97/26/570479726.db2.gz DNTMMXLWQYEWOH-DPCVLPDWSA-N 0 0 362.436 6.150 50 30 FKEARN COc1cc(OC)c(/C=N/c2c(C)cc(C)cc2C)cc1Br ZINC000001087171 219367231 /nfs/dbraw/zinc/36/72/31/219367231.db2.gz CMVKYDULSPMSMY-KEBDBYFISA-N 0 0 362.267 5.142 50 30 FKEARN COc1ccc2ccccc2c1/C=N/c1ccc(C)c(Br)c1 ZINC000001087190 570479779 /nfs/dbraw/zinc/47/97/79/570479779.db2.gz RBHCMVZCECPIRQ-CIAFOILYSA-N 0 0 354.247 5.670 50 30 FKEARN CCOc1ccc(/C=N/c2ccc(/N=C/c3ccc(OCC)cc3)cc2)cc1 ZINC000001087196 219367274 /nfs/dbraw/zinc/36/72/74/219367274.db2.gz MYXIRWNCZLJGOL-RPCRKUJJSA-N 0 0 372.468 5.985 50 30 FKEARN COc1cc(OC)c(/C=N/c2cccc(Cl)c2C)cc1Br ZINC000001087200 219367693 /nfs/dbraw/zinc/36/76/93/219367693.db2.gz KLIHNNXZWTZQAJ-DJKKODMXSA-N 0 0 368.658 5.179 50 30 FKEARN CCn1c2ccccc2c2cc(/C=N/c3cccc([N+](=O)[O-])c3C)ccc21 ZINC000001087225 219367358 /nfs/dbraw/zinc/36/73/58/219367358.db2.gz CQDZGECNNHWHPI-OEAKJJBVSA-N 0 0 357.413 5.782 50 30 FKEARN O=C(c1ccccc1)c1ccc(/N=C/c2ccc(Br)s2)cc1 ZINC000001087239 263142344 /nfs/dbraw/zinc/14/23/44/263142344.db2.gz KIGLJJHJCOIBDD-UDWIEESQSA-N 0 0 370.271 5.492 50 30 FKEARN Cc1[nH]c2ccccc2c1/C=N/c1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000001087278 219367337 /nfs/dbraw/zinc/36/73/37/219367337.db2.gz QFQLIGSQWDCXJY-AFUMVMLFSA-N 0 0 372.855 6.111 50 30 FKEARN Cc1sc(NC(=O)C(Cc2ccccc2)Cc2ccccc2)c(C#N)c1C ZINC000001088177 210314971 /nfs/dbraw/zinc/31/49/71/210314971.db2.gz ODHSUPJFYIUPJT-UHFFFAOYSA-N 0 0 374.509 5.277 50 30 FKEARN Cc1ccsc1[C@H]1c2c(ccc3nc(C)ccc32)NC2=C1C(=O)CCC2 ZINC000001089550 210316843 /nfs/dbraw/zinc/31/68/43/210316843.db2.gz 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CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3ccoc3C)sc2C1 ZINC000001095773 210316825 /nfs/dbraw/zinc/31/68/25/210316825.db2.gz FPVGOJPSUFXSDC-CYBMUJFWSA-N 0 0 356.491 5.315 50 30 FKEARN COc1cccc(/C=N/c2ccc(Cl)cc2C(=O)c2ccccc2)c1O ZINC000001095961 219368388 /nfs/dbraw/zinc/36/83/88/219368388.db2.gz YJQRBTUAISQJFF-YDZHTSKRSA-N 0 0 365.816 5.036 50 30 FKEARN Clc1ccc(-n2cccc2/C=N/c2ccc(Br)cc2)cc1 ZINC000001096954 219368763 /nfs/dbraw/zinc/36/87/63/219368763.db2.gz LECGWISLGQPTOT-UDWIEESQSA-N 0 0 359.654 5.644 50 30 FKEARN COc1ccc(-n2cccc2/C=N/c2ccc(Br)c(C)c2)cc1 ZINC000001097110 219367908 /nfs/dbraw/zinc/36/79/08/219367908.db2.gz DHUZKQNJBUXIEI-FYJGNVAPSA-N 0 0 369.262 5.307 50 30 FKEARN Cc1oc(/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)c(C#N)c1C ZINC000001098520 210317058 /nfs/dbraw/zinc/31/70/58/210317058.db2.gz OYRPQDRAIFQUMI-YSURURNPSA-N 0 0 358.319 5.798 50 30 FKEARN N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccccc1Cl ZINC000001099684 206860359 /nfs/dbraw/zinc/86/03/59/206860359.db2.gz WLCNSHKFNIDCBA-UHFFFAOYSA-N 0 0 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ZINC000001115407 203984228 /nfs/dbraw/zinc/98/42/28/203984228.db2.gz QWVRDELAVPHXQD-AWEZNQCLSA-N 0 0 368.502 5.032 50 30 FKEARN CC(C)COc1cccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c1 ZINC000001115408 210319718 /nfs/dbraw/zinc/31/97/18/210319718.db2.gz QWVRDELAVPHXQD-CQSZACIVSA-N 0 0 368.502 5.032 50 30 FKEARN C=CCn1c(SCc2ccccc2)nnc1-c1ccc2[nH]c(C)c(C)c2c1 ZINC000001116774 210147818 /nfs/dbraw/zinc/14/78/18/210147818.db2.gz QNYMUWDQEXDCOP-UHFFFAOYSA-N 0 0 374.513 5.522 50 30 FKEARN Cc1c2cc(C)ccc2oc1C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000001119546 571146774 /nfs/dbraw/zinc/14/67/74/571146774.db2.gz AWILRKVFSDMMDG-UHFFFAOYSA-N 0 0 350.443 5.114 50 30 FKEARN CC(C)(C)c1cc(NC(=O)Nc2ccc(Br)cc2Cl)no1 ZINC000001119774 219373400 /nfs/dbraw/zinc/37/34/00/219373400.db2.gz CVSPDZLIRLBCAY-UHFFFAOYSA-N 0 0 372.650 5.046 50 30 FKEARN C=C(C)c1cccc(C(C)(C)NC(=O)N2CC=C(c3ccccc3)CC2)c1 ZINC000001121052 263142794 /nfs/dbraw/zinc/14/27/94/263142794.db2.gz AJCXZRTVOFYXLL-UHFFFAOYSA-N 0 0 360.501 5.454 50 30 FKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@@H]2c1cccs1 ZINC000001122237 210319682 /nfs/dbraw/zinc/31/96/82/210319682.db2.gz YIAHGNCCIJAMMU-QFIPXVFZSA-N 0 0 359.494 6.102 50 30 FKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@H]2c1cccs1 ZINC000001122240 219374337 /nfs/dbraw/zinc/37/43/37/219374337.db2.gz YIAHGNCCIJAMMU-JOCHJYFZSA-N 0 0 359.494 6.102 50 30 FKEARN N#Cc1ccc(NC(=O)c2ccccc2OCc2ccc(Cl)cc2)cc1 ZINC000001125383 219374907 /nfs/dbraw/zinc/37/49/07/219374907.db2.gz NJRNGLFCGYLEQO-UHFFFAOYSA-N 0 0 362.816 5.043 50 30 FKEARN N#Cc1ccc(-c2ccccc2)nc1SCc1ccccc1C(F)(F)F ZINC000001125965 219376093 /nfs/dbraw/zinc/37/60/93/219376093.db2.gz LYXHEGCGQQLZNA-UHFFFAOYSA-N 0 0 370.399 5.931 50 30 FKEARN Cc1c2cc(C)c(C)cc2oc1C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000001129365 571147538 /nfs/dbraw/zinc/14/75/38/571147538.db2.gz MBDPKQNMGCVCGC-UHFFFAOYSA-N 0 0 364.470 5.422 50 30 FKEARN N#Cc1ccccc1NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000001130444 571147305 /nfs/dbraw/zinc/14/73/05/571147305.db2.gz 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Cc1cc(NC2=CC(=O)C[C@H](c3ccccc3)C2)ccc1Br ZINC000001216951 210337176 /nfs/dbraw/zinc/33/71/76/210337176.db2.gz KLYGOZPHMSXQTI-OAHLLOKOSA-N 0 0 356.263 5.200 50 30 FKEARN O=C1CC(c2ccccc2Cl)CC(=O)C1=CNc1ccc(Cl)cc1 ZINC000001217555 570494148 /nfs/dbraw/zinc/49/41/48/570494148.db2.gz VPYRABDPDMWKQQ-UHFFFAOYSA-N 0 0 360.240 5.005 50 30 FKEARN COc1c(Cl)cc(Cl)cc1C=NOC(=O)Nc1ccc(Cl)cc1 ZINC000001226008 210337549 /nfs/dbraw/zinc/33/75/49/210337549.db2.gz OPCUONYUROXEOH-UFWORHAWSA-N 0 0 373.623 5.238 50 30 FKEARN CCOc1cc(Br)cc(/C=N/c2ccc(F)c(Cl)c2)c1O ZINC000001226741 206870326 /nfs/dbraw/zinc/87/03/26/206870326.db2.gz GXMQXDIBKRLEFV-UFWORHAWSA-N 0 0 372.621 5.097 50 30 FKEARN CCOC(=O)c1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1 ZINC000001227753 570495208 /nfs/dbraw/zinc/49/52/08/570495208.db2.gz BWSMFVJXLIVYOM-LFVJCYFKSA-N 0 0 359.425 5.193 50 30 FKEARN COc1ccc2cc(C=NOC(=O)Nc3ccc(Cl)cc3)ccc2c1 ZINC000001228999 570495401 /nfs/dbraw/zinc/49/54/01/570495401.db2.gz SOPYZXOFOIXOCP-CIAFOILYSA-N 0 0 354.793 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N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000001398717 571058578 /nfs/dbraw/zinc/05/85/78/571058578.db2.gz XRHPTCLSIXTUMI-UHFFFAOYSA-N 0 0 358.750 5.959 50 30 FKEARN N#C[C@H](c1ccc(Nc2ccccc2)nn1)c1ccc(Cl)cc1Cl ZINC000001400173 571061081 /nfs/dbraw/zinc/06/10/81/571061081.db2.gz GBHINRBSLSPSLF-HNNXBMFYSA-N 0 0 355.228 5.182 50 30 FKEARN N#C[C@@H](c1ccc(Nc2ccccc2)nn1)c1ccc(Cl)cc1Cl ZINC000001400174 204004465 /nfs/dbraw/zinc/00/44/65/204004465.db2.gz GBHINRBSLSPSLF-OAHLLOKOSA-N 0 0 355.228 5.182 50 30 FKEARN N#C[C@H](c1ccc(Cl)cc1)c1ccc(Sc2ccc(Cl)cc2)nn1 ZINC000001401082 219402773 /nfs/dbraw/zinc/40/27/73/219402773.db2.gz OGKLAWKZWKZAMJ-MRXNPFEDSA-N 0 0 372.280 5.590 50 30 FKEARN N#C[C@@H](c1ccc(Cl)cc1)c1ccc(Sc2ccc(Cl)cc2)nn1 ZINC000001401083 206879733 /nfs/dbraw/zinc/87/97/33/206879733.db2.gz OGKLAWKZWKZAMJ-INIZCTEOSA-N 0 0 372.280 5.590 50 30 FKEARN N#C[C@@H](Sc1ncc(C(F)(F)F)cc1Cl)c1ccc(Cl)cc1 ZINC000001401878 570498849 /nfs/dbraw/zinc/49/88/49/570498849.db2.gz 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/nfs/dbraw/zinc/40/37/46/219403746.db2.gz UAOWXIKNEFQDKG-VAWYXSNFSA-N 0 0 362.300 5.039 50 30 FKEARN N#Cc1c2ccc(OCc3cccc(C(F)(F)F)c3)cc2n2ccccc12 ZINC000001403747 571061035 /nfs/dbraw/zinc/06/10/35/571061035.db2.gz LOCHNUHQKPADJI-UHFFFAOYSA-N 0 0 366.342 5.562 50 30 FKEARN N#Cc1c(N)c(C(=O)c2ccccc2)sc1Oc1ccc2ccccc2c1 ZINC000001403818 210349800 /nfs/dbraw/zinc/34/98/00/210349800.db2.gz ICUFOAHBPBFQNU-UHFFFAOYSA-N 0 0 370.433 5.378 50 30 FKEARN N#Cc1cc(C(F)(F)F)ccc1Sc1ccc(Br)cc1 ZINC000001404380 210349576 /nfs/dbraw/zinc/34/95/76/210349576.db2.gz LASSFCFOIMJPCQ-UHFFFAOYSA-N 0 0 358.182 5.491 50 30 FKEARN C/C(=N\OC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000001405832 518471000 /nfs/dbraw/zinc/47/10/00/518471000.db2.gz FYBHBBKESHGKEN-OZGLUBAOSA-N 0 0 366.417 5.055 50 30 FKEARN O=C(Nc1cccc2ccccc21)N1CCCCC/C1=N\c1ccccc1 ZINC000001409655 571063509 /nfs/dbraw/zinc/06/35/09/571063509.db2.gz IIZDGHSULGUSKB-ZNTNEXAZSA-N 0 0 357.457 5.978 50 30 FKEARN CCOc1ccc(/N=C2\c3cc(C)cc4c3N(C2=O)C(C)(C)C=C4C)cc1 ZINC000001411106 206879596 /nfs/dbraw/zinc/87/95/96/206879596.db2.gz HUOASQACNLPLFN-HIXSDJFHSA-N 0 0 360.457 5.057 50 30 FKEARN CCc1ccc(/N=C2\c3cc(OC)cc4c3N(C2=O)C(C)(C)C[C@H]4C)cc1 ZINC000001411198 571064945 /nfs/dbraw/zinc/06/49/45/571064945.db2.gz BDQLENSBJHOIPB-XHWMPCBKSA-N 0 0 362.473 5.011 50 30 FKEARN CCc1ccc(/N=C2\c3cc(OC)cc4c3N(C2=O)C(C)(C)C[C@@H]4C)cc1 ZINC000001411200 210349567 /nfs/dbraw/zinc/34/95/67/210349567.db2.gz BDQLENSBJHOIPB-VSSLKNPCSA-N 0 0 362.473 5.011 50 30 FKEARN COc1cccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1O ZINC000001413054 204005327 /nfs/dbraw/zinc/00/53/27/204005327.db2.gz HWLGFGPVNBIKRF-XMTZNVEYSA-N 0 0 368.502 5.236 50 30 FKEARN COc1cccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1O ZINC000001413056 571066675 /nfs/dbraw/zinc/06/66/75/571066675.db2.gz HWLGFGPVNBIKRF-CHOFVFFHSA-N 0 0 368.502 5.236 50 30 FKEARN Cc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 ZINC000001413058 204005689 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Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)C1CC1 ZINC000001431380 210353754 /nfs/dbraw/zinc/35/37/54/210353754.db2.gz CRKZDVKLSHHJBB-INIZCTEOSA-N 0 0 359.256 5.306 50 30 FKEARN Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)C1CC1 ZINC000001431381 570499535 /nfs/dbraw/zinc/49/95/35/570499535.db2.gz CRKZDVKLSHHJBB-MRXNPFEDSA-N 0 0 359.256 5.306 50 30 FKEARN C=CCc1cccc(C=Nc2ccc3[nH]c(-c4ccccc4)nc3c2)c1O ZINC000001433579 519141303 /nfs/dbraw/zinc/14/13/03/519141303.db2.gz GXECLMAWBHWUKE-BUVRLJJBSA-N 0 0 353.425 5.415 50 30 FKEARN Oc1ccc(Cl)cc1/C=N/c1ccc2oc(-c3cccc(F)c3)nc2c1 ZINC000001433909 210353527 /nfs/dbraw/zinc/35/35/27/210353527.db2.gz WZJYADOVGUKETB-FOKLQQMPSA-N 0 0 366.779 5.744 50 30 FKEARN Cc1cc(/C=N/c2ccc(Cl)c(Cl)c2)c(O)c(Br)c1C ZINC000001434351 210352428 /nfs/dbraw/zinc/35/24/28/210352428.db2.gz FDZGYRGOPPPVAG-FBCYGCLPSA-N 0 0 373.077 5.829 50 30 FKEARN Cc1cc(/C=N/c2ccc3ccccc3c2)c(O)c(Br)c1C ZINC000001434363 571077429 /nfs/dbraw/zinc/07/74/29/571077429.db2.gz 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571077812 /nfs/dbraw/zinc/07/78/12/571077812.db2.gz ZBUBXFUJNICXDZ-ZMOGYAJESA-N 0 0 372.424 5.576 50 30 FKEARN Cc1ccc(-c2nc3cc(/N=C/c4cccc([N+](=O)[O-])c4)ccc3o2)cc1C ZINC000001435132 204006486 /nfs/dbraw/zinc/00/64/86/204006486.db2.gz RTZNKPRCNAVNJX-YDZHTSKRSA-N 0 0 371.396 5.770 50 30 FKEARN Cc1ccc(-c2nc3cc(/N=C/c4ccc([N+](=O)[O-])cc4)ccc3o2)cc1C ZINC000001435138 571077859 /nfs/dbraw/zinc/07/78/59/571077859.db2.gz MLDWJOHIFKCQRM-YDZHTSKRSA-N 0 0 371.396 5.770 50 30 FKEARN Cc1ccc(O)c(/C=N/c2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)c1 ZINC000001435140 204006755 /nfs/dbraw/zinc/00/67/55/204006755.db2.gz BZNZGPVZGPTFSX-ZMOGYAJESA-N 0 0 356.425 5.876 50 30 FKEARN COc1ccccc1/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000001435150 204007247 /nfs/dbraw/zinc/00/72/47/204007247.db2.gz SFTAWRDFSFXQER-RGVLZGJSSA-N 0 0 356.765 5.267 50 30 FKEARN Fc1ccc(-c2nc3cc(/N=C/c4ccccc4)ccc3o2)c(Cl)c1 ZINC000001435204 571089507 /nfs/dbraw/zinc/08/95/07/571089507.db2.gz AJFANVPQJRDSCQ-FSJBWODESA-N 0 0 350.780 6.038 50 30 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O=[N+]([O-])c1cccc(-c2ccc(/C=N/c3ccc(-c4ccccc4)cc3)o2)c1 ZINC000001445098 210353550 /nfs/dbraw/zinc/35/35/50/210353550.db2.gz ZIWRIRIEYLEFNN-LFVJCYFKSA-N 0 0 368.392 6.272 50 30 FKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3ccc([N+](=O)[O-])s3)sc2C1 ZINC000001445212 210353739 /nfs/dbraw/zinc/35/37/39/210353739.db2.gz LKOVWLRSDHSYQD-KKBVUKDESA-N 0 0 373.503 5.491 50 30 FKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3ccc([N+](=O)[O-])s3)sc2C1 ZINC000001445214 570500228 /nfs/dbraw/zinc/50/02/28/570500228.db2.gz LKOVWLRSDHSYQD-JZOCJUILSA-N 0 0 373.503 5.491 50 30 FKEARN COc1ccc(C(=O)Oc2ccc(/C=N/c3ccc(C)cc3C)cc2)cc1 ZINC000001445250 523774496 /nfs/dbraw/zinc/77/44/96/523774496.db2.gz PNRKKHCHPSNGQR-BUVRLJJBSA-N 0 0 359.425 5.282 50 30 FKEARN O=[N+]([O-])c1ccc(-c2ccc(/C=N/c3ccc4c5c(cccc53)CC4)o2)cc1 ZINC000001445633 204008196 /nfs/dbraw/zinc/00/81/96/204008196.db2.gz IQHILNHSNNYGDY-ZVHZXABRSA-N 0 0 368.392 5.857 50 30 FKEARN CC1(C)CC(=O)C(=Cc2ccc(-c3ccc(Br)cc3)o2)C(=O)C1 ZINC000001452448 570500560 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Cc1cc(Nc2cc(Cl)cc(Cl)c2)n2c3ccccc3nc2c1C#N ZINC000001467834 571114801 /nfs/dbraw/zinc/11/48/01/571114801.db2.gz KOJSZEIGZRIYMH-UHFFFAOYSA-N 0 0 367.239 5.718 50 30 FKEARN CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(C(C)C)cc1 ZINC000001467891 204009451 /nfs/dbraw/zinc/00/94/51/204009451.db2.gz OTWAOWOTRALQGD-UHFFFAOYSA-N 0 0 368.484 6.097 50 30 FKEARN CCc1ccc(Nc2c(CC)c(C)c(C#N)c3nc4ccccc4n32)cc1 ZINC000001467893 204009698 /nfs/dbraw/zinc/00/96/98/204009698.db2.gz XBUFDAUDTOSPQU-UHFFFAOYSA-N 0 0 354.457 5.536 50 30 FKEARN Cc1c(C#N)c2nc3ccccc3n2c(Cl)c1Cc1ccc(Cl)cc1 ZINC000001467894 210357007 /nfs/dbraw/zinc/35/70/07/210357007.db2.gz XVQARIADCASXJT-UHFFFAOYSA-N 0 0 366.251 5.565 50 30 FKEARN Cc1ccc(Nc2c(C(C)C)c(C)c(C#N)c3nc4ccccc4n32)cc1 ZINC000001467899 219407768 /nfs/dbraw/zinc/40/77/68/219407768.db2.gz OZSOTZFFUYPZNV-UHFFFAOYSA-N 0 0 354.457 5.843 50 30 FKEARN N#Cc1c2nc3ccccc3n2c(Nc2ccc(F)cc2)cc1C(F)(F)F ZINC000001467902 210356362 /nfs/dbraw/zinc/35/63/62/210356362.db2.gz 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Cc1cc(C)cc(Nc2cc(C(C)C)c(C#N)c3nc4ccccc4n32)c1 ZINC000001473002 571118370 /nfs/dbraw/zinc/11/83/70/571118370.db2.gz BWJJSQKQCCUGFB-UHFFFAOYSA-N 0 0 354.457 5.843 50 30 FKEARN COc1cccc(Nc2cc(C(C)C)c(C#N)c3nc4ccccc4n32)c1 ZINC000001473005 571118325 /nfs/dbraw/zinc/11/83/25/571118325.db2.gz APBHIJOTTVEVAK-UHFFFAOYSA-N 0 0 356.429 5.235 50 30 FKEARN CCc1ccc(Nc2cc(C(C)C)c(C#N)c3nc4ccccc4n32)cc1 ZINC000001473006 204009619 /nfs/dbraw/zinc/00/96/19/204009619.db2.gz WUKDKDKAQJZUGD-UHFFFAOYSA-N 0 0 354.457 5.789 50 30 FKEARN CC(C)c1cc(N[C@@H](C)c2ccccc2)n2c3ccccc3nc2c1C#N ZINC000001473007 571117285 /nfs/dbraw/zinc/11/72/85/571117285.db2.gz WIDVGYMQRSUVAI-INIZCTEOSA-N 0 0 354.457 5.656 50 30 FKEARN CC(C)c1cc(N[C@H](C)c2ccccc2)n2c3ccccc3nc2c1C#N ZINC000001473008 571117208 /nfs/dbraw/zinc/11/72/08/571117208.db2.gz WIDVGYMQRSUVAI-MRXNPFEDSA-N 0 0 354.457 5.656 50 30 FKEARN N#Cc1ccc(-c2cccnc2)nc1SCc1ccc(Cl)c(Cl)c1 ZINC000001476121 210356855 /nfs/dbraw/zinc/35/68/55/210356855.db2.gz 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Cc1cc2nc(-c3ccc(/N=C/c4cccc(C)c4O)cc3)oc2cc1C ZINC000001504588 219409604 /nfs/dbraw/zinc/40/96/04/219409604.db2.gz DBWPXUXJNPKQIP-ZMOGYAJESA-N 0 0 356.425 5.876 50 30 FKEARN Oc1ccccc1/C=N/c1ccc2oc(Cc3ccc(Cl)cc3)nc2c1 ZINC000001505742 204010719 /nfs/dbraw/zinc/01/07/19/204010719.db2.gz ULVYEDVYODHWTI-YDZHTSKRSA-N 0 0 362.816 5.528 50 30 FKEARN Clc1ccc(Cn2c3ccccc3nc2/N=C/c2cccs2)cc1 ZINC000001507557 210358310 /nfs/dbraw/zinc/35/83/10/210358310.db2.gz HZDWVGBKGGGCKY-CIAFOILYSA-N 0 0 351.862 5.550 50 30 FKEARN COc1cccc(-c2nc3cc(/N=C/c4ccc([N+](=O)[O-])cc4)ccc3o2)c1 ZINC000001508551 210358069 /nfs/dbraw/zinc/35/80/69/210358069.db2.gz QZFZNMMUUUQVQC-LPYMAVHISA-N 0 0 373.368 5.162 50 30 FKEARN CCOc1ccc(/C=N/c2ccccc2Sc2c(C)n[nH]c2C)cc1 ZINC000001508977 204010512 /nfs/dbraw/zinc/01/05/12/204010512.db2.gz XNDWVQJVJGAENP-FYJGNVAPSA-N 0 0 351.475 5.327 50 30 FKEARN CCOc1ccc(-c2nc3cc(/N=C/c4ccccc4O)ccc3o2)cc1 ZINC000001511721 219409918 /nfs/dbraw/zinc/40/99/18/219409918.db2.gz 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N#Cc1ccc(-c2csc(NC(=O)c3ccc(Cl)cc3Cl)n2)cc1 ZINC000001518509 571130357 /nfs/dbraw/zinc/13/03/57/571130357.db2.gz ITPURNMUNPDJMY-UHFFFAOYSA-N 0 0 374.252 5.241 50 30 FKEARN O=C1CCCC2=C1C(c1ccc(Cl)c(Cl)c1)C1=C(CCCC1=O)O2 ZINC000001587258 204014243 /nfs/dbraw/zinc/01/42/43/204014243.db2.gz XEGIHXBUQKLJQW-UHFFFAOYSA-N 0 0 363.240 5.121 50 30 FKEARN c1ccc(C(=NN=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000001593919 571132088 /nfs/dbraw/zinc/13/20/88/571132088.db2.gz VQSIVLYYQQCXAF-UHFFFAOYSA-N 0 0 360.460 5.977 50 30 FKEARN COc1ccc(C(=O)C[C@@H](c2ccccc2)[C@@H](C#N)c2ccccc2)cc1 ZINC000001666623 263144267 /nfs/dbraw/zinc/14/42/67/263144267.db2.gz ICPIEEOWUSSCGW-GOTSBHOMSA-N 0 0 355.437 5.359 50 30 FKEARN COc1ccc(C(=O)C[C@H](c2ccccc2)[C@@H](C#N)c2ccccc2)cc1 ZINC000001666624 263144349 /nfs/dbraw/zinc/14/43/49/263144349.db2.gz ICPIEEOWUSSCGW-PKTZIBPZSA-N 0 0 355.437 5.359 50 30 FKEARN COc1ccc(C(=O)C[C@@H](c2ccccc2)[C@H](C#N)c2ccccc2)cc1 ZINC000001666625 263144245 /nfs/dbraw/zinc/14/42/45/263144245.db2.gz ICPIEEOWUSSCGW-XZOQPEGZSA-N 0 0 355.437 5.359 50 30 FKEARN COc1ccc(C(=O)C[C@H](c2ccccc2)[C@H](C#N)c2ccccc2)cc1 ZINC000001666626 263144342 /nfs/dbraw/zinc/14/43/42/263144342.db2.gz ICPIEEOWUSSCGW-DHIUTWEWSA-N 0 0 355.437 5.359 50 30 FKEARN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC=C(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000001670223 263144235 /nfs/dbraw/zinc/14/42/35/263144235.db2.gz MZWRIOUCMXPLKV-DEKZOMOFSA-N 0 0 356.506 5.006 50 30 in-vitro FKEARN O=C1ON(c2ccccc2)[C@H](c2ccccc2)N1c1cccc(Cl)c1 ZINC000001680120 571163237 /nfs/dbraw/zinc/16/32/37/571163237.db2.gz QUPSUYWJGHGWMZ-LJQANCHMSA-N 0 0 350.805 5.417 50 30 FKEARN O=C1ON(c2ccccc2)[C@H](c2ccccc2)N1c1ccc(Cl)cc1 ZINC000001680121 204016852 /nfs/dbraw/zinc/01/68/52/204016852.db2.gz NKAYBLHJUYBILQ-LJQANCHMSA-N 0 0 350.805 5.417 50 30 FKEARN CCCCCCCCCOc1ccc(/C=N/c2ccc(CC)cc2)cc1 ZINC000001692755 263144384 /nfs/dbraw/zinc/14/43/84/263144384.db2.gz JSULNRYOPRWGFZ-LKUDQCMESA-N 0 0 351.534 7.129 50 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VRPLUERVURYLLD-UHFFFAOYSA-N 0 0 356.535 6.353 50 30 FKEARN C(=N/CCc1ccccc1)\c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000001763845 518377173 /nfs/dbraw/zinc/37/71/73/518377173.db2.gz SUWFGTKVPBUUKK-XQNSMLJCSA-N 0 0 357.482 5.262 50 30 FKEARN CC(C)(C)c1cc(C=C2C(=O)c3ccccc3C2=O)cc(C(C)(C)C)c1O ZINC000001764157 210370348 /nfs/dbraw/zinc/37/03/48/210370348.db2.gz ILEVUAQYAJZPCR-UHFFFAOYSA-N 0 0 362.469 5.450 50 30 FKEARN C=CCOc1ccc2c(c1)occ(Oc1ccc(-c3ccccc3)cc1)c2=O ZINC000001771695 209391868 /nfs/dbraw/zinc/39/18/68/209391868.db2.gz CUGBIWROSFZFSS-UHFFFAOYSA-N 0 0 370.404 5.817 50 30 FKEARN CC(C)(C)c1ccc(C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 ZINC000001771893 210369223 /nfs/dbraw/zinc/36/92/23/210369223.db2.gz PNRTWJVLGUHAJC-UHFFFAOYSA-N 0 0 352.503 5.438 50 30 FKEARN C=CCN(CC=C)c1nc(-c2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000001773051 210149440 /nfs/dbraw/zinc/14/94/40/210149440.db2.gz ZUSTTWSTJBAIJC-UHFFFAOYSA-N 0 0 370.283 5.782 50 30 FKEARN C=CCOc1ccc2c(c1)occ(Oc1cc(C)c(Cl)c(C)c1)c2=O ZINC000001775058 571192705 /nfs/dbraw/zinc/19/27/05/571192705.db2.gz RHTGLFUCKIRGMU-UHFFFAOYSA-N 0 0 356.805 5.420 50 30 FKEARN Clc1ccc(CS/C(=N\c2ccccc2)Nc2ccccc2)cc1 ZINC000001779601 526951997 /nfs/dbraw/zinc/95/19/97/526951997.db2.gz RLKDBCPBCMUWJR-UHFFFAOYSA-N 0 0 352.890 6.373 50 30 FKEARN Cc1ccc(CSc2nncn2/N=C/c2ccc(C(C)(C)C)cc2)cc1 ZINC000001780641 524651819 /nfs/dbraw/zinc/65/18/19/524651819.db2.gz FPUDJZHYUKTRFS-YDZHTSKRSA-N 0 0 364.518 5.059 50 30 FKEARN Clc1ccc(S/N=C(\c2ccccc2)C(Cl)(Cl)Cl)cc1 ZINC000001782840 219418924 /nfs/dbraw/zinc/41/89/24/219418924.db2.gz COONVMKQDQLNRX-CPNJWEJPSA-N 0 0 365.112 6.207 50 30 FKEARN C(=N/n1c2ccccc2c2ccccc21)\c1c2ccccc2cc2ccccc21 ZINC000001787299 204019609 /nfs/dbraw/zinc/01/96/09/204019609.db2.gz BNNMKZHFNBCCRX-MTDXEUNCSA-N 0 0 370.455 6.983 50 30 FKEARN [S-]C(NN=Cc1c(Cl)ccc(Cl)c1Cl)=[NH+]c1ccccc1 ZINC000001789303 571193379 /nfs/dbraw/zinc/19/33/79/571193379.db2.gz BBYDHYHUAYGGKC-QGMBQPNBSA-N 0 0 358.681 5.379 50 30 FKEARN CCCCCCCCn1c2ccccc2nc1NCc1ccccc1O 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O=[N+]([O-])c1ccc(SN=C(c2ccc(F)cc2)c2ccc(F)cc2)cc1 ZINC000001820542 571197425 /nfs/dbraw/zinc/19/74/25/571197425.db2.gz UUUYYYKDFSAOCP-UHFFFAOYSA-N 0 0 370.380 5.418 50 30 FKEARN CCCCCCCCC(=O)Nc1sc2c(c1C(=O)OCC)CCCC2 ZINC000001820894 204020628 /nfs/dbraw/zinc/02/06/28/204020628.db2.gz RWBFVZAVUSCOCS-UHFFFAOYSA-N 0 0 365.539 5.493 50 30 FKEARN CCCCCCCCC(=O)Oc1ccc2c(C)c(CCC)c(=O)oc2c1 ZINC000001826812 210371455 /nfs/dbraw/zinc/37/14/55/210371455.db2.gz CHEINBKJYRQAQU-UHFFFAOYSA-N 0 0 358.478 5.710 50 30 FKEARN CN1c2ccccc2N(C)C1=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1 ZINC000001831645 204021688 /nfs/dbraw/zinc/02/16/88/204021688.db2.gz YTPPWAKXWMUSHZ-UHFFFAOYSA-N 0 0 350.506 5.312 50 30 FKEARN CCCCCCCCOc1ccc(/C=N/c2cccc3ccccc32)cc1 ZINC000001832603 520043982 /nfs/dbraw/zinc/04/39/82/520043982.db2.gz UMDYRRSCXSSLDI-LHLOQNFPSA-N 0 0 359.513 7.330 50 30 FKEARN Cc1ccc(N=CC=C(Nc2ccc(C)cc2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001833489 571197778 /nfs/dbraw/zinc/19/77/78/571197778.db2.gz 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CCc1ccc(-n2c(C)cc(C=NN=c3[nH]c4ccccc4s3)c2C)cc1 ZINC000001859209 571198445 /nfs/dbraw/zinc/19/84/45/571198445.db2.gz IKGMCAZWBSYBJM-OEAKJJBVSA-N 0 0 374.513 5.134 50 30 FKEARN CSc1ccc(/C=N/c2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 ZINC000001878541 210372404 /nfs/dbraw/zinc/37/24/04/210372404.db2.gz YHZHGONIXFVHTD-OEAKJJBVSA-N 0 0 374.534 6.744 50 30 FKEARN Clc1ccc(/C=N/c2ccc3oc(-c4ccc(Cl)cc4)nc3c2)cc1 ZINC000001881354 204022367 /nfs/dbraw/zinc/02/23/67/204022367.db2.gz OIUMNZIKJZDQET-FSJBWODESA-N 0 0 367.235 6.552 50 30 FKEARN Oc1ccc(Br)cc1/C=N/n1c2ccccc2c2ccccc21 ZINC000001881716 204022025 /nfs/dbraw/zinc/02/20/25/204022025.db2.gz RYKVXAXJRLHLIL-CIAFOILYSA-N 0 0 365.230 5.145 50 30 FKEARN Oc1ccc(Cl)cc1/C=N/c1cccc(-c2nc3ccccc3s2)c1 ZINC000001881819 210373237 /nfs/dbraw/zinc/37/32/37/210373237.db2.gz VLJHYAFWURDJCG-WSDLNYQXSA-N 0 0 364.857 6.073 50 30 FKEARN CCCCCCCCOc1ccc(/C=N/[C@@H](C)c2ccccc2)c(O)c1 ZINC000001881955 204022676 /nfs/dbraw/zinc/02/26/76/204022676.db2.gz 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364.489 6.315 50 30 FKEARN N#Cc1c(SCc2ccccc2)nc2c(c1-c1ccc(O)cc1)CCCC2 ZINC000002027094 571206783 /nfs/dbraw/zinc/20/67/83/571206783.db2.gz ASRZGVFSLGKJPI-UHFFFAOYSA-N 0 0 372.493 5.497 50 30 FKEARN CCCCCCCc1ccc(-c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000002027979 206900225 /nfs/dbraw/zinc/90/02/25/206900225.db2.gz FREAGWUUUKPPHJ-UHFFFAOYSA-N 0 0 365.433 5.825 50 30 FKEARN CCCCCCCCOc1ccc(/C=C2\COc3ccccc3C2=O)cc1 ZINC000002028344 570512039 /nfs/dbraw/zinc/51/20/39/570512039.db2.gz BAVUBIDCTYEJAN-LVZFUZTISA-N 0 0 364.485 6.085 50 30 FKEARN O=C1c2cccc3c(C#Cc4ccccc4)ccc(c32)C(=O)N1c1ccccc1 ZINC000002028540 132373600 /nfs/dbraw/zinc/37/36/00/132373600.db2.gz LRYUUDFXNMTRAI-UHFFFAOYSA-N 0 0 373.411 5.040 50 30 FKEARN CCCCCC12CCC(COS(=O)(=O)c3ccc(C)cc3)(CC1)CC2 ZINC000002049210 519946457 /nfs/dbraw/zinc/94/64/57/519946457.db2.gz FLKXPOVEJPDGRX-UHFFFAOYSA-N 0 0 364.551 5.621 50 30 FKEARN CCCCCCC12CCC(c3ccc(-c4ccc(C#N)cc4)cc3)(CC1)CC2 ZINC000002049213 571213216 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N#Cc1c(/N=C/c2ccc(C#N)cc2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000002055562 204025513 /nfs/dbraw/zinc/02/55/13/204025513.db2.gz XLBNJFUGGZDXIP-OGLMXYFKSA-N 0 0 373.415 6.108 50 30 FKEARN CCCCCCCCSc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000002055816 204024780 /nfs/dbraw/zinc/02/47/80/204024780.db2.gz JKLACXYOKPPJLS-UHFFFAOYSA-N 0 0 359.322 6.496 50 30 FKEARN CCCCCCCOc1ccccc1/C=C1/C(=O)ON=C1c1ccccc1 ZINC000002056149 210378870 /nfs/dbraw/zinc/37/88/70/210378870.db2.gz QWFJPWOYGCCZPE-LVZFUZTISA-N 0 0 363.457 5.380 50 30 FKEARN CCn1c2ccccc2c2cc(/C=N/c3ccc(Cl)cc3Cl)ccc21 ZINC000002057078 570512632 /nfs/dbraw/zinc/51/26/32/570512632.db2.gz NDTZLPSKDNLSMH-ZMOGYAJESA-N 0 0 367.279 6.872 50 30 FKEARN COc1ccc(/C=N/N=C/c2ccc(OC)c3ccccc23)c2ccccc12 ZINC000002058016 570512727 /nfs/dbraw/zinc/51/27/27/570512727.db2.gz DGGJELVUDZMZCT-RYQLWAFASA-N 0 0 368.436 5.463 50 30 FKEARN CCCCCCCc1ccc(-c2nc(-c3ccccc3Cl)no2)cc1 ZINC000002058484 204024787 /nfs/dbraw/zinc/02/47/87/204024787.db2.gz IOKKXVKDLKMIEO-UHFFFAOYSA-N 0 0 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Cc1ccc(/C=C2\CC(C(C)(C)C)C/C(=C/c3ccc(C)cc3)C2=O)cc1 ZINC000002063771 204025427 /nfs/dbraw/zinc/02/54/27/204025427.db2.gz GTZKYGBEJDVTBS-OQRYGUKSSA-N 0 0 358.525 6.796 50 30 FKEARN CCCCCCCCC(=O)NN1c2ccccc2CCc2ccccc21 ZINC000002066263 519973795 /nfs/dbraw/zinc/97/37/95/519973795.db2.gz SOIIVRHVOKOAEZ-UHFFFAOYSA-N 0 0 350.506 5.705 50 30 FKEARN Clc1ccc(/C=C/C=N/c2ccc3c4c(cccc42)CC3)c(Cl)c1 ZINC000002067227 570513141 /nfs/dbraw/zinc/51/31/41/570513141.db2.gz CZNLFQPEHPMXGP-AMKUCRCLSA-N 0 0 352.264 6.661 50 30 FKEARN O=C1c2ccccc2S/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000002068762 210379038 /nfs/dbraw/zinc/37/90/38/210379038.db2.gz ZKZPAFSZMQHXPW-ZDLGFXPLSA-N 0 0 373.260 6.583 50 30 FKEARN CCCCCCCCCCCCc1nc2c(o1)c1ccccc1[nH]c2=O ZINC000002069028 520015309 /nfs/dbraw/zinc/01/53/09/520015309.db2.gz KSJMDNXGJSPVOM-UHFFFAOYSA-N 0 0 354.494 6.133 50 30 FKEARN Cc1ccc(Cl)cc1-c1ccc(/C=N/c2cc(C(C)(C)C)ccc2O)o1 ZINC000002069973 210379168 /nfs/dbraw/zinc/37/91/68/210379168.db2.gz 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C=CCSc1nc2sc3c(c2c(=O)n1CC1CCCCC1)CCCC3 ZINC000002081252 210150812 /nfs/dbraw/zinc/15/08/12/210150812.db2.gz XNTQWLLQRYTKLM-UHFFFAOYSA-N 0 0 374.575 5.195 50 30 FKEARN CCCCCCCCNC(=O)c1cc(-c2ccc(C)o2)nc2ccccc21 ZINC000002081678 570513863 /nfs/dbraw/zinc/51/38/63/570513863.db2.gz YFBNZZITQZTLLP-UHFFFAOYSA-N 0 0 364.489 5.894 50 30 FKEARN C=CCNc1oc(-c2ccc(OCc3ccc(Cl)cc3)cc2)nc1C#N ZINC000002082568 571124563 /nfs/dbraw/zinc/12/45/63/571124563.db2.gz KQMDXCJPDYOHES-UHFFFAOYSA-N 0 0 365.820 5.044 50 30 FKEARN N#Cc1c(NC(=O)/C=C/c2ccc(F)cc2)sc2c1CCCCCC2 ZINC000002082951 204025810 /nfs/dbraw/zinc/02/58/10/204025810.db2.gz BXCRTTPJTAZNQT-FMIVXFBMSA-N 0 0 354.450 5.070 50 30 FKEARN CCCCCCCC(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000002084372 204026573 /nfs/dbraw/zinc/02/65/73/204026573.db2.gz XALKAXXRXAJOCX-UHFFFAOYSA-N 0 0 371.333 6.416 50 30 FKEARN CCCC[C@@H](CC)C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000002084420 204026678 /nfs/dbraw/zinc/02/66/78/204026678.db2.gz GCOKZAPIFFDGBD-CABCVRRESA-N 0 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CC[C@H](Oc1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCCCC2 ZINC000002095363 210380348 /nfs/dbraw/zinc/38/03/48/210380348.db2.gz IWVVRIRGYLNHPD-SFHVURJKSA-N 0 0 368.502 5.075 50 30 FKEARN CC[C@@H](Oc1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCCCC2 ZINC000002095365 204026359 /nfs/dbraw/zinc/02/63/59/204026359.db2.gz IWVVRIRGYLNHPD-GOSISDBHSA-N 0 0 368.502 5.075 50 30 FKEARN C=C(C)COc1ccc2c(c1)oc(C)c(Oc1ccccc1OCC)c2=O ZINC000002099209 206740675 /nfs/dbraw/zinc/74/06/75/206740675.db2.gz QNUAQCYHKGSWRC-UHFFFAOYSA-N 0 0 366.413 5.247 50 30 FKEARN CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000002100488 210227296 /nfs/dbraw/zinc/22/72/96/210227296.db2.gz YFMSIVMSEGIVCP-HTVUKHQJSA-N 0 0 358.522 5.086 50 30 FKEARN N#Cc1c2c(c(C(F)(F)F)nc1SCc1ccc(Cl)cc1)CCC2 ZINC000002103269 210380779 /nfs/dbraw/zinc/38/07/79/210380779.db2.gz ZGUQADPGBZQMJY-UHFFFAOYSA-N 0 0 368.811 5.406 50 30 FKEARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC=C(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000002105100 560186457 /nfs/dbraw/zinc/18/64/57/560186457.db2.gz MZWRIOUCMXPLKV-RFOVXIPZSA-N 0 0 356.506 5.006 50 30 in-vitro FKEARN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C3C(C)(C)C3(C)C)sc2C1 ZINC000002105183 210380455 /nfs/dbraw/zinc/38/04/55/210380455.db2.gz IRKNGVIFJXOHEZ-ZDUSSCGKSA-N 0 0 372.578 5.782 50 30 FKEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C3C(C)(C)C3(C)C)sc2C1 ZINC000002105185 204026691 /nfs/dbraw/zinc/02/66/91/204026691.db2.gz IRKNGVIFJXOHEZ-CYBMUJFWSA-N 0 0 372.578 5.782 50 30 FKEARN O=C(Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O)c1ccccc1 ZINC000002106400 571277647 /nfs/dbraw/zinc/27/76/47/571277647.db2.gz ZQEMDHRHIVJUIN-VIBAAIGISA-N 0 0 368.388 5.078 50 30 FKEARN C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(C)=C/CC[C@H](C)OC(C)=O ZINC000002106583 571277672 /nfs/dbraw/zinc/27/76/72/571277672.db2.gz FCPHMAOZUSIKSS-YUDLMIBUSA-N 0 0 374.609 7.244 50 30 FKEARN C=CCOc1ccc(/C=C/[C@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1 ZINC000002108430 519012845 /nfs/dbraw/zinc/01/28/45/519012845.db2.gz 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ZINC000002118206 219427052 /nfs/dbraw/zinc/42/70/52/219427052.db2.gz WXAUIDOTLKCNBH-UHFFFAOYSA-N 0 0 371.465 5.302 50 30 FKEARN N#Cc1c(SCCOc2ccccc2)nc2c(c1-c1ccccc1)CCC2 ZINC000002119209 210380528 /nfs/dbraw/zinc/38/05/28/210380528.db2.gz YKSXYTYKADWNDT-UHFFFAOYSA-N 0 0 372.493 5.280 50 30 FKEARN CC(C)(C)N=C(Nc1ccccc1)C(=NC(C)(C)C)Nc1ccccc1 ZINC000002123101 570514484 /nfs/dbraw/zinc/51/44/84/570514484.db2.gz MGSYLPLZXWIMQE-UHFFFAOYSA-N 0 0 350.510 5.414 50 30 FKEARN CCc1ccc(C(=O)C=CNc2ccc(Br)c(Cl)c2)cc1 ZINC000002128643 570514815 /nfs/dbraw/zinc/51/48/15/570514815.db2.gz FFBKFFJHAYZVKM-MDZDMXLPSA-N 0 0 364.670 5.473 50 30 FKEARN CCN(CC)c1ccc(/C=N/c2ccc(Br)c(Cl)c2)cc1 ZINC000002131551 210380501 /nfs/dbraw/zinc/38/05/01/210380501.db2.gz VFXZMCUBDGEUGW-UDWIEESQSA-N 0 0 365.702 5.699 50 30 FKEARN C=CCCCCCCCCC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000002131810 518697522 /nfs/dbraw/zinc/69/75/22/518697522.db2.gz OSIIKZDTSZFZME-UHFFFAOYSA-N 0 0 362.728 6.892 50 30 FKEARN Clc1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)c(Cl)c1 ZINC000002133871 210380562 /nfs/dbraw/zinc/38/05/62/210380562.db2.gz NQVCMFKHWIUQBI-YDZHTSKRSA-N 0 0 356.252 6.323 50 30 FKEARN Clc1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1Cl ZINC000002133901 206902100 /nfs/dbraw/zinc/90/21/00/206902100.db2.gz YHSUQKADQCTZIR-YDZHTSKRSA-N 0 0 356.252 6.323 50 30 FKEARN CC(=O)c1cccc(N=Cc2ccc(OC(=O)Nc3ccccc3)cc2)c1 ZINC000002141287 571132468 /nfs/dbraw/zinc/13/24/68/571132468.db2.gz BDHRXYRWPXNMLH-HZHRSRAPSA-N 0 0 358.397 5.251 50 30 FKEARN O=C(Nc1cccc2ccccc21)ON=C1c2ccccc2-c2ccccc21 ZINC000002143253 570515254 /nfs/dbraw/zinc/51/52/54/570515254.db2.gz PFNQVRZLDWYSCW-UHFFFAOYSA-N 0 0 364.404 5.821 50 30 FKEARN Brc1cccc(/N=C/c2ccc(OCc3ccccc3)cc2)c1 ZINC000002147038 219429101 /nfs/dbraw/zinc/42/91/01/219429101.db2.gz XBMJUNAICBPTLR-HYARGMPZSA-N 0 0 366.258 5.779 50 30 FKEARN FC(F)(F)c1ccccc1/N=C/c1ccc(OCc2ccccc2)cc1 ZINC000002147299 571132418 /nfs/dbraw/zinc/13/24/18/571132418.db2.gz SVKKDJPGYCKAJV-AFUMVMLFSA-N 0 0 355.359 6.035 50 30 FKEARN O/N=C/Nc1ccccc1Sc1nc2c(cc(Cl)cc2Cl)s1 ZINC000002147632 210381892 /nfs/dbraw/zinc/38/18/92/210381892.db2.gz HTHIUAUWSDGISH-UHFFFAOYSA-N 0 0 370.286 5.584 50 30 FKEARN Clc1cccc(/C=N/c2ccc(/N=C/c3cccc(Cl)c3)cc2)c1 ZINC000002147816 204027315 /nfs/dbraw/zinc/02/73/15/204027315.db2.gz LKMLDXGLFVAYMW-RNIAWFEPSA-N 0 0 353.252 6.495 50 30 FKEARN Cc1c(/C=N/NC(=S)Nc2ccc(Cl)cc2)sc2ccccc12 ZINC000002151502 570515533 /nfs/dbraw/zinc/51/55/33/570515533.db2.gz BJLJEVXPVSSWTG-VXLYETTFSA-N 0 0 359.907 5.184 50 30 FKEARN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(F)cccc1F ZINC000002151934 570515593 /nfs/dbraw/zinc/51/55/93/570515593.db2.gz QEXHTYZPTMWCGX-UHFFFAOYSA-N 0 0 369.211 5.255 50 30 FKEARN COc1nc2c(c(-c3ccc(C(F)(F)F)cc3)c1C#N)Cc1ccccc1-2 ZINC000002153275 210381308 /nfs/dbraw/zinc/38/13/08/210381308.db2.gz AGWPCIOXRXSMED-UHFFFAOYSA-N 0 0 366.342 5.219 50 30 FKEARN C=C(C)COc1cc(OCC(=C)C)c2c(c1)oc(=O)cc2-c1ccccc1 ZINC000002154165 204027749 /nfs/dbraw/zinc/02/77/49/204027749.db2.gz 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571124518 /nfs/dbraw/zinc/12/45/18/571124518.db2.gz PYRGQTXBEQMMPU-JOCHJYFZSA-N 0 0 358.868 6.683 50 30 FKEARN CC(C)(C)c1cc(/C=N/c2nc3ccccc3s2)c(O)c(C(C)(C)C)c1 ZINC000002157792 570515633 /nfs/dbraw/zinc/51/56/33/570515633.db2.gz PPGVFYDSILRJGW-YDZHTSKRSA-N 0 0 366.530 6.348 50 30 FKEARN CCCCCCCCc1ccc2c(c1)Cc1cc(Br)ccc1-2 ZINC000002159216 570515565 /nfs/dbraw/zinc/51/55/65/570515565.db2.gz SCBMLMNRPDAENK-UHFFFAOYSA-N 0 0 357.335 6.923 50 30 FKEARN Cc1cc2c(cc1C)CSC(c1ccc(N(C)CCC#N)cc1)SC2 ZINC000002160517 570515608 /nfs/dbraw/zinc/51/56/08/570515608.db2.gz HLEHESJBBYIPOF-UHFFFAOYSA-N 0 0 368.571 5.832 50 30 FKEARN N#CCCSc1ccccc1NC(=O)[C@@H](c1ccccc1)C1CCCC1 ZINC000002160858 570516025 /nfs/dbraw/zinc/51/60/25/570516025.db2.gz SRIXYTDQCFKDLL-NRFANRHFSA-N 0 0 364.514 5.605 50 30 FKEARN N#CCCSc1ccccc1NC(=O)[C@H](c1ccccc1)C1CCCC1 ZINC000002160862 570515994 /nfs/dbraw/zinc/51/59/94/570515994.db2.gz SRIXYTDQCFKDLL-OAQYLSRUSA-N 0 0 364.514 5.605 50 30 FKEARN Brc1cccc(/N=C/c2c3ccccc3cc3ccccc32)c1 ZINC000002162227 570515945 /nfs/dbraw/zinc/51/59/45/570515945.db2.gz XRWLGYQQQRPISF-OEAKJJBVSA-N 0 0 360.254 6.506 50 30 FKEARN Clc1ccc(/N=C/c2c3ccccc3cc3ccccc32)cc1Cl ZINC000002162234 571132424 /nfs/dbraw/zinc/13/24/24/571132424.db2.gz AHHUSMSITDEKEM-ZMOGYAJESA-N 0 0 350.248 7.050 50 30 FKEARN Brc1ccc(/N=C/c2c3ccccc3cc3ccccc32)cc1 ZINC000002162245 204027582 /nfs/dbraw/zinc/02/75/82/204027582.db2.gz CDTZFJKBRMQGOT-OEAKJJBVSA-N 0 0 360.254 6.506 50 30 FKEARN CCCCCCCCCCCC1=C(OC(C)=O)C(=O)c2ccccc2C1=O ZINC000002162391 571132405 /nfs/dbraw/zinc/13/24/05/571132405.db2.gz LTMDUBOQZSFWBK-UHFFFAOYSA-N 0 0 370.489 5.804 50 30 FKEARN O=C(ON=C(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000002163173 570515982 /nfs/dbraw/zinc/51/59/82/570515982.db2.gz CAZWUIUAAKJBGO-UHFFFAOYSA-N 0 0 371.770 5.228 50 30 FKEARN CCOC(=O)c1ccc(/N=C/c2c3ccccc3cc3ccccc32)cc1 ZINC000002163907 219430625 /nfs/dbraw/zinc/43/06/25/219430625.db2.gz UQRGFVZIZCBTMJ-PCLIKHOPSA-N 0 0 353.421 5.920 50 30 FKEARN O=[N+]([O-])c1cccc(/C=N/c2ccc(/N=C\c3cccc([N+](=O)[O-])c3)cc2)c1 ZINC000002164866 570516028 /nfs/dbraw/zinc/51/60/28/570516028.db2.gz NIGSPDMFTXJDPP-VOKWCDJLSA-N 0 0 374.356 5.004 50 30 FKEARN O=[N+]([O-])c1ccc(Cl)c(/C=N/c2cc(Cl)c(Cl)cc2Cl)c1 ZINC000002164889 571132357 /nfs/dbraw/zinc/13/23/57/571132357.db2.gz JVACUKISAHBOII-NGYBGAFCSA-N 0 0 364.015 5.959 50 30 FKEARN C=CCOc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000002165202 206154386 /nfs/dbraw/zinc/15/43/86/206154386.db2.gz YTPKEXOPKHQCEJ-SFQUDFHCSA-N 0 0 371.845 5.146 50 30 FKEARN C=CCOc1ccc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000002165204 571124619 /nfs/dbraw/zinc/12/46/19/571124619.db2.gz YTPKEXOPKHQCEJ-ATVHPVEESA-N 0 0 371.845 5.146 50 30 FKEARN CCCCCCCCCC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000002165529 570618327 /nfs/dbraw/zinc/61/83/27/570618327.db2.gz XYYQQTISXIFANP-UHFFFAOYSA-N 0 0 350.717 6.726 50 30 FKEARN COc1ccc(/N=C/c2ccc(/C=N/c3ccc(OC)cc3C)cc2)c(C)c1 ZINC000002165674 571132479 /nfs/dbraw/zinc/13/24/79/571132479.db2.gz MYKMMTBKEFNMIY-RYQLWAFASA-N 0 0 372.468 5.822 50 30 FKEARN Cc1cc(C)c(/N=C/c2ccc(/C=N/c3cc(C)c(C)cc3C)cc2)cc1C ZINC000002165754 571132474 /nfs/dbraw/zinc/13/24/74/571132474.db2.gz CPGDPLNDPONGJS-DPCVLPDWSA-N 0 0 368.524 7.038 50 30 FKEARN CC(C)c1ccc(/C=N/c2ccc(/N=C/c3ccc(C(C)C)cc3)cc2)cc1 ZINC000002165956 571132441 /nfs/dbraw/zinc/13/24/41/571132441.db2.gz UKSZYLXLIVVNAI-XUIWWLCJSA-N 0 0 368.524 7.435 50 30 FKEARN CCOc1ccccc1/N=C/c1ccc(/C=N/c2ccccc2OCC)cc1 ZINC000002166351 570515875 /nfs/dbraw/zinc/51/58/75/570515875.db2.gz ZIVIJNSSKLLWQC-RPCRKUJJSA-N 0 0 372.468 5.985 50 30 FKEARN CCCCCCCOc1ccc([N+](=O)[O-])cc1COc1c(C)cccc1C ZINC000002166686 570515882 /nfs/dbraw/zinc/51/58/82/570515882.db2.gz DBLVDYVJJWHVJK-UHFFFAOYSA-N 0 0 371.477 6.140 50 30 FKEARN CCCCCCCCCCOc1ccc(/C=N/c2ccc(C)cc2)cc1 ZINC000002168750 570516035 /nfs/dbraw/zinc/51/60/35/570516035.db2.gz JVFSSZJROUJXJD-LKUDQCMESA-N 0 0 351.534 7.265 50 30 FKEARN Clc1cc(Cl)cc(/N=C/c2c3ccccc3cc3ccccc32)c1 ZINC000002171031 210381125 /nfs/dbraw/zinc/38/11/25/210381125.db2.gz BRAAFQHGAGSXHU-ZMOGYAJESA-N 0 0 350.248 7.050 50 30 FKEARN Clc1cccc(/N=C/c2c3ccccc3cc3ccccc32)c1Cl ZINC000002171035 571132431 /nfs/dbraw/zinc/13/24/31/571132431.db2.gz KWOCDLHSBCEWGE-ZMOGYAJESA-N 0 0 350.248 7.050 50 30 FKEARN Clc1ccc(Cl)c(/N=C/c2c3ccccc3cc3ccccc32)c1 ZINC000002171114 571132394 /nfs/dbraw/zinc/13/23/94/571132394.db2.gz WRNODUWKJHBIFO-ZMOGYAJESA-N 0 0 350.248 7.050 50 30 FKEARN Cc1cc(Br)ccc1/N=C/c1c2ccccc2cc2ccccc21 ZINC000002171172 206742750 /nfs/dbraw/zinc/74/27/50/206742750.db2.gz DBKLYOVFAMCVLK-ZVHZXABRSA-N 0 0 374.281 6.815 50 30 FKEARN COc1ccc([N+](=O)[O-])cc1/N=C/c1c2ccccc2cc2ccccc21 ZINC000002171236 571132482 /nfs/dbraw/zinc/13/24/82/571132482.db2.gz UBOUWMKGXKBGAQ-OEAKJJBVSA-N 0 0 356.381 5.660 50 30 FKEARN Brc1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1 ZINC000002171348 570516018 /nfs/dbraw/zinc/51/60/18/570516018.db2.gz NDPVPHKWMLFGBU-HYARGMPZSA-N 0 0 366.258 5.779 50 30 FKEARN FC(F)(F)c1cccc(/N=C/c2ccc(OCc3ccccc3)cc2)c1 ZINC000002171351 210151297 /nfs/dbraw/zinc/15/12/97/210151297.db2.gz SPQMAOSIRSFMIH-AFUMVMLFSA-N 0 0 355.359 6.035 50 30 FKEARN Clc1ccc(/C=N/c2cc(Cl)c(Cl)cc2Cl)cc1Cl ZINC000002171395 210150559 /nfs/dbraw/zinc/15/05/59/210150559.db2.gz FWRHOXSZFCHOCQ-KPSZGOFPSA-N 0 0 353.463 6.704 50 30 FKEARN Cc1cc(/N=C/c2c3ccccc3cc3ccccc32)ccc1Br ZINC000002171480 571132379 /nfs/dbraw/zinc/13/23/79/571132379.db2.gz ZKHZDSYDEMUEOO-ZVHZXABRSA-N 0 0 374.281 6.815 50 30 FKEARN CCOc1nc(-c2ccc(Cl)cc2)cc(-c2cccc(OC)c2)c1C#N ZINC000002171720 571283042 /nfs/dbraw/zinc/28/30/42/571283042.db2.gz NMWGVVSVUVHBAI-UHFFFAOYSA-N 0 0 364.832 5.348 50 30 FKEARN COc1nc(-c2ccccc2)cc(-c2ccc(Cl)c(Cl)c2)c1C#N ZINC000002171723 210382124 /nfs/dbraw/zinc/38/21/24/210382124.db2.gz UKGABMWNKHSIAL-UHFFFAOYSA-N 0 0 355.224 5.603 50 30 FKEARN CCCCCCCCCCN1c2ccccc2S(=O)(=O)c2ccccc21 ZINC000002173296 571279640 /nfs/dbraw/zinc/27/96/40/571279640.db2.gz 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CC(C)(C)c1ccc(C(C)(C)C)c(/N=C/c2c(O)ccc3ccccc32)c1 ZINC000002182797 204028422 /nfs/dbraw/zinc/02/84/22/204028422.db2.gz QTKBXMTVLSGLRS-WGOQTCKBSA-N 0 0 359.513 6.891 50 30 FKEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCCC3 ZINC000002183015 571124541 /nfs/dbraw/zinc/12/45/41/571124541.db2.gz UIDBORIVBOIYLE-UHFFFAOYSA-N 0 0 374.575 5.510 50 30 FKEARN C=CCn1c(SCCCCCCC)nc2sc3c(c2c1=O)CCC3 ZINC000002183030 570516206 /nfs/dbraw/zinc/51/62/06/570516206.db2.gz BHCDMWCCVWGBIG-UHFFFAOYSA-N 0 0 362.564 5.195 50 30 FKEARN N#CC1(C#N)[C@H](c2ccccc2)[C@@H](c2ccccc2)[C@@H]2c3ccccc3C=CN21 ZINC000002184596 219430805 /nfs/dbraw/zinc/43/08/05/219430805.db2.gz WHKQZNQVYSYXJO-SDHSZQHLSA-N 0 0 373.459 5.381 50 30 FKEARN CCCCCCCOc1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1 ZINC000002186772 210383911 /nfs/dbraw/zinc/38/39/11/210383911.db2.gz CKZDRAIDIGDKHT-HEHNFIMWSA-N 0 0 363.457 5.380 50 30 FKEARN CCCCCCCOc1ccc(/C=C2\N=C(c3ccccc3)OC2=O)cc1 ZINC000002186773 570516622 /nfs/dbraw/zinc/51/66/22/570516622.db2.gz 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/nfs/dbraw/zinc/38/29/51/210382951.db2.gz KLPNPNOIPOOVCG-BYCLXTJYSA-N 0 0 358.444 6.111 50 30 FKEARN CCO[P@@](=O)(C#CC(C)(C)C)[C@H](Nc1ccccc1)c1ccccc1 ZINC000002194179 571283294 /nfs/dbraw/zinc/28/32/94/571283294.db2.gz QKBFVPZBQBAFCQ-CPJSRVTESA-N 0 0 355.418 6.119 50 30 FKEARN CCO[P@](=O)(C#CC(C)(C)C)[C@H](Nc1ccccc1)c1ccccc1 ZINC000002194181 571283348 /nfs/dbraw/zinc/28/33/48/571283348.db2.gz QKBFVPZBQBAFCQ-NBGIEHNGSA-N 0 0 355.418 6.119 50 30 FKEARN CCO[P@@](=O)(C#CC(C)(C)C)[C@@H](Nc1ccccc1)c1ccccc1 ZINC000002194183 571283327 /nfs/dbraw/zinc/28/33/27/571283327.db2.gz QKBFVPZBQBAFCQ-NLFFAJNJSA-N 0 0 355.418 6.119 50 30 FKEARN CCO[P@](=O)(C#CC(C)(C)C)[C@@H](Nc1ccccc1)c1ccccc1 ZINC000002194185 210150159 /nfs/dbraw/zinc/15/01/59/210150159.db2.gz QKBFVPZBQBAFCQ-CJFMBICVSA-N 0 0 355.418 6.119 50 30 FKEARN C=C(C)CSc1cc(C(C)(C)C)nc2c(-c3ccccc3)c(C)nn21 ZINC000002194460 210150374 /nfs/dbraw/zinc/15/03/74/210150374.db2.gz ILQIXLNTKOPEND-UHFFFAOYSA-N 0 0 351.519 5.670 50 30 FKEARN CC(C)CCSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N ZINC000002195478 204028242 /nfs/dbraw/zinc/02/82/42/204028242.db2.gz GFRWYTJECXAAIU-UHFFFAOYSA-N 0 0 358.510 6.425 50 30 FKEARN O=C1c2ccc(OCc3ccc(Cl)cc3)cc2O/C1=C\c1ccco1 ZINC000002198768 571283727 /nfs/dbraw/zinc/28/37/27/571283727.db2.gz HEKMYRQYJORJSS-ODLFYWEKSA-N 0 0 352.773 5.128 50 30 FKEARN C=CCc1c(C)nc2sc(C(=O)Nc3c(C)cccc3C)c(N)c2c1C ZINC000002203239 571284214 /nfs/dbraw/zinc/28/42/14/571284214.db2.gz HWEGCANRGIAPQT-UHFFFAOYSA-N 0 0 365.502 5.093 50 30 FKEARN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(F)cc1 ZINC000002203950 570516855 /nfs/dbraw/zinc/51/68/55/570516855.db2.gz RHHQQRHFRICIDD-UHFFFAOYSA-N 0 0 368.448 5.226 50 30 FKEARN CCCCCCCCCn1c2ccc(C)cc2c2nc3ccccc3nc21 ZINC000002207393 204029301 /nfs/dbraw/zinc/02/93/01/204029301.db2.gz OUESHEFBOIJMFZ-UHFFFAOYSA-N 0 0 359.517 6.797 50 30 FKEARN C=C(C)CSc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCC3 ZINC000002212054 219432409 /nfs/dbraw/zinc/43/24/09/219432409.db2.gz 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/nfs/dbraw/zinc/64/37/40/570643740.db2.gz FBJPUDCIVUSVTN-UHFFFAOYSA-N 0 0 360.548 5.120 50 30 FKEARN C=CCn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1ccco1 ZINC000002233823 519241837 /nfs/dbraw/zinc/24/18/37/519241837.db2.gz IFZPXXAQSWXPIK-UHFFFAOYSA-N 0 0 365.380 5.035 50 30 FKEARN CCCCCCCCc1nnc(NC(=O)Nc2ccc(Cl)cc2)s1 ZINC000002234190 520049798 /nfs/dbraw/zinc/04/97/98/520049798.db2.gz RXYBXXGAKBMKBZ-UHFFFAOYSA-N 0 0 366.918 5.739 50 30 FKEARN C=C1C(Cl)=C(c2ccc(C)cc2)Oc2ccccc2[C@@H]1c1ccc(C)cc1 ZINC000002238759 571293376 /nfs/dbraw/zinc/29/33/76/571293376.db2.gz YLZVZOJWCQJFPD-QHCPKHFHSA-N 0 0 372.895 6.992 50 30 FKEARN C=C1C(Cl)=C(c2ccc(C)cc2)Oc2ccccc2[C@H]1c1ccc(C)cc1 ZINC000002238760 210151688 /nfs/dbraw/zinc/15/16/88/210151688.db2.gz YLZVZOJWCQJFPD-HSZRJFAPSA-N 0 0 372.895 6.992 50 30 FKEARN COc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)cc1 ZINC000002239186 571293370 /nfs/dbraw/zinc/29/33/70/571293370.db2.gz IQXCPELUXWSHGU-QHCPKHFHSA-N 0 0 371.461 5.562 50 30 FKEARN COc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)cc1 ZINC000002239187 210384958 /nfs/dbraw/zinc/38/49/58/210384958.db2.gz IQXCPELUXWSHGU-HSZRJFAPSA-N 0 0 371.461 5.562 50 30 FKEARN Cc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)cc1C ZINC000002239228 570517549 /nfs/dbraw/zinc/51/75/49/570517549.db2.gz PQBYFUDLXOXFJQ-DEOSSOPVSA-N 0 0 369.489 6.170 50 30 FKEARN Cc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)cc1C ZINC000002239229 204030272 /nfs/dbraw/zinc/03/02/72/204030272.db2.gz PQBYFUDLXOXFJQ-XMMPIXPASA-N 0 0 369.489 6.170 50 30 FKEARN C=CCSc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCC3 ZINC000002240379 206742405 /nfs/dbraw/zinc/74/24/05/206742405.db2.gz FXPALNHGXFCKKH-UHFFFAOYSA-N 0 0 355.532 5.205 50 30 FKEARN O=C1ON(c2ccccc2)[C@@H](c2ccccc2)N1c1cccc(Cl)c1 ZINC000002246249 219433718 /nfs/dbraw/zinc/43/37/18/219433718.db2.gz QUPSUYWJGHGWMZ-IBGZPJMESA-N 0 0 350.805 5.417 50 30 FKEARN O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C/c1cccc(F)c1 ZINC000002247337 204030590 /nfs/dbraw/zinc/03/05/90/204030590.db2.gz 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571293684 /nfs/dbraw/zinc/29/36/84/571293684.db2.gz NIJQTHFLABJBOY-RUZDIDTESA-N 0 0 353.465 5.926 50 30 FKEARN O=C1ON(c2ccccc2)[C@@H](c2ccccc2)N1c1ccc(Cl)cc1 ZINC000002253679 210386945 /nfs/dbraw/zinc/38/69/45/210386945.db2.gz NKAYBLHJUYBILQ-IBGZPJMESA-N 0 0 350.805 5.417 50 30 FKEARN CCCc1nc2sc(C(=O)OCC)c(/N=C/OCC)c2c2c1CCCC2 ZINC000002254799 571294130 /nfs/dbraw/zinc/29/41/30/571294130.db2.gz LKRVYBBFZNTWIJ-CIAFOILYSA-N 0 0 374.506 5.001 50 30 FKEARN COc1ccc(/C=N/c2nc3c(s2)CCCCCCCCCC3)cc1 ZINC000002255917 210387462 /nfs/dbraw/zinc/38/74/62/210387462.db2.gz PCYGQAZUSAKMDI-CJLVFECKSA-N 0 0 356.535 6.122 50 30 FKEARN C=C(C)CSc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCC3 ZINC000002256367 219434015 /nfs/dbraw/zinc/43/40/15/219434015.db2.gz VCPKCAIDKPMHCH-UHFFFAOYSA-N 0 0 355.532 5.520 50 30 FKEARN COC(=O)c1c(C)[nH]c(/C=N/c2ccccc2Cl)c1-c1ccccc1 ZINC000002257318 571293774 /nfs/dbraw/zinc/29/37/74/571293774.db2.gz KNIHVOYWUXRMTA-WSDLNYQXSA-N 0 0 352.821 5.181 50 30 FKEARN C#CCSc1nc(-c2ccccc2)cc(-c2ccc(OC)cc2)c1C#N ZINC000002259038 210150693 /nfs/dbraw/zinc/15/06/93/210150693.db2.gz KNCOCMYPYNOCMJ-UHFFFAOYSA-N 0 0 356.450 5.021 50 30 FKEARN N#Cc1c(SCc2ccccc2F)nc2c(c1-c1ccccc1)CCCC2 ZINC000002259107 571293872 /nfs/dbraw/zinc/29/38/72/571293872.db2.gz KNFRUYRAHZEBDS-UHFFFAOYSA-N 0 0 374.484 5.930 50 30 FKEARN N#Cc1c(-c2ccccc2)cc(C2CC2)nc1SCC(=O)c1ccccc1 ZINC000002261996 571294006 /nfs/dbraw/zinc/29/40/06/571294006.db2.gz OYMWSPXABFRVLI-UHFFFAOYSA-N 0 0 370.477 5.473 50 30 FKEARN Cc1nc(SCC(=O)c2ccc(Cl)c(Cl)c2)c(C#N)c(C)c1C ZINC000002262232 219435118 /nfs/dbraw/zinc/43/51/18/219435118.db2.gz SVMJYVYBKYFGOI-UHFFFAOYSA-N 0 0 365.285 5.160 50 30 FKEARN CCCCCCCCCn1c2nc3ccccc3nc2c2cccc(C)c21 ZINC000002263629 204031466 /nfs/dbraw/zinc/03/14/66/204031466.db2.gz GLTFVUOVGLHKKW-UHFFFAOYSA-N 0 0 359.517 6.797 50 30 FKEARN C=CCn1c(SCc2cc(C)ccc2C)nc2sc(C)c(C)c2c1=O ZINC000002264022 571124692 /nfs/dbraw/zinc/12/46/92/571124692.db2.gz WLQMTNHGPKIRJB-UHFFFAOYSA-N 0 0 370.543 5.170 50 30 FKEARN C=CCn1c(SCc2ccc(C(C)(C)C)cc2)nnc1-c1cccs1 ZINC000002264789 519239123 /nfs/dbraw/zinc/23/91/23/519239123.db2.gz GKANCDFLNCEBQD-UHFFFAOYSA-N 0 0 369.559 5.782 50 30 FKEARN Oc1ccc2cc(Br)ccc2c1/C=N/c1ccc(Cl)cn1 ZINC000002266443 210388103 /nfs/dbraw/zinc/38/81/03/210388103.db2.gz AILPJUVVPIFMDB-AWQFTUOYSA-N 0 0 361.626 5.107 50 30 FKEARN Oc1c(/C=N/c2ccc(Cl)cn2)cc(Br)c2ccccc12 ZINC000002266778 571293969 /nfs/dbraw/zinc/29/39/69/571293969.db2.gz TUGOUMQGISEBSN-UFWORHAWSA-N 0 0 361.626 5.107 50 30 FKEARN O=C1c2cc3c(cc2C/C1=C/c1ccccc1)C(=O)/C(=C\c1ccccc1)C3 ZINC000002267513 210388521 /nfs/dbraw/zinc/38/85/21/210388521.db2.gz IAIUSMNVFBIDNU-IINORCHSSA-N 0 0 362.428 5.331 50 30 FKEARN N#CCCSc1nc(-c2cccs2)cc(-c2cccs2)c1C#N ZINC000002267563 526463194 /nfs/dbraw/zinc/46/31/94/526463194.db2.gz BPJJPLFHAFPVOE-UHFFFAOYSA-N 0 0 353.497 5.416 50 30 FKEARN CN1C2=C(C(=O)CC(C)(C)C2)C(c2ccccc2)C2=C1CC(C)(C)CC2=O ZINC000002267947 210387988 /nfs/dbraw/zinc/38/79/88/210387988.db2.gz 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Oc1cc2ccccc2cc1/C=N/N=C/c1c2ccccc2cc2ccccc21 ZINC000002272362 210388596 /nfs/dbraw/zinc/38/85/96/210388596.db2.gz VSRGBUCEZIIUEK-ODBZBXGJSA-N 0 0 374.443 6.305 50 30 FKEARN C=CCSc1nc2sc3c(c2c(=O)n1CC=C)CC[C@H](C(C)(C)C)C3 ZINC000002272623 571294533 /nfs/dbraw/zinc/29/45/33/571294533.db2.gz CQTMIPWUPCLWOH-ZDUSSCGKSA-N 0 0 374.575 5.073 50 30 FKEARN C=CCSc1nc2sc3c(c2c(=O)n1CC=C)CC[C@@H](C(C)(C)C)C3 ZINC000002272624 210149931 /nfs/dbraw/zinc/14/99/31/210149931.db2.gz CQTMIPWUPCLWOH-CYBMUJFWSA-N 0 0 374.575 5.073 50 30 FKEARN CCCCCCCCOc1ccc(C(=O)Oc2ccc(C(C)=O)cc2)cc1 ZINC000002272685 520043204 /nfs/dbraw/zinc/04/32/04/520043204.db2.gz KQABLQXIBNZVLX-UHFFFAOYSA-N 0 0 368.473 5.848 50 30 FKEARN N#Cc1c(SCc2ccccc2)nc2c(c1-c1cccs1)CCCC2 ZINC000002273180 204031919 /nfs/dbraw/zinc/03/19/19/204031919.db2.gz CKRPTIHHOUSNTN-UHFFFAOYSA-N 0 0 362.523 5.853 50 30 FKEARN Cc1ccc(N2C(=O)C[C@@H](c3ccccc3)C3=C2CC(C)(C)CC3=O)cc1 ZINC000002273657 132253431 /nfs/dbraw/zinc/25/34/31/132253431.db2.gz 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/nfs/dbraw/zinc/04/09/71/520040971.db2.gz AOSRFWXDMOWKKK-UHFFFAOYSA-N 0 0 358.481 6.791 50 30 FKEARN CCOc1nc(-c2ccc(OC)cc2)cc(-c2ccccc2Cl)c1C#N ZINC000002546805 204043671 /nfs/dbraw/zinc/04/36/71/204043671.db2.gz NDFBXDFELBMNJT-UHFFFAOYSA-N 0 0 364.832 5.348 50 30 FKEARN CCOc1nc(-c2cccc(OC)c2)cc(-c2cccc(Cl)c2)c1C#N ZINC000002546807 571338313 /nfs/dbraw/zinc/33/83/13/571338313.db2.gz RWUMUIVJFZDFNI-UHFFFAOYSA-N 0 0 364.832 5.348 50 30 FKEARN CCOc1nc(-c2ccc3ccccc3c2)cc(-c2ccc(C)cc2)c1C#N ZINC000002546809 571338314 /nfs/dbraw/zinc/33/83/14/571338314.db2.gz BUXWWRZZSRJQMQ-UHFFFAOYSA-N 0 0 364.448 6.148 50 30 FKEARN CCOc1nc(-c2ccccc2Cl)cc(-c2ccccc2OC)c1C#N ZINC000002546811 571338268 /nfs/dbraw/zinc/33/82/68/571338268.db2.gz KVPZBJOZQKWPBS-UHFFFAOYSA-N 0 0 364.832 5.348 50 30 FKEARN COc1nc(-c2ccc3ccccc3c2)cc(-c2ccc(Cl)cc2)c1C#N ZINC000002546815 571338312 /nfs/dbraw/zinc/33/83/12/571338312.db2.gz KSSFCEHHBUXMJJ-UHFFFAOYSA-N 0 0 370.839 6.102 50 30 FKEARN COc1nc(-c2ccc3ccccc3c2)cc(-c2cccc(Cl)c2)c1C#N ZINC000002546817 204044145 /nfs/dbraw/zinc/04/41/45/204044145.db2.gz ZZZVJZPMDVLJEK-UHFFFAOYSA-N 0 0 370.839 6.102 50 30 FKEARN O=C1c2ccccc2C(Nc2cccc(F)c2)=C1c1cccc2ccccc21 ZINC000002550131 570524354 /nfs/dbraw/zinc/52/43/54/570524354.db2.gz OOHQPSKWNJBJGN-UHFFFAOYSA-N 0 0 365.407 6.156 50 30 FKEARN N#C[C@H](c1ccc(C(=O)c2ccccc2)cc1)c1ccc(Cl)cc1Cl ZINC000002559839 570524932 /nfs/dbraw/zinc/52/49/32/570524932.db2.gz WARHZDMYHQIOSZ-LJQANCHMSA-N 0 0 366.247 5.880 50 30 FKEARN CCCCCCCCCCCC(=O)c1ccc2cc(N(C)C)ccc2c1 ZINC000002565843 519986457 /nfs/dbraw/zinc/98/64/57/519986457.db2.gz JHDGGIDITFLRJY-UHFFFAOYSA-N 0 0 353.550 7.009 50 30 FKEARN CCCCCCCCc1cc(Br)sc1Br ZINC000002567526 204044910 /nfs/dbraw/zinc/04/49/10/204044910.db2.gz PJGBSUPPENVFAD-UHFFFAOYSA-N 0 0 354.151 6.176 50 30 FKEARN CCCCCCCC(=O)Oc1c[nH]c2cc(Cl)c(Br)cc21 ZINC000002569711 519966147 /nfs/dbraw/zinc/96/61/47/519966147.db2.gz HODNRFUPDHGKHG-UHFFFAOYSA-N 0 0 372.690 5.850 50 30 in-vitro FKEARN N#C[C@H](c1ccccc1)[C@H](CC(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000002570953 571339109 /nfs/dbraw/zinc/33/91/09/571339109.db2.gz VRIGHLDDQQOJIT-FGZHOGPDSA-N 0 0 359.856 6.004 50 30 FKEARN N#Cc1cc([N+](=O)[O-])ccc1/C=C/c1ccc(OCc2ccc(F)cc2)cc1 ZINC000002571040 571339052 /nfs/dbraw/zinc/33/90/52/571339052.db2.gz WHUHUANHEQPIGS-LZCJLJQNSA-N 0 0 374.371 5.355 50 30 FKEARN CCc1ccc(C(=O)/C=C/S/C=C/C(=O)c2ccc(CC)cc2)cc1 ZINC000002573022 523877369 /nfs/dbraw/zinc/87/73/69/523877369.db2.gz GVHWDBGGJLPHHI-WXUKJITCSA-N 0 0 350.483 5.638 50 30 FKEARN C=CCOc1ccc(C(=O)Oc2ccc(OCCCCCC)cc2)cc1 ZINC000002573036 519028506 /nfs/dbraw/zinc/02/85/06/519028506.db2.gz CQAGCDLZFGJYEI-UHFFFAOYSA-N 0 0 354.446 5.430 50 30 FKEARN CCCCCCCC(=O)Oc1c[nH]c2ccc(Br)c(Cl)c21 ZINC000002575024 519965295 /nfs/dbraw/zinc/96/52/95/519965295.db2.gz QTWMXGHFXBQNEJ-UHFFFAOYSA-N 0 0 372.690 5.850 50 30 in-vitro FKEARN O=C(/C=C/S/C=C/C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000002581938 527598397 /nfs/dbraw/zinc/59/83/97/527598397.db2.gz XLUQVGDEEDPSRY-WGDLNXRISA-N 0 0 363.265 5.820 50 30 FKEARN CCCCCCCCOC(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000002582002 520039363 /nfs/dbraw/zinc/03/93/63/520039363.db2.gz VXWISAHTAQYMSH-UHFFFAOYSA-N 0 0 367.700 5.929 50 30 FKEARN CC(Nc1cc(C(F)(F)F)ccc1Cl)=C1C(=O)c2ccccc2C1=O ZINC000002582199 570525608 /nfs/dbraw/zinc/52/56/08/570525608.db2.gz VDVZTDBHHUWQBP-UHFFFAOYSA-N 0 0 365.738 5.124 50 30 FKEARN CCCCCCCCC(=O)Oc1c[nH]c2ccc(Br)cc12 ZINC000002583758 263325866 /nfs/dbraw/zinc/32/58/66/263325866.db2.gz KWRFASVVDCCIEJ-UHFFFAOYSA-N 0 0 352.272 5.586 50 30 in-vitro FKEARN COc1ccc(/N=C/c2cn(-c3ccccc3)nc2-c2cccs2)cc1 ZINC000002584064 570525629 /nfs/dbraw/zinc/52/56/29/570525629.db2.gz WTPLTAMWZCRSIQ-HYARGMPZSA-N 0 0 359.454 5.360 50 30 FKEARN CCOc1nc(-c2ccc(Cl)cc2)cc(-c2ccc(OC)cc2)c1C#N ZINC000002585127 571339148 /nfs/dbraw/zinc/33/91/48/571339148.db2.gz PKEJFXUJYDETEU-UHFFFAOYSA-N 0 0 364.832 5.348 50 30 FKEARN CCCCCCCc1ccc(/N=C/c2ccc(OCCCC)cc2)cc1 ZINC000002597034 570659607 /nfs/dbraw/zinc/65/96/07/570659607.db2.gz IHFLHVDMHFOGCO-LKUDQCMESA-N 0 0 351.534 7.129 50 30 FKEARN Fc1ccc(NC(=S)N/N=C/c2c3ccccc3cc3ccccc32)cc1 ZINC000002597711 204044609 /nfs/dbraw/zinc/04/46/09/204044609.db2.gz WXMHOZLSOVQAIM-ZVHZXABRSA-N 0 0 373.456 5.453 50 30 FKEARN N#Cc1ccc(NC(=O)c2cc(-c3cccs3)nc3ccccc32)cc1 ZINC000002623160 571339396 /nfs/dbraw/zinc/33/93/96/571339396.db2.gz FVJLLZNLZPMKOH-UHFFFAOYSA-N 0 0 355.422 5.087 50 30 FKEARN N#CCCN(C(=O)CSc1cc(Cl)ccc1Cl)c1ccccc1 ZINC000002623896 263326071 /nfs/dbraw/zinc/32/60/71/263326071.db2.gz SBTHYEIKXLXKTM-UHFFFAOYSA-N 0 0 365.285 5.032 50 30 FKEARN Cc1ccc(F)cc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000002634812 206923611 /nfs/dbraw/zinc/92/36/11/206923611.db2.gz JLIJSFYWSSDLLH-UHFFFAOYSA-N 0 0 365.248 5.424 50 30 FKEARN Cc1cc(C#N)c(C)n1-c1ccc(Cl)cc1C(=O)c1ccccc1Cl ZINC000002638338 571339808 /nfs/dbraw/zinc/33/98/08/571339808.db2.gz OIBHONGRSRGDBC-UHFFFAOYSA-N 0 0 369.251 5.504 50 30 FKEARN C[C@H](Oc1ccc(-c2ccc(C#N)cc2)cc1)C(=O)c1cccc(Cl)c1 ZINC000002642976 571339900 /nfs/dbraw/zinc/33/99/00/571339900.db2.gz WGYZVHIRHYORMH-HNNXBMFYSA-N 0 0 361.828 5.529 50 30 FKEARN C[C@@H](Oc1ccc(-c2ccc(C#N)cc2)cc1)C(=O)c1cccc(Cl)c1 ZINC000002642977 571339932 /nfs/dbraw/zinc/33/99/32/571339932.db2.gz WGYZVHIRHYORMH-OAHLLOKOSA-N 0 0 361.828 5.529 50 30 FKEARN N#Cc1c(NC(=O)CCCSc2ccccc2)sc2c1CCCC2 ZINC000002653934 571340077 /nfs/dbraw/zinc/34/00/77/571340077.db2.gz OFFXVTGBVFKHAM-UHFFFAOYSA-N 0 0 356.516 5.010 50 30 FKEARN C=C(Cl)COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000002656142 571340224 /nfs/dbraw/zinc/34/02/24/571340224.db2.gz KRMWKZXSPVJVRU-UHFFFAOYSA-N 0 0 358.224 5.465 50 30 FKEARN c1csc(-c2nc(NC3=NCCCCC3)sc2-c2cccs2)c1 ZINC000002659635 263326586 /nfs/dbraw/zinc/32/65/86/263326586.db2.gz LMEPGIIGVMGGGE-UHFFFAOYSA-N 0 0 359.545 5.794 50 30 FKEARN C=C(C)CSc1nnc(-c2ccc(OC)c(OC)c2)n1C1CCCCC1 ZINC000002661225 570968164 /nfs/dbraw/zinc/96/81/64/570968164.db2.gz ADRHEKRTUJELGG-UHFFFAOYSA-N 0 0 373.522 5.136 50 30 FKEARN CCCCCCCCCCCn1c2ccccc2c2nc3ccccc3nc21 ZINC000002667993 570663730 /nfs/dbraw/zinc/66/37/30/570663730.db2.gz YUZSFNZCVPPEDO-UHFFFAOYSA-N 0 0 373.544 7.269 50 30 FKEARN CCCCCCCCCCn1c2ccc(C)cc2c2nc3ccccc3nc21 ZINC000002668014 570663791 /nfs/dbraw/zinc/66/37/91/570663791.db2.gz CQWHWIJFAHJIHS-UHFFFAOYSA-N 0 0 373.544 7.187 50 30 FKEARN N#Cc1c(NC(=O)C(c2ccccc2)c2ccccc2)sc2c1CCCC2 ZINC000002669118 204051005 /nfs/dbraw/zinc/05/10/05/204051005.db2.gz JCDDUZXKXAPLBE-UHFFFAOYSA-N 0 0 372.493 5.269 50 30 FKEARN O=C1c2ccccc2C(=O)C1=C1C=C(c2ccccc2)OC2=C1CCCC2 ZINC000002692976 206155549 /nfs/dbraw/zinc/15/55/49/206155549.db2.gz WJVBJQUMMDJUON-UHFFFAOYSA-N 0 0 354.405 5.262 50 30 FKEARN Cc1ccc(/C=C/C(=O)Oc2ccc(/C=N/c3ccc(F)cc3)cc2)cc1 ZINC000002707077 525953127 /nfs/dbraw/zinc/95/31/27/525953127.db2.gz OPTDGNQIEYFKIC-NZTOXLHLSA-N 0 0 359.400 5.504 50 30 FKEARN N#Cc1c(NC(=O)c2ccc(Oc3ccccc3)cc2)sc2c1CCCC2 ZINC000002709754 571340443 /nfs/dbraw/zinc/34/04/43/571340443.db2.gz WCRMSDWERLRMDG-UHFFFAOYSA-N 0 0 374.465 5.543 50 30 FKEARN C=CCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 ZINC000002714245 570667544 /nfs/dbraw/zinc/66/75/44/570667544.db2.gz WAKQJSMYCQAPAT-UHFFFAOYSA-N 0 0 374.875 5.647 50 30 FKEARN C=CCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000002715005 570667870 /nfs/dbraw/zinc/66/78/70/570667870.db2.gz YIISVFKRQHSYOT-UHFFFAOYSA-N 0 0 360.848 5.339 50 30 FKEARN C=CCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(OCC)cc1 ZINC000002715293 571340479 /nfs/dbraw/zinc/34/04/79/571340479.db2.gz NHVMZNFLFDGAEW-UHFFFAOYSA-N 0 0 370.456 5.084 50 30 FKEARN Brc1ccc(/C=N/N=C(c2ccccc2)c2ccccc2)s1 ZINC000002729479 204053872 /nfs/dbraw/zinc/05/38/72/204053872.db2.gz DQVKVNLZTNVPEJ-DEDYPNTBSA-N 0 0 369.287 5.382 50 30 FKEARN CCc1c(C)sc(/N=C/c2ccccc2)c1C(=O)NC1CCCCC1 ZINC000002731715 204052892 /nfs/dbraw/zinc/05/28/92/204052892.db2.gz OEGDGGLKVNONCM-HYARGMPZSA-N 0 0 354.519 5.432 50 30 FKEARN N#Cc1c(NC(=O)/C=C/c2ccc(Cl)cc2)sc2c1CCCCC2 ZINC000002734073 204053567 /nfs/dbraw/zinc/05/35/67/204053567.db2.gz RAYOMEKOFOZECH-DHZHZOJOSA-N 0 0 356.878 5.194 50 30 FKEARN CCCCCCCCCCNC(=O)C1c2ccccc2Oc2ccccc21 ZINC000002734262 520019952 /nfs/dbraw/zinc/01/99/52/520019952.db2.gz DNTMCKDXKPROEI-UHFFFAOYSA-N 0 0 365.517 6.181 50 30 FKEARN C=CCN1C(=S)N=NC1c1cc(-c2ccc(CC)cc2)nc2ccccc21 ZINC000002735548 219459798 /nfs/dbraw/zinc/45/97/98/219459798.db2.gz JRFMWADINXEXSS-UHFFFAOYSA-N 0 0 372.497 5.197 50 30 FKEARN CCCCCCCCCC(=O)Nc1nc(-c2ccc(C)cc2C)cs1 ZINC000002736419 570668400 /nfs/dbraw/zinc/66/84/00/570668400.db2.gz YRWUZPKQJLHKGC-UHFFFAOYSA-N 0 0 358.551 6.506 50 30 FKEARN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3ccc(C)o3)sc2C1 ZINC000002736768 571340651 /nfs/dbraw/zinc/34/06/51/571340651.db2.gz CAXHNZPTAZHBHR-ZDUSSCGKSA-N 0 0 356.491 5.315 50 30 FKEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3ccc(C)o3)sc2C1 ZINC000002736769 204053181 /nfs/dbraw/zinc/05/31/81/204053181.db2.gz CAXHNZPTAZHBHR-CYBMUJFWSA-N 0 0 356.491 5.315 50 30 FKEARN CC(C)(C)c1ccc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)cc1 ZINC000002736826 206929943 /nfs/dbraw/zinc/92/99/43/206929943.db2.gz GJQYHWAGWSAIHH-UHFFFAOYSA-N 0 0 366.530 5.829 50 30 FKEARN CCCCCCCCNC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000002737303 570668289 /nfs/dbraw/zinc/66/82/89/570668289.db2.gz DWVPZHZGAJRJNL-UHFFFAOYSA-N 0 0 360.501 5.992 50 30 FKEARN CCc1c(C)sc(NC(=O)/C=C/c2c(Cl)cccc2Cl)c1C#N ZINC000002737375 204052980 /nfs/dbraw/zinc/05/29/80/204052980.db2.gz BASDOHGRWOVHBT-BQYQJAHWSA-N 0 0 365.285 5.449 50 30 FKEARN N#Cc1c(NC(=O)Cc2ccc(Cl)cc2)sc2c1CCCCCC2 ZINC000002737637 204054356 /nfs/dbraw/zinc/05/43/56/204054356.db2.gz XLEVKFBSPJBJSA-UHFFFAOYSA-N 0 0 358.894 5.113 50 30 FKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CCc3ccccc3)sc2C1 ZINC000002738295 210417502 /nfs/dbraw/zinc/41/75/02/210417502.db2.gz QIQXEQKOTPYCGJ-INIZCTEOSA-N 0 0 366.530 5.342 50 30 FKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CCc3ccccc3)sc2C1 ZINC000002738296 204054336 /nfs/dbraw/zinc/05/43/36/204054336.db2.gz 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CCCCSc1sc(C(=O)OC)c(-c2ccc(Cl)cc2)c1C#N ZINC000003045707 571343951 /nfs/dbraw/zinc/34/39/51/571343951.db2.gz PDJXIQRSUZKFDX-UHFFFAOYSA-N 0 0 365.907 5.619 50 30 FKEARN CCCSc1sc(C(=O)OC)c(-c2ccc(Cl)cc2)c1C#N ZINC000003045709 204075669 /nfs/dbraw/zinc/07/56/69/204075669.db2.gz JNPNCWSFSCZQNG-UHFFFAOYSA-N 0 0 351.880 5.229 50 30 FKEARN CCCCCCCNC(=O)c1cc(-c2ccc(C)c(C)c2)nc2ccccc21 ZINC000003046033 520055475 /nfs/dbraw/zinc/05/54/75/520055475.db2.gz XYGQBECVVNPXDX-UHFFFAOYSA-N 0 0 374.528 6.219 50 30 FKEARN CSc1nc(CSc2ccc(C)cc2)nc(-c2ccccc2)c1C#N ZINC000003046170 204075955 /nfs/dbraw/zinc/07/59/55/204075955.db2.gz VHRMFIIHGUIUCF-UHFFFAOYSA-N 0 0 363.511 5.338 50 30 FKEARN C=CCNC(=O)c1sccc1SCc1c(Cl)cccc1Cl ZINC000003047289 571344031 /nfs/dbraw/zinc/34/40/31/571344031.db2.gz XTPODOZUFPSORF-UHFFFAOYSA-N 0 0 358.315 5.263 50 30 FKEARN Cc1cc(C)c(/N=C/c2ccccc2O)c(C)c1/N=C/c1ccccc1O ZINC000003049826 570681582 /nfs/dbraw/zinc/68/15/82/570681582.db2.gz ZGHDEPBPPHFQGG-GUJRAXHGSA-N 0 0 358.441 5.524 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OKSCEFUCRIJEAF-NRFANRHFSA-N 0 0 357.478 5.915 50 30 FKEARN Cc1ccc([C@H]2CC(=O)C(c3ccccc3)=C(Nc3ccccc3)S2)cc1 ZINC000003052283 570550591 /nfs/dbraw/zinc/55/05/91/570550591.db2.gz LXKPGGNZOJHLPL-JOCHJYFZSA-N 0 0 371.505 6.223 50 30 FKEARN Cc1ccc([C@@H]2CC(=O)C(c3ccccc3)=C(Nc3ccccc3)S2)cc1 ZINC000003052285 570550604 /nfs/dbraw/zinc/55/06/04/570550604.db2.gz LXKPGGNZOJHLPL-QFIPXVFZSA-N 0 0 371.505 6.223 50 30 FKEARN Cc1c(/C=N/c2ccc(C)c(C)c2)c2ccccc2n1Cc1ccccc1 ZINC000003059474 206955324 /nfs/dbraw/zinc/95/53/24/206955324.db2.gz RCZQXCUHDANYOT-WGOQTCKBSA-N 0 0 352.481 6.365 50 30 FKEARN COc1cccc(/C=N/c2cccc(-c3nc4cc(C)ccc4o3)c2)c1O ZINC000003059493 570550527 /nfs/dbraw/zinc/55/05/27/570550527.db2.gz LVQKDEWAQNFILA-YDZHTSKRSA-N 0 0 358.397 5.268 50 30 FKEARN Cc1ccc(O)c(/C=N/c2ccc(-c3nc4cc(Cl)ccc4o3)cc2)c1 ZINC000003059615 210449659 /nfs/dbraw/zinc/44/96/59/210449659.db2.gz XSHMGGSZMJACGV-FSJBWODESA-N 0 0 362.816 5.913 50 30 FKEARN Cc1ccc2nc(-c3ccc(/N=C/c4cc(Cl)ccc4O)cc3)oc2c1 ZINC000003059651 571293453 /nfs/dbraw/zinc/29/34/53/571293453.db2.gz KRHIOJNYJYOJNI-FSJBWODESA-N 0 0 362.816 5.913 50 30 FKEARN O=[N+]([O-])c1ccccc1/C=N/c1cccc(/N=C/c2ccccc2[N+](=O)[O-])c1 ZINC000003063076 527397637 /nfs/dbraw/zinc/39/76/37/527397637.db2.gz KDKIBZPWFQWBCI-JFMUQQRKSA-N 0 0 374.356 5.004 50 30 FKEARN C=C1N(CCCCN2c3ccccc3C(C)(C)C2=C)c2ccccc2C1(C)C ZINC000003066066 209398656 /nfs/dbraw/zinc/39/86/56/209398656.db2.gz HXDHFOLEIOIDCY-UHFFFAOYSA-N 0 0 372.556 6.390 50 30 FKEARN CC1(C)CC(=O)C(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)C1 ZINC000003066877 570682790 /nfs/dbraw/zinc/68/27/90/570682790.db2.gz FDKDRQXJPYHRBT-UHFFFAOYSA-N 0 0 363.240 5.595 50 30 FKEARN O=C1c2ccccc2S/C1=C\c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000003068572 204077541 /nfs/dbraw/zinc/07/75/41/204077541.db2.gz KDLKCJLCHKBCNE-YVLHZVERSA-N 0 0 373.260 6.583 50 30 FKEARN N#Cc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)cc1 ZINC000003069195 571344504 /nfs/dbraw/zinc/34/45/04/571344504.db2.gz AHQFUXYHRQKUIO-UHFFFAOYSA-N 0 0 355.422 5.087 50 30 FKEARN Cc1ccc2nsnc2c1/N=C/c1c2ccccc2cc2ccccc21 ZINC000003072519 206956065 /nfs/dbraw/zinc/95/60/65/206956065.db2.gz GNFBCYVGVRKWRY-YDZHTSKRSA-N 0 0 353.450 6.057 50 30 FKEARN C=CCSc1nc2ccc(/N=C/c3cccc([N+](=O)[O-])c3)cc2s1 ZINC000003073178 570697659 /nfs/dbraw/zinc/69/76/59/570697659.db2.gz HGGXFDZYSGFMDZ-WOJGMQOQSA-N 0 0 355.444 5.233 50 30 FKEARN C=CCSc1nc2ccc(/N=C/c3cc(Cl)ccc3O)cc2s1 ZINC000003073180 570697612 /nfs/dbraw/zinc/69/76/12/570697612.db2.gz IMMOJDCWTWGHLA-VXLYETTFSA-N 0 0 360.891 5.684 50 30 FKEARN CC(C)N(OC(=O)Cc1cc(Cl)c(Cl)cc1Cl)c1ccccc1 ZINC000003073357 571344564 /nfs/dbraw/zinc/34/45/64/571344564.db2.gz JPPVBXOVEYTTOB-UHFFFAOYSA-N 0 0 372.679 5.563 50 30 FKEARN COc1nc(-c2ccc(Br)cc2)cc(-c2ccccc2)c1C#N ZINC000003073474 571344596 /nfs/dbraw/zinc/34/45/96/571344596.db2.gz CORSFRFILZJOJW-UHFFFAOYSA-N 0 0 365.230 5.058 50 30 FKEARN CSc1nc2ccc(/N=C/c3ccc(Cl)cc3Cl)cc2s1 ZINC000003080233 204078191 /nfs/dbraw/zinc/07/81/91/204078191.db2.gz JYVOTWNJBFTPLZ-QGMBQPNBSA-N 0 0 353.299 6.076 50 30 FKEARN Cc1ccc(/N=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)cc1C ZINC000003081475 525968305 /nfs/dbraw/zinc/96/83/05/525968305.db2.gz WHOKABAMOHHJCH-ZVHZXABRSA-N 0 0 363.844 5.927 50 30 FKEARN COc1ccc(/N=C/c2ccccc2OCc2ccc(Cl)cc2)cc1 ZINC000003081504 523466840 /nfs/dbraw/zinc/46/68/40/523466840.db2.gz LMNUSYOZOSQUPW-OEAKJJBVSA-N 0 0 351.833 5.678 50 30 FKEARN CCCCCCCOc1ccc(C(=O)Oc2ccc(C(C)=O)cc2)cc1 ZINC000003082471 520063661 /nfs/dbraw/zinc/06/36/61/520063661.db2.gz RQXCDZBYCAVLFK-UHFFFAOYSA-N 0 0 354.446 5.458 50 30 FKEARN Cc1ccc(Cl)cc1NC=CC(=O)c1ccc(Br)cc1 ZINC000003084209 204077960 /nfs/dbraw/zinc/07/79/60/204077960.db2.gz SKGOCUHTARZUEA-CMDGGOBGSA-N 0 0 350.643 5.219 50 30 FKEARN Cc1ccc2oc(-c3cccc(/N=C/c4ccccc4[N+](=O)[O-])c3)nc2c1 ZINC000003084383 570551481 /nfs/dbraw/zinc/55/14/81/570551481.db2.gz FDMBIBPXYCZBAM-LPYMAVHISA-N 0 0 357.369 5.462 50 30 FKEARN Cc1ccc2sc(-c3ccc(/N=C/c4ccc(Cl)cc4)cc3)nc2c1 ZINC000003084811 571344604 /nfs/dbraw/zinc/34/46/04/571344604.db2.gz RWTGCLDPQMFQIM-YDZHTSKRSA-N 0 0 362.885 6.676 50 30 FKEARN [O-]c1cc(/N=C/c2cccc(F)c2O)ccc1-c1nc2ccccc2s1 ZINC000003087067 571344586 /nfs/dbraw/zinc/34/45/86/571344586.db2.gz ACQWFCNHAFZEJX-SSDVNMTOSA-N 0 0 364.401 5.264 50 30 FKEARN CCCCCCCCCCn1c(C)c(C(=O)OCC)c2cc(O)ccc21 ZINC000003087220 210448861 /nfs/dbraw/zinc/44/88/61/210448861.db2.gz OUOYYPNXOHMEAL-UHFFFAOYSA-N 0 0 359.510 5.973 50 30 biogenic,in-vitro FKEARN Cc1ccc2sc(-c3ccc(/N=C/c4cccc([N+](=O)[O-])c4)cc3)nc2c1 ZINC000003087838 571053831 /nfs/dbraw/zinc/05/38/31/571053831.db2.gz IDQUTWVAOUUNJV-LPYMAVHISA-N 0 0 373.437 5.931 50 30 FKEARN CCCCCCCC(=O)Nc1ccc(C(=O)Nc2cc(C)ccc2C)cc1 ZINC000003088120 204078502 /nfs/dbraw/zinc/07/85/02/204078502.db2.gz FPLWAMRGWMQYAI-UHFFFAOYSA-N 0 0 366.505 5.855 50 30 FKEARN CCCCCCCC(=O)Nc1ccc(C(=O)Nc2ccc(C)cc2C)cc1 ZINC000003088125 519965886 /nfs/dbraw/zinc/96/58/86/519965886.db2.gz JYQXMOCBKSYSIR-UHFFFAOYSA-N 0 0 366.505 5.855 50 30 FKEARN CC(C)(C)c1cc(/C=N/c2ccc3ccccc3c2)cc(C(C)(C)C)c1O ZINC000003090074 219486221 /nfs/dbraw/zinc/48/62/21/219486221.db2.gz STGXTXDMFKBZSP-WGOQTCKBSA-N 0 0 359.513 6.891 50 30 FKEARN CCCCCCCCCCCC(=O)Nc1ccc(Br)cn1 ZINC000003090452 519984013 /nfs/dbraw/zinc/98/40/13/519984013.db2.gz MFEDPECCWKPCBJ-UHFFFAOYSA-N 0 0 355.320 5.704 50 30 FKEARN COc1ccc(Br)cc1/C=N/c1ccc(-c2ccccc2)cc1 ZINC000003090458 571053711 /nfs/dbraw/zinc/05/37/11/571053711.db2.gz HHTMKVVJEPNXTQ-HYARGMPZSA-N 0 0 366.258 5.875 50 30 FKEARN C(=N/c1ccccc1)\c1ccccc1-c1ccccc1/C=N/c1ccccc1 ZINC000003091654 571132464 /nfs/dbraw/zinc/13/24/64/571132464.db2.gz QEJKSCWDVLSGAQ-MKYUKRCKSA-N 0 0 360.460 6.855 50 30 FKEARN CCCCCCCCOc1ccc(NC(=S)Nc2ccccc2C)cc1 ZINC000003092173 570551434 /nfs/dbraw/zinc/55/14/34/570551434.db2.gz FYRGWWVXIUGMPE-UHFFFAOYSA-N 0 0 370.562 6.543 50 30 FKEARN CCCCCCCOC(=O)c1ccc(NC(=S)Nc2ccccc2)cc1 ZINC000003092205 520062461 /nfs/dbraw/zinc/06/24/61/520062461.db2.gz ZJTCAADPMQPSTD-UHFFFAOYSA-N 0 0 370.518 5.623 50 30 FKEARN CCCCCCCC(=O)CCCC(=O)Nc1ccc(Br)cc1 ZINC000003095566 519960736 /nfs/dbraw/zinc/96/07/36/519960736.db2.gz GUAZLEOITZUVAD-UHFFFAOYSA-N 0 0 368.315 5.488 50 30 FKEARN COc1cccc(/C=N/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c1O ZINC000003099882 204077736 /nfs/dbraw/zinc/07/77/36/204077736.db2.gz LDDVWSFLGVJYJN-YDZHTSKRSA-N 0 0 355.478 5.452 50 30 FKEARN CC(C)(C)c1ccc(-c2nc3ccc(/N=C/c4ccccc4O)cc3o2)cc1 ZINC000003102930 570551410 /nfs/dbraw/zinc/55/14/10/570551410.db2.gz VPMIBOWURVJXMK-MFKUBSTISA-N 0 0 370.452 6.249 50 30 FKEARN Cc1ccc(Sc2ccc(NC(=O)c3ccc(F)cc3)cc2C#N)cc1 ZINC000003104504 210449402 /nfs/dbraw/zinc/44/94/02/210449402.db2.gz PXMCLQNRPDARBK-UHFFFAOYSA-N 0 0 362.429 5.409 50 30 FKEARN Cc1ccc(Sc2ccc(NC(=O)c3ccccc3C)cc2C#N)cc1 ZINC000003104505 204078384 /nfs/dbraw/zinc/07/83/84/204078384.db2.gz WCOIFYQSYFMJRO-UHFFFAOYSA-N 0 0 358.466 5.579 50 30 FKEARN Cc1ccccc1Sc1ccc(NC(=O)c2ccc(F)cc2)cc1C#N ZINC000003104522 206956942 /nfs/dbraw/zinc/95/69/42/206956942.db2.gz ONXSXQBZUHQXJL-UHFFFAOYSA-N 0 0 362.429 5.409 50 30 FKEARN Cc1ccc(Sc2ccc(NC(=O)c3cccc(C)c3)cc2C#N)cc1 ZINC000003104525 571344799 /nfs/dbraw/zinc/34/47/99/571344799.db2.gz RCUQCYLFKWTJQT-UHFFFAOYSA-N 0 0 358.466 5.579 50 30 FKEARN CCOC(=O)c1cc(C#N)c(Oc2cc(C)cc(C)c2)nc1-c1ccccc1 ZINC000003104586 204078768 /nfs/dbraw/zinc/07/87/68/204078768.db2.gz LBCZJJINTKNPTH-UHFFFAOYSA-N 0 0 372.424 5.206 50 30 FKEARN C=CCNc1cc(CSc2ccc(Cl)cc2)nc(-c2ccccc2)n1 ZINC000003104757 518961166 /nfs/dbraw/zinc/96/11/66/518961166.db2.gz DEBHPCFNFIWMDG-UHFFFAOYSA-N 0 0 367.905 5.687 50 30 FKEARN Cc1ccc(Sc2ncccc2/C=N/OCc2cccc(F)c2)cc1 ZINC000003105102 525671878 /nfs/dbraw/zinc/67/18/78/525671878.db2.gz QUTRKPLAMBXYAM-YDZHTSKRSA-N 0 0 352.434 5.231 50 30 FKEARN Fc1ccc(CO/N=C/c2cccnc2Sc2ccc(Cl)cc2)cc1 ZINC000003105157 526342275 /nfs/dbraw/zinc/34/22/75/526342275.db2.gz QNXFGCKZROELAT-FSJBWODESA-N 0 0 372.852 5.576 50 30 FKEARN Fc1cccc(CO/N=C/c2cccnc2Sc2ccc(Cl)cc2)c1 ZINC000003105170 526388760 /nfs/dbraw/zinc/38/87/60/526388760.db2.gz DXYYMMKFFBNDRA-FSJBWODESA-N 0 0 372.852 5.576 50 30 FKEARN Cc1ccc(CO/N=C/c2cccnc2Sc2ccc(Cl)cc2)cc1 ZINC000003105174 524627098 /nfs/dbraw/zinc/62/70/98/524627098.db2.gz JVWIMINFCHPTKK-YDZHTSKRSA-N 0 0 368.889 5.745 50 30 FKEARN Cc1ccccc1/N=C1\SCCN1C(=S)Nc1cccc(Cl)c1 ZINC000003106295 570551906 /nfs/dbraw/zinc/55/19/06/570551906.db2.gz QPYBRXPFBBURFX-JZJYNLBNSA-N 0 0 361.923 5.082 50 30 FKEARN C(=N/c1ccc2nc(SCc3ccccc3)sc2c1)\c1ccccc1 ZINC000003106415 518378950 /nfs/dbraw/zinc/37/89/50/518378950.db2.gz NEHZRQRVKPCFDG-HYARGMPZSA-N 0 0 360.507 6.339 50 30 FKEARN CC(C)(C)C1=CC(=NOC(=O)/C=C/c2ccccc2)C=C(C(C)(C)C)C1=O ZINC000003106641 570551895 /nfs/dbraw/zinc/55/18/95/570551895.db2.gz HMVJJKJMODXOIB-OUKQBFOZSA-N 0 0 365.473 5.127 50 30 FKEARN CCCCCCCc1ccc(-c2nnc(-c3ccc(CC)cc3)s2)cc1 ZINC000003108086 520069573 /nfs/dbraw/zinc/06/95/73/520069573.db2.gz CCKYIGCFSZTFJV-UHFFFAOYSA-N 0 0 364.558 6.947 50 30 FKEARN N#Cc1c(NC(=O)c2cccc(Oc3ccccc3)c2)sc2c1CCC2 ZINC000003108314 571344686 /nfs/dbraw/zinc/34/46/86/571344686.db2.gz RBOGPICPPHWTCK-UHFFFAOYSA-N 0 0 360.438 5.153 50 30 FKEARN N#Cc1cccc(/N=c2\oc3ccccc3cc2-c2nc3ccccc3[nH]2)c1 ZINC000003108427 204078629 /nfs/dbraw/zinc/07/86/29/204078629.db2.gz XOVLILKHBSLTCT-BZZOAKBMSA-N 0 0 362.392 5.080 50 30 FKEARN CC(=O)c1ccc(N=Cc2ccc(C=Nc3ccc(C(C)=O)cc3)cc2)cc1 ZINC000003110085 204078460 /nfs/dbraw/zinc/07/84/60/204078460.db2.gz USHFYDUSLVAZJE-RYQLWAFASA-N 0 0 368.436 5.593 50 30 FKEARN O=[N+]([O-])c1cc(/N=C/c2ccccc2OCc2ccccc2)ccc1Cl ZINC000003110089 527326367 /nfs/dbraw/zinc/32/63/67/527326367.db2.gz INKAXZZXNBRKND-LPYMAVHISA-N 0 0 366.804 5.578 50 30 FKEARN N#C[C@H](c1cccc(C(F)(F)F)c1)c1ncc(C(F)(F)F)cc1Cl ZINC000003111046 570551829 /nfs/dbraw/zinc/55/18/29/570551829.db2.gz RZAXPFOSTTZHOJ-LLVKDONJSA-N 0 0 364.676 5.428 50 30 FKEARN N#C[C@@H](c1cccc(C(F)(F)F)c1)c1ncc(C(F)(F)F)cc1Cl ZINC000003111047 206956959 /nfs/dbraw/zinc/95/69/59/206956959.db2.gz RZAXPFOSTTZHOJ-NSHDSACASA-N 0 0 364.676 5.428 50 30 FKEARN Cc1ccc(/N=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1C ZINC000003112591 525967978 /nfs/dbraw/zinc/96/79/78/525967978.db2.gz PZZHLAYLOVJCRC-OEAKJJBVSA-N 0 0 374.396 5.181 50 30 FKEARN Clc1cccc(COc2ccc(/C=N/c3cccc(Cl)c3)cc2)c1 ZINC000003112642 571293455 /nfs/dbraw/zinc/29/34/55/571293455.db2.gz RPZSQAPCOHBNFL-YDZHTSKRSA-N 0 0 356.252 6.323 50 30 FKEARN Cc1ccc2[nH]c(-c3cc(N=Cc4ccc(Cl)cc4)ccc3O)nc2c1 ZINC000003112953 570535260 /nfs/dbraw/zinc/53/52/60/570535260.db2.gz CYZDTQXZDBBDQL-FSJBWODESA-N 0 0 361.832 5.648 50 30 FKEARN Cc1ccc2sc(-c3ccc(/N=C/c4ccc([N+](=O)[O-])cc4)cc3)nc2c1 ZINC000003113035 571344858 /nfs/dbraw/zinc/34/48/58/571344858.db2.gz WSAUFBUQQXOUIU-LPYMAVHISA-N 0 0 373.437 5.931 50 30 FKEARN Clc1cccc(-c2nc3cc(/N=C/c4ccccc4)ccc3o2)c1Cl ZINC000003113159 204077691 /nfs/dbraw/zinc/07/76/91/204077691.db2.gz LIYSQUNKOUMICQ-FSJBWODESA-N 0 0 367.235 6.552 50 30 FKEARN COC(=O)c1ccc(/C=N/c2ccc(-c3nc4ccc(C)cc4o3)cc2)cc1 ZINC000003113226 571344842 /nfs/dbraw/zinc/34/48/42/571344842.db2.gz MRZNGCMWXFMPFX-ZVHZXABRSA-N 0 0 370.408 5.340 50 30 FKEARN Oc1ccc(Cl)cc1/C=N/c1ccc2nc(-c3cccc(F)c3)oc2c1 ZINC000003113290 204078737 /nfs/dbraw/zinc/07/87/37/204078737.db2.gz FBIQLNMKOILLQZ-FOKLQQMPSA-N 0 0 366.779 5.744 50 30 FKEARN Oc1ccccc1/C=N/c1ccc2oc(-c3ccc(F)cc3Cl)nc2c1 ZINC000003113551 571344849 /nfs/dbraw/zinc/34/48/49/571344849.db2.gz DRKPZQGINPZAMP-FOKLQQMPSA-N 0 0 366.779 5.744 50 30 FKEARN Cc1ccc(-c2nc3cc(/N=C/c4ccc(Cl)cc4)ccc3o2)cc1C ZINC000003113630 204077979 /nfs/dbraw/zinc/07/79/79/204077979.db2.gz QPYMHAXHIXMOGI-ZMOGYAJESA-N 0 0 360.844 6.516 50 30 FKEARN CCCCOC(=O)c1ccc(/N=C/c2c(C)c(Cl)c(C)cc2O)cc1 ZINC000003113669 210450557 /nfs/dbraw/zinc/45/05/57/210450557.db2.gz JUUAQQGBQGHSHS-WSDLNYQXSA-N 0 0 359.853 5.370 50 30 FKEARN Cc1cc(O)c(/C=N/c2ccc(C(=O)c3ccccc3)cc2)c(C)c1Cl ZINC000003113675 204078753 /nfs/dbraw/zinc/07/87/53/204078753.db2.gz NVWNNTINJUJMSV-ZMOGYAJESA-N 0 0 363.844 5.644 50 30 FKEARN Clc1ccc(-c2nc3cc(/N=C/c4ccccc4)ccc3o2)cc1Cl ZINC000003113780 571293468 /nfs/dbraw/zinc/29/34/68/571293468.db2.gz ZQAUIBPMHASXQN-FSJBWODESA-N 0 0 367.235 6.552 50 30 FKEARN Clc1ccc(/C=N/c2ccc3oc(-c4ccccc4)nc3c2)cc1Cl ZINC000003113869 204077782 /nfs/dbraw/zinc/07/77/82/204077782.db2.gz RKZGJWZYPDDAKW-FSJBWODESA-N 0 0 367.235 6.552 50 30 FKEARN Clc1ccc(/C=N/c2cccc(-c3nc4ccccc4o3)c2)cc1Cl ZINC000003113877 570598324 /nfs/dbraw/zinc/59/83/24/570598324.db2.gz NXKQZASWJGCOGS-FSJBWODESA-N 0 0 367.235 6.552 50 30 FKEARN COc1cccc(/C=N/c2ccc(-c3nc4c(cccc4C)o3)cc2)c1O ZINC000003114025 210451169 /nfs/dbraw/zinc/45/11/69/210451169.db2.gz JNGHGFPJSYEASO-YDZHTSKRSA-N 0 0 358.397 5.268 50 30 FKEARN Cc1ccc(-c2nc3cc(/N=C/c4ccccc4[N+](=O)[O-])ccc3o2)cc1C ZINC000003114033 210450993 /nfs/dbraw/zinc/45/09/93/210450993.db2.gz WFZCYOZIYXHHNH-YDZHTSKRSA-N 0 0 371.396 5.770 50 30 FKEARN Cc1ccc(-c2nc3cc(/N=C/C=C/c4ccccc4)ccc3o2)cc1C ZINC000003114088 571344823 /nfs/dbraw/zinc/34/48/23/571344823.db2.gz CIZFNGFCPDNSIU-HQUXDSKKSA-N 0 0 352.437 6.527 50 30 FKEARN Cc1cccc2oc(-c3cccc(/N=C/c4ccc([N+](=O)[O-])cc4)c3)nc21 ZINC000003115212 206956810 /nfs/dbraw/zinc/95/68/10/206956810.db2.gz FUPHAEAXFMICRP-LPYMAVHISA-N 0 0 357.369 5.462 50 30 FKEARN Cc1cccc2oc(-c3ccc(/N=C/c4ccccc4[N+](=O)[O-])cc3)nc21 ZINC000003115333 571344840 /nfs/dbraw/zinc/34/48/40/571344840.db2.gz PGOOJCDTFXCHLF-LPYMAVHISA-N 0 0 357.369 5.462 50 30 FKEARN N#C[C@H](c1ccc(Sc2ccccc2)nn1)c1ccc(Cl)cc1Cl ZINC000003117026 571344924 /nfs/dbraw/zinc/34/49/24/571344924.db2.gz TUUBTDGWPIGQJJ-HNNXBMFYSA-N 0 0 372.280 5.590 50 30 FKEARN N#C[C@@H](c1ccc(Sc2ccccc2)nn1)c1ccc(Cl)cc1Cl ZINC000003117027 204078429 /nfs/dbraw/zinc/07/84/29/204078429.db2.gz TUUBTDGWPIGQJJ-OAHLLOKOSA-N 0 0 372.280 5.590 50 30 FKEARN COc1cccc(-c2nc3cc(/N=C/C=C/c4ccccc4)ccc3o2)c1 ZINC000003117072 204077965 /nfs/dbraw/zinc/07/79/65/204077965.db2.gz CRYXUFHMSFMMSZ-XWJCGCQVSA-N 0 0 354.409 5.919 50 30 FKEARN C(=N\c1ccc2c3c(cccc31)CC2)\c1ccc(OCc2ccccc2)cc1 ZINC000003117116 570679335 /nfs/dbraw/zinc/67/93/35/570679335.db2.gz CZBSKSIEWSCAKU-PKAZHMFMSA-N 0 0 363.460 6.268 50 30 FKEARN O=C(Oc1ccc(/C=N/c2ccc(Cl)cc2)cc1)c1ccccc1Cl ZINC000003117317 526438706 /nfs/dbraw/zinc/43/87/06/526438706.db2.gz PPWZXEXEQZTSEB-YDZHTSKRSA-N 0 0 370.235 5.963 50 30 FKEARN O=C(Oc1ccc(/C=N/c2ccccc2)cc1)c1ccc(Cl)cc1Cl ZINC000003117375 526439883 /nfs/dbraw/zinc/43/98/83/526439883.db2.gz FAVGBFMWZWKHAZ-YDZHTSKRSA-N 0 0 370.235 5.963 50 30 FKEARN O=[N+]([O-])c1ccc(-c2ccc(/C=N/c3ccc(-c4ccccc4)cc3)o2)cc1 ZINC000003118026 206958796 /nfs/dbraw/zinc/95/87/96/206958796.db2.gz FYKIQEHPARIZDC-LFVJCYFKSA-N 0 0 368.392 6.272 50 30 FKEARN O=C(Nc1cccc(Cl)c1)ON=C(c1ccccc1)c1ccccc1 ZINC000003118574 204078115 /nfs/dbraw/zinc/07/81/15/204078115.db2.gz QOVYCPYXPQYLRC-UHFFFAOYSA-N 0 0 350.805 5.341 50 30 FKEARN Cc1ccc(Sc2cc(C)c(C#N)c(Sc3ccc(C)cc3)n2)cc1 ZINC000003119184 571344828 /nfs/dbraw/zinc/34/48/28/571344828.db2.gz WQEDRFJFSUFACC-UHFFFAOYSA-N 0 0 362.523 6.181 50 30 FKEARN FC(F)(F)c1cccc(NC(=S)N/N=C/c2cccc3ccccc23)c1 ZINC000003119219 570551664 /nfs/dbraw/zinc/55/16/64/570551664.db2.gz 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/nfs/dbraw/zinc/98/08/37/534980837.db2.gz WAXUBJCBNWGLIX-SIKLNZKXSA-N 0 0 364.533 6.326 50 30 FKEARN O=[N+]([O-])c1ccc(/C=N/c2ccccc2/N=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000003122188 571132451 /nfs/dbraw/zinc/13/24/51/571132451.db2.gz HJLFCHNAMMYVAO-JFMUQQRKSA-N 0 0 374.356 5.004 50 30 FKEARN S=C(N/N=C/c1c2ccccc2cc2ccccc21)Nc1ccccc1 ZINC000003122921 204079446 /nfs/dbraw/zinc/07/94/46/204079446.db2.gz IOXANBGTOKHNTB-HZHRSRAPSA-N 0 0 355.466 5.314 50 30 FKEARN O=C(Nc1ccc(Cl)cc1)OCC#Cc1ccc(-c2ccccn2)s1 ZINC000003125879 205299235 /nfs/dbraw/zinc/29/92/35/205299235.db2.gz KEFXUWDEBMUNGN-UHFFFAOYSA-N 0 0 368.845 5.064 50 30 FKEARN O=C(Nc1cccc(Cl)c1)OCC#Cc1ccc(-c2ccccn2)s1 ZINC000003125880 205281354 /nfs/dbraw/zinc/28/13/54/205281354.db2.gz YXPLCBWVVMFKDA-UHFFFAOYSA-N 0 0 368.845 5.064 50 30 FKEARN CCCCCCCCOc1ccc(-c2ccc(Br)cc2)cc1 ZINC000003125937 571264999 /nfs/dbraw/zinc/26/49/99/571264999.db2.gz JZJSOSKVBYYDHQ-UHFFFAOYSA-N 0 0 361.323 6.855 50 30 FKEARN N#Cc1cc(CCCCc2cc(C#N)c3ccccc3c2)cc2ccccc12 ZINC000003126350 204079241 /nfs/dbraw/zinc/07/92/41/204079241.db2.gz VBEQYCCZNDGEBQ-UHFFFAOYSA-N 0 0 360.460 6.302 50 30 FKEARN CCOC(=O)c1c(Cl)c(C(C)(C)C)nc(Sc2ccccc2)c1C#N ZINC000003126900 571344905 /nfs/dbraw/zinc/34/49/05/571344905.db2.gz JJUBWGUQJATOOI-UHFFFAOYSA-N 0 0 374.893 5.232 50 30 FKEARN O=C(Nc1ccc(Cl)cc1)OCc1ccc(C#Cc2ccccc2)s1 ZINC000003127470 571145722 /nfs/dbraw/zinc/14/57/22/571145722.db2.gz RKMHIBRMWAGAFQ-UHFFFAOYSA-N 0 0 367.857 5.550 50 30 FKEARN O=C(OCc1ccc(C#Cc2ccccc2)s1)c1ccc(Cl)cc1 ZINC000003127478 571133232 /nfs/dbraw/zinc/13/32/32/571133232.db2.gz SZBQAMJWRYFVFE-UHFFFAOYSA-N 0 0 352.842 5.158 50 30 FKEARN O=C(OCc1ccc(C#Cc2ccccc2)s1)c1ccccc1Cl ZINC000003127479 526425999 /nfs/dbraw/zinc/42/59/99/526425999.db2.gz MVCHRDHJLCVANN-UHFFFAOYSA-N 0 0 352.842 5.158 50 30 FKEARN CC(C)(C)c1ccc(C(=O)OCc2ccc(C#Cc3ccccc3)s2)cc1 ZINC000003127480 519024377 /nfs/dbraw/zinc/02/43/77/519024377.db2.gz YRUAEHXLZDJODS-UHFFFAOYSA-N 0 0 374.505 5.802 50 30 FKEARN N#Cc1ccc(-c2ccccc2)nc1Sc1ccc(Br)cc1 ZINC000003128228 571344974 /nfs/dbraw/zinc/34/49/74/571344974.db2.gz VINRMHOXLBGYAC-UHFFFAOYSA-N 0 0 367.271 5.534 50 30 FKEARN N#Cc1ccc(-c2ccccc2)nc1Sc1cccc(C(F)(F)F)c1 ZINC000003128233 204079675 /nfs/dbraw/zinc/07/96/75/204079675.db2.gz TXVUVTSPZVXCOS-UHFFFAOYSA-N 0 0 356.372 5.790 50 30 FKEARN N#Cc1ccc(-c2ccc(Cl)cc2)nc1Sc1ccc(Cl)cc1 ZINC000003128240 206958640 /nfs/dbraw/zinc/95/86/40/206958640.db2.gz CAXVDTRYPFSFHD-UHFFFAOYSA-N 0 0 357.265 6.078 50 30 FKEARN N#Cc1ccc(-c2ccc(Cl)cc2)nc1SCc1ccc(Cl)cc1 ZINC000003128243 571344975 /nfs/dbraw/zinc/34/49/75/571344975.db2.gz JJFLSYCHDYKRJR-UHFFFAOYSA-N 0 0 371.292 6.219 50 30 FKEARN N#Cc1ccc(-c2ccc(Cl)cc2)nc1Oc1cccc(C(F)(F)F)c1 ZINC000003128246 204079670 /nfs/dbraw/zinc/07/96/70/204079670.db2.gz KVKSXIBUZBUWEI-UHFFFAOYSA-N 0 0 374.749 6.085 50 30 FKEARN N#Cc1ccc(-c2ccc(Cl)c(Cl)c2)nc1Oc1ccc(F)cc1 ZINC000003128319 571344935 /nfs/dbraw/zinc/34/49/35/571344935.db2.gz LOFQYVSMDLIWBX-UHFFFAOYSA-N 0 0 359.187 5.858 50 30 FKEARN N#Cc1ccc(-c2ccc(F)cc2)nc1Sc1cccc(C(F)(F)F)c1 ZINC000003128334 571344964 /nfs/dbraw/zinc/34/49/64/571344964.db2.gz SWPBXHPQMFVQFQ-UHFFFAOYSA-N 0 0 374.362 5.929 50 30 FKEARN N#Cc1ccc(-c2ccc(F)cc2)nc1Oc1ccc(Cl)c(Cl)c1 ZINC000003128339 204079224 /nfs/dbraw/zinc/07/92/24/204079224.db2.gz DIPMIJOELRXPKR-UHFFFAOYSA-N 0 0 359.187 5.858 50 30 FKEARN N#Cc1ccc(-c2ccc(F)cc2)nc1Oc1cccc(Cl)c1Cl ZINC000003128340 204079926 /nfs/dbraw/zinc/07/99/26/204079926.db2.gz GPKXMELOBGYSBD-UHFFFAOYSA-N 0 0 359.187 5.858 50 30 FKEARN N#Cc1ccc(-c2cccc(C(F)(F)F)c2)nc1Oc1ccc(F)cc1 ZINC000003128351 571344962 /nfs/dbraw/zinc/34/49/62/571344962.db2.gz RCLWUFQUPWYZLG-UHFFFAOYSA-N 0 0 358.294 5.570 50 30 FKEARN N#Cc1ccc(-c2cccc(C(F)(F)F)c2)nc1Oc1cccc(Cl)c1 ZINC000003128376 571344929 /nfs/dbraw/zinc/34/49/29/571344929.db2.gz BUJSHGJVMKEWNB-UHFFFAOYSA-N 0 0 374.749 6.085 50 30 FKEARN CCCCCc1ccc(C(=O)O/N=C/c2c(Cl)cccc2Cl)cc1 ZINC000003128744 520323382 /nfs/dbraw/zinc/32/33/82/520323382.db2.gz NMVNGBONAKKXQG-LPYMAVHISA-N 0 0 364.272 5.917 50 30 FKEARN C(=N/c1ccc2[nH]c3ccc(/N=C/c4ccccc4)cc3c2c1)\c1ccccc1 ZINC000003128813 571106800 /nfs/dbraw/zinc/10/68/00/571106800.db2.gz ADLAGHAWPHZCJN-XUIWWLCJSA-N 0 0 373.459 6.822 50 30 FKEARN O=C1C2=C(c3ccccc3)c3cc(Cl)ccc3[C@H]2Sc2ccccc21 ZINC000003129462 570552342 /nfs/dbraw/zinc/55/23/42/570552342.db2.gz KSVFJRXKCOCVRD-JOCHJYFZSA-N 0 0 360.865 6.185 50 30 FKEARN O=C1C2=C(c3ccccc3)c3cc(Cl)ccc3[C@@H]2Sc2ccccc21 ZINC000003129463 204079388 /nfs/dbraw/zinc/07/93/88/204079388.db2.gz KSVFJRXKCOCVRD-QFIPXVFZSA-N 0 0 360.865 6.185 50 30 FKEARN CC(C)(C)c1cc(/C=N/c2nc3ccccc3s2)cc(C(C)(C)C)c1O ZINC000003129908 206957678 /nfs/dbraw/zinc/95/76/78/206957678.db2.gz DUZAQPZASPDTEI-YDZHTSKRSA-N 0 0 366.530 6.348 50 30 FKEARN C(C=[NH+][N-]c1ccccc1)=Nc1cccc(N=CC=[NH+][N-]c2ccccc2)c1 ZINC000003129921 518369566 /nfs/dbraw/zinc/36/95/66/518369566.db2.gz XCMZPCYSZSCDKK-OZNRLXPGSA-N 0 0 368.444 5.287 50 30 FKEARN C(C=[NH+][N-]c1ccccc1)=Nc1ccccc1N=CC=[NH+][N-]c1ccccc1 ZINC000003129922 571311368 /nfs/dbraw/zinc/31/13/68/571311368.db2.gz FSGMARCBYHKFAU-BDVUCFRDSA-N 0 0 368.444 5.287 50 30 FKEARN C(C=[NH+][N-]c1ccccc1)=Nc1ccc(N=CC=[NH+][N-]c2ccccc2)cc1 ZINC000003129923 518369715 /nfs/dbraw/zinc/36/97/15/518369715.db2.gz SWSVKSZWSPUGQY-BDVUCFRDSA-N 0 0 368.444 5.287 50 30 FKEARN CC(C)(C)C1=CC(=C/C=C(\Cl)c2ccccc2)C=C(C(C)(C)C)C1=O ZINC000003130061 204079725 /nfs/dbraw/zinc/07/97/25/204079725.db2.gz NUPKMQDBUXXAIH-MOSHPQCFSA-N 0 0 354.921 6.720 50 30 FKEARN C=CCOc1ccc(-c2ccc(C(=O)Oc3ccc(OC)cc3)cc2)cc1 ZINC000003131014 571307898 /nfs/dbraw/zinc/30/78/98/571307898.db2.gz HWWHQIWTQGVRGL-UHFFFAOYSA-N 0 0 360.409 5.146 50 30 FKEARN COc1ccc(Sc2ncc(-c3ccc(Cl)cc3)cc2C#N)cc1 ZINC000003133092 571345024 /nfs/dbraw/zinc/34/50/24/571345024.db2.gz SXRWODSCECXDFI-UHFFFAOYSA-N 0 0 352.846 5.433 50 30 FKEARN N#Cc1cc(-c2ccc(Cl)cc2)cnc1Sc1ccccc1Cl ZINC000003133093 571345032 /nfs/dbraw/zinc/34/50/32/571345032.db2.gz 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207003067 /nfs/dbraw/zinc/00/30/67/207003067.db2.gz KZNXCTAWURBQKL-SRZZPIQSSA-N 0 0 357.244 5.205 50 30 FKEARN COc1ccccc1/C=C/C(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 ZINC000004154780 524315539 /nfs/dbraw/zinc/31/55/39/524315539.db2.gz BGQGRUBDTCTPNA-NTCAYCPXSA-N 0 0 371.436 5.152 50 30 FKEARN O=C(/C=C/c1ccccc1Cl)c1cccc(NC(=O)c2ccco2)c1 ZINC000004154867 527634970 /nfs/dbraw/zinc/63/49/70/527634970.db2.gz FEIWXCLHGZJTMI-ZHACJKMWSA-N 0 0 351.789 5.081 50 30 FKEARN O=C(/C=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc(F)cc1 ZINC000004158525 204124223 /nfs/dbraw/zinc/12/42/23/204124223.db2.gz KQEXRBGZAHCHRN-RMKNXTFCSA-N 0 0 361.199 6.289 50 30 FKEARN Cc1ccc(C(=O)/C=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 ZINC000004158528 526014413 /nfs/dbraw/zinc/01/44/13/526014413.db2.gz QWEMVGXVVKKFHH-JXMROGBWSA-N 0 0 357.236 6.458 50 30 FKEARN COc1ccc(C(=O)/C=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 ZINC000004158529 523538057 /nfs/dbraw/zinc/53/80/57/523538057.db2.gz FRZDBDNJVWDQRI-JXMROGBWSA-N 0 0 373.235 6.158 50 30 FKEARN O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)c1cccc([N+](=O)[O-])c1 ZINC000004158534 527604849 /nfs/dbraw/zinc/60/48/49/527604849.db2.gz SNRSRHOFGIUHJE-CSKARUKUSA-N 0 0 353.761 5.404 50 30 FKEARN CCOc1cc(C=NNc2c(Cl)cc(Cl)cc2Cl)ccc1O ZINC000004159346 571356204 /nfs/dbraw/zinc/35/62/04/571356204.db2.gz ZXRYBMKOYYZBRA-UFWORHAWSA-N 0 0 359.640 5.197 50 30 FKEARN O=C(/C=C/c1ccc(-c2ccc(Br)cc2)o1)c1ccccc1 ZINC000004159631 207003820 /nfs/dbraw/zinc/00/38/20/207003820.db2.gz ZLYBAHXMYKUAPI-ZRDIBKRKSA-N 0 0 353.215 5.605 50 30 FKEARN Cc1ccc(C(=O)/C=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1 ZINC000004159714 526014663 /nfs/dbraw/zinc/01/46/63/526014663.db2.gz YJZGJQNNECPOCJ-PKNBQFBNSA-N 0 0 357.236 6.458 50 30 FKEARN Cc1ccc(C(=O)/C=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 ZINC000004159715 526015511 /nfs/dbraw/zinc/01/55/11/526015511.db2.gz KSRJBIVBVCNQIX-JXMROGBWSA-N 0 0 357.236 6.458 50 30 FKEARN Cc1ccc(C(=O)/C=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 ZINC000004159718 526015630 /nfs/dbraw/zinc/01/56/30/526015630.db2.gz 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571356141 /nfs/dbraw/zinc/35/61/41/571356141.db2.gz IEISOGSWFXCGGL-UHFFFAOYSA-N 0 0 368.484 5.470 50 30 FKEARN Cc1ccc([C@@H]2c3c(ccc4ccccc43)NC3=C2C(=O)CC(C)(C)C3)o1 ZINC000004166495 571052706 /nfs/dbraw/zinc/05/27/06/571052706.db2.gz RXVJKYPXZUCKOY-HSZRJFAPSA-N 0 0 357.453 5.942 50 30 FKEARN Cc1ccc([C@H]2c3c(ccc4ccccc43)NC3=C2C(=O)CC(C)(C)C3)o1 ZINC000004166498 207004367 /nfs/dbraw/zinc/00/43/67/207004367.db2.gz RXVJKYPXZUCKOY-QHCPKHFHSA-N 0 0 357.453 5.942 50 30 FKEARN Cc1cc(C=NNc2cc(C)c3ccccc3n2)c(C)n1-c1ccccc1 ZINC000004172035 219553057 /nfs/dbraw/zinc/55/30/57/219553057.db2.gz IDTWVDKXTSFBRQ-BUVRLJJBSA-N 0 0 354.457 5.397 50 30 FKEARN N#Cc1c(NC(=O)c2cc(Cl)sc2Cl)sc2c1CCCC2 ZINC000004173493 571055334 /nfs/dbraw/zinc/05/53/34/571055334.db2.gz URMDLQHAIDNJFU-UHFFFAOYSA-N 0 0 357.287 5.119 50 30 FKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3cc(Cl)sc3Cl)sc2C1 ZINC000004173499 219552621 /nfs/dbraw/zinc/55/26/21/219552621.db2.gz KCTWOJFQHFGUGA-SSDOTTSWSA-N 0 0 371.314 5.365 50 30 FKEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3cc(Cl)sc3Cl)sc2C1 ZINC000004173500 206170432 /nfs/dbraw/zinc/17/04/32/206170432.db2.gz KCTWOJFQHFGUGA-ZETCQYMHSA-N 0 0 371.314 5.365 50 30 FKEARN N#Cc1c(NC(=O)c2cc(Cl)sc2Cl)sc2c1CCCCC2 ZINC000004174167 571356425 /nfs/dbraw/zinc/35/64/25/571356425.db2.gz OCGVDXXSUUMDPG-UHFFFAOYSA-N 0 0 371.314 5.509 50 30 FKEARN N#Cc1ccc(C23CC4CC(CC(C4)C2)C3)nc1SCc1ccccn1 ZINC000004175260 571356490 /nfs/dbraw/zinc/35/64/90/571356490.db2.gz SPWWMVLEPHDERM-UHFFFAOYSA-N 0 0 361.514 5.108 50 30 FKEARN Cc1ccccc1NN=C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000004175315 207005226 /nfs/dbraw/zinc/00/52/26/207005226.db2.gz JHDCBCCFXMTNHG-XQNSMLJCSA-N 0 0 352.850 5.112 50 30 FKEARN Cc1cccc(NN=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1 ZINC000004175324 571356463 /nfs/dbraw/zinc/35/64/63/571356463.db2.gz KJIATDAZVOPESK-XQNSMLJCSA-N 0 0 352.850 5.112 50 30 FKEARN Cc1ccc(NN=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000004175331 571356493 /nfs/dbraw/zinc/35/64/93/571356493.db2.gz JLYOCXZWBIGPOB-XQNSMLJCSA-N 0 0 352.850 5.112 50 30 FKEARN N#CC(=NNc1cccc(Cl)c1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000004175369 571356443 /nfs/dbraw/zinc/35/64/43/571356443.db2.gz IJANUPYOEDCHHM-HAHDFKILSA-N 0 0 373.268 5.457 50 30 FKEARN N#CC(=NNc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000004175386 571356442 /nfs/dbraw/zinc/35/64/42/571356442.db2.gz VTPRHIOEXZRCJP-HZHRSRAPSA-N 0 0 373.268 5.457 50 30 FKEARN Cc1ccc(-c2csc(C(C#N)=NNc3ccc(Cl)cc3)n2)c(C)c1 ZINC000004175387 207004245 /nfs/dbraw/zinc/00/42/45/207004245.db2.gz IBIXYXBJZJOOLH-JJIBRWJFSA-N 0 0 366.877 5.420 50 30 FKEARN Cc1ccc(-c2csc(C(C#N)=NNc3ccc(Cl)cc3)n2)cc1C ZINC000004175388 571356465 /nfs/dbraw/zinc/35/64/65/571356465.db2.gz MZGLXLOAWFEOKN-JJIBRWJFSA-N 0 0 366.877 5.420 50 30 FKEARN CCc1ccc(NN=C(C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc1 ZINC000004175447 523962363 /nfs/dbraw/zinc/96/23/63/523962363.db2.gz SMANKEIDOTYLQP-NCELDCMTSA-N 0 0 360.486 5.329 50 30 FKEARN CCc1ccccc1NN=C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000004175471 521849865 /nfs/dbraw/zinc/84/98/65/521849865.db2.gz FICJJYMPEDEVON-JJIBRWJFSA-N 0 0 366.877 5.366 50 30 FKEARN N#CC(=NNc1cc(Cl)ccc1Cl)c1nc(-c2ccccc2)cs1 ZINC000004175483 207004622 /nfs/dbraw/zinc/00/46/22/207004622.db2.gz BYRKPKKGRSNWTF-HZHRSRAPSA-N 0 0 373.268 5.457 50 30 FKEARN N#CC(=NNc1cc(Cl)cc(Cl)c1)c1nc(-c2ccccc2)cs1 ZINC000004175489 207004010 /nfs/dbraw/zinc/00/40/10/207004010.db2.gz IOLMHRFKGFNZCE-HZHRSRAPSA-N 0 0 373.268 5.457 50 30 FKEARN Cc1ccc(NN=C(C#N)c2nc(-c3ccc(C)c(C)c3)cs2)c(C)c1 ZINC000004175512 524914281 /nfs/dbraw/zinc/91/42/81/524914281.db2.gz FPXHIXKKYDTUAR-PLRJNAJWSA-N 0 0 360.486 5.384 50 30 FKEARN Cc1ccc(C)c(NN=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1 ZINC000004175531 571356453 /nfs/dbraw/zinc/35/64/53/571356453.db2.gz OJGOAILLUYYYHO-JJIBRWJFSA-N 0 0 366.877 5.420 50 30 FKEARN Cc1ccc(NN=C(C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc1C ZINC000004175534 524914057 /nfs/dbraw/zinc/91/40/57/524914057.db2.gz DIRPWTCYXPDQSZ-NCELDCMTSA-N 0 0 360.486 5.384 50 30 FKEARN Cc1ccc(-c2csc(C(C#N)=NNc3c(C)cc(C)cc3C)n2)cc1 ZINC000004175558 219552826 /nfs/dbraw/zinc/55/28/26/219552826.db2.gz CZKLEDRRDYWAEP-HKOYGPOVSA-N 0 0 360.486 5.384 50 30 FKEARN Cc1cc(C)c(NN=C(C#N)c2nc(-c3ccc(C)c(C)c3)cs2)c(C)c1 ZINC000004175563 524276385 /nfs/dbraw/zinc/27/63/85/524276385.db2.gz ZNGIURVXRPUAAD-NCELDCMTSA-N 0 0 374.513 5.692 50 30 FKEARN CCc1ccc(-c2csc(C(C#N)=NNc3c(C)cc(C)cc3C)n2)cc1 ZINC000004175564 523857238 /nfs/dbraw/zinc/85/72/38/523857238.db2.gz QLLGNAFZFYQTNM-NCELDCMTSA-N 0 0 374.513 5.638 50 30 FKEARN Cc1cc(C)c(NN=C(C#N)c2nc(-c3ccc(F)cc3)cs2)c(C)c1 ZINC000004175567 571356470 /nfs/dbraw/zinc/35/64/70/571356470.db2.gz GFDDVJVMHCVZEQ-JJIBRWJFSA-N 0 0 364.449 5.214 50 30 FKEARN CC(N=Nc1nc(-c2ccc(Br)cc2)cs1)c1ccccc1 ZINC000004175803 206171286 /nfs/dbraw/zinc/17/12/86/206171286.db2.gz SIEUFRALAPBKDI-NDENLUEZSA-N 0 0 372.291 5.409 50 30 FKEARN Oc1ccccc1CN=Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000004175827 526370089 /nfs/dbraw/zinc/37/00/89/526370089.db2.gz KQGJYKYEGMVHGG-UFWORHAWSA-N 0 0 364.257 5.269 50 30 FKEARN COc1cc2ccccc2cc1C(=O)Nc1ccccc1SCCC#N ZINC000004176919 571356486 /nfs/dbraw/zinc/35/64/86/571356486.db2.gz DDXIFTRIVSTOIX-UHFFFAOYSA-N 0 0 362.454 5.106 50 30 FKEARN COc1cc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)ccc1OC(C)=O ZINC000004178218 219552012 /nfs/dbraw/zinc/55/20/12/219552012.db2.gz VYAHRJXJLCDGCR-DPWLSMTKSA-N 0 0 373.412 5.787 50 30 FKEARN CCN(CC)c1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1 ZINC000004180573 207006408 /nfs/dbraw/zinc/00/64/08/207006408.db2.gz BYLKWMPIZGRAOD-VGOFMYFVSA-N 0 0 358.279 5.191 50 30 FKEARN CC(C)CN(CC(C)C)c1ccc([N+](=O)[O-])cc1C=[NH+][N-]c1ccccc1 ZINC000004180669 519713855 /nfs/dbraw/zinc/71/38/55/519713855.db2.gz GOVAHGCIJNUIER-LPYMAVHISA-N 0 0 368.481 5.159 50 30 FKEARN CN(C)c1ccc(/C=N/c2ccc(C(=O)/C=C/c3ccc(F)cc3)cc2)cc1 ZINC000004180838 571356536 /nfs/dbraw/zinc/35/65/36/571356536.db2.gz PADJLLIEJXKANQ-UNKLTCDHSA-N 0 0 372.443 5.538 50 30 FKEARN O=C(Nc1ccc(/N=C/c2c(O)ccc3ccccc32)cc1)c1ccccc1 ZINC000004181469 207006659 /nfs/dbraw/zinc/00/66/59/207006659.db2.gz KBJQPYODAQAUCX-PCLIKHOPSA-N 0 0 366.420 5.548 50 30 FKEARN Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3ccccc3)cc1)N2 ZINC000004181635 571356543 /nfs/dbraw/zinc/35/65/43/571356543.db2.gz QLXPYLKCHCENEO-MFIRHNNRSA-N 0 0 364.492 6.572 50 30 FKEARN Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3ccccc3)cc1)N2 ZINC000004181637 204126283 /nfs/dbraw/zinc/12/62/83/204126283.db2.gz QLXPYLKCHCENEO-PVRSRAJDSA-N 0 0 364.492 6.572 50 30 FKEARN CC(C)(C)c1cc(CN=Nc2cccc(Cl)n2)cc(C(C)(C)C)c1O ZINC000004181648 210514669 /nfs/dbraw/zinc/51/46/69/210514669.db2.gz XJQYVOOJHXFRJF-WSDLNYQXSA-N 0 0 359.901 5.482 50 30 FKEARN FC(F)(F)c1ccc(N=NCc2ccc(OCc3ccccc3)cc2)nc1 ZINC000004181802 527682916 /nfs/dbraw/zinc/68/29/16/527682916.db2.gz GGUIABASNLEKGD-BRJLIKDPSA-N 0 0 371.362 5.125 50 30 FKEARN O=C1c2ccccc2N[C@@H](c2ccccc2Cl)N1N=C1CCCCCC1 ZINC000004182326 207007015 /nfs/dbraw/zinc/00/70/15/207007015.db2.gz XDLSZDRHOMMHOA-HXUWFJFHSA-N 0 0 367.880 5.617 50 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C=CCn1c(SCc2ccc(C)c(C)c2)nnc1-c1ccc(F)cc1 ZINC000004345959 519240223 /nfs/dbraw/zinc/24/02/23/519240223.db2.gz KHCGBDKSYTZDMY-UHFFFAOYSA-N 0 0 353.466 5.179 50 30 FKEARN C=CCn1c(SCc2ccccc2Cl)nnc1-c1ccc(OC)cc1 ZINC000004345967 519245608 /nfs/dbraw/zinc/24/56/08/519245608.db2.gz LHLDUKOJIYVDSB-UHFFFAOYSA-N 0 0 371.893 5.085 50 30 FKEARN C=CCn1c(SCc2ccc(Cl)cc2)nnc1-c1cccc(C)c1 ZINC000004345977 519240107 /nfs/dbraw/zinc/24/01/07/519240107.db2.gz OWRPAHRUNIQSRM-UHFFFAOYSA-N 0 0 355.894 5.385 50 30 FKEARN C=CCn1c(SCc2c(F)cccc2Cl)nnc1-c1cccc(C)c1 ZINC000004345982 519237084 /nfs/dbraw/zinc/23/70/84/519237084.db2.gz VKUFKRWTJLRPBD-UHFFFAOYSA-N 0 0 373.884 5.524 50 30 FKEARN C=CCn1c(SCc2cc(C)ccc2C)nnc1-c1ccc(OC)cc1 ZINC000004346167 519237734 /nfs/dbraw/zinc/23/77/34/519237734.db2.gz YGRYLWUJMJLQQW-UHFFFAOYSA-N 0 0 365.502 5.049 50 30 FKEARN C=CCn1c(SCc2ccc(C)c(C)c2)nnc1-c1ccc(OC)cc1 ZINC000004346171 519240004 /nfs/dbraw/zinc/24/00/04/519240004.db2.gz ROQNIWWJXFQUDU-UHFFFAOYSA-N 0 0 365.502 5.049 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C[C@@H](OC(=O)c1ccc(Oc2cccc(C#N)c2C#N)cc1)c1ccccc1 ZINC000004593284 210544182 /nfs/dbraw/zinc/54/41/82/210544182.db2.gz FAEHFWDPWZSHJL-MRXNPFEDSA-N 0 0 368.392 5.140 50 30 FKEARN CCCCOc1ccc(CN=Nc2cc(-c3ccccc3)nc(C)n2)cc1 ZINC000004595527 263334435 /nfs/dbraw/zinc/33/44/35/263334435.db2.gz XAKHVBQFRWZHTH-XQNSMLJCSA-N 0 0 360.461 5.077 50 30 FKEARN Cc1nc(N=NC(C)c2ccc(Cl)c(Cl)c2)cc(-c2ccccc2)n1 ZINC000004595556 263334465 /nfs/dbraw/zinc/33/44/65/263334465.db2.gz BYHOUAILYSWRGL-WYMPLXKRSA-N 0 0 371.271 5.595 50 30 FKEARN Fc1cccc(CN=Nc2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1 ZINC000004595643 263334356 /nfs/dbraw/zinc/33/43/56/263334356.db2.gz BZJBHNDEROHVMG-PCLIKHOPSA-N 0 0 368.415 5.396 50 30 FKEARN CCCCOc1ccc(CN=Nc2nc(-c3ccccc3)nc(C)c2C)cc1 ZINC000004595678 263334446 /nfs/dbraw/zinc/33/44/46/263334446.db2.gz KZQKDQFCBSXOOT-LFVJCYFKSA-N 0 0 374.488 5.385 50 30 FKEARN C=CCc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)c1O ZINC000004597177 570597287 /nfs/dbraw/zinc/59/72/87/570597287.db2.gz 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356.494 5.791 50 30 FKEARN C=CCOc1ccc(CNc2ccc(NC(=O)CCC)cc2)cc1OCC ZINC000004661528 571102472 /nfs/dbraw/zinc/10/24/72/571102472.db2.gz SOCJKOWIDBJNKW-UHFFFAOYSA-N 0 0 368.477 5.001 50 30 FKEARN C=CCOc1ccc(CNc2ccc(NC(=O)CCCC)cc2)cc1OC ZINC000004661529 571102463 /nfs/dbraw/zinc/10/24/63/571102463.db2.gz CXDFRMHDDUUBRS-UHFFFAOYSA-N 0 0 368.477 5.001 50 30 FKEARN C=CCOc1ccc(CNc2ccc(Br)cc2)cc1OCC ZINC000004661533 571102439 /nfs/dbraw/zinc/10/24/39/571102439.db2.gz HOSRDKYFAYKRMV-UHFFFAOYSA-N 0 0 362.267 5.025 50 30 FKEARN Cc1ccc(/C=N/N=c2\sc3cc(C)ccc3n2Cc2ccccc2)cc1 ZINC000004663084 207036148 /nfs/dbraw/zinc/03/61/48/207036148.db2.gz HZQSRNJTPMWXMS-UXOTVQNASA-N 0 0 371.509 5.303 50 30 FKEARN O=C1CCCC2=C1[C@@H](c1cccc(Br)c1)Nc1ccccc1N2 ZINC000004663399 204153270 /nfs/dbraw/zinc/15/32/70/204153270.db2.gz WLYZSUPHGVOHBJ-LJQANCHMSA-N 0 0 369.262 5.035 50 30 FKEARN O=C1CCCC2=C1[C@H](c1cccc(Br)c1)Nc1ccccc1N2 ZINC000004663400 570599230 /nfs/dbraw/zinc/59/92/30/570599230.db2.gz 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VQSQBWJWJUQGEA-UHFFFAOYSA-N 0 0 366.814 6.485 50 30 FKEARN N#Cc1ccc(CSc2nnc(-c3ccco3)n2C2CCCCC2)cc1 ZINC000004925675 206185387 /nfs/dbraw/zinc/18/53/87/206185387.db2.gz BBJLQINCSQSXKP-UHFFFAOYSA-N 0 0 364.474 5.207 50 30 FKEARN C=CCOc1ccc(/C=C/C(=O)c2ccc(OCCCCC)cc2)cc1 ZINC000004932307 519013976 /nfs/dbraw/zinc/01/39/76/519013976.db2.gz CWHCKEMPCYSRSK-CXUHLZMHSA-N 0 0 350.458 5.717 50 30 FKEARN N#Cc1c(NC(=O)C23CC4CC(CC(C4)C2)C3)sc2c1CCCCC2 ZINC000004932673 207064099 /nfs/dbraw/zinc/06/40/99/207064099.db2.gz GVHVCTUDEVBWFU-UHFFFAOYSA-N 0 0 354.519 5.044 50 30 FKEARN Cc1c(/C=C/C(=O)c2ccc(Br)cc2)c2ccccc2n1C ZINC000004933833 570562319 /nfs/dbraw/zinc/56/23/19/570562319.db2.gz DATMPUQEGSKQHP-VAWYXSNFSA-N 0 0 354.247 5.145 50 30 FKEARN CCC[C@@H]1c2c(C)nn(-c3ccc(F)cc3)c2NC2=C1C(=O)CC(C)(C)C2 ZINC000004934474 204178670 /nfs/dbraw/zinc/17/86/70/204178670.db2.gz GJQDCDQVKYGGLL-MRXNPFEDSA-N 0 0 367.468 5.272 50 30 FKEARN CCC[C@H]1c2c(C)nn(-c3ccc(F)cc3)c2NC2=C1C(=O)CC(C)(C)C2 ZINC000004934478 204178186 /nfs/dbraw/zinc/17/81/86/204178186.db2.gz GJQDCDQVKYGGLL-INIZCTEOSA-N 0 0 367.468 5.272 50 30 FKEARN Cc1ccc(/C=C(\C(=O)c2ccc(C)cc2)c2nc3ccccc3o2)cc1 ZINC000004935839 207064289 /nfs/dbraw/zinc/06/42/89/207064289.db2.gz XLOUJVGGWJMOHR-HMMYKYKNSA-N 0 0 353.421 5.868 50 30 FKEARN COc1ccc(C(=O)/C(=C\c2ccc(C)o2)c2nc3ccccc3o2)cc1 ZINC000004936847 570563171 /nfs/dbraw/zinc/56/31/71/570563171.db2.gz IZDFZTHNHRZQFF-QGOAFFKASA-N 0 0 359.381 5.161 50 30 FKEARN N#Cc1cccc(NC(=O)c2cc3c(s2)c2ccccc2nc3Cl)c1 ZINC000004938390 207063639 /nfs/dbraw/zinc/06/36/39/207063639.db2.gz OTJQZJKSISFWBY-UHFFFAOYSA-N 0 0 363.829 5.227 50 30 FKEARN N#Cc1ccccc1NC(=O)c1cc2c(s1)c1ccccc1nc2Cl ZINC000004938438 570562899 /nfs/dbraw/zinc/56/28/99/570562899.db2.gz GFNQTYSDPISZKJ-UHFFFAOYSA-N 0 0 363.829 5.227 50 30 FKEARN Cc1nn(C(C)(C)C)c2c1[C@@H](c1ccc(Cl)cc1)C1=C(CCCC1=O)N2 ZINC000004945777 207065058 /nfs/dbraw/zinc/06/50/58/207065058.db2.gz XTBQAVNBCUITJG-GOSISDBHSA-N 0 0 369.896 5.164 50 30 FKEARN Cc1nn(C(C)(C)C)c2c1[C@H](c1ccc(Cl)cc1)C1=C(CCCC1=O)N2 ZINC000004945793 219630225 /nfs/dbraw/zinc/63/02/25/219630225.db2.gz XTBQAVNBCUITJG-SFHVURJKSA-N 0 0 369.896 5.164 50 30 FKEARN Cc1cc(C)c(C(=O)C=Cc2c3ccccc3cc3ccccc32)c(=O)[nH]1 ZINC000004946929 204179688 /nfs/dbraw/zinc/17/96/88/204179688.db2.gz LOBUPBHQMNIYOZ-VAWYXSNFSA-N 0 0 353.421 5.194 50 30 FKEARN CCCCOc1ccc(C(=O)N=C(c2ccccc2)c2ccccc2)cc1 ZINC000004946985 520866464 /nfs/dbraw/zinc/86/64/64/520866464.db2.gz QKGWNMOIKFAMKM-UHFFFAOYSA-N 0 0 357.453 5.543 50 30 FKEARN CCCCc1ccc(C(C)N=Nc2cc(-c3ccccc3)nc(C)n2)cc1 ZINC000004947027 521267582 /nfs/dbraw/zinc/26/75/82/521267582.db2.gz LXIQFJOCJRSKPA-YZSQISJMSA-N 0 0 358.489 5.631 50 30 FKEARN CCCCOc1ccc(CN=Nc2nc(C)cc(-c3ccccc3)n2)cc1 ZINC000004947229 520855184 /nfs/dbraw/zinc/85/51/84/520855184.db2.gz HKVVIKQIZSNCAM-XQNSMLJCSA-N 0 0 360.461 5.077 50 30 FKEARN Cc1cc(-c2ccccc2)nc(N=NC(C)c2ccc(Cl)c(Cl)c2)n1 ZINC000004947249 518467252 /nfs/dbraw/zinc/46/72/52/518467252.db2.gz RXKOHXCIVJMHHY-ZMOGYAJESA-N 0 0 371.271 5.595 50 30 FKEARN Fc1ccccc1CN=Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000004947333 526406459 /nfs/dbraw/zinc/40/64/59/526406459.db2.gz HWSGGPWNJPOMGZ-PCLIKHOPSA-N 0 0 368.415 5.396 50 30 FKEARN CCCCc1ccc(C(C)N=Nc2cc(C)nc(-c3ccccc3)n2)cc1 ZINC000004947386 521266242 /nfs/dbraw/zinc/26/62/42/521266242.db2.gz KBWQPKUTPRPYJH-NLRVBDNBSA-N 0 0 358.489 5.631 50 30 FKEARN Cc1ccc(-c2cc(-c3ccccc3)nc(N=NCc3ccccc3)n2)cc1 ZINC000004947450 525714552 /nfs/dbraw/zinc/71/45/52/525714552.db2.gz YQPVLHCPDQXFTE-KOEQRZSOSA-N 0 0 364.452 5.565 50 30 FKEARN C/C(=N\N=C(/C)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC000004947584 204179976 /nfs/dbraw/zinc/17/99/76/204179976.db2.gz UUHPCZQERPHDJK-VGENTYGXSA-N 0 0 374.098 6.533 50 30 FKEARN C/C(=N/N=C(c1ccccc1)c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000004947609 204179992 /nfs/dbraw/zinc/17/99/92/204179992.db2.gz FETXCABWHUSPHQ-HFTWOUSFSA-N 0 0 374.487 6.615 50 30 FKEARN Cc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccccc1)C1=C(CCCC1=O)N2 ZINC000004948697 204179469 /nfs/dbraw/zinc/17/94/69/204179469.db2.gz VFXGMDMZFHYUPU-QFIPXVFZSA-N 0 0 369.468 5.054 50 30 FKEARN Cc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccccc1)C1=C(CCCC1=O)N2 ZINC000004948701 219629479 /nfs/dbraw/zinc/62/94/79/219629479.db2.gz VFXGMDMZFHYUPU-JOCHJYFZSA-N 0 0 369.468 5.054 50 30 FKEARN O=C(/C=C/c1cccs1)c1ccc(C(=O)/C=C/c2cccs2)cc1 ZINC000004948819 527643137 /nfs/dbraw/zinc/64/31/37/527643137.db2.gz AWFKHBXZPFZQCK-WGDLNXRISA-N 0 0 350.464 5.602 50 30 FKEARN Cc1nn(-c2ccc(C)cc2)c2c1[C@H]([C@H]1CC=CCC1)C1=C(CCCC1=O)N2 ZINC000004948835 207065599 /nfs/dbraw/zinc/06/55/99/207065599.db2.gz MOKATNFSLUOWDM-JTSKRJEESA-N 0 0 373.500 5.362 50 30 FKEARN Cc1nn(-c2ccc(C)cc2)c2c1[C@@H]([C@H]1CC=CCC1)C1=C(CCCC1=O)N2 ZINC000004948837 219630284 /nfs/dbraw/zinc/63/02/84/219630284.db2.gz MOKATNFSLUOWDM-HTAPYJJXSA-N 0 0 373.500 5.362 50 30 FKEARN Cc1nn(-c2ccc(C)cc2)c2c1[C@H]([C@@H]1CC=CCC1)C1=C(CCCC1=O)N2 ZINC000004948839 210584744 /nfs/dbraw/zinc/58/47/44/210584744.db2.gz MOKATNFSLUOWDM-VGSWGCGISA-N 0 0 373.500 5.362 50 30 FKEARN Cc1nn(-c2ccc(C)cc2)c2c1[C@@H]([C@@H]1CC=CCC1)C1=C(CCCC1=O)N2 ZINC000004948842 219630262 /nfs/dbraw/zinc/63/02/62/219630262.db2.gz MOKATNFSLUOWDM-VGOFRKELSA-N 0 0 373.500 5.362 50 30 FKEARN CC(C)NC(=S)NC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000004948889 210584600 /nfs/dbraw/zinc/58/46/00/210584600.db2.gz XJEVPSNUVRRYIP-UHFFFAOYSA-N 0 0 360.526 5.262 50 30 FKEARN CC(=C\c1ccccc1)/C=C1\N=C(SCc2ccccc2)SC1=O ZINC000004953274 204179584 /nfs/dbraw/zinc/17/95/84/204179584.db2.gz JINSXSXKHCBMNY-MNPLYOLFSA-N 0 0 351.496 5.537 50 30 aggregator FKEARN CCc1ccc(/C=C2\S/C(=N/c3cccc(Cl)c3C)NC2=O)cc1 ZINC000004953298 570615017 /nfs/dbraw/zinc/61/50/17/570615017.db2.gz WLVPXDFDSDWJHV-BOPFTXTBSA-N 0 0 356.878 5.102 50 30 FKEARN Cc1cc(C)c(C(=O)C(=Cc2ccccc2Cl)c2ccccc2)c(=O)[nH]1 ZINC000004953412 204179894 /nfs/dbraw/zinc/17/98/94/204179894.db2.gz KCLDKZXMTNMDRD-QGOAFFKASA-N 0 0 363.844 5.069 50 30 FKEARN Cc1cc(C)c(C(=O)C(=Cc2ccc(Cl)cc2)c2ccccc2)c(=O)[nH]1 ZINC000004953422 207066742 /nfs/dbraw/zinc/06/67/42/207066742.db2.gz FBGNMJKPWYHMGS-CPNJWEJPSA-N 0 0 363.844 5.069 50 30 FKEARN O=C1SC(SCc2ccccc2)=N/C1=C\c1c(F)cccc1Cl ZINC000004953736 207066220 /nfs/dbraw/zinc/06/62/20/207066220.db2.gz PXYJXFUSLRRKEY-DHDCSXOGSA-N 0 0 363.866 5.383 50 30 FKEARN Cc1ccc(C2(c3ccc(C)cc3)C[C@H]2C(=O)Nc2ccc(C#N)cc2)cc1 ZINC000004955924 204179393 /nfs/dbraw/zinc/17/93/93/204179393.db2.gz GYYJPQIQHRRVSK-QHCPKHFHSA-N 0 0 366.464 5.120 50 30 FKEARN O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1ccco1)Nc1ccccc1N2 ZINC000004973598 570615143 /nfs/dbraw/zinc/61/51/43/570615143.db2.gz IQHYSXSFSDWXMH-YEJXKQKISA-N 0 0 362.454 5.321 50 30 FKEARN O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccco1)Nc1ccccc1N2 ZINC000004973599 207067407 /nfs/dbraw/zinc/06/74/07/207067407.db2.gz IQHYSXSFSDWXMH-ZSEKCTLFSA-N 0 0 362.454 5.321 50 30 FKEARN O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1ccco1)Nc1ccccc1N2 ZINC000004973600 204182453 /nfs/dbraw/zinc/18/24/53/204182453.db2.gz IQHYSXSFSDWXMH-LRTDBIEQSA-N 0 0 362.454 5.321 50 30 FKEARN O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1ccco1)Nc1ccccc1N2 ZINC000004973601 570615186 /nfs/dbraw/zinc/61/51/86/570615186.db2.gz IQHYSXSFSDWXMH-ASSNKEHSSA-N 0 0 362.454 5.321 50 30 FKEARN O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1cccnc1)Nc1ccccc1N2 ZINC000004973622 207067740 /nfs/dbraw/zinc/06/77/40/207067740.db2.gz GAGQKTZKOCOLBV-OYHNWAKOSA-N 0 0 373.481 5.123 50 30 FKEARN O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1cccnc1)Nc1ccccc1N2 ZINC000004973623 204181773 /nfs/dbraw/zinc/18/17/73/204181773.db2.gz GAGQKTZKOCOLBV-NYHFZMIOSA-N 0 0 373.481 5.123 50 30 FKEARN O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1cccnc1)Nc1ccccc1N2 ZINC000004973627 204182264 /nfs/dbraw/zinc/18/22/64/204182264.db2.gz GAGQKTZKOCOLBV-IVZQSRNASA-N 0 0 373.481 5.123 50 30 FKEARN O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1cccnc1)Nc1ccccc1N2 ZINC000004973628 570615280 /nfs/dbraw/zinc/61/52/80/570615280.db2.gz GAGQKTZKOCOLBV-QRQCRPRQSA-N 0 0 373.481 5.123 50 30 FKEARN C(=NN=c1[nH]c2ccccc2s1)c1cccc(OCc2ccccc2)c1 ZINC000004974094 207068617 /nfs/dbraw/zinc/06/86/17/207068617.db2.gz CAXUSBRFKNHHGJ-HYARGMPZSA-N 0 0 359.454 5.321 50 30 FKEARN Cc1ccc(COc2ccc(C=NNc3nc4ccccc4s3)cc2)cc1 ZINC000004975290 204181625 /nfs/dbraw/zinc/18/16/25/204181625.db2.gz GVJNCEPBVRHBCM-OEAKJJBVSA-N 0 0 373.481 5.630 50 30 FKEARN Cc1ccc(-c2csc(N=NCc3ccc(Cl)cc3Cl)n2)cc1 ZINC000004975299 570615323 /nfs/dbraw/zinc/61/53/23/570615323.db2.gz FUBRCIJLCGXRGT-AWQFTUOYSA-N 0 0 362.285 5.871 50 30 FKEARN Cc1ccc(-c2csc(N=NCc3c(O)ccc4ccccc43)n2)cc1 ZINC000004975300 525781999 /nfs/dbraw/zinc/78/19/99/525781999.db2.gz QSSFVEANJGWYQI-WSDLNYQXSA-N 0 0 359.454 5.423 50 30 FKEARN Cc1ccc(CN=Nc2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000004975305 570615224 /nfs/dbraw/zinc/61/52/24/570615224.db2.gz NWRVBUQIDLTUHI-VXLYETTFSA-N 0 0 372.291 5.327 50 30 FKEARN CCCC[S@@](=O)c1nc(-c2ccc(C)cc2)cc(-c2ccccc2)c1C#N ZINC000004977936 570569409 /nfs/dbraw/zinc/56/94/09/570569409.db2.gz ZPOMALVSSRMCEE-MHZLTWQESA-N 0 0 374.509 5.503 50 30 FKEARN CCCC[S@](=O)c1nc(-c2ccc(C)cc2)cc(-c2ccccc2)c1C#N ZINC000004977937 210587037 /nfs/dbraw/zinc/58/70/37/210587037.db2.gz ZPOMALVSSRMCEE-HHHXNRCGSA-N 0 0 374.509 5.503 50 30 FKEARN N#Cc1ccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)cc1 ZINC000004979175 526585377 /nfs/dbraw/zinc/58/53/77/526585377.db2.gz DPASTQPUMATEKY-RGEXLXHISA-N 0 0 366.445 5.591 50 30 FKEARN COc1cccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)c1 ZINC000004979622 207067480 /nfs/dbraw/zinc/06/74/80/207067480.db2.gz OXPHLKJQTVJLGU-CYVLTUHYSA-N 0 0 371.461 5.728 50 30 FKEARN CCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCCCC1 ZINC000004981027 535140255 /nfs/dbraw/zinc/14/02/55/535140255.db2.gz DSHSVHWCASAKOS-UHFFFAOYSA-N 0 0 360.505 5.391 50 30 FKEARN CC(N=Nc1nc2ccc(Cl)cc2c(-c2ccccc2)n1)c1cccnc1 ZINC000004981189 207067582 /nfs/dbraw/zinc/06/75/82/207067582.db2.gz NTUBADFSWKPJGG-VULFUBBASA-N 0 0 373.847 5.181 50 30 FKEARN CCOc1ccc2nc(Cl)c(/C=C/C(=O)c3ccc(OC)cc3)cc2c1 ZINC000004981192 207067919 /nfs/dbraw/zinc/06/79/19/207067919.db2.gz 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ZINC000004982079 207068043 /nfs/dbraw/zinc/06/80/43/207068043.db2.gz FCLYLGQQEDYBBI-LFVJCYFKSA-N 0 0 353.425 5.260 50 30 FKEARN Cc1ccc2cc(C)c(NN=Cc3ccc(Br)cc3)nc2c1 ZINC000004982091 570615604 /nfs/dbraw/zinc/61/56/04/570615604.db2.gz ZJUNHDPLGQZMSP-RGVLZGJSSA-N 0 0 354.251 5.060 50 30 FKEARN CN(C)c1ccc(C=[NH+][N-]c2nc(-c3cccc4ccccc43)cs2)cc1 ZINC000004982307 522134986 /nfs/dbraw/zinc/13/49/86/522134986.db2.gz YCHSSFJJCRCFLA-OEAKJJBVSA-N 0 0 372.497 5.475 50 30 FKEARN Cc1ccc(Cl)cc1-c1ccc(C=NN=c2[nH]c3ccccc3s2)o1 ZINC000004983088 204181828 /nfs/dbraw/zinc/18/18/28/204181828.db2.gz HXDZTQSSEDGQLC-SRZZPIQSSA-N 0 0 367.861 5.964 50 30 FKEARN CC(N=Nc1nc(-c2ccccc2)cs1)c1ccc(-c2ccccc2)cc1 ZINC000004985259 207069466 /nfs/dbraw/zinc/06/94/66/207069466.db2.gz IBAPMCJLYLGHRH-UQQQWYQISA-N 0 0 369.493 6.313 50 30 FKEARN Cc1ccc(-c2csc(N=NC(C)c3ccc(C(C)(C)C)cc3)n2)cc1 ZINC000004985273 518465852 /nfs/dbraw/zinc/46/58/52/518465852.db2.gz CYUMPEDXKSDUEK-LFVJCYFKSA-N 0 0 363.530 6.252 50 30 FKEARN 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DUMQVNGBCBOBDK-YDZHTSKRSA-N 0 0 366.804 5.027 50 30 FKEARN CC1(C)[C@H]2CC[C@]1(C)C(N=Nc1nc(-c3cccc([N+](=O)[O-])c3)cs1)C2 ZINC000005426098 570626742 /nfs/dbraw/zinc/62/67/42/570626742.db2.gz PNSLDFSWGWJLPV-FTWXIHLNSA-N 0 0 370.478 5.332 50 30 FKEARN O=[N+]([O-])c1ccc(/N=C/c2cccc(Cl)c2Cl)c(Br)c1 ZINC000005426467 570626708 /nfs/dbraw/zinc/62/67/08/570626708.db2.gz DDSDVWNOYXMJAI-REZTVBANSA-N 0 0 374.021 5.415 50 30 FKEARN O=C(/C=C/c1ccc(Cl)cc1Cl)c1sccc1Br ZINC000005427083 570626846 /nfs/dbraw/zinc/62/68/46/570626846.db2.gz KBEGOCUVLRQRNU-DUXPYHPUSA-N 0 0 362.075 5.714 50 30 FKEARN FC(F)(F)c1cnc(N=NCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000005427092 219678080 /nfs/dbraw/zinc/67/80/80/219678080.db2.gz ZBNLITJZKSGMGA-IGCPIRJNSA-N 0 0 368.573 5.507 50 30 FKEARN Fc1cccc(CO/N=C/c2ccc(Sc3ccc(Cl)cc3)nc2)c1 ZINC000005428349 526388418 /nfs/dbraw/zinc/38/84/18/526388418.db2.gz HZBOPJFUEWHPOW-FSJBWODESA-N 0 0 372.852 5.576 50 30 FKEARN S=C1C(Nc2ccccc2)=NC(=Nc2ccccc2)N1c1ccccc1 ZINC000005428421 570626746 /nfs/dbraw/zinc/62/67/46/570626746.db2.gz SGASNBJQJIIQBG-UHFFFAOYSA-N 0 0 356.454 5.032 50 30 FKEARN S=C1N=C(Nc2ccccc2)C2(CCCCC2)N1c1ccc(Cl)cc1 ZINC000005428430 570655061 /nfs/dbraw/zinc/65/50/61/570655061.db2.gz YPZNHZMPPUVRMN-UHFFFAOYSA-N 0 0 369.921 5.879 50 30 FKEARN S=C1N=C(Nc2ccccc2)C2(CCCCC2)N1c1cccc(Cl)c1 ZINC000005428450 570626787 /nfs/dbraw/zinc/62/67/87/570626787.db2.gz FPCRFRWCVUFOPZ-UHFFFAOYSA-N 0 0 369.921 5.468 50 30 FKEARN FC(F)(F)c1cnc(N=NC(Cl)c2ccc(Cl)cc2)c(Cl)c1 ZINC000005428883 219678259 /nfs/dbraw/zinc/67/82/59/219678259.db2.gz PIWCMMGJORQLDH-NHDPSOOVSA-N 0 0 368.573 5.420 50 30 FKEARN COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2OC(F)F)cc1 ZINC000005446563 570656849 /nfs/dbraw/zinc/65/68/49/570656849.db2.gz RSJWBEFCXYNQCM-MDWZMJQESA-N 0 0 354.352 5.346 50 30 FKEARN O=C(/C=C/c1cccc(Cl)c1Cl)c1ccc(Br)cc1 ZINC000005446565 570960312 /nfs/dbraw/zinc/96/03/12/570960312.db2.gz KFBBNNFQRYVHIA-RMKNXTFCSA-N 0 0 356.046 5.652 50 30 FKEARN FC(F)Oc1cccc(C=NNc2c(Cl)cc(Cl)cc2Cl)c1 ZINC000005447084 527696809 /nfs/dbraw/zinc/69/68/09/527696809.db2.gz KCTSYABLVSOHOB-IFRROFPPSA-N 0 0 365.594 5.694 50 30 FKEARN N#Cc1c(-c2ccc(C(F)(F)F)cc2)cc(-c2ccccc2)[nH]c1=S ZINC000005450657 204209566 /nfs/dbraw/zinc/20/95/66/204209566.db2.gz PPGKPIGKNOAPOJ-UHFFFAOYSA-N 0 0 356.372 5.969 50 30 FKEARN C=C(C)COc1ccc(-c2onc(C)c2-c2ccc(Cl)cc2)c(O)c1 ZINC000005451450 570658535 /nfs/dbraw/zinc/65/85/35/570658535.db2.gz NBPIBLBFQZHKJV-UHFFFAOYSA-N 0 0 355.821 5.631 50 30 FKEARN CCCc1c(C)c(C#N)c2nc3ccccc3n2c1N[C@@H](C)c1ccccc1 ZINC000005453230 204209346 /nfs/dbraw/zinc/20/93/46/204209346.db2.gz PSBKHFFWZVACEH-KRWDZBQOSA-N 0 0 368.484 5.793 50 30 FKEARN CCCc1c(C)c(C#N)c2nc3ccccc3n2c1N[C@H](C)c1ccccc1 ZINC000005453236 570658118 /nfs/dbraw/zinc/65/81/18/570658118.db2.gz PSBKHFFWZVACEH-QGZVFWFLSA-N 0 0 368.484 5.793 50 30 FKEARN Cc1cc(SCc2ccc(Cl)cc2)n2c3ccccc3nc2c1C#N ZINC000005453377 570657970 /nfs/dbraw/zinc/65/79/70/570657970.db2.gz OAHFFNKZPNRVBM-UHFFFAOYSA-N 0 0 363.873 5.613 50 30 FKEARN CCCc1cc(SCCc2ccccc2)n2c3ccccc3nc2c1C#N ZINC000005453534 570658075 /nfs/dbraw/zinc/65/80/75/570658075.db2.gz NULLYJDGXKPZKU-UHFFFAOYSA-N 0 0 371.509 5.646 50 30 FKEARN CCCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(C)cc1 ZINC000005453646 570657962 /nfs/dbraw/zinc/65/79/62/570657962.db2.gz FTARZBXTWRKFTF-UHFFFAOYSA-N 0 0 354.457 5.672 50 30 FKEARN CCCNc1c(Cc2ccc(C)cc2)c(C)c(C#N)c2nc3ccccc3n21 ZINC000005453759 570658080 /nfs/dbraw/zinc/65/80/80/570658080.db2.gz APPKFQDEMVJRKQ-UHFFFAOYSA-N 0 0 368.484 5.389 50 30 FKEARN CCCc1cc(SCc2ccccc2)n2c3ccccc3nc2c1C#N ZINC000005454017 207101151 /nfs/dbraw/zinc/10/11/51/207101151.db2.gz ZKXQPCIZQQYRMB-UHFFFAOYSA-N 0 0 357.482 5.604 50 30 FKEARN CCCc1cc(Nc2ccc(Cl)cc2)n2c3ccccc3nc2c1C#N ZINC000005454057 207101178 /nfs/dbraw/zinc/10/11/78/207101178.db2.gz HNGCZIGPQLOODM-UHFFFAOYSA-N 0 0 360.848 5.709 50 30 FKEARN C[C@H](Nc1c2c(c(C#N)c3nc4ccccc4n31)CCCC2)c1ccccc1 ZINC000005454243 570658069 /nfs/dbraw/zinc/65/80/69/570658069.db2.gz IOIQCDIOYPYNIE-INIZCTEOSA-N 0 0 366.468 5.411 50 30 FKEARN C[C@@H](Nc1c2c(c(C#N)c3nc4ccccc4n31)CCCC2)c1ccccc1 ZINC000005454246 570658065 /nfs/dbraw/zinc/65/80/65/570658065.db2.gz IOIQCDIOYPYNIE-MRXNPFEDSA-N 0 0 366.468 5.411 50 30 FKEARN CC(Nc1ccccc1)=C1C(=O)C=C(c2ccco2)C[C@H]1c1ccccc1 ZINC000005454454 570657934 /nfs/dbraw/zinc/65/79/34/570657934.db2.gz VZAAVITZXFOXLO-DIWDRYHZSA-N 0 0 355.437 6.455 50 30 FKEARN CCCc1c(C)c(C#N)c2nc3ccccc3n2c1NCCc1ccccc1 ZINC000005454673 204209531 /nfs/dbraw/zinc/20/95/31/204209531.db2.gz AHRLXAKYMGQKTL-UHFFFAOYSA-N 0 0 368.484 5.275 50 30 FKEARN Clc1ccc(-c2ccc(C=NN=c3[nH]c4ccccc4[nH]3)o2)c(Cl)c1 ZINC000005455333 219681647 /nfs/dbraw/zinc/68/16/47/219681647.db2.gz VFQWWPKBQICNLP-UFFVCSGVSA-N 0 0 371.227 5.576 50 30 FKEARN N#Cc1cccc(NC(=O)c2oc3ccccc3c2COc2ccccc2)c1 ZINC000005456380 570659503 /nfs/dbraw/zinc/65/95/03/570659503.db2.gz IUDPQNDMIYASTN-UHFFFAOYSA-N 0 0 368.392 5.136 50 30 FKEARN Clc1ccc(Cl)c(-c2ccc(C=NN=c3[nH]c4ccccc4[nH]3)o2)c1 ZINC000005458410 570659497 /nfs/dbraw/zinc/65/94/97/570659497.db2.gz ZEXCXTZLDSKQBP-UFFVCSGVSA-N 0 0 371.227 5.576 50 30 FKEARN C=CCn1c(COc2ccc(C(C)(C)c3ccccc3)cc2)n[nH]c1=S ZINC000005461021 519183632 /nfs/dbraw/zinc/18/36/32/519183632.db2.gz AECLCPPRRANGDB-UHFFFAOYSA-N 0 0 365.502 5.032 50 30 FKEARN FC(F)(F)c1cccc(-c2ccc(C=NN=c3[nH]c4ccccc4[nH]3)o2)c1 ZINC000005461245 204209866 /nfs/dbraw/zinc/20/98/66/204209866.db2.gz KCAXXTCUPGZNLL-FOKLQQMPSA-N 0 0 370.334 5.288 50 30 FKEARN CCCO/N=C(\c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC000005468683 204210304 /nfs/dbraw/zinc/21/03/04/204210304.db2.gz TZIHPOQTFXRJFS-MPDJFOPNSA-N 0 0 358.825 5.183 50 30 FKEARN CCCO/N=C(\c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000005468686 520206808 /nfs/dbraw/zinc/20/68/08/520206808.db2.gz TZIHPOQTFXRJFS-AVQLDBEESA-N 0 0 358.825 5.183 50 30 FKEARN CCCO/N=C(\c1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC000005468689 520206452 /nfs/dbraw/zinc/20/64/52/520206452.db2.gz TZIHPOQTFXRJFS-RYKSPBIKSA-N 0 0 358.825 5.183 50 30 FKEARN CCCO/N=C(\c1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000005468693 570627859 /nfs/dbraw/zinc/62/78/59/570627859.db2.gz TZIHPOQTFXRJFS-MDYJUBHLSA-N 0 0 358.825 5.183 50 30 FKEARN C=C(C)CNN=C1CC(C)(C)Cc2[nH]c(CC)c3c4ccccc4nc-3c21 ZINC000005470441 206196016 /nfs/dbraw/zinc/19/60/16/206196016.db2.gz AIBLTCZJJGTNDD-ZXVVBBHZSA-N 0 0 360.505 5.121 50 30 FKEARN C=CCn1c(SC/C=C/c2ccccc2)nnc1-c1ccc(Cl)cc1 ZINC000005477644 519197235 /nfs/dbraw/zinc/19/72/35/519197235.db2.gz GGIHABHVWOHLRK-RMKNXTFCSA-N 0 0 367.905 5.590 50 30 FKEARN C=CCn1c(SCc2ccccc2Cl)nnc1-c1cccc(OC)c1 ZINC000005477645 519244833 /nfs/dbraw/zinc/24/48/33/519244833.db2.gz VZZJSGNHNZKLII-UHFFFAOYSA-N 0 0 371.893 5.085 50 30 FKEARN C=CCn1c(SCc2ccccc2C)nnc1-c1cccc(Cl)c1 ZINC000005478573 519244859 /nfs/dbraw/zinc/24/48/59/519244859.db2.gz OARANTKISUBFDM-UHFFFAOYSA-N 0 0 355.894 5.385 50 30 FKEARN C=CCSc1nnc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)s1 ZINC000005481519 206709239 /nfs/dbraw/zinc/70/92/39/206709239.db2.gz GRNWXMZPIGUQMJ-UHFFFAOYSA-N 0 0 362.564 5.784 50 30 FKEARN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccsc1 ZINC000005482198 204210740 /nfs/dbraw/zinc/21/07/40/204210740.db2.gz OCLMCDGGTKSTRX-UHFFFAOYSA-N 0 0 356.487 5.148 50 30 FKEARN CC1=CC[C@H](C[C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)C1(C)C ZINC000005482569 207102020 /nfs/dbraw/zinc/10/20/20/207102020.db2.gz CBJWLZNFPSSXJG-VQIMIIECSA-N 0 0 364.533 5.918 50 30 FKEARN CC1=CC[C@H](C[C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)C1(C)C ZINC000005482570 207102560 /nfs/dbraw/zinc/10/25/60/207102560.db2.gz CBJWLZNFPSSXJG-APWZRJJASA-N 0 0 364.533 5.918 50 30 FKEARN CC1=CC[C@@H](C[C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)C1(C)C ZINC000005482601 570628220 /nfs/dbraw/zinc/62/82/20/570628220.db2.gz CBJWLZNFPSSXJG-QFBILLFUSA-N 0 0 364.533 5.918 50 30 FKEARN CC1=CC[C@@H](C[C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)C1(C)C ZINC000005482602 570628227 /nfs/dbraw/zinc/62/82/27/570628227.db2.gz CBJWLZNFPSSXJG-LPHOPBHVSA-N 0 0 364.533 5.918 50 30 FKEARN Clc1cc(Cl)c(NN=Cc2cccc3nccnc23)c(Cl)c1 ZINC000005484602 204210503 /nfs/dbraw/zinc/21/05/03/204210503.db2.gz OSMWFLRBMXDBKG-ODCIPOBUSA-N 0 0 351.624 5.036 50 30 FKEARN N#C[C@H](c1ccccc1)[C@@H](CC(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000005486133 210623784 /nfs/dbraw/zinc/62/37/84/210623784.db2.gz VRIGHLDDQQOJIT-FCHUYYIVSA-N 0 0 359.856 6.004 50 30 FKEARN N#C[C@@H](c1ccccc1)[C@@H](CC(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000005488925 570663766 /nfs/dbraw/zinc/66/37/66/570663766.db2.gz VRIGHLDDQQOJIT-VXKWHMMOSA-N 0 0 359.856 6.004 50 30 FKEARN N#C[C@@H](c1ccccc1)[C@H](CC(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000005488928 570663845 /nfs/dbraw/zinc/66/38/45/570663845.db2.gz VRIGHLDDQQOJIT-YADHBBJMSA-N 0 0 359.856 6.004 50 30 FKEARN O=C(/C=C/c1sccc1-c1ccccc1)c1sccc1-c1ccccc1 ZINC000005491189 527651012 /nfs/dbraw/zinc/65/10/12/527651012.db2.gz OSTDZAAAQQKCCG-VAWYXSNFSA-N 0 0 372.514 7.040 50 30 FKEARN C=CCn1c(-c2ccc(F)cc2)cs/c1=N\c1cccc2ccccc21 ZINC000005495054 571103023 /nfs/dbraw/zinc/10/30/23/571103023.db2.gz RMRXHOUFEGDMLG-GYHWCHFESA-N 0 0 360.457 5.927 50 30 FKEARN C=CCn1c(SCc2ccccc2F)nnc1-c1ccc(Cl)cc1 ZINC000005499768 519245139 /nfs/dbraw/zinc/24/51/39/519245139.db2.gz GLZOJWRXQSLBKU-UHFFFAOYSA-N 0 0 359.857 5.216 50 30 FKEARN C=CCn1c(SCC(=O)C(C)(C)C)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000005500057 519198071 /nfs/dbraw/zinc/19/80/71/519198071.db2.gz OSPUWZSOPSZCHZ-UHFFFAOYSA-N 0 0 371.550 5.136 50 30 FKEARN C=CCn1c(SCc2cccc(Cl)c2)nnc1-c1ccc(OC)cc1 ZINC000005500608 571103022 /nfs/dbraw/zinc/10/30/22/571103022.db2.gz AJRTUTSNYAFQKC-UHFFFAOYSA-N 0 0 371.893 5.085 50 30 FKEARN C=CCn1c(SCc2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 ZINC000005500715 519240842 /nfs/dbraw/zinc/24/08/42/519240842.db2.gz TZRMRHIEGBMIDM-UHFFFAOYSA-N 0 0 359.857 5.216 50 30 FKEARN C=CCn1c(SCc2c(F)cccc2Cl)nnc1-c1ccc(C)cc1 ZINC000005501180 519237541 /nfs/dbraw/zinc/23/75/41/519237541.db2.gz NXZABOVPLNQIDS-UHFFFAOYSA-N 0 0 373.884 5.524 50 30 FKEARN CCCCCC#CC#CCCCCCCCCC(=O)Oc1ccc(O)cc1 ZINC000005501938 519921537 /nfs/dbraw/zinc/92/15/37/519921537.db2.gz GSUHBLUSNPSEMM-UHFFFAOYSA-N 0 0 368.517 6.006 50 30 FKEARN CC(C)(C)C1CCC(N=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000005504489 570664289 /nfs/dbraw/zinc/66/42/89/570664289.db2.gz DOCRWTYMQUIYAD-UHFFFAOYSA-N 0 0 357.376 5.618 50 30 FKEARN CSc1nc(Nc2ccc(C)c(C)c2)c(C#N)c(-c2ccc(C)cc2)n1 ZINC000005509620 219685366 /nfs/dbraw/zinc/68/53/66/219685366.db2.gz FJDHGJPRAMAMMP-UHFFFAOYSA-N 0 0 360.486 5.406 50 30 FKEARN CSc1nc(Nc2cc(C)cc(C)c2)c(C#N)c(-c2ccc(C)cc2)n1 ZINC000005509621 204211850 /nfs/dbraw/zinc/21/18/50/204211850.db2.gz IFPRLTZNDHSQOQ-UHFFFAOYSA-N 0 0 360.486 5.406 50 30 FKEARN CCc1ccc(Nc2nc(SC)nc(-c3ccc(C)cc3)c2C#N)cc1 ZINC000005509623 570665084 /nfs/dbraw/zinc/66/50/84/570665084.db2.gz PWWYPCNKVJGHDI-UHFFFAOYSA-N 0 0 360.486 5.352 50 30 FKEARN Fc1ccc(-c2cc(-c3ccccc3)nc(N=NCc3ccccc3)n2)cc1 ZINC000005515303 526314408 /nfs/dbraw/zinc/31/44/08/526314408.db2.gz IVICCGSTYBDIBD-PCLIKHOPSA-N 0 0 368.415 5.396 50 30 FKEARN O=C(C/C=N/OCc1ccc(Cl)cc1)c1cnc(-c2ccccc2)s1 ZINC000005516916 527671450 /nfs/dbraw/zinc/67/14/50/527671450.db2.gz OGRQXSHZAFVCFI-SSDVNMTOSA-N 0 0 370.861 5.239 50 30 FKEARN Cc1cccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)c1 ZINC000005517135 524151484 /nfs/dbraw/zinc/15/14/84/524151484.db2.gz JYRZAXXIHQWXRU-CYVLTUHYSA-N 0 0 355.462 6.028 50 30 FKEARN C=CCn1c(/C=C/c2ccccc2)nnc1SCc1ccc(F)cc1 ZINC000005517759 519149940 /nfs/dbraw/zinc/14/99/40/519149940.db2.gz PVRYJRYRYWROPS-JLHYYAGUSA-N 0 0 351.450 5.066 50 30 FKEARN Clc1ccccc1CN=Nc1ncnc2scc(-c3ccccc3)c21 ZINC000005518978 570666403 /nfs/dbraw/zinc/66/64/03/570666403.db2.gz FCTUBHKDYPVRBY-AUEPDCJTSA-N 0 0 364.861 5.458 50 30 FKEARN CC(C)(C)C#C[C@@H]1N(c2ccccc2)N=C(c2ccccc2)N1C(C)(C)C ZINC000005519976 203829508 /nfs/dbraw/zinc/82/95/08/203829508.db2.gz GTUTUJVDOFKSRU-NRFANRHFSA-N 0 0 359.517 5.345 50 30 FKEARN CC(C)(C)C#C[C@H]1N(c2ccccc2)N=C(c2ccccc2)N1C(C)(C)C ZINC000005519980 210106602 /nfs/dbraw/zinc/10/66/02/210106602.db2.gz GTUTUJVDOFKSRU-OAQYLSRUSA-N 0 0 359.517 5.345 50 30 FKEARN CC1(C)CC(=O)C=C(Nc2ccc(NC(=S)Nc3ccccc3)cc2)C1 ZINC000005523095 570629390 /nfs/dbraw/zinc/62/93/90/570629390.db2.gz QVEVTDCKQNYUBF-UHFFFAOYSA-N 0 0 365.502 5.180 50 30 FKEARN CSc1nc2c(c(-c3cccs3)c1C#N)CC/C2=C/c1cccs1 ZINC000005526402 204213268 /nfs/dbraw/zinc/21/32/68/204213268.db2.gz DYHRLEDAEDPIHP-BENRWUELSA-N 0 0 366.536 5.952 50 30 FKEARN C=CCn1c(-c2ccc(OC)cc2)cs/c1=N\c1cccc2ccccc21 ZINC000005527138 570666859 /nfs/dbraw/zinc/66/68/59/570666859.db2.gz NFYCUDYXYYKUSG-VHXPQNKSSA-N 0 0 372.493 5.797 50 30 FKEARN Clc1cc(Cl)c(NN=Cc2cnc3ccccc3n2)c(Cl)c1 ZINC000005529082 204213652 /nfs/dbraw/zinc/21/36/52/204213652.db2.gz USSSVSXAWIOJSV-DNTJNYDQSA-N 0 0 351.624 5.036 50 30 FKEARN C=CCn1c(C)c(/C=N/c2sc3c(c2C#N)CCCC3)c2ccccc21 ZINC000005530151 570776907 /nfs/dbraw/zinc/77/69/07/570776907.db2.gz MWGYNSFUNXCMLF-ZVHZXABRSA-N 0 0 359.498 5.698 50 30 FKEARN Clc1cc(Cl)c(NN=Cc2ccc3nccnc3c2)c(Cl)c1 ZINC000005532527 204213955 /nfs/dbraw/zinc/21/39/55/204213955.db2.gz DPWDMXYWAHQESY-ODCIPOBUSA-N 0 0 351.624 5.036 50 30 FKEARN Cc1ccc(-c2ccc(/C=C/C(=O)c3ccc(-c4ccc(F)cc4)o3)o2)cc1 ZINC000005543137 525743068 /nfs/dbraw/zinc/74/30/68/525743068.db2.gz OVYXDNVBUVTSAE-ZRDIBKRKSA-N 0 0 372.395 6.550 50 30 FKEARN Cc1ccc(-c2ccc(/C=C/C(=O)c3ccc(Cl)cc3)o2)cc1Cl ZINC000005543169 525742091 /nfs/dbraw/zinc/74/20/91/525742091.db2.gz KZBUIXHKRFYPKX-CSKARUKUSA-N 0 0 357.236 6.458 50 30 FKEARN Cc1ccc(-c2ccc(/C=C/C(=O)c3ccc(Cl)cc3)o2)c([N+](=O)[O-])c1 ZINC000005543173 204215109 /nfs/dbraw/zinc/21/51/09/204215109.db2.gz NMSYRIOMALTWTR-JXMROGBWSA-N 0 0 367.788 5.713 50 30 FKEARN O[C@@H](CC(=NNc1ccccc1)c1ccccc1)CC(Cl)(Cl)Cl ZINC000005544432 207104686 /nfs/dbraw/zinc/10/46/86/207104686.db2.gz SHKKYPMKPQTNOR-OAZPQLMHSA-N 0 0 371.695 5.014 50 30 FKEARN O[C@H](CC(=NNc1ccccc1)c1ccccc1)CC(Cl)(Cl)Cl ZINC000005544434 570668562 /nfs/dbraw/zinc/66/85/62/570668562.db2.gz SHKKYPMKPQTNOR-QJIFYWSCSA-N 0 0 371.695 5.014 50 30 FKEARN 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O=C1Nc2ccc(F)cc2C1=NNc1c(Cl)cc(Cl)cc1Cl ZINC000006673250 570651525 /nfs/dbraw/zinc/65/15/25/570651525.db2.gz XROXSGSXTWDRIQ-UHFFFAOYSA-N 0 0 358.587 5.204 50 30 FKEARN Clc1cccc(NN=Cc2cn(-c3ccccc3)nc2-c2ccccc2)c1 ZINC000006675154 207154880 /nfs/dbraw/zinc/15/48/80/207154880.db2.gz NKPDORRIWFGVAS-BUVRLJJBSA-N 0 0 372.859 5.639 50 30 FKEARN C=CCSc1nnc(-c2ccc(OC(C)C)cc2)n1Cc1ccccc1 ZINC000006700687 571104007 /nfs/dbraw/zinc/10/40/07/571104007.db2.gz PNNIWSOIYFVSMO-UHFFFAOYSA-N 0 0 365.502 5.059 50 30 FKEARN CC(C)(C)n1cnc2cc(/N=C/c3ccc(Br)cc3)ccc21 ZINC000006708142 204262489 /nfs/dbraw/zinc/26/24/89/204262489.db2.gz HTITWGRWADXRDM-RGVLZGJSSA-N 0 0 356.267 5.304 50 30 FKEARN CCCCSc1nc(-c2ccc(C)cc2)cc(C(F)(F)F)c1C#N ZINC000006710255 207156346 /nfs/dbraw/zinc/15/63/46/207156346.db2.gz SEWAPOGICCDPLO-UHFFFAOYSA-N 0 0 350.409 5.840 50 30 FKEARN COc1ccc(/C=N/c2ccc3c(c2)ncn3C2CCCCC2)cc1OC ZINC000006720073 204263011 /nfs/dbraw/zinc/26/30/11/204263011.db2.gz OCONUWSWHWZRSC-OEAKJJBVSA-N 0 0 363.461 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/nfs/dbraw/zinc/24/55/24/571245524.db2.gz HFDXUBFYFSKBGM-DEOSSOPVSA-N 0 0 368.480 5.775 50 30 FKEARN C=CCN1C(=O)C2=C(CCCC2)[C@@H]1c1c2ccccc2[nH]c1-c1ccccc1 ZINC000006761179 206709685 /nfs/dbraw/zinc/70/96/85/206709685.db2.gz HFDXUBFYFSKBGM-XMMPIXPASA-N 0 0 368.480 5.775 50 30 FKEARN N#Cc1cnn2c(NC3CCCCCCC3)c(-c3cccc(Cl)c3)[nH]c12 ZINC000006768501 207162531 /nfs/dbraw/zinc/16/25/31/207162531.db2.gz CJNJPKTYJZHVIX-UHFFFAOYSA-N 0 0 367.884 5.379 50 30 FKEARN CCc1ccc(-c2[nH]c3c(C#N)cnn3c2NC2CCCCCCC2)cc1 ZINC000006768511 571245654 /nfs/dbraw/zinc/24/56/54/571245654.db2.gz NVESRZVIXILQHD-UHFFFAOYSA-N 0 0 361.493 5.288 50 30 FKEARN N#Cc1cnn2c(NC3CCCCCCC3)c(-c3ccc(Cl)cc3)[nH]c12 ZINC000006768520 571245656 /nfs/dbraw/zinc/24/56/56/571245656.db2.gz KDFFQTSHBIKKSV-UHFFFAOYSA-N 0 0 367.884 5.379 50 30 FKEARN CCc1ccc(-c2[nH]c3c(C#N)cnn3c2N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1 ZINC000006768740 207163248 /nfs/dbraw/zinc/16/32/48/207163248.db2.gz NDBNHLAQTHWKPI-YZVOILCLSA-N 0 0 361.493 5.000 50 30 FKEARN CCc1ccc(-c2[nH]c3c(C#N)cnn3c2N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000006768742 207162373 /nfs/dbraw/zinc/16/23/73/207162373.db2.gz NDBNHLAQTHWKPI-ZRGWGRIASA-N 0 0 361.493 5.000 50 30 FKEARN C[C@@H]1CCC[C@H](Nc2c(-c3cccc(Cl)c3)nc3c(C#N)c[nH]n32)[C@@H]1C ZINC000006768744 571245719 /nfs/dbraw/zinc/24/57/19/571245719.db2.gz MDTMQUSBOAQWOS-XNJGSVPQSA-N 0 0 367.884 5.091 50 30 FKEARN C[C@@H]1CCC[C@@H](Nc2c(-c3cccc(Cl)c3)nc3c(C#N)c[nH]n32)[C@@H]1C ZINC000006768746 571245697 /nfs/dbraw/zinc/24/56/97/571245697.db2.gz MDTMQUSBOAQWOS-PBFPGSCMSA-N 0 0 367.884 5.091 50 30 FKEARN C[C@@H]1CCC[C@H](Nc2c(-c3ccc(Cl)cc3)nc3c(C#N)c[nH]n32)[C@@H]1C ZINC000006768756 207162710 /nfs/dbraw/zinc/16/27/10/207162710.db2.gz IPIKHBFNSIOSRV-XNJGSVPQSA-N 0 0 367.884 5.091 50 30 FKEARN C[C@@H]1CCC[C@@H](Nc2c(-c3ccc(Cl)cc3)nc3c(C#N)c[nH]n32)[C@@H]1C ZINC000006768758 207162200 /nfs/dbraw/zinc/16/22/00/207162200.db2.gz IPIKHBFNSIOSRV-PBFPGSCMSA-N 0 0 367.884 5.091 50 30 FKEARN CCCCCCOc1ccc(/C=N/c2ccc(OCCCC)cc2)cc1 ZINC000006778118 570653947 /nfs/dbraw/zinc/65/39/47/570653947.db2.gz ZEQLACPGJUEEOJ-LYBHJNIJSA-N 0 0 353.506 6.575 50 30 FKEARN C=CCCCCCCCCc1nnc(SCC(=O)c2ccccc2)[nH]1 ZINC000006780725 518700757 /nfs/dbraw/zinc/70/07/57/518700757.db2.gz VHOJXFHUKFLDFB-UHFFFAOYSA-N 0 0 357.523 5.239 50 30 FKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cccc2ccccc21 ZINC000006782423 570654060 /nfs/dbraw/zinc/65/40/60/570654060.db2.gz WYBAKDKPABIXAL-DEOSSOPVSA-N 0 0 368.480 6.062 50 30 FKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cccc2ccccc21 ZINC000006782430 204269064 /nfs/dbraw/zinc/26/90/64/204269064.db2.gz WYBAKDKPABIXAL-XMMPIXPASA-N 0 0 368.480 6.062 50 30 FKEARN CCCCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(F)cc1 ZINC000006783353 204269390 /nfs/dbraw/zinc/26/93/90/204269390.db2.gz QIHVXQLABZDRRV-UHFFFAOYSA-N 0 0 372.447 5.893 50 30 FKEARN CCCCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(C)cc1 ZINC000006783357 571319610 /nfs/dbraw/zinc/31/96/10/571319610.db2.gz DEPYWSQGTTXFCD-UHFFFAOYSA-N 0 0 368.484 6.062 50 30 FKEARN CCCCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccccc1 ZINC000006783365 204269125 /nfs/dbraw/zinc/26/91/25/204269125.db2.gz FSRMVGCGECPSGS-UHFFFAOYSA-N 0 0 354.457 5.754 50 30 FKEARN CCCc1cc(Nc2ccc(N(C)C)cc2)n2c3ccccc3nc2c1C#N ZINC000006783530 204269470 /nfs/dbraw/zinc/26/94/70/204269470.db2.gz YAICJQZVUILKAP-UHFFFAOYSA-N 0 0 369.472 5.121 50 30 FKEARN C=CCn1c(SCc2c(F)cccc2Cl)nnc1-c1ccccc1 ZINC000006785515 519237662 /nfs/dbraw/zinc/23/76/62/519237662.db2.gz MGYPMZPZMOQRMX-UHFFFAOYSA-N 0 0 359.857 5.216 50 30 FKEARN Cc1ccc(/C=N/c2sccc2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000006788066 571246551 /nfs/dbraw/zinc/24/65/51/571246551.db2.gz VENJCGGQAZYOLF-CIAFOILYSA-N 0 0 354.862 5.713 50 30 FKEARN COc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1COc1ccccc1 ZINC000006788091 523399329 /nfs/dbraw/zinc/39/93/29/523399329.db2.gz UNTTZVCVPFCJCK-GXDHUFHOSA-N 0 0 358.437 5.479 50 30 FKEARN Cc1ccc(NN=Cc2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000006788366 204269965 /nfs/dbraw/zinc/26/99/65/204269965.db2.gz RYFVFKWYZOAELQ-UDWIEESQSA-N 0 0 355.235 5.464 50 30 FKEARN COc1ccc(C2=C(Nc3cc(C)cc(C)c3)c3ccccc3C2=O)cc1 ZINC000006794049 570654489 /nfs/dbraw/zinc/65/44/89/570654489.db2.gz CFWWVGUFSVOQFD-UHFFFAOYSA-N 0 0 355.437 5.489 50 30 FKEARN O=C1c2ccccc2C(Nc2cccc3c2CCCC3)=C1c1ccccc1 ZINC000006794085 210702001 /nfs/dbraw/zinc/70/20/01/210702001.db2.gz COYLTUWQYIWJJL-UHFFFAOYSA-N 0 0 351.449 5.742 50 30 FKEARN C[C@@H]1CCc2c(C#N)c(NC=CC(=O)c3ccc4ccccc4c3)sc2C1 ZINC000006795052 571246871 /nfs/dbraw/zinc/24/68/71/571246871.db2.gz NZZPUJHYIXENNG-JQPIKURYSA-N 0 0 372.493 5.706 50 30 FKEARN COc1ccc(-c2c(NC(=O)c3ccccc3)oc3ccccc3c2=O)cc1 ZINC000006814175 204274063 /nfs/dbraw/zinc/27/40/63/204274063.db2.gz HRSDOJVIXUENHI-UHFFFAOYSA-N 0 0 371.392 5.105 50 30 FKEARN CSc1nc(-c2ccccc2)cc(-c2cccc3ccccc32)c1C#N ZINC000006821513 219775742 /nfs/dbraw/zinc/77/57/42/219775742.db2.gz WQKZCZIMGMNTDU-UHFFFAOYSA-N 0 0 352.462 6.162 50 30 FKEARN COc1ccc(C2=C(Nc3ccc(Cl)cc3)c3ccccc3C2=O)cc1 ZINC000006824293 210707488 /nfs/dbraw/zinc/70/74/88/210707488.db2.gz SKAPKEUGMCCLEH-UHFFFAOYSA-N 0 0 361.828 5.525 50 30 FKEARN COc1ccc(C2=C(Nc3ccc(C)c(F)c3)c3ccccc3C2=O)cc1 ZINC000006824656 219775611 /nfs/dbraw/zinc/77/56/11/219775611.db2.gz NMULGGWGVQDVQY-UHFFFAOYSA-N 0 0 359.400 5.319 50 30 FKEARN CC(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O ZINC000006826776 571248460 /nfs/dbraw/zinc/24/84/60/571248460.db2.gz YGPSWYYYDMUIAO-NDENLUEZSA-N 0 0 364.441 5.162 50 30 FKEARN Fc1c(F)c(F)c(Sc2c(F)c(F)c(F)c(F)c2F)c(F)c1F ZINC000006827669 207170624 /nfs/dbraw/zinc/17/06/24/207170624.db2.gz ZOUZMRQINDFFOK-UHFFFAOYSA-N 0 0 366.179 5.229 50 30 FKEARN Cn1c2ccccc2c2cc(C=NNc3cccc(C(F)(F)F)c3)ccc21 ZINC000006827969 204274853 /nfs/dbraw/zinc/27/48/53/204274853.db2.gz PNNXDZUMEJFOHC-DHRITJCHSA-N 0 0 367.374 5.796 50 30 FKEARN CCCCCCCCCCCCCCc1sc(N)nc1-c1ccccc1 ZINC000006830023 207170517 /nfs/dbraw/zinc/17/05/17/207170517.db2.gz WYDPIVMKULHMBF-UHFFFAOYSA-N 0 0 372.622 7.636 50 30 FKEARN CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(N(C)C)cc1 ZINC000006830259 204275321 /nfs/dbraw/zinc/27/53/21/204275321.db2.gz DINKLZDOZNFBFV-UHFFFAOYSA-N 0 0 369.472 5.040 50 30 FKEARN COc1cc(C#N)ccc1Oc1nnc(-c2ccc(C)cc2)c2ccccc21 ZINC000006834472 204274582 /nfs/dbraw/zinc/27/45/82/204274582.db2.gz NJUSQQMIRXATAH-UHFFFAOYSA-N 0 0 367.408 5.278 50 30 FKEARN Cc1ccc(Sc2ccc(NC(=O)c3ccc(C#N)cc3)cc2)c(C)c1 ZINC000006834772 206206060 /nfs/dbraw/zinc/20/60/60/206206060.db2.gz HFZQFNKAQBSXFX-UHFFFAOYSA-N 0 0 358.466 5.579 50 30 FKEARN FC(F)=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000006843844 570655268 /nfs/dbraw/zinc/65/52/68/570655268.db2.gz CDAVUOSPHHTNBU-UHFFFAOYSA-N 0 0 350.049 5.168 50 30 FKEARN CCOc1cc(C)c(/C=N/N(c2ccccc2)c2ccccc2)cc1C(C)C ZINC000006844643 207170896 /nfs/dbraw/zinc/17/08/96/207170896.db2.gz JOYFTJXMJIIEPY-NLRVBDNBSA-N 0 0 372.512 6.689 50 30 FKEARN CCOc1ccc2nc(Cl)c(/C=C/C(=O)c3ccc(C)cc3)cc2c1 ZINC000006846853 568078397 /nfs/dbraw/zinc/07/83/97/568078397.db2.gz HTKHCHHHGCCYBK-DHZHZOJOSA-N 0 0 351.833 5.491 50 30 FKEARN Cc1c(C(=O)c2cccc(Cl)c2Cl)c2ccccn2c1CCC#N ZINC000006848413 219777645 /nfs/dbraw/zinc/77/76/45/219777645.db2.gz MXNUXURBTKYBIL-UHFFFAOYSA-N 0 0 357.240 5.242 50 30 FKEARN COc1cccc(C=C2SC(=Nc3ccc(Cl)cc3)NC2=O)c1OC ZINC000006848467 207171282 /nfs/dbraw/zinc/17/12/82/207171282.db2.gz WBYVDKIRNVGSMK-GDNBJRDFSA-N 0 0 374.849 5.089 50 30 FKEARN N#Cc1c(Cl)cccc1Oc1ccc(-c2nc3ccccc3s2)cc1 ZINC000006850730 210709858 /nfs/dbraw/zinc/70/98/58/210709858.db2.gz VLBAGWKMEYNPDT-UHFFFAOYSA-N 0 0 362.841 6.281 50 30 FKEARN C=CCn1c(C)cc(-c2csc(NCc3ccccc3OC)n2)c1C ZINC000006851933 571250550 /nfs/dbraw/zinc/25/05/50/571250550.db2.gz CWYXWPKPPZRXHK-UHFFFAOYSA-N 0 0 353.491 5.035 50 30 FKEARN O=C(/C=C/c1cc(O)ccc1Br)c1ccc(Cl)cc1Cl ZINC000006861872 207173056 /nfs/dbraw/zinc/17/30/56/207173056.db2.gz CBTIWLQKTSAFRJ-LZCJLJQNSA-N 0 0 372.045 5.358 50 30 FKEARN O=C1/C(=C/c2ccccc2Cl)CCCC[C@H]1Cc1ccccc1Cl ZINC000006863773 204276868 /nfs/dbraw/zinc/27/68/68/204276868.db2.gz QQXXIDMHGJQNDA-KJCUYJGMSA-N 0 0 359.296 6.379 50 30 FKEARN N#Cc1ccc(NC(=O)/C(=C\c2ccccc2)c2ccccc2)cc1Cl ZINC000006863894 204277615 /nfs/dbraw/zinc/27/76/15/204277615.db2.gz BRTGYTKBAIJEDK-MOSHPQCFSA-N 0 0 358.828 5.391 50 30 FKEARN Clc1ccccc1NN=Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000006864554 570655648 /nfs/dbraw/zinc/65/56/48/570655648.db2.gz VDWCWBCTWWBPND-BUVRLJJBSA-N 0 0 372.859 5.639 50 30 FKEARN N#Cc1ccc(NC(=O)c2oc3ccccc3c2COc2ccccc2)cc1 ZINC000006880848 571252622 /nfs/dbraw/zinc/25/26/22/571252622.db2.gz WMGKYLYZEOWCII-UHFFFAOYSA-N 0 0 368.392 5.136 50 30 FKEARN N#Cc1ccc(-c2ccc(OCc3ncc(-c4ccccc4)o3)cc2)cc1 ZINC000006881605 571252777 /nfs/dbraw/zinc/25/27/77/571252777.db2.gz BEEUAVQHHJYJIP-UHFFFAOYSA-N 0 0 352.393 5.459 50 30 FKEARN O=C(/C=C/c1cccc(Cl)c1Cl)c1ccc2c(c1)-c1ccccc1C2 ZINC000006890420 570682420 /nfs/dbraw/zinc/68/24/20/570682420.db2.gz WCVJUCPMEVKUSC-ZHACJKMWSA-N 0 0 365.259 6.461 50 30 FKEARN COc1ccc(Br)cc1/C=C/C(=O)c1ccccc1Cl ZINC000006897377 204280370 /nfs/dbraw/zinc/28/03/70/204280370.db2.gz NAXFWBNWKZFDBP-SOFGYWHQSA-N 0 0 351.627 5.007 50 30 FKEARN N#Cc1cc2c(nc1SCc1ccccc1C(F)(F)F)CCCCC2 ZINC000006898719 207176022 /nfs/dbraw/zinc/17/60/22/207176022.db2.gz XGOAWMJEYFLFRF-UHFFFAOYSA-N 0 0 362.420 5.533 50 30 FKEARN C=C(Cl)CSC1=N/C(=C/c2ccccc2)C(=O)N1c1ccc(F)cc1 ZINC000006904799 571104019 /nfs/dbraw/zinc/10/40/19/571104019.db2.gz JSJQEQYFTCCEHV-GZTJUZNOSA-N 0 0 372.852 5.055 50 30 FKEARN Cc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3nc4ccccc4n32)cc1 ZINC000006908807 207177425 /nfs/dbraw/zinc/17/74/25/207177425.db2.gz AJUAYHUZWKKGOC-OAQYLSRUSA-N 0 0 357.457 5.003 50 30 FKEARN Cc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3nc4ccccc4n32)cc1 ZINC000006908818 207177584 /nfs/dbraw/zinc/17/75/84/207177584.db2.gz AJUAYHUZWKKGOC-NRFANRHFSA-N 0 0 357.457 5.003 50 30 FKEARN C=CCn1c(SCc2cccc3ccccc32)nnc1-c1ccoc1C ZINC000006911137 519243296 /nfs/dbraw/zinc/24/32/96/519243296.db2.gz CYRXYEKTUHCHIR-UHFFFAOYSA-N 0 0 361.470 5.478 50 30 FKEARN C=CCn1c(SCc2c(F)cccc2Cl)nnc1-c1ccoc1C ZINC000006911877 519237230 /nfs/dbraw/zinc/23/72/30/519237230.db2.gz KYRDORQRXVBYEH-UHFFFAOYSA-N 0 0 363.845 5.117 50 30 FKEARN CCCCCCCCCCCCSCCCCCCCCCCCC ZINC000006920412 570656899 /nfs/dbraw/zinc/65/68/99/570656899.db2.gz UPYPTOCXMIWHSG-UHFFFAOYSA-N 0 0 370.731 9.561 50 30 FKEARN CCCCCCCCCCCCCCCCCCCCCCCCC ZINC000006920418 560206640 /nfs/dbraw/zinc/20/66/40/560206640.db2.gz YKNWIILGEFFOPE-UHFFFAOYSA-N 0 0 352.691 9.999 50 30 biogenic,in-vitro FKEARN CCCCCCCCCCCCCCCCCCCCCCCCCC ZINC000006920419 207178871 /nfs/dbraw/zinc/17/88/71/207178871.db2.gz HMSWAIKSFDFLKN-UHFFFAOYSA-N 0 0 366.718 10.389 50 30 biogenic,in-vitro FKEARN O=C1c2cc(Cl)ccc2SC/C1=C\c1ccc(Cl)cc1Cl ZINC000006925727 570657285 /nfs/dbraw/zinc/65/72/85/570657285.db2.gz LVWLCGIMPXUIMY-BJMVGYQFSA-N 0 0 355.673 6.019 50 30 FKEARN O=C(/C=C/c1cc(Br)cs1)c1cccc(Br)c1 ZINC000006925890 571254751 /nfs/dbraw/zinc/25/47/51/571254751.db2.gz UCKBCIJGDJLVHT-SNAWJCMRSA-N 0 0 372.081 5.169 50 30 FKEARN O=C1NC(=Nc2cc(Cl)cc(Cl)c2)SC1=Cc1cccc(F)c1 ZINC000006926035 571254720 /nfs/dbraw/zinc/25/47/20/571254720.db2.gz RAWMUXOJTIBEQL-RZNTYIFUSA-N 0 0 367.232 5.864 50 30 FKEARN O=C(/C=C/c1cc(Br)cs1)c1cccc(OC(F)F)c1 ZINC000006926137 571254804 /nfs/dbraw/zinc/25/48/04/571254804.db2.gz SIIQNPMFXJEPRJ-SNAWJCMRSA-N 0 0 359.191 5.008 50 30 FKEARN O=C(/C=C/c1cc(Br)cs1)c1ccc(Br)cc1 ZINC000006926271 204281987 /nfs/dbraw/zinc/28/19/87/204281987.db2.gz LHDSRRZFJIGJAR-AATRIKPKSA-N 0 0 372.081 5.169 50 30 FKEARN O=C(Nc1ccc(F)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000006926412 204282475 /nfs/dbraw/zinc/28/24/75/204282475.db2.gz BBTZUYWNNHBHRM-UHFFFAOYSA-N 0 0 366.236 5.507 50 30 FKEARN O=C1NC(=Nc2ccc(Br)cc2)SC1=Cc1cccs1 ZINC000006926684 207179102 /nfs/dbraw/zinc/17/91/02/207179102.db2.gz MUASTVOBZBXUID-WQLSENKSSA-N 0 0 365.277 5.243 50 30 FKEARN Fc1c(F)c(C(F)(F)F)c(F)c(F)c1N=NC=CCc1ccccc1 ZINC000006927223 570657248 /nfs/dbraw/zinc/65/72/48/570657248.db2.gz OEZXLZVHZKIHDS-REGBWQCZSA-N 0 0 362.248 5.373 50 30 FKEARN Fc1c(F)c(F)c(N=NCc2ccc(-c3ccccc3)o2)c(F)c1F ZINC000006927872 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CC1C2=C(CCCC2=O)N(c2cccc3ccccc32)C2=C1C(=O)CCC2 ZINC000006996039 132259225 /nfs/dbraw/zinc/25/92/25/132259225.db2.gz XCOYLPLYRAHSNO-UHFFFAOYSA-N 0 0 357.453 5.310 50 30 FKEARN N#Cc1c(/N=C(\Cc2cccs2)C(F)(F)F)sc2c1CCCC2 ZINC000006996334 207182639 /nfs/dbraw/zinc/18/26/39/207182639.db2.gz YGNQPUQFINJYRH-KGENOOAVSA-N 0 0 354.422 5.438 50 30 FKEARN CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(C)c(C)c1 ZINC000006998002 206206500 /nfs/dbraw/zinc/20/65/00/206206500.db2.gz BWQRTRHZKGWANF-UHFFFAOYSA-N 0 0 354.457 5.590 50 30 FKEARN Brc1cccc(/C=N/c2ccc(NC3CCCCC3)cc2)c1 ZINC000006998922 204286316 /nfs/dbraw/zinc/28/63/16/204286316.db2.gz BHDNAVYPSKUUFN-KGENOOAVSA-N 0 0 357.295 5.944 50 30 FKEARN C=CC/N=C(\SCC=C)N(Cc1ccccc1)Cc1ccc(F)cc1 ZINC000007036629 207184835 /nfs/dbraw/zinc/18/48/35/207184835.db2.gz HGXMCNXTKTWVDY-LNVKXUELSA-N 0 0 354.494 5.289 50 30 FKEARN CC(C)(C)c1cc(/C=N/C23CC4CC(CC(C4)C2)C3)c(O)c(C(C)(C)C)c1 ZINC000007037057 210725911 /nfs/dbraw/zinc/72/59/11/210725911.db2.gz 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C/C=C/Oc1ccc(C(=O)/C(=C\c2ccco2)c2nc3ccccc3o2)cc1 ZINC000007616153 571284253 /nfs/dbraw/zinc/28/42/53/571284253.db2.gz ULBKJIDHYMFRHR-RIHSKRERSA-N 0 0 371.392 5.757 50 30 FKEARN CCCCNC(=S)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000007641787 571285195 /nfs/dbraw/zinc/28/51/95/571285195.db2.gz VBYGZBLHYUCTMZ-KRWDZBQOSA-N 0 0 357.910 5.082 50 30 FKEARN CCCCNC(=S)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000007641795 204302006 /nfs/dbraw/zinc/30/20/06/204302006.db2.gz VBYGZBLHYUCTMZ-QGZVFWFLSA-N 0 0 357.910 5.082 50 30 FKEARN N#Cc1ccccc1CSc1nnc(-c2ccc(F)cc2)c2ccccc21 ZINC000007653659 206212308 /nfs/dbraw/zinc/21/23/08/206212308.db2.gz RYPZBKOFCCGERZ-UHFFFAOYSA-N 0 0 371.440 5.600 50 30 FKEARN C=CCn1c(S[C@@H](C)c2ccccc2Cl)nnc1-c1ccncc1 ZINC000007719501 571286491 /nfs/dbraw/zinc/28/64/91/571286491.db2.gz OYGKBSGPYNXEDX-ZDUSSCGKSA-N 0 0 356.882 5.033 50 30 FKEARN C=CCn1c(S[C@H](C)c2ccccc2Cl)nnc1-c1ccncc1 ZINC000007719502 571286465 /nfs/dbraw/zinc/28/64/65/571286465.db2.gz 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N#Cc1ccccc1COC(=O)/C(=C/c1ccc(F)cc1)c1cccs1 ZINC000007783002 571319990 /nfs/dbraw/zinc/31/99/90/571319990.db2.gz HTFDJPHBTQIPQY-XDHOZWIPSA-N 0 0 363.413 5.043 50 30 FKEARN N#Cc1ccc(-c2ccc(OC(=O)c3ccc4c(c3)CCCC4)cc2)cc1 ZINC000007813867 207208151 /nfs/dbraw/zinc/20/81/51/207208151.db2.gz OUGLCODDNMDNOU-UHFFFAOYSA-N 0 0 353.421 5.323 50 30 FKEARN N#Cc1ccc(-c2ccc(OC(=O)c3cccc(-n4cccc4)c3)cc2)cc1 ZINC000007814797 207209327 /nfs/dbraw/zinc/20/93/27/207209327.db2.gz LZMRSCKGXKSIHP-UHFFFAOYSA-N 0 0 364.404 5.235 50 30 FKEARN N#Cc1ccc(O[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1 ZINC000007890290 571290709 /nfs/dbraw/zinc/29/07/09/571290709.db2.gz QCCYXCUPJQMEIU-QHCPKHFHSA-N 0 0 352.393 5.043 50 30 FKEARN N#Cc1ccc(O[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1 ZINC000007890293 204309777 /nfs/dbraw/zinc/30/97/77/204309777.db2.gz QCCYXCUPJQMEIU-HSZRJFAPSA-N 0 0 352.393 5.043 50 30 FKEARN O=C(Nc1cccc(F)c1)c1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000007917785 571293068 /nfs/dbraw/zinc/29/30/68/571293068.db2.gz 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206214260 /nfs/dbraw/zinc/21/42/60/206214260.db2.gz SKQRNBGCETYEKG-CCEZHUSRSA-N 0 0 369.468 5.242 50 30 FKEARN C=CCN(Cc1ccc(Cl)s1)C(=O)CCc1c[nH]c2ccccc12 ZINC000008073143 518779865 /nfs/dbraw/zinc/77/98/65/518779865.db2.gz ZEJYJQHFQCLDQM-UHFFFAOYSA-N 0 0 358.894 5.030 50 30 FKEARN CCCn1c(SCc2ccccc2C#N)nnc1-c1ccc(Cl)cc1 ZINC000008073557 206212552 /nfs/dbraw/zinc/21/25/52/206212552.db2.gz NUSDTSYDDIFIFX-UHFFFAOYSA-N 0 0 368.893 5.172 50 30 FKEARN C=CCOc1ccc(NC(=O)N2c3ccccc3Sc3ccccc32)cc1 ZINC000008104478 132373351 /nfs/dbraw/zinc/37/33/51/132373351.db2.gz MYZMPOHWMGTLGX-UHFFFAOYSA-N 0 0 374.465 6.086 50 30 FKEARN C=CCn1c(S[C@@H](C)c2ccc(F)cc2)nnc1-c1ccccc1OC ZINC000008132736 519253217 /nfs/dbraw/zinc/25/32/17/519253217.db2.gz QFLKSKMDHHMUOK-AWEZNQCLSA-N 0 0 369.465 5.132 50 30 FKEARN C=CCn1c(S[C@H](C)c2ccc(F)cc2)nnc1-c1ccccc1OC ZINC000008132737 519258122 /nfs/dbraw/zinc/25/81/22/519258122.db2.gz QFLKSKMDHHMUOK-CQSZACIVSA-N 0 0 369.465 5.132 50 30 FKEARN Clc1ccccc1-c1nn(-c2ccccc2)cc1/C=N\Cc1ccccc1 ZINC000008156629 526986302 /nfs/dbraw/zinc/98/63/02/526986302.db2.gz AWXKVCQOZQCBNC-XYGWBWBKSA-N 0 0 371.871 5.812 50 30 FKEARN N#CCc1ccc(N[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1 ZINC000008194604 526484532 /nfs/dbraw/zinc/48/45/32/526484532.db2.gz RLXKOZOMHIABJG-QHCPKHFHSA-N 0 0 365.436 5.270 50 30 FKEARN N#CCc1ccc(N[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1 ZINC000008194606 526484139 /nfs/dbraw/zinc/48/41/39/526484139.db2.gz RLXKOZOMHIABJG-HSZRJFAPSA-N 0 0 365.436 5.270 50 30 FKEARN CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)CO ZINC000008214395 570678448 /nfs/dbraw/zinc/67/84/48/570678448.db2.gz VBICKXHEKHSIBG-HXUWFJFHSA-N 0 0 358.563 5.144 50 30 endogenous,in-man FKEARN C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccc(C)cc3C)c12 ZINC000008229820 519265586 /nfs/dbraw/zinc/26/55/86/519265586.db2.gz WMXDKJCOMANJJT-OUKQBFOZSA-N 0 0 369.468 5.296 50 30 FKEARN C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3cc(C)ccc3C)c12 ZINC000008231547 519266189 /nfs/dbraw/zinc/26/61/89/519266189.db2.gz YKGNMBWRWKMZTE-OUKQBFOZSA-N 0 0 369.468 5.296 50 30 FKEARN CCCCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-] ZINC000008234389 560207914 /nfs/dbraw/zinc/20/79/14/560207914.db2.gz BHATUINFZWUDIX-UHFFFAOYSA-O 0 0 364.616 5.042 50 30 in-vitro FKEARN CC(C)(C)c1ccc(/C=C2/C(=O)c3ccccc3O[C@H]2c2ccccc2)cc1 ZINC000008264387 570678987 /nfs/dbraw/zinc/67/89/87/570678987.db2.gz ZILIYULDJAAMCQ-BDPRQDHOSA-N 0 0 368.476 6.384 50 30 FKEARN CC(C)(C)c1ccc(/C=C2/C(=O)c3ccccc3O[C@@H]2c2ccccc2)cc1 ZINC000008264395 570679438 /nfs/dbraw/zinc/67/94/38/570679438.db2.gz ZILIYULDJAAMCQ-YPKVGQCMSA-N 0 0 368.476 6.384 50 30 FKEARN Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)/C=C/c1ccco1 ZINC000008272692 209471781 /nfs/dbraw/zinc/47/17/81/209471781.db2.gz AQVWWMAXRXNGIO-ZRDIBKRKSA-N 0 0 373.839 6.353 50 30 FKEARN C=CCc1cc(OC)ccc1OCC(=O)Nc1ccccc1-c1ccccc1 ZINC000008273231 519132546 /nfs/dbraw/zinc/13/25/46/519132546.db2.gz ABISZHXMSPAYRH-UHFFFAOYSA-N 0 0 373.452 5.108 50 30 FKEARN COc1ccc(C(=O)CC(=CC(=O)c2ccc(C)cc2)c2ccccc2)cc1 ZINC000008302494 523550359 /nfs/dbraw/zinc/55/03/59/523550359.db2.gz MZYJCYWQYOQKBH-CJLVFECKSA-N 0 0 370.448 5.543 50 30 FKEARN FC(F)(F)Oc1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1 ZINC000008306423 527675608 /nfs/dbraw/zinc/67/56/08/527675608.db2.gz TWSTYIWUXPBZKT-AFUMVMLFSA-N 0 0 371.358 5.915 50 30 FKEARN CC(=O)Nc1ccc(/C=C/C(=O)c2ccccc2OCc2ccccc2)cc1 ZINC000008321425 519709255 /nfs/dbraw/zinc/70/92/55/519709255.db2.gz BURDXFUVZPDJCD-DTQAZKPQSA-N 0 0 371.436 5.120 50 30 FKEARN COc1cc(C(=O)/C=C/c2csc(-c3ccc(Cl)cc3)n2)ccc1O ZINC000008322793 522050267 /nfs/dbraw/zinc/05/02/67/522050267.db2.gz UBVKAYGBYGLRNC-VQHVLOKHSA-N 0 0 371.845 5.074 50 30 FKEARN CCOc1ccc(/C=C/c2nc(C#N)c(NCc3ccc(C)cc3)o2)cc1 ZINC000008323922 207228790 /nfs/dbraw/zinc/22/87/90/207228790.db2.gz CJWDPTTVYOWPAO-JLHYYAGUSA-N 0 0 359.429 5.036 50 30 FKEARN CCOc1ccc(/C=C/c2nc(C#N)c(N[C@@H](C)c3ccccc3)o2)cc1 ZINC000008323931 204326669 /nfs/dbraw/zinc/32/66/69/204326669.db2.gz VXJANQWVQHNBGT-UKYUDJEDSA-N 0 0 359.429 5.288 50 30 FKEARN CCOc1ccc(/C=C/c2nc(C#N)c(N[C@H](C)c3ccccc3)o2)cc1 ZINC000008323933 571040076 /nfs/dbraw/zinc/04/00/76/571040076.db2.gz VXJANQWVQHNBGT-WSYSLRRZSA-N 0 0 359.429 5.288 50 30 FKEARN CCCCCCCCCCC[C@@H](C)NC(=O)c1cc(Cl)ccc1OC ZINC000008383099 520018332 /nfs/dbraw/zinc/01/83/32/520018332.db2.gz OVGIXJJIZDQMIO-QGZVFWFLSA-N 0 0 367.961 6.388 50 30 FKEARN CCCCCCCCCCC[C@H](C)NC(=O)c1cc(Cl)ccc1OC ZINC000008383100 520018145 /nfs/dbraw/zinc/01/81/45/520018145.db2.gz OVGIXJJIZDQMIO-KRWDZBQOSA-N 0 0 367.961 6.388 50 30 FKEARN CCCCCCCC1CCC(COS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000008383698 519971251 /nfs/dbraw/zinc/97/12/51/519971251.db2.gz SPJBPJFXAMCWTN-UHFFFAOYSA-N 0 0 366.567 5.867 50 30 FKEARN CCCCCCCC(=O)Oc1ccc(/C=C/C(=O)c2ccccc2)cc1 ZINC000008383705 519966183 /nfs/dbraw/zinc/96/61/83/519966183.db2.gz JGYOERFSWKBFJH-OBGWFSINSA-N 0 0 350.458 5.849 50 30 FKEARN CCCCCCCCCCCCSCC(=O)Nc1cc(C)cc(C)c1 ZINC000008383724 520013881 /nfs/dbraw/zinc/01/38/81/520013881.db2.gz KEOMTEOSHNPHIJ-UHFFFAOYSA-N 0 0 363.611 6.896 50 30 FKEARN C(#Cc1ccccc1)/C=C/c1ccc2ccc3ccc4ccccc4c3c2c1 ZINC000008384035 203850018 /nfs/dbraw/zinc/85/00/18/203850018.db2.gz CDJXACZVLFPPJG-VZUCSPMQSA-N 0 0 354.452 7.211 50 30 FKEARN Cc1cc(C)cc(C#C/C=C/c2ccc3ccc4cc(C)cc(C)c4c3c2)c1 ZINC000008384039 571110617 /nfs/dbraw/zinc/11/06/17/571110617.db2.gz WWRZRZFDSXYDEW-FNORWQNLSA-N 0 0 360.500 7.292 50 30 FKEARN CCCCCCCCCCCCCC(=O)c1ccc(Br)cc1 ZINC000008384735 519988713 /nfs/dbraw/zinc/98/87/13/519988713.db2.gz ODPMGSFGCSCSLO-UHFFFAOYSA-N 0 0 367.371 7.333 50 30 FKEARN CCCCCCCOc1ccccc1C=NN=c1[nH]c2ccccc2s1 ZINC000008385614 520066031 /nfs/dbraw/zinc/06/60/31/520066031.db2.gz HBRKNQPFZVNCNL-CJLVFECKSA-N 0 0 367.518 6.092 50 30 FKEARN CCCCCCCCCCCCCCCCNC(=O)c1ccccc1F ZINC000008385845 519999888 /nfs/dbraw/zinc/99/98/88/519999888.db2.gz HDVSUOLVDGFSCX-UHFFFAOYSA-N 0 0 363.561 7.037 50 30 FKEARN CCCCCCCCCCOc1ccc(NC(=O)NCc2ccco2)cc1 ZINC000008386263 520024242 /nfs/dbraw/zinc/02/42/42/520024242.db2.gz NSWWDKMDOULHIJ-UHFFFAOYSA-N 0 0 372.509 6.121 50 30 FKEARN CCCCCCCCCCCCNC(=O)C(=O)Nc1ccccc1CC ZINC000008387002 210785938 /nfs/dbraw/zinc/78/59/38/210785938.db2.gz PREJLZBYODHGDX-UHFFFAOYSA-N 0 0 360.542 5.225 50 30 FKEARN C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)c1ccccc1 ZINC000008391916 519189964 /nfs/dbraw/zinc/18/99/64/519189964.db2.gz XHRIUYUXMAIVKJ-HNNXBMFYSA-N 0 0 369.465 5.036 50 30 FKEARN C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)c1ccccc1 ZINC000008391919 519190905 /nfs/dbraw/zinc/19/09/05/519190905.db2.gz XHRIUYUXMAIVKJ-OAHLLOKOSA-N 0 0 369.465 5.036 50 30 FKEARN N#CCCCOC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000008392393 526445870 /nfs/dbraw/zinc/44/58/70/526445870.db2.gz WKTUEPKTZLPKSR-UHFFFAOYSA-N 0 0 350.805 5.016 50 30 FKEARN CCCCCCCCCCOc1ccc(C(=O)Nc2cccnc2)cc1 ZINC000008397202 207232186 /nfs/dbraw/zinc/23/21/86/207232186.db2.gz CGTJHZBYOJWHKY-UHFFFAOYSA-N 0 0 354.494 5.853 50 30 FKEARN CCCCCCCCNC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000008397268 520032736 /nfs/dbraw/zinc/03/27/36/520032736.db2.gz QIZBBWYPSVHWDD-UHFFFAOYSA-N 0 0 360.325 5.629 50 30 FKEARN CCCCCCCCCCCC(=O)Nc1c2c(nc3c1CCCC3)CCC2 ZINC000008397398 519982148 /nfs/dbraw/zinc/98/21/48/519982148.db2.gz KIKWROWJMGIRHU-UHFFFAOYSA-N 0 0 370.581 6.309 50 30 FKEARN CCCCCCCCCCOc1ccc(C(=O)NCc2ccco2)cc1 ZINC000008397604 520021571 /nfs/dbraw/zinc/02/15/71/520021571.db2.gz ROEXWPJKVJRJAS-UHFFFAOYSA-N 0 0 357.494 5.729 50 30 FKEARN CCCCCCCCCCC(=O)Nc1c2c(nc3c1CCCC3)CCC2 ZINC000008398138 519978992 /nfs/dbraw/zinc/97/89/92/519978992.db2.gz SZXWZXKUAVEZDA-UHFFFAOYSA-N 0 0 356.554 5.918 50 30 FKEARN CCCCCCCCCCCC[C@H]1OC(=O)c2c1cc(OC)cc2OC ZINC000008399067 520014201 /nfs/dbraw/zinc/01/42/01/520014201.db2.gz OADUPWXLPAKTBT-LJQANCHMSA-N 0 0 362.510 6.226 50 30 FKEARN CCCCCCCCCCCC[C@@H]1OC(=O)c2c1cc(OC)cc2OC ZINC000008399070 520013232 /nfs/dbraw/zinc/01/32/32/520013232.db2.gz OADUPWXLPAKTBT-IBGZPJMESA-N 0 0 362.510 6.226 50 30 FKEARN CCCCCCCCOc1ccc(/C=N/c2nc3ccccc3n2C)cc1 ZINC000008399209 204329881 /nfs/dbraw/zinc/32/98/81/204329881.db2.gz FBRJKYDFCPQWSV-HKOYGPOVSA-N 0 0 363.505 6.063 50 30 FKEARN CCCCCCCCCCCCNc1nc(CCC)nc2ccccc21 ZINC000008416993 570681638 /nfs/dbraw/zinc/68/16/38/570681638.db2.gz HTTOLRAIUKHRGW-UHFFFAOYSA-N 0 0 355.570 6.915 50 30 FKEARN CCCCCCCOc1ccc(-c2nc(-c3ccccc3Cl)no2)cc1 ZINC000008424932 570681650 /nfs/dbraw/zinc/68/16/50/570681650.db2.gz YSHOKGQHDTXIPX-UHFFFAOYSA-N 0 0 370.880 6.406 50 30 FKEARN CCCCCCCCCCCCCCCC(=O)n1cnc2ccccc21 ZINC000008425650 519989674 /nfs/dbraw/zinc/98/96/74/519989674.db2.gz NIJXEQQKJDHXMN-UHFFFAOYSA-N 0 0 356.554 7.158 50 30 FKEARN CCCCCCCCCCCCCCCCCC(=O)NCc1ccccn1 ZINC000008425654 519992264 /nfs/dbraw/zinc/99/22/64/519992264.db2.gz STUIDIMQADARQF-UHFFFAOYSA-N 0 0 374.613 6.959 50 30 FKEARN CCCCCCCCCCCCNCn1c2ccc(Cl)cc2oc1=O ZINC000008427100 520009386 /nfs/dbraw/zinc/00/93/86/520009386.db2.gz CAIJTFOMPJUHNS-UHFFFAOYSA-N 0 0 366.933 5.716 50 30 FKEARN CCCCCCCCCC(=O)Nc1sc2c(c1C(N)=O)CCCCC2 ZINC000008431919 519980052 /nfs/dbraw/zinc/98/00/52/519980052.db2.gz BYDRHGXHAZYIMX-UHFFFAOYSA-N 0 0 364.555 5.195 50 30 FKEARN CCCCCCCCCCCCC(=O)Nc1c(O)c2ccccc2[nH]c1=O ZINC000008435462 519985294 /nfs/dbraw/zinc/98/52/94/519985294.db2.gz UBJXUDIKVWCKQW-UHFFFAOYSA-N 0 0 372.509 5.483 50 30 FKEARN CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC ZINC000008437777 520061143 /nfs/dbraw/zinc/06/11/43/520061143.db2.gz JQCXWCOOWVGKMT-UHFFFAOYSA-N 0 0 362.510 5.941 50 30 in-vitro FKEARN CCCCCCCCCCCCCCCCCCn1cnc2ccccc21 ZINC000008440024 519997064 /nfs/dbraw/zinc/99/70/64/519997064.db2.gz JDJHCRCZAHZARW-UHFFFAOYSA-N 0 0 370.625 8.298 50 30 FKEARN CCCCCCCCNc1cc(CCC)c(C#N)c2nc3ccccc3n21 ZINC000008440958 204331194 /nfs/dbraw/zinc/33/11/94/204331194.db2.gz QORRPMMQZNJJBM-UHFFFAOYSA-N 0 0 362.521 6.084 50 30 FKEARN CCCCCCC[C@@H](CSCc1ccc(Cl)cc1)n1ccnc1 ZINC000008442123 571047094 /nfs/dbraw/zinc/04/70/94/571047094.db2.gz MFRRFZCIJMYFPQ-IBGZPJMESA-N 0 0 350.959 6.372 50 30 FKEARN CCCCCCC[C@H](CSCc1ccc(Cl)cc1)n1ccnc1 ZINC000008442124 571047234 /nfs/dbraw/zinc/04/72/34/571047234.db2.gz MFRRFZCIJMYFPQ-LJQANCHMSA-N 0 0 350.959 6.372 50 30 FKEARN CCCCCCCCCCCC[S@@](=O)[C@@H]1CCCC[C@@H]1OC(C)=O ZINC000008442541 207233877 /nfs/dbraw/zinc/23/38/77/207233877.db2.gz UIXJKRQTHMCKBN-ROKPMTFOSA-N 0 0 358.588 5.530 50 30 FKEARN CCCCCCCCCCCC[S@](=O)[C@@H]1CCCC[C@@H]1OC(C)=O ZINC000008442542 570682061 /nfs/dbraw/zinc/68/20/61/570682061.db2.gz UIXJKRQTHMCKBN-DCLXLUIPSA-N 0 0 358.588 5.530 50 30 FKEARN CCCCCCCCCCCC[S@@](=O)[C@H]1CCCC[C@@H]1OC(C)=O ZINC000008442543 520016278 /nfs/dbraw/zinc/01/62/78/520016278.db2.gz UIXJKRQTHMCKBN-SKPFHBQLSA-N 0 0 358.588 5.530 50 30 FKEARN CCCCCCCCCCCC[S@](=O)[C@H]1CCCC[C@@H]1OC(C)=O ZINC000008442544 520016060 /nfs/dbraw/zinc/01/60/60/520016060.db2.gz UIXJKRQTHMCKBN-MZLICYQSSA-N 0 0 358.588 5.530 50 30 FKEARN CCCCCCCC(=O)N1C[C@H](C)N(C(=O)CCCCCCC)C[C@@H]1C ZINC000008443544 570681963 /nfs/dbraw/zinc/68/19/63/570681963.db2.gz QEDNPVHGYVVBRB-PMACEKPBSA-N 0 0 366.590 5.155 50 30 FKEARN CCCCCCCC(=O)N1C[C@H](C)N(C(=O)CCCCCCC)C[C@H]1C ZINC000008443546 570682049 /nfs/dbraw/zinc/68/20/49/570682049.db2.gz QEDNPVHGYVVBRB-BGYRXZFFSA-N 0 0 366.590 5.155 50 30 FKEARN CCCCCCCC(=O)N1C[C@@H](C)N(C(=O)CCCCCCC)C[C@H]1C ZINC000008443548 207234240 /nfs/dbraw/zinc/23/42/40/207234240.db2.gz QEDNPVHGYVVBRB-WOJBJXKFSA-N 0 0 366.590 5.155 50 30 FKEARN CCCCCCCCCCC(=O)Nc1nc(-c2ccc(CC)cc2)cs1 ZINC000008443559 519980275 /nfs/dbraw/zinc/98/02/75/519980275.db2.gz LBXBOQOVOACSCZ-UHFFFAOYSA-N 0 0 372.578 6.842 50 30 FKEARN CCCCCCCCCCCCCCCCSc1n[nH]c(CCC)n1 ZINC000008443698 520002938 /nfs/dbraw/zinc/00/29/38/520002938.db2.gz PYCBXAVRZXKWOC-UHFFFAOYSA-N 0 0 367.647 7.331 50 30 FKEARN CCCCCCCCCCCC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-] ZINC000008443706 519984169 /nfs/dbraw/zinc/98/41/69/519984169.db2.gz FZTPVUZARUFXGY-UHFFFAOYSA-N 0 0 364.486 5.853 50 30 FKEARN CCCCCCCCCCC(=O)Nc1nc2ccc(OCC)cc2s1 ZINC000008444167 570681972 /nfs/dbraw/zinc/68/19/72/570681972.db2.gz AWTLLHJICRBQSI-UHFFFAOYSA-N 0 0 362.539 6.164 50 30 FKEARN CCCCCCCCCCCCCC(=O)Nc1nc2cc(C)ccc2s1 ZINC000008445945 519988517 /nfs/dbraw/zinc/98/85/17/519988517.db2.gz MOJPNWURADDQBL-UHFFFAOYSA-N 0 0 374.594 7.244 50 30 FKEARN CCCCCCCCCCCCCC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000008452325 519987595 /nfs/dbraw/zinc/98/75/95/519987595.db2.gz NDBDTFZYGNOZNH-UHFFFAOYSA-N 0 0 360.542 6.285 50 30 FKEARN CCCCCCCCCCCCCC(=O)Nc1cc(OC)ccc1OC ZINC000008452329 519988245 /nfs/dbraw/zinc/98/82/45/519988245.db2.gz VZAQRKAXDHWBQD-UHFFFAOYSA-N 0 0 363.542 6.343 50 30 FKEARN CCCCCCCCCCCCCC(=O)Nc1cccc2cccnc21 ZINC000008452337 519988255 /nfs/dbraw/zinc/98/82/55/519988255.db2.gz KXVKKRKOZODISC-UHFFFAOYSA-N 0 0 354.538 6.874 50 30 FKEARN CCCCCCCCCCCCCC(=O)Nc1ccc(N(CC)CC)cc1 ZINC000008452342 207233755 /nfs/dbraw/zinc/23/37/55/207233755.db2.gz GCVRIANSQIJHOO-UHFFFAOYSA-N 0 0 374.613 7.172 50 30 FKEARN CCCCCCCCCOc1ccc(-c2ccc(C(=O)OCC)cc2)cc1 ZINC000008453724 570681917 /nfs/dbraw/zinc/68/19/17/570681917.db2.gz CAJNCNHXTYBDKB-UHFFFAOYSA-N 0 0 368.517 6.660 50 30 FKEARN CCCCCCCCCc1nc(-c2ccc(OCCCCCC)cc2)no1 ZINC000008453781 204330740 /nfs/dbraw/zinc/33/07/40/204330740.db2.gz VELFRACKXQITDP-UHFFFAOYSA-N 0 0 372.553 6.989 50 30 FKEARN CCCCCCCCCCCC(=O)Nc1nnc(CC2CCCC2)s1 ZINC000008454441 570681989 /nfs/dbraw/zinc/68/19/89/570681989.db2.gz MBWXCJOPBFMFMV-UHFFFAOYSA-N 0 0 365.587 6.130 50 30 FKEARN CCCCCCCCCCCC(=O)Nc1nnc(CC(C)(C)C)s1 ZINC000008454442 519983816 /nfs/dbraw/zinc/98/38/16/519983816.db2.gz LBCQFCOJXIYHKR-UHFFFAOYSA-N 0 0 353.576 5.986 50 30 FKEARN CC(C)c1ccc([C@H]2C3=C(NC4=C2C(=O)CCC4)c2ccccc2C3=O)cc1 ZINC000008462649 204331817 /nfs/dbraw/zinc/33/18/17/204331817.db2.gz BXTRKESTWQEDCV-OAQYLSRUSA-N 0 0 369.464 5.112 50 30 FKEARN C=CCn1c(S[C@@H](C)c2ccccc2Cl)nnc1-c1cccnc1 ZINC000008472075 519254147 /nfs/dbraw/zinc/25/41/47/519254147.db2.gz DKAIDIFZQLJIOT-ZDUSSCGKSA-N 0 0 356.882 5.033 50 30 FKEARN C=CCn1c(S[C@H](C)c2ccccc2Cl)nnc1-c1cccnc1 ZINC000008472079 519258200 /nfs/dbraw/zinc/25/82/00/519258200.db2.gz DKAIDIFZQLJIOT-CYBMUJFWSA-N 0 0 356.882 5.033 50 30 FKEARN COc1ccccc1NC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000008490699 204332621 /nfs/dbraw/zinc/33/26/21/204332621.db2.gz XVMDIZMAZKSMDJ-UHFFFAOYSA-N 0 0 366.465 5.134 50 30 FKEARN C=CCN(CC=C)Cc1c(C)[nH]c2ccc(Oc3ccccc3)cc2c1=O ZINC000008572576 518770316 /nfs/dbraw/zinc/77/03/16/518770316.db2.gz VMXWKGWVPGTJDC-UHFFFAOYSA-N 0 0 360.457 5.215 50 30 FKEARN Clc1ccc(C=NNC(=Nc2ccccc2)c2ccccn2)c(Cl)c1 ZINC000008578166 204334969 /nfs/dbraw/zinc/33/49/69/204334969.db2.gz HMNFZOLNAVJCNT-YDZHTSKRSA-N 0 0 369.255 5.281 50 30 FKEARN Cc1cccc(NC(=S)NN(Cc2ccccc2)c2ccccc2)c1C ZINC000008580253 524529439 /nfs/dbraw/zinc/52/94/39/524529439.db2.gz GVQHUFBEOVVCJN-UHFFFAOYSA-N 0 0 361.514 5.623 50 30 FKEARN N#Cc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)c(F)c1 ZINC000008590864 204335576 /nfs/dbraw/zinc/33/55/76/204335576.db2.gz IZZKNFAQWZJEMD-UHFFFAOYSA-N 0 0 373.412 5.226 50 30 FKEARN CC(C)N1C(=O)/C(=C/c2c[nH]c3ccccc23)S/C1=N\c1ccccc1 ZINC000008618333 207239860 /nfs/dbraw/zinc/23/98/60/207239860.db2.gz 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/nfs/dbraw/zinc/33/70/33/204337033.db2.gz XVCODOIHEIVHMA-CURYZJDOSA-N 0 0 354.384 5.022 50 30 FKEARN O=C(C=C1Nc2ccccc2NC1=CC(=O)c1ccccc1)c1ccccc1 ZINC000008643084 570684274 /nfs/dbraw/zinc/68/42/74/570684274.db2.gz IAOHCDDPBBHCQD-BMJUYKDLSA-N 0 0 366.420 5.058 50 30 FKEARN O=C1/C(=C/c2cccnc2)S/C(=N\c2ccccc2)N1C1CCCCC1 ZINC000008644185 207240686 /nfs/dbraw/zinc/24/06/86/207240686.db2.gz STTITXBGKXWPOC-IVTNFPRSSA-N 0 0 363.486 5.018 50 30 FKEARN CC[C@@H](C)Nc1oc(-c2ccc(COc3ccc(Cl)cc3)o2)nc1C#N ZINC000008654597 210794151 /nfs/dbraw/zinc/79/41/51/210794151.db2.gz KAOOFVCRPUPNTB-GFCCVEGCSA-N 0 0 371.824 5.249 50 30 FKEARN CC[C@H](C)Nc1oc(-c2ccc(COc3ccc(Cl)cc3)o2)nc1C#N ZINC000008654598 204338120 /nfs/dbraw/zinc/33/81/20/204338120.db2.gz KAOOFVCRPUPNTB-LBPRGKRZSA-N 0 0 371.824 5.249 50 30 FKEARN O=C1/C(=C/c2cccs2)S/C(=N\c2ccccc2)N1C1CCCC1 ZINC000008654966 207240590 /nfs/dbraw/zinc/24/05/90/207240590.db2.gz YYSHSMGRAQHSIZ-CJGMICOPSA-N 0 0 354.500 5.295 50 30 FKEARN C=CCSc1nc(-c2ccc(OC)cc2)cc(-c2cccs2)c1C#N ZINC000008657385 571112033 /nfs/dbraw/zinc/11/20/33/571112033.db2.gz ZWBYEASWICGZDA-UHFFFAOYSA-N 0 0 364.495 5.635 50 30 FKEARN COc1nc(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)c1C#N ZINC000008657401 571320812 /nfs/dbraw/zinc/32/08/12/571320812.db2.gz RWFZINADSZSPDJ-UHFFFAOYSA-N 0 0 355.224 5.603 50 30 FKEARN Cc1ccc(NN=C(C#N)c2nc(-c3ccc(C)cc3C)cs2)c(C)c1 ZINC000008664719 204337321 /nfs/dbraw/zinc/33/73/21/204337321.db2.gz NLUGIOUPORJDTC-NCELDCMTSA-N 0 0 360.486 5.384 50 30 FKEARN C=CCOc1nc2c(c(-c3ccccc3Cl)c1C#N)CCc1ccccc1-2 ZINC000008672296 210137379 /nfs/dbraw/zinc/13/73/79/210137379.db2.gz JMDMWIZBTKPKCQ-UHFFFAOYSA-N 0 0 372.855 5.604 50 30 FKEARN CC(=CC(=O)c1ccccc1)Nc1ccc(Br)c(Cl)c1 ZINC000008672599 210795201 /nfs/dbraw/zinc/79/52/01/210795201.db2.gz WMPVKBOHGIMWOY-PKNBQFBNSA-N 0 0 350.643 5.301 50 30 FKEARN Cc1cccc(C)c1NC(=S)NN(Cc1ccccc1)c1ccccc1 ZINC000008680906 524264427 /nfs/dbraw/zinc/26/44/27/524264427.db2.gz YZWAFSUQWKGAKP-UHFFFAOYSA-N 0 0 361.514 5.623 50 30 FKEARN Cc1cccc(C)c1NC(=S)NNc1ncc(C(F)(F)F)cc1Cl ZINC000008680909 210796016 /nfs/dbraw/zinc/79/60/16/210796016.db2.gz XLOVQUILYISEHV-UHFFFAOYSA-N 0 0 374.819 5.095 50 30 FKEARN Fc1ccc(NC(=S)Nc2ccc(OCc3ccccc3)cc2)cc1 ZINC000008682657 570684702 /nfs/dbraw/zinc/68/47/02/570684702.db2.gz WKHMYYHRQKSTTL-UHFFFAOYSA-N 0 0 352.434 5.434 50 30 FKEARN FC(F)Oc1ccccc1NC(=S)Nc1cccc(Cl)c1Cl ZINC000008682743 207241204 /nfs/dbraw/zinc/24/12/04/207241204.db2.gz KMVUSJJVGGWZNV-UHFFFAOYSA-N 0 0 363.216 5.624 50 30 FKEARN CCOc1ccc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000008683478 570684775 /nfs/dbraw/zinc/68/47/75/570684775.db2.gz CPRXTXUPKNDIQQ-UHFFFAOYSA-N 0 0 356.369 5.013 50 30 FKEARN Cc1cc(C)cc(NC(=S)NCCSc2ccc(Cl)cc2)c1 ZINC000008683644 570684901 /nfs/dbraw/zinc/68/49/01/570684901.db2.gz QDZYWFQEOAHJRB-UHFFFAOYSA-N 0 0 350.940 5.447 50 30 FKEARN Cc1cccc(NC(=S)NCCC(c2ccccc2)c2ccccc2)c1 ZINC000008683692 524530438 /nfs/dbraw/zinc/53/04/38/524530438.db2.gz CYLGXVABGLUFQV-UHFFFAOYSA-N 0 0 360.526 5.915 50 30 FKEARN Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)N=C3c4ccccc4C(=O)[C@H]32)cc1 ZINC000008684769 207240183 /nfs/dbraw/zinc/24/01/83/207240183.db2.gz NCWZIVGNXOOUHR-IRLDBZIGSA-N 0 0 369.464 5.037 50 30 FKEARN Cc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)N=C3c4ccccc4C(=O)[C@H]32)cc1 ZINC000008684770 204338658 /nfs/dbraw/zinc/33/86/58/204338658.db2.gz NCWZIVGNXOOUHR-UNMCSNQZSA-N 0 0 369.464 5.037 50 30 FKEARN Cc1ccc(C)c(NC(=S)NCCSc2ccc(Cl)cc2)c1 ZINC000008684786 524119112 /nfs/dbraw/zinc/11/91/12/524119112.db2.gz ZGWXCNXAALTBRS-UHFFFAOYSA-N 0 0 350.940 5.447 50 30 FKEARN COc1cc(C)c(NC(=S)Nc2cccc(Cl)c2C)cc1OC ZINC000008684912 204338497 /nfs/dbraw/zinc/33/84/97/204338497.db2.gz BPVGEBNNIMNPCP-UHFFFAOYSA-N 0 0 350.871 5.003 50 30 FKEARN COc1ccc2[nH]c(C)c(CCNC(=S)Nc3cc(C)ccc3C)c2c1 ZINC000008685199 571055090 /nfs/dbraw/zinc/05/50/90/571055090.db2.gz NLPXCCDNSWIHKB-UHFFFAOYSA-N 0 0 367.518 5.042 50 30 FKEARN Cc1ccc(C)c(NC(=S)NCc2ccc3[nH]c4c(c3c2)CCCC4)c1 ZINC000008685212 210795312 /nfs/dbraw/zinc/79/53/12/210795312.db2.gz GCWNMXJCUDKIHD-UHFFFAOYSA-N 0 0 363.530 5.561 50 30 aggregator FKEARN Cc1cc(C)cc(NC(=S)NCc2ccc3[nH]c4c(c3c2)CCCC4)c1 ZINC000008685217 207240601 /nfs/dbraw/zinc/24/06/01/207240601.db2.gz LAUPWPYCEYPSGS-UHFFFAOYSA-N 0 0 363.530 5.561 50 30 FKEARN COc1ccc2[nH]c(C)c(CCNC(=S)Nc3cccc(C)c3C)c2c1 ZINC000008685222 204338888 /nfs/dbraw/zinc/33/88/88/204338888.db2.gz FIBXIIWRCJXHDH-UHFFFAOYSA-N 0 0 367.518 5.042 50 30 FKEARN COc1ccc2[nH]c(C)c(CCNC(=S)Nc3cc(C)cc(C)c3)c2c1 ZINC000008685231 204339112 /nfs/dbraw/zinc/33/91/12/204339112.db2.gz RHVFWXUHTIXPGF-UHFFFAOYSA-N 0 0 367.518 5.042 50 30 FKEARN CC(C)c1ccc(NC(=S)NN(c2ccccc2)c2ccccc2)cc1 ZINC000008685400 571055033 /nfs/dbraw/zinc/05/50/33/571055033.db2.gz IZBYLHOYWUWZES-UHFFFAOYSA-N 0 0 361.514 6.261 50 30 aggregator FKEARN Oc1cccc2c(NC(=S)Nc3ccc(OC(F)F)cc3)cccc12 ZINC000008685639 204338798 /nfs/dbraw/zinc/33/87/98/204338798.db2.gz AMAZNCWRINYJNN-UHFFFAOYSA-N 0 0 360.385 5.176 50 30 FKEARN CCCCOc1ccc(CSCCNC(=S)Nc2ccccc2)cc1 ZINC000008687469 520883347 /nfs/dbraw/zinc/88/33/47/520883347.db2.gz PKLCTDTZZZGJRS-UHFFFAOYSA-N 0 0 374.575 5.497 50 30 FKEARN COc1cc(C)c(NC(=S)Nc2ccc(C)c(Cl)c2)cc1OC ZINC000008687628 219865829 /nfs/dbraw/zinc/86/58/29/219865829.db2.gz SNPMGCWDYLFJSY-UHFFFAOYSA-N 0 0 350.871 5.003 50 30 FKEARN C[C@H](NC(=S)Nc1ccc(OC(F)F)cc1OC(F)F)C(C)(C)C ZINC000008687905 571055201 /nfs/dbraw/zinc/05/52/01/571055201.db2.gz XOAZEISOVKGUTO-QMMMGPOBSA-N 0 0 368.396 5.022 50 30 FKEARN C[C@@H](NC(=S)Nc1ccc(OC(F)F)cc1OC(F)F)C(C)(C)C ZINC000008687906 571055111 /nfs/dbraw/zinc/05/51/11/571055111.db2.gz XOAZEISOVKGUTO-MRVPVSSYSA-N 0 0 368.396 5.022 50 30 FKEARN O=C(/C=C\c1ccccc1OC(=O)c1ccccc1)c1cc2ccccc2o1 ZINC000008690755 527658277 /nfs/dbraw/zinc/65/82/77/527658277.db2.gz CLDRRCVYIHWHOC-PFONDFGASA-N 0 0 368.388 5.548 50 30 FKEARN COc1ccc(/C=C/C(=O)c2ccc(N3Cc4ccccc4C3)cc2)cc1 ZINC000008695410 571055523 /nfs/dbraw/zinc/05/55/23/571055523.db2.gz DJPNUCNKCQGYKE-OVCLIPMQSA-N 0 0 355.437 5.112 50 30 FKEARN O=C(CCc1ncc(-c2ccc(F)cc2)o1)NCc1ccc(Cl)cc1 ZINC000008705560 527587076 /nfs/dbraw/zinc/58/70/76/527587076.db2.gz CUBKRTBQEFRXND-UHFFFAOYSA-N 0 0 358.800 5.223 50 30 FKEARN C=CCN(CC=C)Cc1c(C)[nH]c2ccc(OCc3ccccc3)cc2c1=O ZINC000008717241 571057147 /nfs/dbraw/zinc/05/71/47/571057147.db2.gz FVAUBGVZRXHOKE-UHFFFAOYSA-N 0 0 374.484 5.002 50 30 FKEARN COc1ccc(C(=O)/C=C\c2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1 ZINC000008733358 523543389 /nfs/dbraw/zinc/54/33/89/523543389.db2.gz RMPIKAZLSIGIBQ-APSNUPSMSA-N 0 0 372.420 5.119 50 30 FKEARN Cc1cc(C)c(C#N)c(SCc2ccc(C(=O)Nc3ccccc3)cc2)n1 ZINC000008745184 571059108 /nfs/dbraw/zinc/05/91/08/571059108.db2.gz UNZOKLAOCFFZED-UHFFFAOYSA-N 0 0 373.481 5.115 50 30 FKEARN N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000008751299 571059419 /nfs/dbraw/zinc/05/94/19/571059419.db2.gz DGOSWIYPOMLAHM-UHFFFAOYSA-N 0 0 366.342 5.496 50 30 FKEARN CC(C)=CCOc1ccc2c(c1C)O/C(=C/c1cn(C)c3ccccc13)C2=O ZINC000008765084 570685283 /nfs/dbraw/zinc/68/52/83/570685283.db2.gz STRYQUOSJQZXHI-LPYMAVHISA-N 0 0 373.452 5.448 50 30 FKEARN C=C(C)COc1ccc2c(c1C)O/C(=C/c1cn(C)c3ccccc13)C2=O ZINC000008765186 219869510 /nfs/dbraw/zinc/86/95/10/219869510.db2.gz NFTNYKVRZWTBBR-SRZZPIQSSA-N 0 0 359.425 5.058 50 30 FKEARN CC(C)=CCOc1ccc2c(c1)O/C(=C/c1cn(C)c3ccccc13)C2=O ZINC000008765356 570685044 /nfs/dbraw/zinc/68/50/44/570685044.db2.gz BQXPRJCXRJQDHA-WSDLNYQXSA-N 0 0 359.425 5.140 50 30 FKEARN CCn1cc(/C=C2/Oc3cc(OCC=C(C)C)ccc3C2=O)c2ccccc21 ZINC000008765522 206218185 /nfs/dbraw/zinc/21/81/85/206218185.db2.gz OOXWFRLPVNUBKF-YDZHTSKRSA-N 0 0 373.452 5.622 50 30 FKEARN C=C(C)COc1ccc2c(c1C)O/C(=C/c1cn(CC)c3ccccc13)C2=O ZINC000008765530 571060760 /nfs/dbraw/zinc/06/07/60/571060760.db2.gz AFVCVKATMFMRMD-WSDLNYQXSA-N 0 0 373.452 5.541 50 30 FKEARN C=C(C)COc1ccc2c(c1)O/C(=C/c1cn(CC)c3ccccc13)C2=O ZINC000008765531 571060829 /nfs/dbraw/zinc/06/08/29/571060829.db2.gz JQCASQXEZMQFFV-SSDVNMTOSA-N 0 0 359.425 5.232 50 30 FKEARN Clc1cccc(-c2ccc(C=NN=c3[nH]c4ccccc4[nH]3)o2)c1Cl ZINC000008813847 570688514 /nfs/dbraw/zinc/68/85/14/570688514.db2.gz MKSKIIJTDVTUKI-UFFVCSGVSA-N 0 0 371.227 5.576 50 30 FKEARN Cc1ccc(NC(=S)NNc2ncc(C(F)(F)F)cc2Cl)c(C)c1 ZINC000008828844 571062585 /nfs/dbraw/zinc/06/25/85/571062585.db2.gz KFSJSWKCBCFCMB-UHFFFAOYSA-N 0 0 374.819 5.095 50 30 FKEARN CCCCNc1oc(-c2ccc(COc3ccc(Cl)cc3)o2)nc1C#N ZINC000008844508 204346845 /nfs/dbraw/zinc/34/68/45/204346845.db2.gz XVJSOQMZGGARJZ-UHFFFAOYSA-N 0 0 371.824 5.251 50 30 FKEARN CCCCCCCCCCCCCCCCOC[C@H](CO)OC(C)=O ZINC000008860485 204347860 /nfs/dbraw/zinc/34/78/60/204347860.db2.gz QTEHGUUSIIWOOW-NRFANRHFSA-N 0 0 358.563 5.408 50 30 in-vitro FKEARN CCCCCCCCCCCCCC(=O)N[C@H](C)[C@@H](O)c1ccccc1 ZINC000008860503 519987489 /nfs/dbraw/zinc/98/74/89/519987489.db2.gz YLAZEWZHIRBZDA-NFBKMPQASA-N 0 0 361.570 5.926 50 30 in-vitro FKEARN CCCCC1CCC(c2nc(C#N)c(NCc3ccc(F)cc3)o2)CC1 ZINC000008868424 210807976 /nfs/dbraw/zinc/80/79/76/210807976.db2.gz 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COc1ccc(/C=C2\Oc3cc(OCc4cccc(C)c4)ccc3C2=O)cc1 ZINC000012374186 204456405 /nfs/dbraw/zinc/45/64/05/204456405.db2.gz VOQBLRRLVDAJKJ-QRVIBDJDSA-N 0 0 372.420 5.199 50 30 FKEARN O=C1c2ccccc2S/C1=C\c1ccc(OCc2ccccc2F)cc1 ZINC000012375536 204456832 /nfs/dbraw/zinc/45/68/32/204456832.db2.gz UTJXEMLNXRZYKV-BKUYFWCQSA-N 0 0 362.425 5.734 50 30 FKEARN O=C1/C(=C\c2ccccc2)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000012375745 210947914 /nfs/dbraw/zinc/94/79/14/210947914.db2.gz NUURGOCMONEDNX-SUJVXMJXSA-N 0 0 356.450 5.495 50 30 FKEARN O=C(Oc1ccccc1/C=C1\Sc2ccccc2C1=O)c1ccccc1 ZINC000012375941 207367083 /nfs/dbraw/zinc/36/70/83/207367083.db2.gz RWTIAVYPUHTIPX-ZHZULCJRSA-N 0 0 358.418 5.235 50 30 FKEARN O=C(c1ccccc1)c1cc(Cl)ccc1/N=C\c1cccc(Cl)c1 ZINC000012375948 570740600 /nfs/dbraw/zinc/74/06/00/570740600.db2.gz ADMJUEWONNHPPH-QRVIBDJDSA-N 0 0 354.236 5.975 50 30 FKEARN Clc1ccc(/N=C\c2ccccc2OCc2ccccc2)c(Cl)c1 ZINC000012376563 263370952 /nfs/dbraw/zinc/37/09/52/263370952.db2.gz SZCDYOYMKZVBNB-QRVIBDJDSA-N 0 0 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COc1c(Cl)cc(Cl)cc1[C@@H](C#N)N1N=C(C)C[C@@H]1c1ccccc1 ZINC000013838776 207489860 /nfs/dbraw/zinc/48/98/60/207489860.db2.gz MXIJKSTURHMVDS-QZTJIDSGSA-N 0 0 374.271 5.390 50 30 FKEARN C=CCn1c(SCc2cccc(C)c2)nnc1[C@@H](C)Oc1ccccc1 ZINC000013850294 571121876 /nfs/dbraw/zinc/12/18/76/571121876.db2.gz KVGNDIWYRVMBLE-QGZVFWFLSA-N 0 0 365.502 5.205 50 30 FKEARN C=CCn1c(SCc2cccc(C)c2)nnc1[C@H](C)Oc1ccccc1 ZINC000013850296 571121931 /nfs/dbraw/zinc/12/19/31/571121931.db2.gz KVGNDIWYRVMBLE-KRWDZBQOSA-N 0 0 365.502 5.205 50 30 FKEARN C=CCn1c(SCc2ccc(F)cc2)nnc1[C@@H](C)Oc1ccccc1 ZINC000013850306 571120263 /nfs/dbraw/zinc/12/02/63/571120263.db2.gz NDMYLXAWSLMSJS-OAHLLOKOSA-N 0 0 369.465 5.036 50 30 FKEARN C=CCn1c(SCc2ccc(F)cc2)nnc1[C@H](C)Oc1ccccc1 ZINC000013850308 571120603 /nfs/dbraw/zinc/12/06/03/571120603.db2.gz NDMYLXAWSLMSJS-HNNXBMFYSA-N 0 0 369.465 5.036 50 30 FKEARN COc1ccc(/N=C2/S/C(=C\c3cccs3)C(=O)N2CC(C)C)cc1 ZINC000013858360 220097863 /nfs/dbraw/zinc/09/78/63/220097863.db2.gz 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N#Cc1cccc(NC(=O)CSC(c2ccccc2)c2ccccc2)c1 ZINC000015643918 571098432 /nfs/dbraw/zinc/09/84/32/571098432.db2.gz HUJYRYPDDLZGCK-UHFFFAOYSA-N 0 0 358.466 5.020 50 30 FKEARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC=C(/C(C)=N\O)[C@@]4(C)CC[C@@H]32)C1 ZINC000015657721 211134087 /nfs/dbraw/zinc/13/40/87/211134087.db2.gz OVKSHCIVDWZSJD-ZYCYNAJASA-N 0 0 371.521 5.267 50 30 FKEARN COc1ccc(Cl)cc1-c1ccc(/C=C2\Sc3ccccc3C2=O)o1 ZINC000015658890 211134717 /nfs/dbraw/zinc/13/47/17/211134717.db2.gz VLTUBRVAAQIEEE-ODLFYWEKSA-N 0 0 368.841 5.938 50 30 FKEARN O=C1c2ccccc2S/C1=C/c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000015659702 570842757 /nfs/dbraw/zinc/84/27/57/570842757.db2.gz QJVFHTWZTSYURP-NTUHNPAUSA-N 0 0 352.198 5.231 50 30 FKEARN Cc1ccc2[nH]c(=O)c(C(=O)/C=C\c3ccccc3)c(-c3ccccc3)c2c1 ZINC000015724499 220161628 /nfs/dbraw/zinc/16/16/28/220161628.db2.gz LCSSWLIVMOHRDX-SQFISAMPSA-N 0 0 365.432 5.400 50 30 FKEARN CC[C@@H](NC(=O)/C=C/c1cn(CCC#N)c2ccccc12)c1ccc(C)cc1 ZINC000015741742 522660245 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CCCCSc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)c1C#N ZINC000016805397 204642570 /nfs/dbraw/zinc/64/25/70/204642570.db2.gz HHSCRVGGXPHXCL-UHFFFAOYSA-N 0 0 370.827 6.185 50 30 FKEARN N#Cc1cnc2ccc(Cl)cc2c1N1CCC(Cc2ccccc2)CC1 ZINC000016841514 571273099 /nfs/dbraw/zinc/27/30/99/571273099.db2.gz JKIVCVUWYBPCSW-UHFFFAOYSA-N 0 0 361.876 5.219 50 30 FKEARN N=C1N(c2ccccc2)C(=S)/C(=N\c2ccccc2)N1c1ccccc1 ZINC000016958720 570864092 /nfs/dbraw/zinc/86/40/92/570864092.db2.gz SOLNIHCIAWZQOF-MPYATAOSSA-N 0 0 356.454 5.006 50 30 FKEARN COc1ccccc1[C@@H]1Sc2ccccc2NC2=C1C(=O)C[C@H](C)C2 ZINC000016975401 211174143 /nfs/dbraw/zinc/17/41/43/211174143.db2.gz XVKMRMSNVWXMLT-ASSNKEHSSA-N 0 0 351.471 5.207 50 30 FKEARN COc1ccc(-c2sc(/N=C/c3cccs3)c(C#N)c2C)cc1OC ZINC000017025271 570865133 /nfs/dbraw/zinc/86/51/33/570865133.db2.gz UBAXBQHDFYXWJO-SRZZPIQSSA-N 0 0 368.483 5.425 50 30 FKEARN Cc1ccc(-c2csc(C(C#N)=NNc3cccc(Cl)c3)n2)c(C)c1 ZINC000017026028 525778587 /nfs/dbraw/zinc/77/85/87/525778587.db2.gz 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Clc1ccccc1/C=N/c1ccc(/N=C/c2ccccc2Cl)cc1 ZINC000017109648 210154506 /nfs/dbraw/zinc/15/45/06/210154506.db2.gz NUJUHUQSYKOLAT-RNIAWFEPSA-N 0 0 353.252 6.495 50 30 FKEARN Clc1ccc(/N=C/c2c3ccccc3cc3ccccc32)c(Cl)c1 ZINC000017110220 220206112 /nfs/dbraw/zinc/20/61/12/220206112.db2.gz YRNNQBRUTGXDEU-ZMOGYAJESA-N 0 0 350.248 7.050 50 30 FKEARN O=C1c2cc(Cl)cc(Cl)c2O/C1=C\c1ccc(Cl)cc1Cl ZINC000017118242 211178778 /nfs/dbraw/zinc/17/87/78/211178778.db2.gz AWBWELFHBWCXCB-DXNYSGJVSA-N 0 0 360.023 5.916 50 30 FKEARN Cc1ccc2oc(-c3ccc(C)c(/N=C\c4ccc([N+](=O)[O-])o4)c3)nc2c1 ZINC000017118680 570868905 /nfs/dbraw/zinc/86/89/05/570868905.db2.gz FNLPZFUAXCCIJY-NHDPSOOVSA-N 0 0 361.357 5.363 50 30 FKEARN O=C1NC(=Nc2cccc(C(F)(F)F)c2)SC1=Cc1ccc(F)cc1 ZINC000017124137 570869123 /nfs/dbraw/zinc/86/91/23/570869123.db2.gz UYVTZEDGWCMKKH-ZSOIEALJSA-N 0 0 366.339 5.576 50 30 FKEARN COc1cc(/C=C2\Sc3ccccc3C2=O)ccc1OCCC(C)C ZINC000017136172 521977770 /nfs/dbraw/zinc/97/77/70/521977770.db2.gz 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211183561 /nfs/dbraw/zinc/18/35/61/211183561.db2.gz OKQFNPZTAJFJGH-STZFKDTASA-N 0 0 366.635 5.130 50 30 FKEARN CC(C)(C)C(=CCc1ccccc1)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000017206881 211183159 /nfs/dbraw/zinc/18/31/59/211183159.db2.gz MCNFQUFLMJYHTB-AJYLUSLFSA-N 0 0 368.393 5.030 50 30 FKEARN Cc1ccc2oc(-c3ccc(/N=C/c4cc(Cl)ccc4O)cc3)nc2c1 ZINC000017206901 220209036 /nfs/dbraw/zinc/20/90/36/220209036.db2.gz FDCUCLADZJWVMV-FSJBWODESA-N 0 0 362.816 5.913 50 30 FKEARN N#Cc1c(-c2ccccc2)cc(-c2ccc(F)cc2)nc1N1CCCCCC1 ZINC000017208198 570747096 /nfs/dbraw/zinc/74/70/96/570747096.db2.gz PLOOHVJOTWAIOA-UHFFFAOYSA-N 0 0 371.459 5.807 50 30 FKEARN C[C@H](O[C@]12CCCC[C@@H]1[C@@H](c1ccccc1)C2(C#N)C#N)c1ccccc1 ZINC000017241808 220212352 /nfs/dbraw/zinc/21/23/52/220212352.db2.gz SWDBMCQPUIRLDP-UCIDMZFESA-N 0 0 356.469 5.524 50 30 FKEARN ClC12C[C@@H]3C[C@H](C1)CC(c1ccc(/N=C/c4cccs4)cc1)(C3)C2 ZINC000017242053 211183245 /nfs/dbraw/zinc/18/32/45/211183245.db2.gz RQKPBDNYJWVLFP-RJTWTYMGSA-N 0 0 355.934 6.328 50 30 FKEARN COc1ccc(/C=N\N=C/c2ccc(OC)c3ccccc23)c2ccccc12 ZINC000017264804 211183396 /nfs/dbraw/zinc/18/33/96/211183396.db2.gz DGGJELVUDZMZCT-YXHOTNNGSA-N 0 0 368.436 5.463 50 30 FKEARN O=C1/C(=C/c2ccc(F)cc2)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000017282211 570871735 /nfs/dbraw/zinc/87/17/35/570871735.db2.gz TYTGDSMNTJULHF-WELATPIXSA-N 0 0 374.440 5.634 50 30 FKEARN C/C(=N\N=C(c1ccccc1)c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000017282298 211183344 /nfs/dbraw/zinc/18/33/44/211183344.db2.gz FETXCABWHUSPHQ-SGWCAAJKSA-N 0 0 374.487 6.615 50 30 FKEARN O=C(/C=C\c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000017286717 570748186 /nfs/dbraw/zinc/74/81/86/570748186.db2.gz LRNSKEMAIABAKW-KMKOMSMNSA-N 0 0 366.052 5.108 50 30 FKEARN CCN(CC)c1ccc(/C=N/c2ccc(C)cc2C(=O)c2ccccc2)cc1 ZINC000017299445 207614908 /nfs/dbraw/zinc/61/49/08/207614908.db2.gz UAUDDXVZLIJBHV-NLRVBDNBSA-N 0 0 370.496 5.823 50 30 FKEARN C=CCn1c(C)c(C=C2SC(Nc3ccccc3)=NC2=O)c2ccccc21 ZINC000017299700 571140400 /nfs/dbraw/zinc/14/04/00/571140400.db2.gz 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/nfs/dbraw/zinc/87/37/65/570873765.db2.gz OYSDTEKMUOEYEN-OCOZRVBESA-N 0 0 358.367 5.787 50 30 FKEARN FC(F)(F)c1cccc(N=CC=CNc2cccc(C(F)(F)F)c2)c1 ZINC000017886610 570874264 /nfs/dbraw/zinc/87/42/64/570874264.db2.gz RZUIQNCSIZJPGE-MUVGXKKNSA-N 0 0 358.285 6.052 50 30 FKEARN CCOC(=O)c1oc2ccc(/C=N/Cc3ccccc3)c(Cl)c2c1C ZINC000017903320 211188279 /nfs/dbraw/zinc/18/82/79/211188279.db2.gz WGJXAVMXYKMIOZ-WSDLNYQXSA-N 0 0 355.821 5.190 50 30 FKEARN O=[N+]([O-])c1cccc(/N=C/c2ccc(/C=N/c3cccc([N+](=O)[O-])c3)cc2)c1 ZINC000017968145 570874295 /nfs/dbraw/zinc/87/42/95/570874295.db2.gz CHIPFZGXXZOKHN-JFMUQQRKSA-N 0 0 374.356 5.004 50 30 FKEARN Oc1ccccc1/C=N/c1cccc2c(/N=C/c3ccccc3O)cccc12 ZINC000017970151 211188461 /nfs/dbraw/zinc/18/84/61/211188461.db2.gz RXOCGLLBLVONOM-RYQLWAFASA-N 0 0 366.420 5.752 50 30 FKEARN C(=N/c1ccccc1-c1ccccc1/N=C/c1ccccc1)\c1ccccc1 ZINC000017971026 220219731 /nfs/dbraw/zinc/21/97/31/220219731.db2.gz VPKMOHKPMZAAAJ-MKYUKRCKSA-N 0 0 360.460 6.855 50 30 FKEARN Clc1ccc(/C=N/c2ccc(/N=C/c3ccc(Cl)cc3)cc2)cc1 ZINC000017995184 203863750 /nfs/dbraw/zinc/86/37/50/203863750.db2.gz MSQKRZFWBVBWFU-RNIAWFEPSA-N 0 0 353.252 6.495 50 30 FKEARN Clc1ccc(/N=C/c2ccc(/C=N/c3ccc(Cl)cc3)cc2)cc1 ZINC000018022598 571122710 /nfs/dbraw/zinc/12/27/10/571122710.db2.gz ITCBZDBGGMJBQB-RNIAWFEPSA-N 0 0 353.252 6.495 50 30 FKEARN Brc1cccc(/C=N\c2ccc(/N=N/c3ccccc3)cc2)c1 ZINC000018038452 220221730 /nfs/dbraw/zinc/22/17/30/220221730.db2.gz YGEPNWRDCMNJAE-FFRCMLGQSA-N 0 0 364.246 6.615 50 30 FKEARN O=C(C=C(Nc1ccc(Cl)cc1)C(=O)c1ccccc1)c1ccccc1 ZINC000018042302 527663579 /nfs/dbraw/zinc/66/35/79/527663579.db2.gz RGDKTNXOTPIQEH-HIISCUNHSA-N 0 0 361.828 5.895 50 30 FKEARN O/N=C(\c1ccc(Cl)cc1Cl)c1ncc(C(F)(F)F)cc1Cl ZINC000018045520 220222239 /nfs/dbraw/zinc/22/22/39/220222239.db2.gz VZCLLMDAMDVQMG-SRZZPIQSSA-N 0 0 369.557 5.287 50 30 FKEARN COC(=O)c1ccc(/C=N\c2cccc(-c3nc4cc(C)ccc4o3)c2)cc1 ZINC000018055810 220222246 /nfs/dbraw/zinc/22/22/46/220222246.db2.gz CFOYYRBZPRJUPO-OYKKKHCWSA-N 0 0 370.408 5.340 50 30 FKEARN Cc1cccc(NC(=NNc2ccc([N+](=O)[O-])cc2)c2cccc(C)c2)c1 ZINC000018056427 524529770 /nfs/dbraw/zinc/52/97/70/524529770.db2.gz YXPOQHIGARPBED-UHFFFAOYSA-N 0 0 360.417 5.097 50 30 FKEARN COC(=O)c1ccc(/C=N/c2ccc(-c3nc4cc(C)ccc4o3)cc2)cc1 ZINC000018059274 220222041 /nfs/dbraw/zinc/22/20/41/220222041.db2.gz PCZJQGWRZVQKJD-ZVHZXABRSA-N 0 0 370.408 5.340 50 30 FKEARN O=[N+]([O-])c1cc(/C=N/c2ccc3ccccc3c2)ccc1Br ZINC000018066810 570807090 /nfs/dbraw/zinc/80/70/90/570807090.db2.gz RJDUYHJBVARSFX-YBFXNURJSA-N 0 0 355.191 5.261 50 30 FKEARN CC(Nc1ccccc1)=C1C(=O)C=C(c2ccco2)C[C@@H]1c1ccccc1 ZINC000018067850 211189830 /nfs/dbraw/zinc/18/98/30/211189830.db2.gz VZAAVITZXFOXLO-YZYPULCFSA-N 0 0 355.437 6.455 50 30 FKEARN C(=N/c1ccc(-c2ccc(/N=C/c3ccccc3)cc2)cc1)\c1ccccc1 ZINC000018068083 211190726 /nfs/dbraw/zinc/19/07/26/211190726.db2.gz QUDPDXGSAOZKNW-MKYUKRCKSA-N 0 0 360.460 6.855 50 30 FKEARN CCCCCCOc1ccc(/C=N/c2ccc(C(=O)OCC)cc2)cc1 ZINC000018068645 570874681 /nfs/dbraw/zinc/87/46/81/570874681.db2.gz NCUKICSZOYPWEA-HAVVHWLPSA-N 0 0 353.462 5.573 50 30 FKEARN Cc1nc2cc(/N=C/c3ccc(Cl)cc3)ccc2n1Cc1ccccc1 ZINC000018069389 220223766 /nfs/dbraw/zinc/22/37/66/220223766.db2.gz VOAJKRKWMWBAAH-ZVHZXABRSA-N 0 0 359.860 5.797 50 30 FKEARN CN1c2ccccc2C(C)(C)C1=CC(=O)CSCc1ccc(Cl)cc1 ZINC000018081316 524034329 /nfs/dbraw/zinc/03/43/29/524034329.db2.gz NPRINZAMGPYTPD-NDENLUEZSA-N 0 0 371.933 5.454 50 30 FKEARN CCOc1ccc(/N=C/c2ccc(/C=N/c3ccc(OCC)cc3)cc2)cc1 ZINC000018086800 570875224 /nfs/dbraw/zinc/87/52/24/570875224.db2.gz KSHALPAIUOUGBA-RPCRKUJJSA-N 0 0 372.468 5.985 50 30 FKEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000018089913 211190860 /nfs/dbraw/zinc/19/08/60/211190860.db2.gz PCQMCPDNWOGZJJ-ULJHMMPZSA-N 0 0 369.464 5.973 50 30 FKEARN COc1cc(/C=N/c2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1 ZINC000018100197 521999661 /nfs/dbraw/zinc/99/96/61/521999661.db2.gz XZIDZXBMPAPXBK-OEAKJJBVSA-N 0 0 365.816 5.318 50 30 FKEARN Clc1ccc(/N=C\c2cccc(OCc3ccccc3)c2)cc1Cl ZINC000018101874 526940775 /nfs/dbraw/zinc/94/07/75/526940775.db2.gz MEHFZGUOMAQNPO-QRVIBDJDSA-N 0 0 356.252 6.323 50 30 FKEARN Brc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)s1 ZINC000018105592 220224000 /nfs/dbraw/zinc/22/40/00/220224000.db2.gz WJGVQRMZSRBKTQ-XDHOZWIPSA-N 0 0 358.260 6.054 50 30 FKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccco1)Nc1ccccc1N2 ZINC000018107048 570875045 /nfs/dbraw/zinc/87/50/45/570875045.db2.gz KUWZVOVLTONVDL-QMHKHESXSA-N 0 0 356.425 5.259 50 30 FKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccco1)Nc1ccccc1N2 ZINC000018107050 211191694 /nfs/dbraw/zinc/19/16/94/211191694.db2.gz KUWZVOVLTONVDL-WAIKUNEKSA-N 0 0 356.425 5.259 50 30 FKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccco1)Nc1ccccc1N2 ZINC000018107053 570875236 /nfs/dbraw/zinc/87/52/36/570875236.db2.gz KUWZVOVLTONVDL-HJPURHCSSA-N 0 0 356.425 5.259 50 30 FKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccco1)Nc1ccccc1N2 ZINC000018107056 211192737 /nfs/dbraw/zinc/19/27/37/211192737.db2.gz KUWZVOVLTONVDL-MWTRTKDXSA-N 0 0 356.425 5.259 50 30 FKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccccc1)Nc1ccccc1N2 ZINC000018107193 220223663 /nfs/dbraw/zinc/22/36/63/220223663.db2.gz CDXSQFDGKAZEGS-UQBPGWFLSA-N 0 0 366.464 5.666 50 30 FKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccccc1)Nc1ccccc1N2 ZINC000018107196 220223168 /nfs/dbraw/zinc/22/31/68/220223168.db2.gz CDXSQFDGKAZEGS-KBMIEXCESA-N 0 0 366.464 5.666 50 30 FKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccccc1)Nc1ccccc1N2 ZINC000018107198 211192318 /nfs/dbraw/zinc/19/23/18/211192318.db2.gz CDXSQFDGKAZEGS-DFBJGRDBSA-N 0 0 366.464 5.666 50 30 FKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccccc1)Nc1ccccc1N2 ZINC000018107200 220224058 /nfs/dbraw/zinc/22/40/58/220224058.db2.gz CDXSQFDGKAZEGS-CLOONOSVSA-N 0 0 366.464 5.666 50 30 FKEARN C(=N/c1ccc(-c2ccc(/N=C/c3cccnc3)cc2)cc1)\c1cccnc1 ZINC000018115349 211192535 /nfs/dbraw/zinc/19/25/35/211192535.db2.gz ACWOOOKWKXFHIC-XUIWWLCJSA-N 0 0 362.436 5.645 50 30 FKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccsc1)Nc1ccccc1N2 ZINC000018115921 211192789 /nfs/dbraw/zinc/19/27/89/211192789.db2.gz LCKRXPPKZWPQFH-GAJHUEQPSA-N 0 0 372.493 5.728 50 30 FKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccsc1)Nc1ccccc1N2 ZINC000018115924 570875091 /nfs/dbraw/zinc/87/50/91/570875091.db2.gz LCKRXPPKZWPQFH-UZUQRXQVSA-N 0 0 372.493 5.728 50 30 FKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccsc1)Nc1ccccc1N2 ZINC000018115926 570875120 /nfs/dbraw/zinc/87/51/20/570875120.db2.gz LCKRXPPKZWPQFH-SBUREZEXSA-N 0 0 372.493 5.728 50 30 FKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccsc1)Nc1ccccc1N2 ZINC000018115929 220223205 /nfs/dbraw/zinc/22/32/05/220223205.db2.gz LCKRXPPKZWPQFH-HXOBKFHXSA-N 0 0 372.493 5.728 50 30 FKEARN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1NC1CCCCC1 ZINC000018116398 220224888 /nfs/dbraw/zinc/22/48/88/220224888.db2.gz UFBNWZVIMRSRBK-UHFFFAOYSA-N 0 0 353.469 6.032 50 30 FKEARN CC(C)(C)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000018116403 211192866 /nfs/dbraw/zinc/19/28/66/211192866.db2.gz RFRZLQYQWIHPRD-HSZRJFAPSA-N 0 0 374.528 6.206 50 30 FKEARN CC(C)(C)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000018116406 207627938 /nfs/dbraw/zinc/62/79/38/207627938.db2.gz RFRZLQYQWIHPRD-QHCPKHFHSA-N 0 0 374.528 6.206 50 30 FKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccccn1)Nc1ccccc1N2 ZINC000018116788 204660498 /nfs/dbraw/zinc/66/04/98/204660498.db2.gz ACCKYZZYUGOSOR-BXKMTCNYSA-N 0 0 367.452 5.061 50 30 FKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccccn1)Nc1ccccc1N2 ZINC000018116790 211192116 /nfs/dbraw/zinc/19/21/16/211192116.db2.gz ACCKYZZYUGOSOR-MZNJEOGPSA-N 0 0 367.452 5.061 50 30 FKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccccn1)Nc1ccccc1N2 ZINC000018116792 211192244 /nfs/dbraw/zinc/19/22/44/211192244.db2.gz ACCKYZZYUGOSOR-XDHUDOTRSA-N 0 0 367.452 5.061 50 30 FKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccccn1)Nc1ccccc1N2 ZINC000018116795 570875053 /nfs/dbraw/zinc/87/50/53/570875053.db2.gz ACCKYZZYUGOSOR-OSPHWJPCSA-N 0 0 367.452 5.061 50 30 FKEARN COc1ccc(C)cc1/N=C/c1ccc(/C=N/c2cc(C)ccc2OC)cc1 ZINC000018119307 523799278 /nfs/dbraw/zinc/79/92/78/523799278.db2.gz VOFQSHZKHYFHRT-RYQLWAFASA-N 0 0 372.468 5.822 50 30 FKEARN O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3cccc(O)c3)C12 ZINC000018123160 570875636 /nfs/dbraw/zinc/87/56/36/570875636.db2.gz ZBFOSQLCSMUCGD-QFIPXVFZSA-N 0 0 357.434 5.259 50 30 FKEARN O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3cccc(O)c3)C12 ZINC000018123161 211192215 /nfs/dbraw/zinc/19/22/15/211192215.db2.gz ZBFOSQLCSMUCGD-JOCHJYFZSA-N 0 0 357.434 5.259 50 30 FKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1c(F)cccc1Cl ZINC000018136401 570875649 /nfs/dbraw/zinc/87/56/49/570875649.db2.gz JLWXMZCERBMWOR-HXUWFJFHSA-N 0 0 370.855 5.701 50 30 FKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1c(F)cccc1Cl ZINC000018136403 570875748 /nfs/dbraw/zinc/87/57/48/570875748.db2.gz JLWXMZCERBMWOR-FQEVSTJZSA-N 0 0 370.855 5.701 50 30 FKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccncc1)Nc1ccccc1N2 ZINC000018137040 207627523 /nfs/dbraw/zinc/62/75/23/207627523.db2.gz VLACKTMVJUXYKX-MHECFPHRSA-N 0 0 367.452 5.061 50 30 FKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccncc1)Nc1ccccc1N2 ZINC000018137042 570875643 /nfs/dbraw/zinc/87/56/43/570875643.db2.gz VLACKTMVJUXYKX-HOYKHHGWSA-N 0 0 367.452 5.061 50 30 FKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccncc1)Nc1ccccc1N2 ZINC000018137044 570875776 /nfs/dbraw/zinc/87/57/76/570875776.db2.gz VLACKTMVJUXYKX-UUOWRZLLSA-N 0 0 367.452 5.061 50 30 FKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccncc1)Nc1ccccc1N2 ZINC000018137046 204661471 /nfs/dbraw/zinc/66/14/71/204661471.db2.gz VLACKTMVJUXYKX-KOSHJBKYSA-N 0 0 367.452 5.061 50 30 FKEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)c1cccc(Oc2ccccc2)c1 ZINC000018142275 220225426 /nfs/dbraw/zinc/22/54/26/220225426.db2.gz YTJDEGPJRVEMJA-ULJHMMPZSA-N 0 0 369.464 5.973 50 30 FKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@@H]2c1ccccn1 ZINC000018143683 570875759 /nfs/dbraw/zinc/87/57/59/570875759.db2.gz BMXZRRVQUZBCGN-QHCPKHFHSA-N 0 0 354.453 5.435 50 30 FKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@H]2c1ccccn1 ZINC000018143685 211192831 /nfs/dbraw/zinc/19/28/31/211192831.db2.gz BMXZRRVQUZBCGN-HSZRJFAPSA-N 0 0 354.453 5.435 50 30 FKEARN C=CCSc1nc2ccc(/N=C/c3ccc([N+](=O)[O-])cc3)cc2s1 ZINC000018157950 204661212 /nfs/dbraw/zinc/66/12/12/204661212.db2.gz WSLNTXAMOSUCCH-WOJGMQOQSA-N 0 0 355.444 5.233 50 30 FKEARN c1ccc(/N=C(C(=N/c2ccccc2)/c2ccccc2)\c2ccccc2)cc1 ZINC000018158369 570875699 /nfs/dbraw/zinc/87/56/99/570875699.db2.gz YBGSMMQIEMVNHB-NBHCHVEOSA-N 0 0 360.460 6.628 50 30 FKEARN C[C@]12CC3CC(C(=O)Nc4sc5c(c4C#N)CCCC5)(C1)C[C@@](C)(C3)C2 ZINC000018166210 220225033 /nfs/dbraw/zinc/22/50/33/220225033.db2.gz COORKWFYMDDIMN-BGCCBAISSA-N 0 0 368.546 5.434 50 30 FKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cc(F)cc(F)c1 ZINC000018172869 204661838 /nfs/dbraw/zinc/66/18/38/204661838.db2.gz MZJGLZTVKGQGQQ-HXUWFJFHSA-N 0 0 354.400 5.187 50 30 FKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cc(F)cc(F)c1 ZINC000018172871 211193810 /nfs/dbraw/zinc/19/38/10/211193810.db2.gz MZJGLZTVKGQGQQ-FQEVSTJZSA-N 0 0 354.400 5.187 50 30 FKEARN CN(C)c1ccc(/C=N/c2ccc(/C=C3\C=Cc4ccccc43)cc2)cc1 ZINC000018176606 204661847 /nfs/dbraw/zinc/66/18/47/204661847.db2.gz NQHDJIZJAGLCSP-VWLIMRMXSA-N 0 0 350.465 6.071 50 30 FKEARN CCCCCc1ccc(-c2ccc(-c3ncc(/N=C/N(C)C)cn3)cc2)cc1 ZINC000018178788 570813837 /nfs/dbraw/zinc/81/38/37/570813837.db2.gz AJSJSFMROVVOCH-OVVQPSECSA-N 0 0 372.516 5.765 50 30 FKEARN Cc1ccc(Nc2c3c(c(C#N)c4nc5ccccc5n42)CCC3)cc1Cl ZINC000018179858 206323093 /nfs/dbraw/zinc/32/30/93/206323093.db2.gz PEHXVIUDTMCELW-UHFFFAOYSA-N 0 0 372.859 5.553 50 30 FKEARN CCCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1C[C@H](C)C[C@H](C)C1 ZINC000018183208 570814247 /nfs/dbraw/zinc/81/42/47/570814247.db2.gz YNDJUXONCOBARF-CALCHBBNSA-N 0 0 374.532 5.493 50 30 FKEARN CCCc1sc(N=NCc2ccccn2)nc1-c1ccc(Cl)cc1 ZINC000018192518 263373417 /nfs/dbraw/zinc/37/34/17/263373417.db2.gz IHOVZBYUCULJDQ-CIAFOILYSA-N 0 0 356.882 5.257 50 30 FKEARN N#Cc1c(/N=C/c2ccc(Cl)cc2)oc(-c2ccoc2)c1-c1ccco1 ZINC000018192545 211193777 /nfs/dbraw/zinc/19/37/77/211193777.db2.gz COQKLLCKPSDHAI-FOKLQQMPSA-N 0 0 362.772 6.075 50 30 FKEARN Cc1cc(C)cc(Oc2cc(C#N)c(C#N)cc2Oc2cc(C)cc(C)c2)c1 ZINC000018195228 570814659 /nfs/dbraw/zinc/81/46/59/570814659.db2.gz SIOSAQVDXCLQGJ-UHFFFAOYSA-N 0 0 368.436 6.248 50 30 FKEARN CC(C)c1ccc([C@H]2c3cc4c(cc3NC3=C2C(=O)CCC3)OCO4)cc1 ZINC000018196812 570814679 /nfs/dbraw/zinc/81/46/79/570814679.db2.gz BRAIHGJLIFQKAY-QFIPXVFZSA-N 0 0 361.441 5.103 50 30 FKEARN CC(C)c1ccc([C@@H]2c3cc4c(cc3NC3=C2C(=O)CCC3)OCO4)cc1 ZINC000018196814 220227744 /nfs/dbraw/zinc/22/77/44/220227744.db2.gz BRAIHGJLIFQKAY-JOCHJYFZSA-N 0 0 361.441 5.103 50 30 FKEARN CC1(C)CC(=O)C2=C(C1)Nc1cc(O)ccc1[C@@H]2c1ccc(Cl)cc1 ZINC000018199253 211194445 /nfs/dbraw/zinc/19/44/45/211194445.db2.gz FIGRHSNFIWXENI-IBGZPJMESA-N 0 0 353.849 5.246 50 30 FKEARN CC1(C)CC(=O)C2=C(C1)Nc1cc(O)ccc1[C@H]2c1ccc(Cl)cc1 ZINC000018199254 220227795 /nfs/dbraw/zinc/22/77/95/220227795.db2.gz FIGRHSNFIWXENI-LJQANCHMSA-N 0 0 353.849 5.246 50 30 FKEARN O=C(c1ccccc1)C(C(=O)c1ccccc1)c1ccc2ccccc2n1 ZINC000018207599 263373425 /nfs/dbraw/zinc/37/34/25/263373425.db2.gz BJXLOGJKRRHANH-GHVJWSGMSA-N 0 0 351.405 5.544 50 30 FKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cc(F)ccc1F ZINC000018244212 220229113 /nfs/dbraw/zinc/22/91/13/220229113.db2.gz KNGRLNBPIHYURM-HXUWFJFHSA-N 0 0 354.400 5.187 50 30 FKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cc(F)ccc1F ZINC000018244214 220229654 /nfs/dbraw/zinc/22/96/54/220229654.db2.gz KNGRLNBPIHYURM-FQEVSTJZSA-N 0 0 354.400 5.187 50 30 FKEARN O=C1c2ccccc2C2=C1[C@H](c1cccc(Cl)c1)C1=C(CCCC1=O)N2 ZINC000018249466 204663250 /nfs/dbraw/zinc/66/32/50/204663250.db2.gz FVDFWXGABANNLT-GOSISDBHSA-N 0 0 361.828 5.482 50 30 FKEARN Clc1ccccc1/N=C/c1ccc(/C=N/c2ccccc2Cl)cc1 ZINC000018251810 211195749 /nfs/dbraw/zinc/19/57/49/211195749.db2.gz PZGVNFWUAIWZMQ-RNIAWFEPSA-N 0 0 353.252 6.495 50 30 FKEARN Cc1ccc(NC=C2C(=O)CC(c3ccc(C(C)(C)C)cc3)CC2=O)cc1 ZINC000018254557 570877814 /nfs/dbraw/zinc/87/78/14/570877814.db2.gz RVTBCJNHVOUFDQ-BIKZULFDSA-N 0 0 361.485 5.954 50 30 FKEARN O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C/c1ccccc1F ZINC000018272467 220230422 /nfs/dbraw/zinc/23/04/22/220230422.db2.gz XUZTWLXIMCALFG-MDWZMJQESA-N 0 0 367.232 5.024 50 30 FKEARN CCCN(CCC)c1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N ZINC000018276573 207635130 /nfs/dbraw/zinc/63/51/30/207635130.db2.gz PDGFZHAEZIOIRO-UHFFFAOYSA-N 0 0 355.485 5.914 50 30 FKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1cccnc1)Nc1ccccc1N2 ZINC000018276642 570877956 /nfs/dbraw/zinc/87/79/56/570877956.db2.gz GYJVSRHQFCTWSW-MHECFPHRSA-N 0 0 367.452 5.061 50 30 FKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1cccnc1)Nc1ccccc1N2 ZINC000018276644 570877960 /nfs/dbraw/zinc/87/79/60/570877960.db2.gz GYJVSRHQFCTWSW-HOYKHHGWSA-N 0 0 367.452 5.061 50 30 FKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1cccnc1)Nc1ccccc1N2 ZINC000018276646 211197333 /nfs/dbraw/zinc/19/73/33/211197333.db2.gz GYJVSRHQFCTWSW-UUOWRZLLSA-N 0 0 367.452 5.061 50 30 FKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1cccnc1)Nc1ccccc1N2 ZINC000018276648 211198074 /nfs/dbraw/zinc/19/80/74/211198074.db2.gz GYJVSRHQFCTWSW-KOSHJBKYSA-N 0 0 367.452 5.061 50 30 FKEARN CCCCc1nc(N)c(C#N)c(-c2cccc(Br)c2)c1CCC ZINC000018276762 220232026 /nfs/dbraw/zinc/23/20/26/220232026.db2.gz ZKYKMEYQJFZOCB-UHFFFAOYSA-N 0 0 372.310 5.260 50 30 FKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1c[nH]c2ccccc21 ZINC000018277048 570877749 /nfs/dbraw/zinc/87/77/49/570877749.db2.gz LTNCYQFXOBZKNO-JOCHJYFZSA-N 0 0 357.457 5.390 50 30 FKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1c[nH]c2ccccc21 ZINC000018277049 220232335 /nfs/dbraw/zinc/23/23/35/220232335.db2.gz LTNCYQFXOBZKNO-QFIPXVFZSA-N 0 0 357.457 5.390 50 30 FKEARN O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3ccc(O)cc3)C12 ZINC000018285303 207634889 /nfs/dbraw/zinc/63/48/89/207634889.db2.gz MODAMNKNAAZQCP-QFIPXVFZSA-N 0 0 357.434 5.259 50 30 FKEARN O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3ccc(O)cc3)C12 ZINC000018285307 211197813 /nfs/dbraw/zinc/19/78/13/211197813.db2.gz MODAMNKNAAZQCP-JOCHJYFZSA-N 0 0 357.434 5.259 50 30 FKEARN O=C1C(=C2CCCCC2)CCC[C@@H]1C[C@@H]1CCCC(=C2CCCCC2)C1=O ZINC000018323127 220231559 /nfs/dbraw/zinc/23/15/59/220231559.db2.gz BXVNLOQSERTELE-OYRHEFFESA-N 0 0 368.561 6.636 50 30 FKEARN C=CCN(C(=O)c1cc2ccccc2s1)c1nc2c(s1)CCCC2 ZINC000018698678 220230975 /nfs/dbraw/zinc/23/09/75/220230975.db2.gz NIBZGPBAXDBXSH-UHFFFAOYSA-N 0 0 354.500 5.069 50 30 FKEARN CC1(C)Cc2c(C#N)c(NCc3ccccc3)nc(-c3ccccc3)c2CO1 ZINC000019204563 211207535 /nfs/dbraw/zinc/20/75/35/211207535.db2.gz XYQIQRLXBKSSSE-UHFFFAOYSA-N 0 0 369.468 5.084 50 30 FKEARN C=CCSc1ccccc1NC(=O)c1cc(F)c(Cl)cc1Cl ZINC000019295838 571140731 /nfs/dbraw/zinc/14/07/31/571140731.db2.gz DNATUNJFFHAJDP-UHFFFAOYSA-N 0 0 356.249 5.663 50 30 FKEARN N#Cc1c(NCc2ccccc2)ccnc1SCc1ccc(Cl)cc1 ZINC000019595387 571326616 /nfs/dbraw/zinc/32/66/16/571326616.db2.gz YGJKHCQUBWPQSN-UHFFFAOYSA-N 0 0 365.889 5.511 50 30 FKEARN N#Cc1c(Cl)nc(NC23CC4CC(CC(C4)C2)C3)c(Cl)c1Cl ZINC000019595407 220281366 /nfs/dbraw/zinc/28/13/66/220281366.db2.gz LIIUNCOQNQQGFQ-UHFFFAOYSA-N 0 0 356.684 5.294 50 30 FKEARN CCCCCc1nc(N)c(C#N)c(-c2ccccc2Cl)c1CCCC ZINC000019608446 220280919 /nfs/dbraw/zinc/28/09/19/220280919.db2.gz IHNBRCMXSBZXNF-UHFFFAOYSA-N 0 0 355.913 5.931 50 30 FKEARN CCCCCc1nc(N)c(C#N)c(-c2ccc([N+](=O)[O-])cc2)c1CCCC ZINC000019708258 571327170 /nfs/dbraw/zinc/32/71/70/571327170.db2.gz SVKABUGNQALKCM-UHFFFAOYSA-N 0 0 366.465 5.186 50 30 FKEARN Cc1cccc([C@H]2C3=C(CC(C)(C)CC3=O)N=C3c4ccccc4C(=O)[C@H]32)c1 ZINC000019720747 570901366 /nfs/dbraw/zinc/90/13/66/570901366.db2.gz JMGYMTPWXNAQKQ-UNMCSNQZSA-N 0 0 369.464 5.037 50 30 FKEARN Cc1cccc([C@@H]2C3=C(CC(C)(C)CC3=O)N=C3c4ccccc4C(=O)[C@H]32)c1 ZINC000019720748 570901345 /nfs/dbraw/zinc/90/13/45/570901345.db2.gz JMGYMTPWXNAQKQ-IRLDBZIGSA-N 0 0 369.464 5.037 50 30 FKEARN CCCCCc1nc(N)c(C#N)c(-c2ccc(Cl)cc2)c1CCCC ZINC000019731038 220291653 /nfs/dbraw/zinc/29/16/53/220291653.db2.gz DXSDYSBJPIIINX-UHFFFAOYSA-N 0 0 355.913 5.931 50 30 FKEARN CC(=O)C1=C(C)NC(C)=C(C(C)=O)C1c1ccc(-c2ccccc2Cl)o1 ZINC000019790435 204706916 /nfs/dbraw/zinc/70/69/16/204706916.db2.gz JVDHZFKQTDZURL-UHFFFAOYSA-N 0 0 369.848 5.013 50 30 FKEARN CN[C@]1(c2ccccc2)Oc2ccccc2C(C#Cc2ccc(C)cc2)=C1C ZINC000019792982 210157507 /nfs/dbraw/zinc/15/75/07/210157507.db2.gz QCJXFRJCDSLUKQ-SANMLTNESA-N 0 0 365.476 5.285 50 30 FKEARN CSc1nc(Nc2cccc(C)c2)c(C#N)c(-c2ccc(Cl)cc2)n1 ZINC000019794122 211255173 /nfs/dbraw/zinc/25/51/73/211255173.db2.gz QHKZYGNZFZYSMW-UHFFFAOYSA-N 0 0 366.877 5.443 50 30 FKEARN CSc1nc(Nc2ccc(C)cc2)c(C#N)c(-c2ccc(Cl)cc2)n1 ZINC000019794123 211255541 /nfs/dbraw/zinc/25/55/41/211255541.db2.gz RUSUBMGVPLXIAM-UHFFFAOYSA-N 0 0 366.877 5.443 50 30 FKEARN CSc1nc(NC2CCCCC2)c(C#N)c(-c2ccc(Cl)cc2)n1 ZINC000019794131 211254609 /nfs/dbraw/zinc/25/46/09/211254609.db2.gz YJMATNNPPDHRPP-UHFFFAOYSA-N 0 0 358.898 5.135 50 30 FKEARN CCCN(CCC)c1nc(SC)nc(-c2ccc(Cl)cc2)c1C#N ZINC000019794133 211254897 /nfs/dbraw/zinc/25/48/97/211254897.db2.gz AADACQFKXLWSLD-UHFFFAOYSA-N 0 0 360.914 5.017 50 30 FKEARN N#Cc1c(N)nc2c(c1-c1sc(Cl)cc1Cl)CCCCCC2 ZINC000019805464 207713534 /nfs/dbraw/zinc/71/35/34/207713534.db2.gz UPFKOZHNLCPCKJ-UHFFFAOYSA-N 0 0 352.290 5.230 50 30 FKEARN COc1ccc(-c2cc(-c3ccccc3)nc(N3CCCCC3)c2C#N)cc1 ZINC000019805470 570903688 /nfs/dbraw/zinc/90/36/88/570903688.db2.gz VVKXLGTURWAIHQ-UHFFFAOYSA-N 0 0 369.468 5.286 50 30 FKEARN O=C1/C(=C/c2ccccc2)CN(Cc2ccccc2)C/C1=C\c1ccccc1 ZINC000019818354 570903806 /nfs/dbraw/zinc/90/38/06/570903806.db2.gz VATOZJIGHBQVFX-MUPYBJATSA-N 0 0 365.476 5.239 50 30 FKEARN CSc1nc(NCC(C)C)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 ZINC000019820331 571327356 /nfs/dbraw/zinc/32/73/56/571327356.db2.gz JOFVOTUXSSBUHY-UHFFFAOYSA-N 0 0 354.523 5.103 50 30 FKEARN CCCCN(C)c1nc(SC)nc(-c2ccc(C(C)(C)C)cc2)c1C#N ZINC000019820335 520436068 /nfs/dbraw/zinc/43/60/68/520436068.db2.gz RTPTYLUEIJTMCP-UHFFFAOYSA-N 0 0 368.550 5.271 50 30 FKEARN CC[C@@H](C)Nc1nc(SC)nc(-c2ccc(C(C)(C)C)cc2)c1C#N ZINC000019820347 220297849 /nfs/dbraw/zinc/29/78/49/220297849.db2.gz RNCYQLHZDQRSRY-CYBMUJFWSA-N 0 0 354.523 5.245 50 30 FKEARN CC[C@H](C)Nc1nc(SC)nc(-c2ccc(C(C)(C)C)cc2)c1C#N ZINC000019820349 211257585 /nfs/dbraw/zinc/25/75/85/211257585.db2.gz RNCYQLHZDQRSRY-ZDUSSCGKSA-N 0 0 354.523 5.245 50 30 FKEARN CSc1nc(NC2CCCC2)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 ZINC000019820383 220299437 /nfs/dbraw/zinc/29/94/37/220299437.db2.gz JLQUXWDZLDXXIA-UHFFFAOYSA-N 0 0 366.534 5.389 50 30 FKEARN CSc1nc(NC(C)(C)C)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 ZINC000019820413 204709985 /nfs/dbraw/zinc/70/99/85/204709985.db2.gz DZNONZWQHQZZEA-UHFFFAOYSA-N 0 0 354.523 5.245 50 30 FKEARN CSc1nc(Nc2ccccc2)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 ZINC000019820415 211256954 /nfs/dbraw/zinc/25/69/54/211256954.db2.gz ODLYRMZKGGMMOJ-UHFFFAOYSA-N 0 0 374.513 5.778 50 30 FKEARN CCN(Cc1ccccc1)c1nc(SC)nc(-c2ccc(C)cc2)c1C#N ZINC000019820418 521376725 /nfs/dbraw/zinc/37/67/25/521376725.db2.gz LMTPQWUXVDZODH-UHFFFAOYSA-N 0 0 374.513 5.072 50 30 FKEARN CSc1nc(Nc2ccccc2F)c(C#N)c(-c2ccc(Cl)cc2)n1 ZINC000019820490 571327381 /nfs/dbraw/zinc/32/73/81/571327381.db2.gz AKSAXNDUCMKATR-UHFFFAOYSA-N 0 0 370.840 5.273 50 30 FKEARN CSc1nc(Nc2ccccc2)c(C#N)c(-c2ccc(Cl)cc2)n1 ZINC000019820588 571327399 /nfs/dbraw/zinc/32/73/99/571327399.db2.gz NOVXPRYIJAGHJG-UHFFFAOYSA-N 0 0 352.850 5.134 50 30 FKEARN CSc1nc(N[C@@H]2CCCC[C@@H]2C)c(C#N)c(-c2ccc(Cl)cc2)n1 ZINC000019820604 571327370 /nfs/dbraw/zinc/32/73/70/571327370.db2.gz LPDHEUAYGQADJL-BLLLJJGKSA-N 0 0 372.925 5.381 50 30 FKEARN CSc1nc(N[C@H]2CCCC[C@@H]2C)c(C#N)c(-c2ccc(Cl)cc2)n1 ZINC000019820606 220299473 /nfs/dbraw/zinc/29/94/73/220299473.db2.gz LPDHEUAYGQADJL-LRDDRELGSA-N 0 0 372.925 5.381 50 30 FKEARN CSc1nc(N[C@@H]2CCCC[C@H]2C)c(C#N)c(-c2ccc(Cl)cc2)n1 ZINC000019820608 211256916 /nfs/dbraw/zinc/25/69/16/211256916.db2.gz LPDHEUAYGQADJL-MLGOLLRUSA-N 0 0 372.925 5.381 50 30 FKEARN CSc1nc(N[C@H]2CCCC[C@H]2C)c(C#N)c(-c2ccc(Cl)cc2)n1 ZINC000019820610 571327368 /nfs/dbraw/zinc/32/73/68/571327368.db2.gz LPDHEUAYGQADJL-WBMJQRKESA-N 0 0 372.925 5.381 50 30 FKEARN CSc1nc(Nc2cccc(F)c2)c(C#N)c(-c2ccc(Cl)cc2)n1 ZINC000019820628 211257437 /nfs/dbraw/zinc/25/74/37/211257437.db2.gz WVHLPFMZFAGLPO-UHFFFAOYSA-N 0 0 370.840 5.273 50 30 FKEARN CSc1nc(-c2ccc(C)cc2)c(C#N)c(N2CCCc3ccccc32)n1 ZINC000019820653 132892726 /nfs/dbraw/zinc/89/27/26/132892726.db2.gz BPJDRWASYBXEKH-UHFFFAOYSA-N 0 0 372.497 5.130 50 30 FKEARN CSc1nc(NCCC2=CCCCC2)c(C#N)c(-c2ccc(C)cc2)n1 ZINC000019820673 526215384 /nfs/dbraw/zinc/21/53/84/526215384.db2.gz LXNZIWUUSGAMPN-UHFFFAOYSA-N 0 0 364.518 5.348 50 30 FKEARN CSc1nc(N[C@@H]2CCCC[C@@H]2C)c(C#N)c(-c2ccc(C)cc2)n1 ZINC000019820731 571327405 /nfs/dbraw/zinc/32/74/05/571327405.db2.gz LQEYCOYCKDVOAN-WMLDXEAASA-N 0 0 352.507 5.036 50 30 FKEARN CSc1nc(N[C@H]2CCCC[C@@H]2C)c(C#N)c(-c2ccc(C)cc2)n1 ZINC000019820733 211256855 /nfs/dbraw/zinc/25/68/55/211256855.db2.gz LQEYCOYCKDVOAN-YOEHRIQHSA-N 0 0 352.507 5.036 50 30 FKEARN CSc1nc(N[C@@H]2CCCC[C@H]2C)c(C#N)c(-c2ccc(C)cc2)n1 ZINC000019820735 220299199 /nfs/dbraw/zinc/29/91/99/220299199.db2.gz LQEYCOYCKDVOAN-RHSMWYFYSA-N 0 0 352.507 5.036 50 30 FKEARN CSc1nc(N[C@H]2CCCC[C@H]2C)c(C#N)c(-c2ccc(C)cc2)n1 ZINC000019820737 220298702 /nfs/dbraw/zinc/29/87/02/220298702.db2.gz LQEYCOYCKDVOAN-PBHICJAKSA-N 0 0 352.507 5.036 50 30 FKEARN CSc1nc(Nc2ccc(C(C)C)cc2)c(C#N)c(-c2ccc(C)cc2)n1 ZINC000019820757 571327412 /nfs/dbraw/zinc/32/74/12/571327412.db2.gz VWDCVFNXIPPFJX-UHFFFAOYSA-N 0 0 374.513 5.913 50 30 FKEARN CCCCc1ccc(Nc2nc(SC)nc(-c3ccccc3)c2C#N)cc1 ZINC000019820761 521285444 /nfs/dbraw/zinc/28/54/44/521285444.db2.gz HALNFKGRWLWHAO-UHFFFAOYSA-N 0 0 374.513 5.823 50 30 FKEARN CSc1nc(Nc2ccc(C(C)(C)C)cc2)c(C#N)c(-c2ccccc2)n1 ZINC000019820770 571327409 /nfs/dbraw/zinc/32/74/09/571327409.db2.gz BEGVCVBFUVPFOG-UHFFFAOYSA-N 0 0 374.513 5.778 50 30 FKEARN CSc1nc(NCCC2=CCCCC2)c(C#N)c(-c2ccccc2)n1 ZINC000019820772 526214365 /nfs/dbraw/zinc/21/43/65/526214365.db2.gz IIQOTTDALKLMRF-UHFFFAOYSA-N 0 0 350.491 5.040 50 30 FKEARN CSc1nc(NCc2ccc(Cl)cc2)c(C#N)c(-c2ccccc2)n1 ZINC000019820778 211256613 /nfs/dbraw/zinc/25/66/13/211256613.db2.gz ZBSUXODAHJSPFC-UHFFFAOYSA-N 0 0 366.877 5.003 50 30 FKEARN CCCc1nc(N)c(C#N)c(-c2ccc(OCc3ccccc3)cc2)c1CC ZINC000019827393 220302384 /nfs/dbraw/zinc/30/23/84/220302384.db2.gz BJNCUSVTEANIGK-UHFFFAOYSA-N 0 0 371.484 5.296 50 30 FKEARN COc1ccc(-c2cc(-c3ccc(Cl)c(Cl)c3)nc(N)c2C#N)cc1 ZINC000019832264 211257524 /nfs/dbraw/zinc/25/75/24/211257524.db2.gz YAJUNKUTBISEFV-UHFFFAOYSA-N 0 0 370.239 5.185 50 30 FKEARN CCCCCc1nc(N)c(C#N)c(-c2ccccc2OC)c1CCCC ZINC000019832276 571327396 /nfs/dbraw/zinc/32/73/96/571327396.db2.gz CJCBMYRJKBWTAB-UHFFFAOYSA-N 0 0 351.494 5.286 50 30 FKEARN N#Cc1c(N)nc2c3cc4c(nc3sc2c1-c1ccccc1)CCCCC4 ZINC000019832373 571327390 /nfs/dbraw/zinc/32/73/90/571327390.db2.gz PFOFIPLDUWUDAW-UHFFFAOYSA-N 0 0 370.481 5.234 50 30 FKEARN COc1ccccc1-c1cc(-c2ccc(Cl)cc2Cl)nc(N)c1C#N ZINC000019848182 211258966 /nfs/dbraw/zinc/25/89/66/211258966.db2.gz BZEVNOWFHICJAQ-UHFFFAOYSA-N 0 0 370.239 5.185 50 30 FKEARN N#Cc1c(C(F)F)cc(Cc2ccccc2)nc1SCc1cccnc1 ZINC000019853603 526517627 /nfs/dbraw/zinc/51/76/27/526517627.db2.gz DUCDPXGTBFEBTF-UHFFFAOYSA-N 0 0 367.424 5.169 50 30 FKEARN N#Cc1c(N)nc2c(c1-c1cccc(Oc3ccccc3)c1)CCCCC2 ZINC000019857671 211259264 /nfs/dbraw/zinc/25/92/64/211259264.db2.gz ZAGAWAXBHFQFEP-UHFFFAOYSA-N 0 0 355.441 5.264 50 30 FKEARN CCCCc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 ZINC000019877707 571308220 /nfs/dbraw/zinc/30/82/20/571308220.db2.gz QZWBFCYUAQZWGH-UHFFFAOYSA-N 0 0 370.452 5.945 50 30 FKEARN N#Cc1c2c(c(Nc3ccccc3Cl)n3c4ccccc4nc13)CCC2 ZINC000019893183 571327671 /nfs/dbraw/zinc/32/76/71/571327671.db2.gz QJPBXXVDTJHSDE-UHFFFAOYSA-N 0 0 358.832 5.245 50 30 FKEARN CC(=O)C1=C(C)NC(C)=C(C(C)=O)C1c1ccc(-c2ccc(Cl)cc2)o1 ZINC000019912776 211261075 /nfs/dbraw/zinc/26/10/75/211261075.db2.gz COJISDZWLLPVIG-UHFFFAOYSA-N 0 0 369.848 5.013 50 30 FKEARN N#CC1(C#N)[C@@H](c2ccccc2)[C@@H](c2ccccc2)[C@H]2c3ccccc3C=CN21 ZINC000019923664 570906518 /nfs/dbraw/zinc/90/65/18/570906518.db2.gz WHKQZNQVYSYXJO-DSNGMDLFSA-N 0 0 373.459 5.381 50 30 FKEARN N#CC1(C#N)[C@H](c2ccccc2)[C@@H](c2ccccc2)[C@H]2c3ccccc3C=CN21 ZINC000019923666 570906232 /nfs/dbraw/zinc/90/62/32/570906232.db2.gz WHKQZNQVYSYXJO-UBFVSLLYSA-N 0 0 373.459 5.381 50 30 FKEARN N#CC1(C#N)[C@@H](c2ccccc2)[C@H](c2ccccc2)[C@H]2c3ccccc3C=CN21 ZINC000019923668 570906341 /nfs/dbraw/zinc/90/63/41/570906341.db2.gz WHKQZNQVYSYXJO-CCDWMCETSA-N 0 0 373.459 5.381 50 30 FKEARN N#CC1(C#N)[C@H](c2ccccc2)[C@H](c2ccccc2)[C@H]2c3ccccc3C=CN21 ZINC000019923670 570906491 /nfs/dbraw/zinc/90/64/91/570906491.db2.gz WHKQZNQVYSYXJO-ISJGIBHGSA-N 0 0 373.459 5.381 50 30 FKEARN CCCCCCNc1nc(-c2ccco2)c2c(c1C#N)CC(C)(C)OC2 ZINC000019939976 520096101 /nfs/dbraw/zinc/09/61/01/520096101.db2.gz WQKBSVUOJQXKOO-UHFFFAOYSA-N 0 0 353.466 5.057 50 30 FKEARN COc1ccc(-c2ccc(C#N)c(SCc3ccc(F)cc3)n2)cc1 ZINC000019957041 220306644 /nfs/dbraw/zinc/30/66/44/220306644.db2.gz OOQOHELNHVZTBI-UHFFFAOYSA-N 0 0 350.418 5.060 50 30 FKEARN O=C(C1=CS[C@@](Cc2ccccc2)(c2ccccc2)S1)c1ccccc1 ZINC000020068818 570909499 /nfs/dbraw/zinc/90/94/99/570909499.db2.gz KKQLWAMIKXJFAG-HSZRJFAPSA-N 0 0 374.530 6.286 50 30 FKEARN O=C(C1=CS[C@](Cc2ccccc2)(c2ccccc2)S1)c1ccccc1 ZINC000020068820 570909551 /nfs/dbraw/zinc/90/95/51/570909551.db2.gz KKQLWAMIKXJFAG-QHCPKHFHSA-N 0 0 374.530 6.286 50 30 FKEARN Cc1nn(Cc2ccccc2)c(C)c1/C=N/c1ccc(Br)cc1 ZINC000020103603 211268967 /nfs/dbraw/zinc/26/89/67/211268967.db2.gz WBQYVDMLVULIRO-CIAFOILYSA-N 0 0 368.278 5.061 50 30 FKEARN CCc1ccc(/C=C2\CN(C(C)C)C/C(=C\c3ccc(CC)cc3)C2=O)cc1 ZINC000020115385 220314511 /nfs/dbraw/zinc/31/45/11/220314511.db2.gz VZZNHZDEGWIGAR-FEZYOMQXSA-N 0 0 373.540 5.572 50 30 FKEARN CCN1C/C(=C\c2ccc(Cl)cc2)C(=O)/C(=C\c2ccc(Cl)cc2)C1 ZINC000020115513 570910326 /nfs/dbraw/zinc/91/03/26/570910326.db2.gz 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ZINC000020387930 571329009 /nfs/dbraw/zinc/32/90/09/571329009.db2.gz UJGSFZGTYSLTAW-UHFFFAOYSA-N 0 0 353.775 5.139 50 30 FKEARN COc1ccc(-c2cc(-c3ccc(Cl)cc3Cl)c(C#N)c(N)n2)cc1 ZINC000020389359 571329180 /nfs/dbraw/zinc/32/91/80/571329180.db2.gz PYMHJFAIYKIPRK-UHFFFAOYSA-N 0 0 370.239 5.185 50 30 FKEARN N#Cc1c(N)nc(-c2ccc(Cl)cc2)cc1-c1c(Cl)cccc1Cl ZINC000020389366 220325301 /nfs/dbraw/zinc/32/53/01/220325301.db2.gz YRAZMKCQAIHOBV-UHFFFAOYSA-N 0 0 374.658 5.830 50 30 FKEARN N#Cc1c(N)nc(-c2ccc(Cl)c(Cl)c2)cc1-c1ccc(Cl)cc1 ZINC000020389387 211277330 /nfs/dbraw/zinc/27/73/30/211277330.db2.gz XVQOVRORWRQKHK-UHFFFAOYSA-N 0 0 374.658 5.830 50 30 FKEARN N#Cc1c(N)nc(-c2ccc(Cl)cc2Cl)cc1-c1ccc(Cl)cc1 ZINC000020389406 220325569 /nfs/dbraw/zinc/32/55/69/220325569.db2.gz ICUFSVGAPXTSBB-UHFFFAOYSA-N 0 0 374.658 5.830 50 30 FKEARN Cc1c(-c2ccc(Cl)cc2)nc(N)c(C#N)c1-c1ccccc1Cl ZINC000020404879 220325831 /nfs/dbraw/zinc/32/58/31/220325831.db2.gz NTLOFGGLEUASNP-UHFFFAOYSA-N 0 0 354.240 5.485 50 30 FKEARN Cc1ccccc1/C(O)=N/c1c(=O)oc2ccccc2c1NC1CCCC1 ZINC000020418422 570915673 /nfs/dbraw/zinc/91/56/73/570915673.db2.gz AAKUUVCZJGQBMZ-UHFFFAOYSA-N 0 0 362.429 5.092 50 30 FKEARN C=C(C)CNC(=S)N(Cc1ccccc1)Cc1ccc(C(C)C)cc1 ZINC000020423777 571141370 /nfs/dbraw/zinc/14/13/70/571141370.db2.gz GUUOMRGEDKIYMG-UHFFFAOYSA-N 0 0 352.547 5.263 50 30 FKEARN CCOc1ccc(-c2cc(NC(=Nc3ccccc3C)SC)[nH]n2)cc1 ZINC000020440133 263380762 /nfs/dbraw/zinc/38/07/62/263380762.db2.gz BGXTZYAIHJNCHC-UHFFFAOYSA-N 0 0 366.490 5.246 50 30 FKEARN Cc1ccc(/C=C2\CN(C(C)C)C/C(=C\c3ccc(C)cc3C)C2=O)c(C)c1 ZINC000020470078 211282089 /nfs/dbraw/zinc/28/20/89/211282089.db2.gz OHRZGORZSCYUCT-GUJRAXHGSA-N 0 0 373.540 5.680 50 30 FKEARN CC(C)N1C/C(=C\C=C\c2ccccc2)C(=O)/C(=C/C=C/c2ccccc2)C1 ZINC000020470084 220327735 /nfs/dbraw/zinc/32/77/35/220327735.db2.gz VELSVGPILUXABZ-ZFYQWLEYSA-N 0 0 369.508 5.559 50 30 FKEARN O=C(Nc1c(=O)oc2ccccc2c1NCc1ccccc1)c1ccccc1 ZINC000020522753 211286174 /nfs/dbraw/zinc/28/61/74/211286174.db2.gz FEMZLYWHKOXCSP-UHFFFAOYSA-N 0 0 370.408 5.041 50 30 FKEARN O=C(Cc1cccs1)Nc1c(=O)oc2ccccc2c1NC1CCCC1 ZINC000020533773 207741787 /nfs/dbraw/zinc/74/17/87/207741787.db2.gz WLXDYXQZGRINHQ-UHFFFAOYSA-N 0 0 368.458 5.040 50 30 FKEARN CC1(C)[C@H]2CC[C@]1(C)/C(=N\OC(=O)COc1ccc(Cl)cc1Cl)C2 ZINC000020551692 520682107 /nfs/dbraw/zinc/68/21/07/520682107.db2.gz CKFQIOWNGZFDKW-WGZYAMBYSA-N 0 0 370.276 5.118 50 30 FKEARN Cc1cc(C(F)F)nc2sc3c(nc(N)c(C#N)c3-c3ccccc3)c21 ZINC000020602395 571331578 /nfs/dbraw/zinc/33/15/78/571331578.db2.gz LIRCMPMOUBDKPE-UHFFFAOYSA-N 0 0 366.396 5.211 50 30 FKEARN N#Cc1c(NC(=O)c2cc3c(s2)CCCC3)sc2c1CCCCC2 ZINC000020606445 571331529 /nfs/dbraw/zinc/33/15/29/571331529.db2.gz ZVKPFUGSWWXOCM-UHFFFAOYSA-N 0 0 356.516 5.081 50 30 FKEARN COc1ccc2c(c1)CC[C@H]1[C@@H]3C/C(=C\c4ccccc4)C(=O)[C@@]3(C)CC[C@H]21 ZINC000020607781 211288930 /nfs/dbraw/zinc/28/89/30/211288930.db2.gz NNZFUMSSDBUFQN-KNJANIHRSA-N 0 0 372.508 5.814 50 30 FKEARN COc1ccc2c(c1)CC[C@H]1[C@@H]3C/C(=C\c4ccccc4)C(=O)[C@]3(C)CC[C@H]21 ZINC000020607784 211290395 /nfs/dbraw/zinc/29/03/95/211290395.db2.gz NNZFUMSSDBUFQN-MWKAAFGWSA-N 0 0 372.508 5.814 50 30 FKEARN CC(C)c1ccc(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 ZINC000020607960 220336024 /nfs/dbraw/zinc/33/60/24/220336024.db2.gz NMHVSUIJDPABGG-OAHLLOKOSA-N 0 0 366.530 5.439 50 30 FKEARN CC(C)c1ccc(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 ZINC000020607962 211290111 /nfs/dbraw/zinc/29/01/11/211290111.db2.gz NMHVSUIJDPABGG-HNNXBMFYSA-N 0 0 366.530 5.439 50 30 FKEARN CC(NNc1ccc(C(C)(C)C)cc1)=C1Sc2ccccc2N=C1C ZINC000020615075 211291079 /nfs/dbraw/zinc/29/10/79/211291079.db2.gz JEMOZAJLVVFATH-HAHDFKILSA-N 0 0 351.519 6.221 50 30 FKEARN CCCC[NH+](CCCC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccco1)O2 ZINC000020646461 570922669 /nfs/dbraw/zinc/92/26/69/570922669.db2.gz XCZKYEHGLIXNSF-ZHZULCJRSA-N 0 0 369.461 5.004 50 30 FKEARN Cc1noc2c1[C@H](c1cccs1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 ZINC000020715199 571331652 /nfs/dbraw/zinc/33/16/52/571331652.db2.gz FIHZTGJVKQVMSS-XOBRGWDASA-N 0 0 362.454 5.003 50 30 FKEARN Cc1noc2c1[C@@H](c1cccs1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 ZINC000020715203 220339323 /nfs/dbraw/zinc/33/93/23/220339323.db2.gz FIHZTGJVKQVMSS-VBKZILBWSA-N 0 0 362.454 5.003 50 30 FKEARN Cc1noc2c1[C@H](c1cccs1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 ZINC000020715207 220339403 /nfs/dbraw/zinc/33/94/03/220339403.db2.gz FIHZTGJVKQVMSS-VLIAUNLRSA-N 0 0 362.454 5.003 50 30 FKEARN Cc1noc2c1[C@@H](c1cccs1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 ZINC000020715211 206343358 /nfs/dbraw/zinc/34/33/58/206343358.db2.gz FIHZTGJVKQVMSS-JLTOFOAXSA-N 0 0 362.454 5.003 50 30 FKEARN Cc1noc2c1[C@H](c1ccsc1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 ZINC000020736253 220340611 /nfs/dbraw/zinc/34/06/11/220340611.db2.gz WYOPRJGCNBLOIK-KXBFYZLASA-N 0 0 362.454 5.003 50 30 FKEARN Cc1noc2c1[C@@H](c1ccsc1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 ZINC000020736256 211294819 /nfs/dbraw/zinc/29/48/19/211294819.db2.gz WYOPRJGCNBLOIK-HNAYVOBHSA-N 0 0 362.454 5.003 50 30 FKEARN Cc1noc2c1[C@H](c1ccsc1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 ZINC000020736259 220340983 /nfs/dbraw/zinc/34/09/83/220340983.db2.gz WYOPRJGCNBLOIK-BEFAXECRSA-N 0 0 362.454 5.003 50 30 FKEARN Cc1noc2c1[C@@H](c1ccsc1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 ZINC000020736262 207752898 /nfs/dbraw/zinc/75/28/98/207752898.db2.gz WYOPRJGCNBLOIK-DNVCBOLYSA-N 0 0 362.454 5.003 50 30 FKEARN CCCCN(CCCC)c1nc(-c2ccco2)c2c(c1C#N)CCCC2 ZINC000020827222 571331750 /nfs/dbraw/zinc/33/17/50/571331750.db2.gz KTPKLZOLINSREV-UHFFFAOYSA-N 0 0 351.494 5.499 50 30 FKEARN CCCCN(CCCC)c1nc(C(C)C)c2c(c1C#N)CC(C)(C)OC2 ZINC000020827353 211297274 /nfs/dbraw/zinc/29/72/74/211297274.db2.gz DMZXIYGUJVMDQC-UHFFFAOYSA-N 0 0 357.542 5.335 50 30 FKEARN CCCCN(CCCC)c1nc(-c2ccccc2)c2c(c1C#N)CCCC2 ZINC000020827574 211297312 /nfs/dbraw/zinc/29/73/12/211297312.db2.gz GNNCQEZIHKISQT-UHFFFAOYSA-N 0 0 361.533 5.906 50 30 FKEARN CCCCN(CC)c1nc(-c2ccccc2)c2c(c1C#N)CC(C)(C)OC2 ZINC000020828816 571331723 /nfs/dbraw/zinc/33/17/23/571331723.db2.gz OJVOIUHKXAKQRI-UHFFFAOYSA-N 0 0 363.505 5.098 50 30 FKEARN CCCCCc1nc(N)c(C#N)c(-c2ccc(OC)cc2)c1CCCC ZINC000020841032 211297559 /nfs/dbraw/zinc/29/75/59/211297559.db2.gz SYZYHQPQLFCVPS-UHFFFAOYSA-N 0 0 351.494 5.286 50 30 FKEARN CCCCc1nc(N(CCC)CCC)c(C#N)c2c1CSC(C)(C)C2 ZINC000020841037 263382988 /nfs/dbraw/zinc/38/29/88/263382988.db2.gz VMFCMJTXRBMMCZ-UHFFFAOYSA-N 0 0 359.583 5.490 50 30 FKEARN CCCCCCNc1nc(-c2ccccc2)c2c(c1C#N)CC(C)(C)OC2 ZINC000020841215 520096387 /nfs/dbraw/zinc/09/63/87/520096387.db2.gz NMQZADCHUZYYLN-UHFFFAOYSA-N 0 0 363.505 5.464 50 30 FKEARN Cc1cccc2c1Oc1nn(-c3ccccc3)c(/N=C/c3ccccc3)c1C2 ZINC000020849574 220342971 /nfs/dbraw/zinc/34/29/71/220342971.db2.gz BJYMAGPOJUWFHS-PCLIKHOPSA-N 0 0 365.436 5.628 50 30 FKEARN C=CCOc1ccc(-c2nc3c(c(=S)[nH]2)Cc2cc(C)ccc2O3)cc1 ZINC000020861723 220343115 /nfs/dbraw/zinc/34/31/15/220343115.db2.gz BUQBWKQVIAHGAL-UHFFFAOYSA-N 0 0 362.454 5.376 50 30 FKEARN C=CCN(C(=O)c1cc2c(s1)-c1ccccc1SC2)c1ccccc1 ZINC000020865219 571331830 /nfs/dbraw/zinc/33/18/30/571331830.db2.gz KPLJNMYYGYMPKQ-UHFFFAOYSA-N 0 0 363.507 5.854 50 30 FKEARN C=CCOc1ccc(C(=O)Nc2nc3c(s2)C[C@H](C(C)(C)C)CC3)cc1 ZINC000020897447 220344564 /nfs/dbraw/zinc/34/45/64/220344564.db2.gz BACJIZQHNNCPMS-OAHLLOKOSA-N 0 0 370.518 5.111 50 30 FKEARN C=CCOc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](C(C)(C)C)CC3)cc1 ZINC000020897451 571141537 /nfs/dbraw/zinc/14/15/37/571141537.db2.gz BACJIZQHNNCPMS-HNNXBMFYSA-N 0 0 370.518 5.111 50 30 FKEARN C=CCOc1ccccc1[C@@H]1CC(=O)Nc2c(-c3ccccc3)csc21 ZINC000021157560 210155532 /nfs/dbraw/zinc/15/55/32/210155532.db2.gz NXOIEGYCRDXWAY-KRWDZBQOSA-N 0 0 361.466 5.454 50 30 FKEARN C=CCOc1ccccc1[C@H]1CC(=O)Nc2c(-c3ccccc3)csc21 ZINC000021157562 210157156 /nfs/dbraw/zinc/15/71/56/210157156.db2.gz NXOIEGYCRDXWAY-QGZVFWFLSA-N 0 0 361.466 5.454 50 30 FKEARN C=CCOc1ccc([C@@H]2CC(=O)Nc3c(-c4ccccc4)csc32)cc1 ZINC000021157599 203864213 /nfs/dbraw/zinc/86/42/13/203864213.db2.gz LUPSCQNEZAXKHB-SFHVURJKSA-N 0 0 361.466 5.454 50 30 FKEARN C=CCOc1ccc([C@H]2CC(=O)Nc3c(-c4ccccc4)csc32)cc1 ZINC000021157602 206746548 /nfs/dbraw/zinc/74/65/48/206746548.db2.gz LUPSCQNEZAXKHB-GOSISDBHSA-N 0 0 361.466 5.454 50 30 FKEARN CCOc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000021225581 220354893 /nfs/dbraw/zinc/35/48/93/220354893.db2.gz QQBFAVBJOBJSKG-QFIPXVFZSA-N 0 0 362.473 5.307 50 30 biogenic,in-vitro FKEARN CCOc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000021225585 560091961 /nfs/dbraw/zinc/09/19/61/560091961.db2.gz QQBFAVBJOBJSKG-JOCHJYFZSA-N 0 0 362.473 5.307 50 30 biogenic,in-vitro FKEARN Cc1cc(C)c(C)c(SCC(=O)Nc2ccccc2SCC#N)c1C ZINC000021281974 220356141 /nfs/dbraw/zinc/35/61/41/220356141.db2.gz NCTVGUDASVKICG-UHFFFAOYSA-N 0 0 370.543 5.267 50 30 FKEARN O=C1CCCC2=C1[C@@H](c1ccco1)N(Cc1ccccc1)c1ccccc1N2 ZINC000021356242 211312494 /nfs/dbraw/zinc/31/24/94/211312494.db2.gz LFZOHGIDDMLFBG-XMMPIXPASA-N 0 0 370.452 5.460 50 30 FKEARN O=C1CCCC2=C1[C@H](c1ccco1)N(Cc1ccccc1)c1ccccc1N2 ZINC000021356247 211312275 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Cc1ccc(C(=O)/C=C/c2nc3ccccc3n2Cc2ccccc2)cc1 ZINC000026462919 207917615 /nfs/dbraw/zinc/91/76/15/207917615.db2.gz GQKPJNVOWNWQHW-FOCLMDBBSA-N 0 0 352.437 5.289 50 30 FKEARN COc1ccc(Br)cc1C(=O)/C=C/c1cc2ccccc2o1 ZINC000026534188 203929472 /nfs/dbraw/zinc/92/94/72/203929472.db2.gz XYSIXSXYAOIIFQ-BQYQJAHWSA-N 0 0 357.203 5.100 50 30 FKEARN COc1ccc([C@H]2c3ccc4ccccc4c3NC3=C2C(=O)CCC3)cc1 ZINC000026963423 571009318 /nfs/dbraw/zinc/00/93/18/571009318.db2.gz CEVMXPMLMUFLDU-QFIPXVFZSA-N 0 0 355.437 5.413 50 30 FKEARN COc1ccc([C@@H]2c3ccc4ccccc4c3NC3=C2C(=O)CCC3)cc1 ZINC000026963433 571009225 /nfs/dbraw/zinc/00/92/25/571009225.db2.gz CEVMXPMLMUFLDU-JOCHJYFZSA-N 0 0 355.437 5.413 50 30 FKEARN COc1nc(-c2ccccc2)cc(-c2ccc(Cl)cc2Cl)c1C#N ZINC000027023324 571213017 /nfs/dbraw/zinc/21/30/17/571213017.db2.gz OESRAUZZSUXVPD-UHFFFAOYSA-N 0 0 355.224 5.603 50 30 FKEARN O=C(/C(=C\C=C\c1ccccc1)c1nc2ccccc2o1)c1cccnc1 ZINC000027023902 571213010 /nfs/dbraw/zinc/21/30/10/571213010.db2.gz 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/nfs/dbraw/zinc/46/47/83/211464783.db2.gz KWNHQMMCWWMHRR-BOPFTXTBSA-N 0 0 373.271 5.343 50 30 FKEARN CCCCC1CCC(c2nc(C#N)c(N=NCc3ccc(C)cc3)o2)CC1 ZINC000027562565 519921603 /nfs/dbraw/zinc/92/16/03/519921603.db2.gz KMPDLLQUUIQHHE-BUVRLJJBSA-N 0 0 364.493 5.765 50 30 FKEARN CCCCC1CCC(c2nc(C#N)c(N=NCc3ccccc3F)o2)CC1 ZINC000027562581 519921549 /nfs/dbraw/zinc/92/15/49/519921549.db2.gz WXRHYMKTGXWMKB-ZVHZXABRSA-N 0 0 368.456 5.595 50 30 FKEARN CCCCC1CCC(c2nc(C#N)c(N=NCc3ccc(F)cc3)o2)CC1 ZINC000027562595 519921572 /nfs/dbraw/zinc/92/15/72/519921572.db2.gz OUCCRQOFAQORKF-ZVHZXABRSA-N 0 0 368.456 5.595 50 30 FKEARN CCCCC1CCC(c2nc(C#N)c(N=NCc3cccs3)o2)CC1 ZINC000027562611 519921401 /nfs/dbraw/zinc/92/14/01/519921401.db2.gz MYQGJTFUOOGSLK-FYJGNVAPSA-N 0 0 356.495 5.518 50 30 FKEARN C=CCOc1ccc(C(=O)N(Cc2cccs2)c2ccc(C)cc2)cc1 ZINC000027584578 519023855 /nfs/dbraw/zinc/02/38/55/519023855.db2.gz CPUHUXBXNVDZMB-UHFFFAOYSA-N 0 0 363.482 5.468 50 30 FKEARN C=CCOc1ccc(C(=O)N(Cc2cccs2)c2ccc(F)cc2)cc1 ZINC000027584596 519023791 /nfs/dbraw/zinc/02/37/91/519023791.db2.gz UOKTXYVSCDVUIG-UHFFFAOYSA-N 0 0 367.445 5.299 50 30 FKEARN C=CCOc1ccc(C(=O)N(Cc2ccc(CC)cc2)c2ccccn2)cc1 ZINC000027661973 519025132 /nfs/dbraw/zinc/02/51/32/519025132.db2.gz PATXXICQFCTJQJ-UHFFFAOYSA-N 0 0 372.468 5.056 50 30 FKEARN N#Cc1nc(-c2ccccc2)oc1Sc1ccc(Br)cc1 ZINC000027663813 571319902 /nfs/dbraw/zinc/31/99/02/571319902.db2.gz GNBLQYHILSFGEM-UHFFFAOYSA-N 0 0 357.232 5.127 50 30 FKEARN C=CCOc1ccc(C(=O)N(Cc2ccco2)c2ccc(Cl)cc2)cc1 ZINC000027795305 519024753 /nfs/dbraw/zinc/02/47/53/519024753.db2.gz QMUOMRMPEBMJGX-UHFFFAOYSA-N 0 0 367.832 5.345 50 30 FKEARN Cc1noc2c1[C@H](c1cccc(C)c1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 ZINC000028051595 571337789 /nfs/dbraw/zinc/33/77/89/571337789.db2.gz GJRLCMSYTNPXPQ-GCJKJVERSA-N 0 0 370.452 5.250 50 30 FKEARN Cc1noc2c1[C@@H](c1cccc(C)c1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 ZINC000028051597 571337779 /nfs/dbraw/zinc/33/77/79/571337779.db2.gz GJRLCMSYTNPXPQ-XMSQKQJNSA-N 0 0 370.452 5.250 50 30 FKEARN Cc1noc2c1[C@H](c1cccc(C)c1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 ZINC000028051598 571337747 /nfs/dbraw/zinc/33/77/47/571337747.db2.gz GJRLCMSYTNPXPQ-AVRDEDQJSA-N 0 0 370.452 5.250 50 30 FKEARN Cc1noc2c1[C@@H](c1cccc(C)c1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 ZINC000028051600 571337795 /nfs/dbraw/zinc/33/77/95/571337795.db2.gz GJRLCMSYTNPXPQ-PGRDOPGGSA-N 0 0 370.452 5.250 50 30 FKEARN Cc1noc2c1[C@H](c1cccc(F)c1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 ZINC000028051602 571337770 /nfs/dbraw/zinc/33/77/70/571337770.db2.gz PLFQQLVHMZDUMX-KKSFZXQISA-N 0 0 374.415 5.080 50 30 FKEARN Cc1noc2c1[C@@H](c1cccc(F)c1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 ZINC000028051604 204874075 /nfs/dbraw/zinc/87/40/75/204874075.db2.gz PLFQQLVHMZDUMX-HRAATJIYSA-N 0 0 374.415 5.080 50 30 FKEARN Cc1noc2c1[C@H](c1cccc(F)c1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 ZINC000028051606 571337794 /nfs/dbraw/zinc/33/77/94/571337794.db2.gz PLFQQLVHMZDUMX-IERDGZPVSA-N 0 0 374.415 5.080 50 30 FKEARN Cc1noc2c1[C@@H](c1cccc(F)c1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 ZINC000028051607 220559786 /nfs/dbraw/zinc/55/97/86/220559786.db2.gz PLFQQLVHMZDUMX-IIBYNOLFSA-N 0 0 374.415 5.080 50 30 FKEARN Cc1oc(-c2cc(Cl)ccc2Cl)cc1C(=O)Nc1ccccc1C#N ZINC000028166601 571338219 /nfs/dbraw/zinc/33/82/19/571338219.db2.gz KZPQKSHYTNSBAJ-UHFFFAOYSA-N 0 0 371.223 5.686 50 30 FKEARN C=C(C)COc1ccc2c(c1)O/C(=C\c1cn(CC)c3ccccc13)C2=O ZINC000028182688 571338342 /nfs/dbraw/zinc/33/83/42/571338342.db2.gz JQCASQXEZMQFFV-JJFYIABZSA-N 0 0 359.425 5.232 50 30 FKEARN CC(C)=CCOc1ccc2c(c1C)O/C(=C\c1cn(C)c3ccccc13)C2=O ZINC000028182690 220560766 /nfs/dbraw/zinc/56/07/66/220560766.db2.gz STRYQUOSJQZXHI-XKZIYDEJSA-N 0 0 373.452 5.448 50 30 FKEARN CCn1cc(/C=C2\Oc3cc(OCC=C(C)C)ccc3C2=O)c2ccccc21 ZINC000028182724 571338364 /nfs/dbraw/zinc/33/83/64/571338364.db2.gz OOXWFRLPVNUBKF-QRVIBDJDSA-N 0 0 373.452 5.622 50 30 FKEARN CC(C)=CCOc1ccc2c(c1)O/C(=C\c1cn(C)c3ccccc13)C2=O ZINC000028182726 210243336 /nfs/dbraw/zinc/24/33/36/210243336.db2.gz BQXPRJCXRJQDHA-UUYOSTAYSA-N 0 0 359.425 5.140 50 30 FKEARN C=C(C)COc1ccc2c(c1C)O/C(=C\c1cn(C)c3ccccc13)C2=O ZINC000028182736 571338383 /nfs/dbraw/zinc/33/83/83/571338383.db2.gz NFTNYKVRZWTBBR-NHDPSOOVSA-N 0 0 359.425 5.058 50 30 FKEARN C=C(C)COc1ccc2c(c1C)O/C(=C\c1cn(CC)c3ccccc13)C2=O ZINC000028182738 210242952 /nfs/dbraw/zinc/24/29/52/210242952.db2.gz AFVCVKATMFMRMD-UUYOSTAYSA-N 0 0 373.452 5.541 50 30 FKEARN CCc1c(C)sc(NC(=O)c2cc(SC)ccc2Cl)c1C#N ZINC000028226490 571338542 /nfs/dbraw/zinc/33/85/42/571338542.db2.gz QRMBFYXQGKARLN-UHFFFAOYSA-N 0 0 350.896 5.118 50 30 FKEARN N#Cc1c(NC(=O)c2ccc(OC3CCCC3)cc2)sc2c1CCCC2 ZINC000028228487 571338454 /nfs/dbraw/zinc/33/84/54/571338454.db2.gz PASMRWIGWRRPOT-UHFFFAOYSA-N 0 0 366.486 5.072 50 30 FKEARN C=CCc1ccccc1OCc1ccc(C(=O)Nc2c(C)cccc2C)o1 ZINC000028236792 519147307 /nfs/dbraw/zinc/14/73/07/519147307.db2.gz BAJYQQZNRZSLDG-UHFFFAOYSA-N 0 0 361.441 5.456 50 30 FKEARN C=CCc1ccccc1OCc1ccc(C(=O)Nc2ccc(C)cc2C)o1 ZINC000028237163 519146921 /nfs/dbraw/zinc/14/69/21/519146921.db2.gz KMTILTMVHSMZPX-UHFFFAOYSA-N 0 0 361.441 5.456 50 30 FKEARN Cc1cc(=O)oc2cc(OC(=O)/N=C(/c3ccccc3)C(C)(C)C)ccc12 ZINC000028293922 571338959 /nfs/dbraw/zinc/33/89/59/571338959.db2.gz KGFXTCCNJFLWNR-ATJXCDBQSA-N 0 0 363.413 5.136 50 30 FKEARN O=C1c2ccccc2C/C1=C\c1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000028297227 571031473 /nfs/dbraw/zinc/03/14/73/571031473.db2.gz XGEDGBUGEHQCAN-XMHGGMMESA-N 0 0 367.423 5.651 50 30 FKEARN N#Cc1nc(-c2cccs2)oc1Sc1ccc(Br)cc1 ZINC000028405563 571339149 /nfs/dbraw/zinc/33/91/49/571339149.db2.gz CXXZSMWTWRWAAH-UHFFFAOYSA-N 0 0 363.261 5.188 50 30 FKEARN Cc1ccc(C(=N)Nc2sc(-c3ccccc3)nc2-c2ccccc2)cc1 ZINC000028405834 220572814 /nfs/dbraw/zinc/57/28/14/220572814.db2.gz NEZANBQUHPTHNA-UHFFFAOYSA-N 0 0 369.493 5.823 50 30 FKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)Nc3cccc4ccccc43)sc2C1 ZINC000028579355 571339846 /nfs/dbraw/zinc/33/98/46/571339846.db2.gz KCMYZZZGBFAWIZ-CYBMUJFWSA-N 0 0 361.470 5.542 50 30 FKEARN C[C@H]1CCc2c(C#N)c(NC(=O)Nc3cccc4ccccc43)sc2C1 ZINC000028579356 571339867 /nfs/dbraw/zinc/33/98/67/571339867.db2.gz KCMYZZZGBFAWIZ-ZDUSSCGKSA-N 0 0 361.470 5.542 50 30 FKEARN CCCCOc1ccc(C=NNc2nc3ccccc3s2)cc1OCC ZINC000030735284 263391082 /nfs/dbraw/zinc/39/10/82/263391082.db2.gz JKHFSMUJHPZFNV-STZFKDTASA-N 0 0 369.490 5.320 50 30 FKEARN Cc1ccc(C2(C(=O)Nc3sc4c(c3C#N)CCCC4)CCCC2)cc1 ZINC000030822870 571348797 /nfs/dbraw/zinc/34/87/97/571348797.db2.gz GYZWEIATTFGYGJ-UHFFFAOYSA-N 0 0 364.514 5.258 50 30 FKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)C3(c4ccccc4)CCCC3)sc2C1 ZINC000030822871 571348831 /nfs/dbraw/zinc/34/88/31/571348831.db2.gz PXMNTLHPVSEXIW-OAHLLOKOSA-N 0 0 364.514 5.195 50 30 FKEARN C[C@H]1CCc2c(C#N)c(NC(=O)C3(c4ccccc4)CCCC3)sc2C1 ZINC000030822872 208006314 /nfs/dbraw/zinc/00/63/14/208006314.db2.gz PXMNTLHPVSEXIW-HNNXBMFYSA-N 0 0 364.514 5.195 50 30 FKEARN C/C(=N/OC(=O)CCc1ccccc1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000030836344 263391067 /nfs/dbraw/zinc/39/10/67/263391067.db2.gz OAABPKDPXMJQAE-UQQQWYQISA-N 0 0 355.437 5.158 50 30 FKEARN O=C1C=C/C(=C(/c2ccccc2)c2ccc(O)c3ccccc23)c2ccccc21 ZINC000031291977 571054134 /nfs/dbraw/zinc/05/41/34/571054134.db2.gz VDDWRTZCUJCDJM-SOYKGTTHSA-N 0 0 374.439 6.257 50 30 FKEARN CSc1nc(-c2ccccc2)c(C#N)c(N(Cc2ccccc2)C(C)C)n1 ZINC000031773888 571353613 /nfs/dbraw/zinc/35/36/13/571353613.db2.gz VNUZZSCVXUCASS-UHFFFAOYSA-N 0 0 374.513 5.152 50 30 FKEARN CSc1cccc(Nc2nc(SC)nc(-c3ccccc3)c2C#N)c1 ZINC000031773890 571353587 /nfs/dbraw/zinc/35/35/87/571353587.db2.gz QZROHXYOACTYRD-UHFFFAOYSA-N 0 0 364.499 5.203 50 30 FKEARN CSc1nc(Nc2ccc(C(C)C)cc2)c(C#N)c(-c2ccccc2)n1 ZINC000031773897 208018377 /nfs/dbraw/zinc/01/83/77/208018377.db2.gz OOXVJTOSMKXXMB-UHFFFAOYSA-N 0 0 360.486 5.604 50 30 FKEARN Brc1ccccc1CN=Nc1nc(-c2ccccc2)cs1 ZINC000031854348 571204203 /nfs/dbraw/zinc/20/42/03/571204203.db2.gz YXJBGPKCNKZENH-ZDLGFXPLSA-N 0 0 358.264 5.019 50 30 FKEARN Brc1cccc(CN=Nc2nc(-c3ccccc3)cs2)c1 ZINC000031854352 571204350 /nfs/dbraw/zinc/20/43/50/571204350.db2.gz XZFVMCIFBSIIIC-ZDLGFXPLSA-N 0 0 358.264 5.019 50 30 FKEARN CC(C)c1ccc(CN=Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000031854398 263392256 /nfs/dbraw/zinc/39/22/56/263392256.db2.gz CLEVCUBLMADLSR-JAIQZWGSSA-N 0 0 366.446 5.288 50 30 FKEARN Cc1cccc(CN=Nc2nc(-c3ccc(Br)cc3)cs2)c1 ZINC000031854481 263392189 /nfs/dbraw/zinc/39/21/89/263392189.db2.gz AQPRNYQTTNAQNA-GRSHGNNSSA-N 0 0 372.291 5.327 50 30 FKEARN Fc1ccccc1CN=Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000031854531 263392349 /nfs/dbraw/zinc/39/23/49/263392349.db2.gz AJGXJNIQUTXFSB-ZBKNUEDVSA-N 0 0 366.248 5.702 50 30 FKEARN Oc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 ZINC000031854558 263392354 /nfs/dbraw/zinc/39/23/54/263392354.db2.gz XBRVBEUXFJQGIS-UWVJOHFNSA-N 0 0 364.257 5.269 50 30 FKEARN Oc1cccc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c1 ZINC000031854560 263392178 /nfs/dbraw/zinc/39/21/78/263392178.db2.gz LKSQFVCCDKNGGO-UWVJOHFNSA-N 0 0 364.257 5.269 50 30 FKEARN c1ccc(COc2cccc(CN=Nc3nc4c(s3)CCCC4)c2)cc1 ZINC000031854635 263392200 /nfs/dbraw/zinc/39/22/00/263392200.db2.gz JNXSYROVQASOBW-HMAPJEAMSA-N 0 0 363.486 5.047 50 30 FKEARN CCCOc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000031858846 263392184 /nfs/dbraw/zinc/39/21/84/263392184.db2.gz PNUGZPVKQNAJRF-MTJSOVHGSA-N 0 0 371.893 5.698 50 30 FKEARN CCc1ccc(C(=O)/C=C\S/C=C\C(=O)c2ccc(CC)cc2)cc1 ZINC000031910832 263392421 /nfs/dbraw/zinc/39/24/21/263392421.db2.gz GVHWDBGGJLPHHI-VMNXYWKNSA-N 0 0 350.483 5.638 50 30 FKEARN CCc1ccc(C(=O)/C=C/S/C=C\C(=O)c2ccc(CC)cc2)cc1 ZINC000031910836 263392430 /nfs/dbraw/zinc/39/24/30/263392430.db2.gz GVHWDBGGJLPHHI-VCFJNTAESA-N 0 0 350.483 5.638 50 30 FKEARN O=C(C=CNc1cc(Cl)cc(Cl)c1)c1ccc(Br)cc1 ZINC000032100176 211545117 /nfs/dbraw/zinc/54/51/17/211545117.db2.gz CVSIYIAQWCFZNS-AATRIKPKSA-N 0 0 371.061 5.564 50 30 FKEARN Brc1ccccc1[C@@H]1O[C@H]1c1ccccc1Br ZINC000032105367 571308461 /nfs/dbraw/zinc/30/84/61/571308461.db2.gz IELHXNMRTDOIMW-KBPBESRZSA-N 0 0 354.041 5.024 50 30 FKEARN C=C(C1C(C)(C)C1(C)C)N(C(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000032106415 571308505 /nfs/dbraw/zinc/30/85/05/571308505.db2.gz SYVKUBZMTGWIJO-UHFFFAOYSA-N 0 0 353.893 6.183 50 30 FKEARN O=C(C=CNc1ccccc1NC=CC(=O)c1ccccc1)c1ccccc1 ZINC000032106998 571311316 /nfs/dbraw/zinc/31/13/16/571311316.db2.gz GNLUDRZXUSYZRQ-IQRFGFHNSA-N 0 0 368.436 5.304 50 30 FKEARN N#Cc1c(Cl)nc(N=NCc2ccc(Cl)cc2)c(Cl)c1Cl ZINC000032119730 571049981 /nfs/dbraw/zinc/04/99/81/571049981.db2.gz NTMAKPIOXDYYCL-SWNXQHNESA-N 0 0 360.031 5.013 50 30 FKEARN C(=NNc1nc2ccccc2s1)c1ccc(OCc2ccccc2)cc1 ZINC000032123361 211545052 /nfs/dbraw/zinc/54/50/52/211545052.db2.gz KJUWNZFNIQHUBN-HMAPJEAMSA-N 0 0 359.454 5.321 50 30 FKEARN Fc1c(F)c(C(F)(F)F)c(F)c(F)c1N=NCc1ccccc1Cl ZINC000032123383 220655858 /nfs/dbraw/zinc/65/58/58/220655858.db2.gz NDIIDYADOWZSLW-FPQMYIDKSA-N 0 0 370.655 5.361 50 30 FKEARN Cc1cccc(C(=O)/C=C2/c3ccc4ccccc4c3CC(C)(C)N2C)c1 ZINC000032125466 220657813 /nfs/dbraw/zinc/65/78/13/220657813.db2.gz GQWPXPNJPMISIK-HAHDFKILSA-N 0 0 355.481 5.639 50 30 biogenic,in-vitro FKEARN CCOc1ccc(Br)cc1/C=C1\Sc2ccccc2C1=O ZINC000032125509 571356070 /nfs/dbraw/zinc/35/60/70/571356070.db2.gz ARJRYVAUHZJPBK-YBEGLDIGSA-N 0 0 361.260 5.177 50 30 FKEARN CC(C(=O)c1ccccc1)=C(CC(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000032178477 518473614 /nfs/dbraw/zinc/47/36/14/518473614.db2.gz JZQRUUIWZOPKSA-XLNRJJMWSA-N 0 0 374.867 6.269 50 30 FKEARN O=C(/C=C\Sc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000032224074 527653122 /nfs/dbraw/zinc/65/31/22/527653122.db2.gz PXQSRTPSXRWHMK-HJWRWDBZSA-N 0 0 353.668 5.591 50 30 FKEARN CC(=O)/C=C1/SC=C(c2ccc(Br)cc2)N1c1ccccc1 ZINC000032609510 571058498 /nfs/dbraw/zinc/05/84/98/571058498.db2.gz NXWHLBUYBDDPIU-WOJGMQOQSA-N 0 0 372.287 5.431 50 30 FKEARN CN(Cc1ccc(C#N)cc1)C(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000032615589 570754706 /nfs/dbraw/zinc/75/47/06/570754706.db2.gz AEFRWSZOBCHMHU-QFIPXVFZSA-N 0 0 372.493 5.050 50 30 FKEARN CN(Cc1ccc(C#N)cc1)C(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000032615591 570754593 /nfs/dbraw/zinc/75/45/93/570754593.db2.gz AEFRWSZOBCHMHU-JOCHJYFZSA-N 0 0 372.493 5.050 50 30 FKEARN O=C(/C(=C\c1ccc(Cl)cc1)Oc1ccccc1O)c1ccccc1 ZINC000032624689 527590511 /nfs/dbraw/zinc/59/05/11/527590511.db2.gz PIMHSILUVSUCTB-XSFVSMFZSA-N 0 0 350.801 5.348 50 30 FKEARN COc1cccc(/C=C/C(=O)c2cc3cc(Br)ccc3o2)c1 ZINC000032639092 263393747 /nfs/dbraw/zinc/39/37/47/263393747.db2.gz SCIYENNKUXAQOZ-FNORWQNLSA-N 0 0 357.203 5.100 50 30 FKEARN CC(=O)Nc1cccc(C(=O)/C=C/c2ccccc2OCc2ccccc2)c1 ZINC000032641967 519735867 /nfs/dbraw/zinc/73/58/67/519735867.db2.gz QEZPUYKXVPRWOC-CCEZHUSRSA-N 0 0 371.436 5.120 50 30 FKEARN CSc1ccc(/C=C2/C(=O)c3ccccc3O[C@@H]2c2ccccc2)cc1 ZINC000032641979 208035899 /nfs/dbraw/zinc/03/58/99/208035899.db2.gz UNYFSVJQOBDQQP-HVQRGMKJSA-N 0 0 358.462 5.809 50 30 FKEARN Cc1cc(C(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(C)s1 ZINC000032665934 526197413 /nfs/dbraw/zinc/19/74/13/526197413.db2.gz GSUYGJAJERDBMP-VQHVLOKHSA-N 0 0 353.399 5.429 50 30 FKEARN N#Cc1nc(COc2ccc(Cl)cc2)oc1NCc1ccc(Cl)cc1 ZINC000032675111 570767341 /nfs/dbraw/zinc/76/73/41/570767341.db2.gz QIJIZQUWAVKYEP-UHFFFAOYSA-N 0 0 374.227 5.044 50 30 FKEARN CN(/N=C\c1ccccc1)c1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000032691022 571059153 /nfs/dbraw/zinc/05/91/53/571059153.db2.gz OJRSTFXSHYQACB-BWAHOGKJSA-N 0 0 364.452 5.281 50 30 FKEARN Cc1ccc(/C=C2\CN(Cc3ccccc3)C/C(=C\c3ccc(C)o3)C2=O)o1 ZINC000032703174 209848886 /nfs/dbraw/zinc/84/88/86/209848886.db2.gz RBNINQASNNFITK-ZIOPAAQOSA-N 0 0 373.452 5.041 50 30 FKEARN COc1ccc(C(=O)/C(=C/c2ccccc2)c2nc3ccccc3o2)cc1 ZINC000032709499 523535911 /nfs/dbraw/zinc/53/59/11/523535911.db2.gz KHLSYZQNPWIWAE-CYVLTUHYSA-N 0 0 355.393 5.260 50 30 FKEARN COc1ccc(C(=O)/C(=C/c2ccc(C)o2)c2nc3ccccc3o2)cc1 ZINC000032709500 523536886 /nfs/dbraw/zinc/53/68/86/523536886.db2.gz IZDFZTHNHRZQFF-AQTBWJFISA-N 0 0 359.381 5.161 50 30 FKEARN CN(Cc1cccc(C#N)c1)C(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000032796575 570803733 /nfs/dbraw/zinc/80/37/33/570803733.db2.gz PJNSAWDXUIBOQW-QFIPXVFZSA-N 0 0 372.493 5.050 50 30 FKEARN CN(Cc1cccc(C#N)c1)C(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000032796576 208043271 /nfs/dbraw/zinc/04/32/71/208043271.db2.gz PJNSAWDXUIBOQW-JOCHJYFZSA-N 0 0 372.493 5.050 50 30 FKEARN CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO ZINC000032839026 571059777 /nfs/dbraw/zinc/05/97/77/571059777.db2.gz VBICKXHEKHSIBG-FQEVSTJZSA-N 0 0 358.563 5.144 50 30 endogenous,in-man FKEARN CCCCCCCCCCCCCCCCCC(=O)OC(CO)CO ZINC000032840814 571059885 /nfs/dbraw/zinc/05/98/85/571059885.db2.gz YQEMORVAKMFKLG-UHFFFAOYSA-N 0 0 358.563 5.144 50 30 endogenous,in-man FKEARN C=CCN(Cc1cccs1)C(=O)c1cc2cc(Cl)ccc2nc1C ZINC000032865614 518790671 /nfs/dbraw/zinc/79/06/71/518790671.db2.gz AKPSHVAGSWBLBM-UHFFFAOYSA-N 0 0 356.878 5.087 50 30 FKEARN N#CCSc1ccccc1C(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000032904334 526477345 /nfs/dbraw/zinc/47/73/45/526477345.db2.gz DEGTYPVRPQIFQE-UHFFFAOYSA-N 0 0 359.454 5.298 50 30 FKEARN C[C@@H](NCC(=O)NC1(C#N)CCCCCC1)c1ccc(Cl)cc1Cl ZINC000032906720 570844041 /nfs/dbraw/zinc/84/40/41/570844041.db2.gz LDJOAHXNESYDMF-CYBMUJFWSA-N 0 0 368.308 5.217 50 30 FKEARN C[C@H](NCC(=O)NC1(C#N)CCCCCC1)c1ccc(Cl)cc1Cl ZINC000032906721 570844537 /nfs/dbraw/zinc/84/45/37/570844537.db2.gz LDJOAHXNESYDMF-ZDUSSCGKSA-N 0 0 368.308 5.217 50 30 FKEARN C#C[C@]1(O)CC[C@@H]2[C@@H]3CCc4cc(OC5CCCC5)ccc4[C@@H]3CC[C@@]21C ZINC000032911574 571194682 /nfs/dbraw/zinc/19/46/82/571194682.db2.gz PWZUUYSISTUNDW-QVXKZJQXSA-N 0 0 364.529 5.228 50 30 FKEARN Cc1c(C)n(-c2ccccc2)c(NC(=O)c2ccc(Cl)cc2F)c1C#N ZINC000032915672 570857619 /nfs/dbraw/zinc/85/76/19/570857619.db2.gz UJKLDSHOGZCENK-UHFFFAOYSA-N 0 0 367.811 5.011 50 30 FKEARN N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cccc(F)c2)cc1Cl ZINC000032931742 204948182 /nfs/dbraw/zinc/94/81/82/204948182.db2.gz IFYUQNZJTBVEKQ-IBGZPJMESA-N 0 0 364.807 5.387 50 30 FKEARN N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cccc(F)c2)cc1Cl ZINC000032931743 570872380 /nfs/dbraw/zinc/87/23/80/570872380.db2.gz IFYUQNZJTBVEKQ-LJQANCHMSA-N 0 0 364.807 5.387 50 30 FKEARN N#Cc1nc(-c2ccc(COc3ccccc3)o2)oc1NC1CCCCC1 ZINC000032999852 208065494 /nfs/dbraw/zinc/06/54/94/208065494.db2.gz XAKHNKOWZNEUKE-UHFFFAOYSA-N 0 0 363.417 5.130 50 30 FKEARN Cc1ccc(C)c(OCc2ccc(-c3nc(C#N)c(NCC(C)C)o3)o2)c1 ZINC000033026986 208067563 /nfs/dbraw/zinc/06/75/63/208067563.db2.gz KJFIDJQIZXGCBC-UHFFFAOYSA-N 0 0 365.433 5.070 50 30 FKEARN CC[C@@H](C)Nc1oc(-c2ccc(COc3ccc(C)c(C)c3)o2)nc1C#N ZINC000033026995 571109150 /nfs/dbraw/zinc/10/91/50/571109150.db2.gz PEIMGDZUZTVRGP-OAHLLOKOSA-N 0 0 365.433 5.213 50 30 FKEARN CC[C@H](C)Nc1oc(-c2ccc(COc3ccc(C)c(C)c3)o2)nc1C#N ZINC000033026998 208067568 /nfs/dbraw/zinc/06/75/68/208067568.db2.gz PEIMGDZUZTVRGP-HNNXBMFYSA-N 0 0 365.433 5.213 50 30 FKEARN CC[C@@H](C)Nc1oc(-c2ccc(COc3cc(C)ccc3C)o2)nc1C#N ZINC000033027001 220713207 /nfs/dbraw/zinc/71/32/07/220713207.db2.gz PLQXEZLPDCVUTI-OAHLLOKOSA-N 0 0 365.433 5.213 50 30 FKEARN CC[C@H](C)Nc1oc(-c2ccc(COc3cc(C)ccc3C)o2)nc1C#N ZINC000033027004 571109048 /nfs/dbraw/zinc/10/90/48/571109048.db2.gz PLQXEZLPDCVUTI-HNNXBMFYSA-N 0 0 365.433 5.213 50 30 FKEARN N#Cc1nc(-c2ccc(COc3ccc4ccccc4c3)o2)oc1NC1CC1 ZINC000033027029 571109064 /nfs/dbraw/zinc/10/90/64/571109064.db2.gz CHYQSXFFNYYHBD-UHFFFAOYSA-N 0 0 371.396 5.113 50 30 FKEARN C=CCNc1oc(-c2ccc(COc3ccc4ccccc4c3)o2)nc1C#N ZINC000033027068 263394627 /nfs/dbraw/zinc/39/46/27/263394627.db2.gz UARVUPIBCKCLTB-UHFFFAOYSA-N 0 0 371.396 5.136 50 30 FKEARN CC(C)Nc1oc(-c2ccc(COc3ccc4ccccc4c3)o2)nc1C#N ZINC000033027220 571109417 /nfs/dbraw/zinc/10/94/17/571109417.db2.gz HEMUSZNBMKXQNG-UHFFFAOYSA-N 0 0 373.412 5.359 50 30 FKEARN Cc1cccc(C)c1/N=C1\NC(=O)/C(=C/c2cc(C)c(C)cc2C)S1 ZINC000033039433 208069571 /nfs/dbraw/zinc/06/95/71/208069571.db2.gz REMGWRGIWFBZOR-WQRHYEAKSA-N 0 0 350.487 5.120 50 30 FKEARN Clc1cccc(N=NC=C2CSc3ccc(Cl)cc3C2Cl)c1 ZINC000033090796 568450849 /nfs/dbraw/zinc/45/08/49/568450849.db2.gz AUGPLWAIRTULDT-ZBKNUEDVSA-N 0 0 369.704 6.147 50 30 FKEARN O=C1/C(=C/c2ccccc2)S/C(=N/c2ccccc2)N1C1CCCCC1 ZINC000033097110 571155555 /nfs/dbraw/zinc/15/55/55/571155555.db2.gz GREKRRJHAWDIHC-OPAWIXSSSA-N 0 0 362.498 5.623 50 30 FKEARN Cc1ccc2nc(-c3ccccc3NC(=O)c3ccc(C#N)cc3)ccc2c1 ZINC000033113721 208072834 /nfs/dbraw/zinc/07/28/34/208072834.db2.gz SZHQIMYYAVHANS-UHFFFAOYSA-N 0 0 363.420 5.334 50 30 FKEARN O=C1c2ccccc2S/C1=C/c1c[nH]c2ccc(Br)cc12 ZINC000033168611 571161397 /nfs/dbraw/zinc/16/13/97/571161397.db2.gz OTKXJUAHFWTFQN-FRKPEAEDSA-N 0 0 356.244 5.260 50 30 FKEARN N#Cc1cccc(NC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c1 ZINC000033169259 211590768 /nfs/dbraw/zinc/59/07/68/211590768.db2.gz LETXMFNLOIWRAO-UHFFFAOYSA-N 0 0 370.437 5.479 50 30 FKEARN Cc1ccc(C(=O)/C=C\c2ccc(/C=C\C(=O)c3ccc(C)cc3)o2)cc1 ZINC000033246235 571167757 /nfs/dbraw/zinc/16/77/57/571167757.db2.gz ULHILAORQYIOFS-VMNXYWKNSA-N 0 0 356.421 5.689 50 30 FKEARN O=C(/C=C\c1ccc(-c2ccc(Br)cc2)o1)c1ccccc1 ZINC000033246866 571167741 /nfs/dbraw/zinc/16/77/41/571167741.db2.gz ZLYBAHXMYKUAPI-BENRWUELSA-N 0 0 353.215 5.605 50 30 FKEARN O=C(/C=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc(F)cc1 ZINC000033246931 568471672 /nfs/dbraw/zinc/47/16/72/568471672.db2.gz KQEXRBGZAHCHRN-TWGQIWQCSA-N 0 0 361.199 6.289 50 30 FKEARN C=CCOc1cccc([C@@H]2Nc3ccc(Cl)cc3[C@H]3OCCC[C@@H]23)c1 ZINC000033271103 571226894 /nfs/dbraw/zinc/22/68/94/571226894.db2.gz BOBDSXXQSBPAKB-YYWHXJBOSA-N 0 0 355.865 5.539 50 30 FKEARN C=CCOc1cccc([C@H]2Nc3ccc(Cl)cc3[C@H]3OCCC[C@@H]23)c1 ZINC000033271104 220724728 /nfs/dbraw/zinc/72/47/28/220724728.db2.gz BOBDSXXQSBPAKB-WMQCIHAUSA-N 0 0 355.865 5.539 50 30 FKEARN COc1ccc2ccccc2c1/C=C1/S/C(=N/c2ccc(C)cc2)NC1=O ZINC000033295094 571230838 /nfs/dbraw/zinc/23/08/38/571230838.db2.gz NHBZAAOMXCRKPN-DEDYPNTBSA-N 0 0 374.465 5.048 50 30 FKEARN COc1ccc2ccccc2c1/C=C1/S/C(=N/c2cccc(C)c2)NC1=O ZINC000033295112 571230864 /nfs/dbraw/zinc/23/08/64/571230864.db2.gz JXUKVPMZXSNXPO-DEDYPNTBSA-N 0 0 374.465 5.048 50 30 FKEARN O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C/c1ccc(F)cc1 ZINC000033323591 208085454 /nfs/dbraw/zinc/08/54/54/208085454.db2.gz GTHYBNAZZXVGPN-MDWZMJQESA-N 0 0 367.232 5.024 50 30 FKEARN Cc1noc2c1[C@H](C(C)C)C1=C(C[C@@H](c3ccc(Cl)cc3)CC1=O)N2 ZINC000033324925 571147120 /nfs/dbraw/zinc/14/71/20/571147120.db2.gz HTOABLNMVBFNLK-DYVFJYSZSA-N 0 0 356.853 5.202 50 30 FKEARN Cc1noc2c1[C@@H](C(C)C)C1=C(C[C@@H](c3ccc(Cl)cc3)CC1=O)N2 ZINC000033324926 571147224 /nfs/dbraw/zinc/14/72/24/571147224.db2.gz HTOABLNMVBFNLK-CXAGYDPISA-N 0 0 356.853 5.202 50 30 FKEARN Cc1noc2c1[C@H](C(C)C)C1=C(C[C@H](c3ccc(Cl)cc3)CC1=O)N2 ZINC000033324927 571147098 /nfs/dbraw/zinc/14/70/98/571147098.db2.gz HTOABLNMVBFNLK-GUYCJALGSA-N 0 0 356.853 5.202 50 30 FKEARN Cc1noc2c1[C@@H](C(C)C)C1=C(C[C@H](c3ccc(Cl)cc3)CC1=O)N2 ZINC000033324928 571147211 /nfs/dbraw/zinc/14/72/11/571147211.db2.gz HTOABLNMVBFNLK-SUMWQHHRSA-N 0 0 356.853 5.202 50 30 FKEARN CSc1nc(Nc2cccc(Cl)c2)c(C#N)c(-c2ccccc2)n1 ZINC000033325303 571234494 /nfs/dbraw/zinc/23/44/94/571234494.db2.gz NPBUINUAOXNBCI-UHFFFAOYSA-N 0 0 352.850 5.134 50 30 FKEARN C=CCc1ccc(OCc2nc3cc(Cl)c(Cl)cc3[nH]2)c(OC)c1 ZINC000033327190 519141165 /nfs/dbraw/zinc/14/11/65/519141165.db2.gz MDXNYTCPWWRKAI-UHFFFAOYSA-N 0 0 363.244 5.186 50 30 FKEARN O=C(Oc1ccc(/C=C2\Sc3ccccc3C2=O)cc1)c1ccccc1 ZINC000033341496 571236541 /nfs/dbraw/zinc/23/65/41/571236541.db2.gz HTMAMZILSQVNPL-ZHZULCJRSA-N 0 0 358.418 5.235 50 30 FKEARN O=C1c2ccccc2S/C1=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000033347589 571236609 /nfs/dbraw/zinc/23/66/09/571236609.db2.gz ZKZPAFSZMQHXPW-VCHYOVAHSA-N 0 0 373.260 6.583 50 30 FKEARN CC(C)c1ccc(/C=C2\S/C(=N\c3ccccc3Cl)NC2=O)cc1 ZINC000033347591 571236623 /nfs/dbraw/zinc/23/66/23/571236623.db2.gz ZJBAXGXDSGPHTQ-BOPFTXTBSA-N 0 0 356.878 5.355 50 30 FKEARN CCCCCCCCCCCCCCCCCCNC(=O)c1cccnc1 ZINC000033353028 519994210 /nfs/dbraw/zinc/99/42/10/519994210.db2.gz QORNMLOFKLDGCR-UHFFFAOYSA-N 0 0 374.613 7.073 50 30 FKEARN CCCCCCCCOc1ccc(-c2ncc(CCCCCC)cn2)cc1 ZINC000033353730 520042003 /nfs/dbraw/zinc/04/20/03/520042003.db2.gz NJSPPGNEZLZGRI-UHFFFAOYSA-N 0 0 368.565 7.006 50 30 FKEARN CCCCCCCCCC(=O)Nc1cccc(C(=O)Nc2ccccn2)c1 ZINC000033353741 571064602 /nfs/dbraw/zinc/06/46/02/571064602.db2.gz YDHBGYAAKASVNA-UHFFFAOYSA-N 0 0 367.493 5.413 50 30 FKEARN CCCCCCCCC(=O)c1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000033353907 519975927 /nfs/dbraw/zinc/97/59/27/519975927.db2.gz LTNAGPZWUZUHQB-IBGZPJMESA-N 0 0 365.517 6.111 50 30 FKEARN CCCCCCCCC(=O)c1ccc(C(=O)N[C@H](C)c2ccccc2)cc1 ZINC000033353910 519975369 /nfs/dbraw/zinc/97/53/69/519975369.db2.gz LTNAGPZWUZUHQB-LJQANCHMSA-N 0 0 365.517 6.111 50 30 FKEARN CCCCCCCCCCCCCCCc1noc2c1/C(=N/O)CCC2 ZINC000033354132 520005015 /nfs/dbraw/zinc/00/50/15/520005015.db2.gz RNLIKOTUPOSZCH-FCDQGJHFSA-N 0 0 362.558 6.823 50 30 FKEARN CCCCCCCC[S@@](=O)c1sc2nc3c(cc2c1N)CCCC3 ZINC000033354135 520047109 /nfs/dbraw/zinc/04/71/09/520047109.db2.gz LNWNSZQYKALKJS-DEOSSOPVSA-N 0 0 364.580 5.225 50 30 FKEARN CCCCCCCC[S@](=O)c1sc2nc3c(cc2c1N)CCCC3 ZINC000033354139 520047431 /nfs/dbraw/zinc/04/74/31/520047431.db2.gz LNWNSZQYKALKJS-XMMPIXPASA-N 0 0 364.580 5.225 50 30 FKEARN CCCCCCCCCCNc1c2ccccc2[nH]c(=O)c1C(=O)OCC ZINC000033354221 208088556 /nfs/dbraw/zinc/08/85/56/208088556.db2.gz BMPOOZWDLVEBFC-UHFFFAOYSA-N 0 0 372.509 5.257 50 30 FKEARN Fc1c(F)c(F)c(/N=N/c2c(F)c(F)c(F)c(F)c2F)c(F)c1F ZINC000033354285 204967117 /nfs/dbraw/zinc/96/71/17/204967117.db2.gz JLMLUOQMPDZUFW-WCWDXBQESA-N 0 0 362.126 5.493 50 30 FKEARN CCCCCCCCCCCCCCCCCCNC(=O)CC1CCC1 ZINC000033354650 519993917 /nfs/dbraw/zinc/99/39/17/519993917.db2.gz RACLLTHZJDKOCH-UHFFFAOYSA-N 0 0 365.646 7.554 50 30 FKEARN CCCCCCCCOC(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000033354763 570891248 /nfs/dbraw/zinc/89/12/48/570891248.db2.gz XOXIOEGQOQJSHJ-NRFANRHFSA-N 0 0 367.489 5.061 50 30 FKEARN CCCCCCCCOC(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000033354765 571237129 /nfs/dbraw/zinc/23/71/29/571237129.db2.gz XOXIOEGQOQJSHJ-OAQYLSRUSA-N 0 0 367.489 5.061 50 30 FKEARN CCCCCCCCCCCCNC(=O)c1cccc(Br)c1 ZINC000033355088 520009258 /nfs/dbraw/zinc/00/92/58/520009258.db2.gz WLODYISPCWMIII-UHFFFAOYSA-N 0 0 368.359 6.100 50 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/nfs/dbraw/zinc/52/39/31/570523931.db2.gz RHPYKETXTNZHJD-CAPFRKAQSA-N 0 0 367.452 5.052 50 30 FKEARN Cc1ccc(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 ZINC000033406461 526015603 /nfs/dbraw/zinc/01/56/03/526015603.db2.gz SKXJSFJKOBHEDD-MSUUIHNZSA-N 0 0 364.448 5.744 50 30 FKEARN CCN1C/C(=C\c2ccc(Cl)cc2)C(=O)/C(=C/c2ccc(Cl)cc2)C1 ZINC000033410184 571064927 /nfs/dbraw/zinc/06/49/27/571064927.db2.gz HZDYQVUKYVCQRS-JYFOCSDGSA-N 0 0 372.295 5.365 50 30 FKEARN O=C(/C=C\c1ccc(-c2cccc(Br)c2)o1)c1cccs1 ZINC000033410763 527653731 /nfs/dbraw/zinc/65/37/31/527653731.db2.gz NOTPFAMPYSTHPM-VURMDHGXSA-N 0 0 359.244 5.667 50 30 FKEARN CCN1C/C(=C\c2ccccc2Cl)C(=O)/C(=C/c2ccccc2Cl)C1 ZINC000033412711 204968840 /nfs/dbraw/zinc/96/88/40/204968840.db2.gz DBRWZDDZJNDGSW-JYFOCSDGSA-N 0 0 372.295 5.365 50 30 FKEARN CCc1ccc(/C=C2/CN(CC)C/C(=C/c3ccc(CC)cc3)C2=O)cc1 ZINC000033412890 208091340 /nfs/dbraw/zinc/09/13/40/208091340.db2.gz JIDKXPOPUHUAEU-MPKYGIEOSA-N 0 0 359.513 5.183 50 30 FKEARN 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C=C(Cl)CSC1=N/C(=C\c2ccccc2)C(=O)N1c1ccc(F)cc1 ZINC000033477258 568511896 /nfs/dbraw/zinc/51/18/96/568511896.db2.gz JSJQEQYFTCCEHV-BOPFTXTBSA-N 0 0 372.852 5.055 50 30 FKEARN COc1ccc2cc(C(=O)/C=C\c3ccc(N4CCCCC4)cc3)ccc2c1 ZINC000033480426 525620675 /nfs/dbraw/zinc/62/06/75/525620675.db2.gz BIKVYIJFGKHVHV-AUWJEWJLSA-N 0 0 371.480 5.735 50 30 FKEARN O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccs1)c1ccc(O)cc1 ZINC000033480625 527660641 /nfs/dbraw/zinc/66/06/41/527660641.db2.gz WCTKDLKHTSCUJH-RAXLEYEMSA-N 0 0 372.449 5.203 50 30 FKEARN O=C(/C=C\c1ccc(-c2ccccc2Cl)o1)c1ccc2c(c1)OCCO2 ZINC000033502622 527654157 /nfs/dbraw/zinc/65/41/57/527654157.db2.gz RBCHXCXQFFUDHH-VURMDHGXSA-N 0 0 366.800 5.267 50 30 FKEARN N#CCCn1cc(/C=C\c2nc3ccccc3s2)c(-c2ccccc2)n1 ZINC000033530407 263396482 /nfs/dbraw/zinc/39/64/82/263396482.db2.gz DJYRYKIKJQMZBS-QXMHVHEDSA-N 0 0 356.454 5.244 50 30 FKEARN Cc1ccc(C(=O)/C=C/c2ccc(/C=C\C(=O)c3ccc(C)cc3)o2)cc1 ZINC000033556667 263396153 /nfs/dbraw/zinc/39/61/53/263396153.db2.gz 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ZINC000036202880 571245046 /nfs/dbraw/zinc/24/50/46/571245046.db2.gz XWZYSAPWRYKZES-UHFFFAOYSA-N 0 0 371.546 5.626 50 30 FKEARN O=C1/C(=C/c2ccccc2)S/C(=N\c2ccccc2)N1Cc1ccccc1 ZINC000036245394 571245747 /nfs/dbraw/zinc/24/57/47/571245747.db2.gz YJPAFMQAVLVJPI-BLOQEJBCSA-N 0 0 370.477 5.491 50 30 FKEARN N#C[C@@H](c1ccc(Cl)cc1)N1N=C(c2ccccc2)C[C@H]1c1ccccc1 ZINC000036249995 208152623 /nfs/dbraw/zinc/15/26/23/208152623.db2.gz BQDVOCMNUGYZHR-GOTSBHOMSA-N 0 0 371.871 5.756 50 30 FKEARN CCCCCCCC/C=C/CCCCCCCC(=O)Nc1ccccc1 ZINC000036330879 571079775 /nfs/dbraw/zinc/07/97/75/571079775.db2.gz YPUOCYKJOLQYQS-MDZDMXLPSA-N 0 0 357.582 7.663 50 30 in-vivo FKEARN CCCCCCCC/C=C\CCCCCCCC(=O)Nc1ccccc1 ZINC000036349347 519969527 /nfs/dbraw/zinc/96/95/27/519969527.db2.gz YPUOCYKJOLQYQS-KTKRTIGZSA-N 0 0 357.582 7.663 50 30 in-vivo FKEARN C=CC[C@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]21C ZINC000036372070 571308573 /nfs/dbraw/zinc/30/85/73/571308573.db2.gz VXKSEYDZMNUMAZ-ZPLYMWLFSA-N 0 0 374.565 5.268 50 30 FKEARN C=CCSc1ccccc1NC(=O)CCCc1nc2ccccc2s1 ZINC000036397842 519077866 /nfs/dbraw/zinc/07/78/66/519077866.db2.gz UKWLVNWNUFTLRN-UHFFFAOYSA-N 0 0 368.527 5.536 50 30 FKEARN CC[C@H](C(=O)C=Cc1ccccc1)C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000036610870 523751271 /nfs/dbraw/zinc/75/12/71/523751271.db2.gz MDGSZSJIRYOQHA-LZBQDUPOSA-N 0 0 356.506 5.299 50 30 FKEARN CCCc1sc(C(=O)/C=C/c2cccc(OC)c2)cc1Br ZINC000036611177 521611848 /nfs/dbraw/zinc/61/18/48/521611848.db2.gz PWXBSEWDTCKYKP-CMDGGOBGSA-N 0 0 365.292 5.368 50 30 FKEARN C/C(=N\OC(=O)c1ccccc1Cl)c1ccc2c(c1)Cc1ccccc1-2 ZINC000036644266 208170010 /nfs/dbraw/zinc/17/00/10/208170010.db2.gz UQNCJHRKXVJXJL-ZVHZXABRSA-N 0 0 361.828 5.492 50 30 FKEARN C/C(=N\OC(=O)CCc1ccccc1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000036644269 518468274 /nfs/dbraw/zinc/46/82/74/518468274.db2.gz OAABPKDPXMJQAE-KOEQRZSOSA-N 0 0 355.437 5.158 50 30 FKEARN Cc1cc(/C=C/C(=O)c2ccc(C#N)cc2)cc(C)c1OCc1ccccn1 ZINC000036832214 526083552 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ZINC000037510418 205026317 /nfs/dbraw/zinc/02/63/17/205026317.db2.gz PUDIBJGEGVHDAJ-UHFFFAOYSA-N 0 0 361.470 5.358 50 30 FKEARN Cc1cc(Oc2ccc(Cl)cc2)nc(SCc2cccc(C#N)c2)n1 ZINC000037510895 571286558 /nfs/dbraw/zinc/28/65/58/571286558.db2.gz DRYCEQIFTDZBGX-UHFFFAOYSA-N 0 0 367.861 5.395 50 30 FKEARN Cc1cc(Oc2ccc(F)cc2F)nc(SCc2cccc(C#N)c2)n1 ZINC000037511200 208180612 /nfs/dbraw/zinc/18/06/12/208180612.db2.gz LFUZBMOFAQIQME-UHFFFAOYSA-N 0 0 369.396 5.020 50 30 FKEARN C=CCNC(=O)c1cc2sc(C)cc2n1Cc1ccc(C(C)(C)C)cc1 ZINC000037541408 571287588 /nfs/dbraw/zinc/28/75/88/571287588.db2.gz YOMMLIIVMPFCGF-UHFFFAOYSA-N 0 0 366.530 5.273 50 30 FKEARN Cc1ccccc1COc1cccc(-c2noc(-c3ccc(C#N)cc3)n2)c1 ZINC000037547629 205027806 /nfs/dbraw/zinc/02/78/06/205027806.db2.gz CVTJWQSLSYMCKD-UHFFFAOYSA-N 0 0 367.408 5.163 50 30 FKEARN Cc1ccc(COc2cccc(-c3noc(-c4ccc(C#N)cc4)n3)c2)cc1 ZINC000037553588 208182553 /nfs/dbraw/zinc/18/25/53/208182553.db2.gz UNCUDLKADJRUQP-UHFFFAOYSA-N 0 0 367.408 5.163 50 30 FKEARN c1ccc(-c2nc(-c3ccccc3)n(C[C@@H]3CO3)c2-c2ccccc2)cc1 ZINC000037866031 571322644 /nfs/dbraw/zinc/32/26/44/571322644.db2.gz KOPFXNSRBPUPBL-OAQYLSRUSA-N 0 0 352.437 5.283 50 30 FKEARN c1ccc(-c2nc(-c3ccccc3)n(C[C@H]3CO3)c2-c2ccccc2)cc1 ZINC000037866032 571322684 /nfs/dbraw/zinc/32/26/84/571322684.db2.gz KOPFXNSRBPUPBL-NRFANRHFSA-N 0 0 352.437 5.283 50 30 FKEARN C=C(C)CSc1nc(-c2ccccc2)cc(-c2ccc(OC)cc2)c1C#N ZINC000037866221 209326618 /nfs/dbraw/zinc/32/66/18/209326618.db2.gz YJMHURPCWDYBKB-UHFFFAOYSA-N 0 0 372.493 5.964 50 30 FKEARN CCCCCCCCCCCCOCCCCCCCCCCCC ZINC000038140836 205038965 /nfs/dbraw/zinc/03/89/65/205038965.db2.gz CMCBDXRRFKYBDG-UHFFFAOYSA-N 0 0 354.663 8.845 50 30 FKEARN CCCCCCCCOC(=O)c1nc(Cl)c(Cl)c(N)c1Cl ZINC000038145488 520041647 /nfs/dbraw/zinc/04/16/47/520041647.db2.gz CYMBTOZDBGCUJT-UHFFFAOYSA-N 0 0 353.677 5.141 50 30 FKEARN Cc1ccc(/C=C2/CN(Cc3ccccc3)C/C(=C/c3ccc(C)o3)C2=O)o1 ZINC000038194000 571359506 /nfs/dbraw/zinc/35/95/06/571359506.db2.gz RBNINQASNNFITK-FDYZEBBJSA-N 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CCc1nc(C)c(C#N)c(SCc2ccc(-c3ccccc3C#N)cc2)n1 ZINC000040057626 522186013 /nfs/dbraw/zinc/18/60/13/522186013.db2.gz QWEDVTFGIXHDEA-UHFFFAOYSA-N 0 0 370.481 5.050 50 30 FKEARN C(#Cc1cccc(NCc2coc(-c3cccs3)n2)c1)c1cccs1 ZINC000040071588 571072557 /nfs/dbraw/zinc/07/25/57/571072557.db2.gz GFUKMOWNBDGCEM-UHFFFAOYSA-N 0 0 362.479 5.477 50 30 FKEARN CCN(Cc1ncc(-c2ccc(Cl)cc2)o1)[C@@H](C)c1ccc(C#N)cc1 ZINC000040135382 205059261 /nfs/dbraw/zinc/05/92/61/205059261.db2.gz WEHBWYZMNIPVOF-HNNXBMFYSA-N 0 0 365.864 5.450 50 30 FKEARN CCN(Cc1ncc(-c2ccc(Cl)cc2)o1)[C@H](C)c1ccc(C#N)cc1 ZINC000040135383 571083648 /nfs/dbraw/zinc/08/36/48/571083648.db2.gz WEHBWYZMNIPVOF-OAHLLOKOSA-N 0 0 365.864 5.450 50 30 FKEARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1ccco1 ZINC000040145024 208236056 /nfs/dbraw/zinc/23/60/56/208236056.db2.gz BYHFDCGJSVTKIR-JLHYYAGUSA-N 0 0 374.827 5.682 50 30 FKEARN Cc1cccc(C)c1/N=C1\NC(=O)/C(=C/c2cccc3ccccc23)S1 ZINC000040161144 208239628 /nfs/dbraw/zinc/23/96/28/208239628.db2.gz PPNCTIUGMIOQGX-UYRXBGFRSA-N 0 0 358.466 5.348 50 30 FKEARN C/C(=N\c1coc(-c2ccc(C)cc2)n1)Nc1coc(-c2ccc(C)cc2)n1 ZINC000041097540 571083358 /nfs/dbraw/zinc/08/33/58/571083358.db2.gz CFABGCUOFYXBFV-UHFFFAOYSA-N 0 0 372.428 5.775 50 30 FKEARN CCCCC1CCC(c2nc(C#N)c(NCc3ccc(OC)cc3)o2)CC1 ZINC000041154521 571108125 /nfs/dbraw/zinc/10/81/25/571108125.db2.gz GXFLFHZGYOPILP-UHFFFAOYSA-N 0 0 367.493 5.631 50 30 FKEARN C=CCCCCC[C@]12CC[C@](CCCCC=C)(CCCC1)S2(=O)=O ZINC000043199201 571132958 /nfs/dbraw/zinc/13/29/58/571132958.db2.gz VEGVASHTOBIXTM-LEWJYISDSA-N 0 0 352.584 6.130 50 30 FKEARN C=CCCCCC[C@]12CC[C@](CCCCCC=C)(CCCC1)S2(=O)=O ZINC000043199205 571133014 /nfs/dbraw/zinc/13/30/14/571133014.db2.gz XAWGFBQYNDIUJH-SZPZYZBQSA-N 0 0 366.611 6.520 50 30 FKEARN CCCCCCCCCCCCCCCC(=O)Nc1ccc(Cl)cc1 ZINC000043706244 519990403 /nfs/dbraw/zinc/99/04/03/519990403.db2.gz OVRHPHDYSKENNR-UHFFFAOYSA-N 0 0 365.989 7.760 50 30 FKEARN CC(=O)C1=C(c2ccccc2)C(C)=N/C1=C\c1c(C)[nH]cc1-c1ccccc1 ZINC000043756660 208307513 /nfs/dbraw/zinc/30/75/13/208307513.db2.gz BCGWNGPPUZGYLP-UCQKPKSFSA-N 0 0 366.464 5.848 50 30 FKEARN CC(N=Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1ccc(Cl)cc1 ZINC000043761241 518461350 /nfs/dbraw/zinc/46/13/50/518461350.db2.gz BMOPEWDFRDFQAQ-YDZHTSKRSA-N 0 0 367.905 5.210 50 30 FKEARN Cc1ccc(C(C)N=Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 ZINC000043761248 518466649 /nfs/dbraw/zinc/46/66/49/518466649.db2.gz OSUHVDKTKFXJCA-LFVJCYFKSA-N 0 0 357.482 6.108 50 30 FKEARN CC(N=Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1ccncc1 ZINC000043761252 518466898 /nfs/dbraw/zinc/46/68/98/518466898.db2.gz MFTJGMFXIAQTBP-UFFVCSGVSA-N 0 0 363.273 5.348 50 30 FKEARN CC(N=Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1cccnc1 ZINC000043761257 210046562 /nfs/dbraw/zinc/04/65/62/210046562.db2.gz PSDVHTSOMJXYAO-UFFVCSGVSA-N 0 0 363.273 5.348 50 30 FKEARN CC(N=Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1ccccn1 ZINC000043761262 571133102 /nfs/dbraw/zinc/13/31/02/571133102.db2.gz QSKZYNXBMAVWSA-UFFVCSGVSA-N 0 0 363.273 5.348 50 30 FKEARN CC(N=Nc1nc(-c2ccccc2)cs1)c1ccc(Cl)c(Cl)c1 ZINC000043761266 518467667 /nfs/dbraw/zinc/46/76/67/518467667.db2.gz QCCJCNKQMDSUNX-SRZZPIQSSA-N 0 0 362.285 5.953 50 30 FKEARN C[C@@H]1CC(N=Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC(C)(C)C1 ZINC000043761288 571133297 /nfs/dbraw/zinc/13/32/97/571133297.db2.gz KCYVPBHHHASTKN-JITPHZTJSA-N 0 0 358.467 5.332 50 30 FKEARN C[C@H]1CC(N=Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC(C)(C)C1 ZINC000043761289 571133317 /nfs/dbraw/zinc/13/33/17/571133317.db2.gz KCYVPBHHHASTKN-XGERHETISA-N 0 0 358.467 5.332 50 30 FKEARN COc1ccc(-c2csc(N=NC3C[C@@H](C)CC(C)(C)C3)n2)c(O)c1 ZINC000043761290 571133370 /nfs/dbraw/zinc/13/33/70/571133370.db2.gz UDYFEOKNKQAOAJ-JLKNBBFOSA-N 0 0 359.495 5.138 50 30 FKEARN COc1ccc(-c2csc(N=NC3C[C@H](C)CC(C)(C)C3)n2)c(O)c1 ZINC000043761291 210045799 /nfs/dbraw/zinc/04/57/99/210045799.db2.gz UDYFEOKNKQAOAJ-QVEXMKBASA-N 0 0 359.495 5.138 50 30 FKEARN Cc1ccc(-c2csc(N=NC(C)c3cccc4ccccc43)n2)cc1 ZINC000043761311 518461784 /nfs/dbraw/zinc/46/17/84/518461784.db2.gz HHBYHZSVVWWGDZ-LFVJCYFKSA-N 0 0 357.482 5.530 50 30 FKEARN CCCC(N=Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1 ZINC000043761314 210046009 /nfs/dbraw/zinc/04/60/09/210046009.db2.gz SYVCYQCNAIQVNP-OQKWZONESA-N 0 0 355.894 6.080 50 30 FKEARN CCCC(N=Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccccc1 ZINC000043761315 571133347 /nfs/dbraw/zinc/13/33/47/571133347.db2.gz RXUUDZUDMONSTH-HEHNFIMWSA-N 0 0 366.446 5.335 50 30 FKEARN O=[N+]([O-])c1ccc(N=NC2CCCC=CCCCCCC2)c([N+](=O)[O-])c1 ZINC000043761471 571133362 /nfs/dbraw/zinc/13/33/62/571133362.db2.gz HOFFTTCRIJHZHU-QTPFEBJJSA-N 0 0 360.414 5.352 50 30 FKEARN O=[N+]([O-])c1ccc(N=NC2CCCCC23CCCCCC3)c([N+](=O)[O-])c1 ZINC000043761473 571133325 /nfs/dbraw/zinc/13/33/25/571133325.db2.gz UMJYNKGDTXTNRR-LVZFUZTISA-N 0 0 360.414 5.186 50 30 FKEARN O=[N+]([O-])c1ccc(N=NC2CCCCCCC23CCCC3)c([N+](=O)[O-])c1 ZINC000043761476 571133339 /nfs/dbraw/zinc/13/33/39/571133339.db2.gz NJCIUMANRZKXIN-LVZFUZTISA-N 0 0 360.414 5.186 50 30 FKEARN O=[N+]([O-])c1ccc(N=NC2CCCCCC23CCCCC3)c([N+](=O)[O-])c1 ZINC000043761477 210045853 /nfs/dbraw/zinc/04/58/53/210045853.db2.gz PIKICZQLOOEFNY-LVZFUZTISA-N 0 0 360.414 5.186 50 30 FKEARN C[C@]12CC[C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@@H]3[C@@H]1C=CC2=O ZINC000043808049 208308609 /nfs/dbraw/zinc/30/86/09/208308609.db2.gz UJOCQXHOSBJACO-FVEXOFTDSA-N 0 0 358.481 5.467 50 30 FKEARN C[C@]12CC[C@H]3c4ccc(OCc5ccccc5)cc4CC[C@@H]3[C@@H]1C=CC2=O ZINC000043808052 211793033 /nfs/dbraw/zinc/79/30/33/211793033.db2.gz UJOCQXHOSBJACO-LCXINAFSSA-N 0 0 358.481 5.467 50 30 FKEARN C[C@]12CC[C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@H]3[C@@H]1C=CC2=O ZINC000043808054 571101264 /nfs/dbraw/zinc/10/12/64/571101264.db2.gz UJOCQXHOSBJACO-AHCIIZGASA-N 0 0 358.481 5.467 50 30 in-vitro FKEARN C[C@]12CC[C@H]3c4ccc(OCc5ccccc5)cc4CC[C@H]3[C@@H]1C=CC2=O ZINC000043808057 208308962 /nfs/dbraw/zinc/30/89/62/208308962.db2.gz UJOCQXHOSBJACO-AANQFLQQSA-N 0 0 358.481 5.467 50 30 FKEARN CCn1c2ccccc2c2cc(/C=N/N3c4ccccc4C[C@@H]3C)ccc21 ZINC000044075924 571101578 /nfs/dbraw/zinc/10/15/78/571101578.db2.gz TWPXERWDHZWUPC-XUANBZSPSA-N 0 0 353.469 5.600 50 30 FKEARN CCn1c2ccccc2c2cc(/C=N/N3c4ccccc4C[C@H]3C)ccc21 ZINC000044075926 211794929 /nfs/dbraw/zinc/79/49/29/211794929.db2.gz TWPXERWDHZWUPC-GZPJKGAFSA-N 0 0 353.469 5.600 50 30 FKEARN CCCCN(/N=C/c1ccc2c(c1)c1ccccc1n2CC)c1ccccc1 ZINC000044075931 571101423 /nfs/dbraw/zinc/10/14/23/571101423.db2.gz WUJYNCPGAXBZMF-LGUFXXKBSA-N 0 0 369.512 6.455 50 30 FKEARN CCN(/N=C/c1ccc2c(c1)c1ccccc1n2CC)c1ccccc1C ZINC000044075934 205106450 /nfs/dbraw/zinc/10/64/50/205106450.db2.gz ZBZXBQAWGRIJEX-KOEQRZSOSA-N 0 0 355.485 5.983 50 30 FKEARN CCN(/N=C/c1ccc2c(c1)c1ccccc1n2CC)c1cccc(C)c1 ZINC000044075937 571101595 /nfs/dbraw/zinc/10/15/95/571101595.db2.gz VIRJEGJEGJEEDN-KOEQRZSOSA-N 0 0 355.485 5.983 50 30 FKEARN N#CCSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1ccccc1 ZINC000044085359 209313538 /nfs/dbraw/zinc/31/35/38/209313538.db2.gz OSJKDFFURYADLQ-UHFFFAOYSA-N 0 0 360.269 5.462 50 30 FKEARN C=CCSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1ccccc1 ZINC000044085361 571181930 /nfs/dbraw/zinc/18/19/30/571181930.db2.gz UZAIJGKESLQGNB-UHFFFAOYSA-N 0 0 361.297 6.124 50 30 FKEARN C=CCSc1ncc(-c2ccc(Br)cc2)n1-c1ccccc1 ZINC000044085379 206064319 /nfs/dbraw/zinc/06/43/19/206064319.db2.gz PUQWLAVLLNMJIN-UHFFFAOYSA-N 0 0 371.303 5.580 50 30 FKEARN N#CCSc1ncc(-c2ccc(Cl)c(Cl)c2)n1Cc1ccccc1 ZINC000044085455 209312962 /nfs/dbraw/zinc/31/29/62/209312962.db2.gz SYHDDZIDPGDXEN-UHFFFAOYSA-N 0 0 374.296 5.521 50 30 FKEARN C=CCSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(C)cc1 ZINC000044085525 220952265 /nfs/dbraw/zinc/95/22/65/220952265.db2.gz IHTSDOUGDHKIIW-UHFFFAOYSA-N 0 0 351.431 5.034 50 30 FKEARN Cc1ccc(-n2c(-c3ccc(Cl)c(Cl)c3)cnc2SCC#N)cc1 ZINC000044085541 571181936 /nfs/dbraw/zinc/18/19/36/571181936.db2.gz OBGKAJCMDXRBLF-UHFFFAOYSA-N 0 0 374.296 5.770 50 30 FKEARN C=CCSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1C ZINC000044086835 209313714 /nfs/dbraw/zinc/31/37/14/209313714.db2.gz QJLOYGQREGMYGA-UHFFFAOYSA-N 0 0 351.431 5.034 50 30 FKEARN C=CCSc1ncc(-c2ccc(OC)cc2)n1-c1cccc(Cl)c1 ZINC000044087242 571182160 /nfs/dbraw/zinc/18/21/60/571182160.db2.gz FPOAUJIAKKQDQK-UHFFFAOYSA-N 0 0 356.878 5.479 50 30 FKEARN C=CCSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1cccc(Cl)c1 ZINC000044087336 206063479 /nfs/dbraw/zinc/06/34/79/206063479.db2.gz MTDKEQUSLHHKMW-UHFFFAOYSA-N 0 0 371.849 5.379 50 30 FKEARN C=CCSc1ncc(-c2ccc(OC)cc2)n1-c1ccc(Cl)cc1 ZINC000044087507 209313728 /nfs/dbraw/zinc/31/37/28/209313728.db2.gz KWAYVEODRYCEOQ-UHFFFAOYSA-N 0 0 356.878 5.479 50 30 FKEARN N#CCSc1ncc(-c2ccccc2)n1-c1cccc(C(F)(F)F)c1 ZINC000044087666 571182101 /nfs/dbraw/zinc/18/21/01/571182101.db2.gz OCGDTJNQFUFKTI-UHFFFAOYSA-N 0 0 359.376 5.174 50 30 FKEARN C=CCSc1ncc(-c2ccccc2)n1-c1cccc(C(F)(F)F)c1 ZINC000044087668 209313710 /nfs/dbraw/zinc/31/37/10/209313710.db2.gz MRIMXQUSOZOUJK-UHFFFAOYSA-N 0 0 360.404 5.836 50 30 FKEARN Cc1ccc(-c2cnc(SCC#N)n2-c2cccc(C(F)(F)F)c2)cc1 ZINC000044087762 571182040 /nfs/dbraw/zinc/18/20/40/571182040.db2.gz PJDFMKKHJAGJAI-UHFFFAOYSA-N 0 0 373.403 5.482 50 30 FKEARN C=CCSc1ncc(-c2ccc(C)cc2)n1-c1cccc(C(F)(F)F)c1 ZINC000044087764 571182152 /nfs/dbraw/zinc/18/21/52/571182152.db2.gz OQQHEXRPJLDRFG-UHFFFAOYSA-N 0 0 374.431 6.145 50 30 FKEARN C=CCSc1ncc(-c2ccccc2)n1-c1ccc(OC(F)F)cc1 ZINC000044088091 206064185 /nfs/dbraw/zinc/06/41/85/206064185.db2.gz CXRXIIASEGCWNC-UHFFFAOYSA-N 0 0 358.413 5.419 50 30 FKEARN Cc1ccc(-c2cnc(SCC#N)n2-c2ccc(OC(F)F)cc2)cc1 ZINC000044088153 206063706 /nfs/dbraw/zinc/06/37/06/206063706.db2.gz FIYQENVEXKIMQC-UHFFFAOYSA-N 0 0 371.412 5.065 50 30 FKEARN C=CCSc1ncc(-c2ccc(C)cc2)n1-c1ccc(OC(F)F)cc1 ZINC000044088155 209314189 /nfs/dbraw/zinc/31/41/89/209314189.db2.gz BRCFNRXLENUHLP-UHFFFAOYSA-N 0 0 372.440 5.727 50 30 FKEARN CCCCCc1ccc(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)cc1 ZINC000044136973 211797937 /nfs/dbraw/zinc/79/79/37/211797937.db2.gz IJKLNWDDXMHCFX-UHFFFAOYSA-N 0 0 369.464 6.177 50 30 FKEARN CCCCCCCCCCCCCCC=C(C(=O)OCC)C(=O)OCC ZINC000044145997 571101540 /nfs/dbraw/zinc/10/15/40/571101540.db2.gz APIJHPAXMCKJBY-UHFFFAOYSA-N 0 0 368.558 6.130 50 30 in-vitro FKEARN CCCCCCCOC(=O)c1sc2nc(-c3cccnc3)ccc2c1N ZINC000044459932 571101844 /nfs/dbraw/zinc/10/18/44/571101844.db2.gz JENYVAVDUWCGJX-UHFFFAOYSA-N 0 0 369.490 5.068 50 30 FKEARN C(=Nc1ccccc1)C1=C(c2ccccc2)C(=CNc2ccccc2)CCC1 ZINC000044672320 571150803 /nfs/dbraw/zinc/15/08/03/571150803.db2.gz OGSKPHYBLKXWJG-QCRHFXQNSA-N 0 0 364.492 7.023 50 30 FKEARN C/C(=N/OC(=O)c1ccccc1Cl)c1ccc2c(c1)Cc1ccccc1-2 ZINC000044790619 571189555 /nfs/dbraw/zinc/18/95/55/571189555.db2.gz UQNCJHRKXVJXJL-OYKKKHCWSA-N 0 0 361.828 5.492 50 30 FKEARN Cc1ccc(-c2csc(C(C#N)=NNc3cccc(C)c3C)n2)c(C)c1 ZINC000044827479 571102220 /nfs/dbraw/zinc/10/22/20/571102220.db2.gz OZYSBVQJXQKBOO-NCELDCMTSA-N 0 0 360.486 5.384 50 30 FKEARN Cc1ccc(-c2csc(C(C#N)=NNc3cccc(Cl)c3)n2)cc1C ZINC000044827485 571102286 /nfs/dbraw/zinc/10/22/86/571102286.db2.gz LZVBHJWRCQHBHH-JJIBRWJFSA-N 0 0 366.877 5.420 50 30 FKEARN O=C(C=CNc1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)OCO2 ZINC000044842455 570901142 /nfs/dbraw/zinc/90/11/42/570901142.db2.gz SGHKEHPBXONLLH-OUKQBFOZSA-N 0 0 359.381 5.016 50 30 FKEARN CCCCOc1ccc(C(=O)C=CNc2ccc(CCCC)cc2)cc1 ZINC000044842916 570901078 /nfs/dbraw/zinc/90/10/78/570901078.db2.gz BROAETDVZLWVEK-WUKNDPDISA-N 0 0 351.490 6.017 50 30 FKEARN CCCCOc1ccc(C(=O)C=CNc2ccc(Cl)cc2Cl)cc1 ZINC000044843126 570901563 /nfs/dbraw/zinc/90/15/63/570901563.db2.gz VWCUMOCJRHUSCN-ZHACJKMWSA-N 0 0 364.272 5.981 50 30 FKEARN CCCCOc1ccc(C(=O)C=CNc2ccc(Cl)c(Cl)c2)cc1 ZINC000044843131 570901673 /nfs/dbraw/zinc/90/16/73/570901673.db2.gz MHZZYRHBCXSNFN-ZHACJKMWSA-N 0 0 364.272 5.981 50 30 FKEARN CCCCOc1ccc(C(=O)C=CNc2cc(Cl)cc(Cl)c2)cc1 ZINC000044843136 570901500 /nfs/dbraw/zinc/90/15/00/570901500.db2.gz XRPIITVONMYTIL-CMDGGOBGSA-N 0 0 364.272 5.981 50 30 FKEARN CCCCOc1ccc(C(=O)C=CNc2ccccc2Br)cc1 ZINC000044843140 570901619 /nfs/dbraw/zinc/90/16/19/570901619.db2.gz WHNWLFQGKFHTNX-OUKQBFOZSA-N 0 0 374.278 5.437 50 30 FKEARN CCCCOc1ccc(C(=O)C=CNc2cccc(Br)c2)cc1 ZINC000044843145 570901589 /nfs/dbraw/zinc/90/15/89/570901589.db2.gz QYGGJSIATBASJM-VAWYXSNFSA-N 0 0 374.278 5.437 50 30 FKEARN CCCCOc1ccc(C(=O)C=CNc2ccc(Br)cc2)cc1 ZINC000044843150 570901650 /nfs/dbraw/zinc/90/16/50/570901650.db2.gz MWTHEZHLVLVGJN-OUKQBFOZSA-N 0 0 374.278 5.437 50 30 FKEARN CCCCOc1ccc(C(=O)C=CNc2ccccc2C(F)(F)F)cc1 ZINC000044843192 570901593 /nfs/dbraw/zinc/90/15/93/570901593.db2.gz AGOQHRBOUHQPNR-OUKQBFOZSA-N 0 0 363.379 5.693 50 30 FKEARN CCCCOc1ccc(C(=O)C=CNc2cccc(C(F)(F)F)c2)cc1 ZINC000044843197 570901614 /nfs/dbraw/zinc/90/16/14/570901614.db2.gz UXFCXDMSBQKNJJ-VAWYXSNFSA-N 0 0 363.379 5.693 50 30 FKEARN CCCCOc1ccc(C(=O)C=CNc2ccc(C(F)(F)F)cc2)cc1 ZINC000044843202 570901524 /nfs/dbraw/zinc/90/15/24/570901524.db2.gz HRCPBAFTFDAAEU-OUKQBFOZSA-N 0 0 363.379 5.693 50 30 FKEARN CCCCOc1ccc(C(=O)C=CNc2ccc(OC)c(Cl)c2)cc1 ZINC000044843267 570901677 /nfs/dbraw/zinc/90/16/77/570901677.db2.gz BETSQYGHXWFHGG-VAWYXSNFSA-N 0 0 359.853 5.336 50 30 FKEARN CCCCOc1ccc(C(=O)C=CNc2cc(Cl)ccc2OC)cc1 ZINC000044843272 570901637 /nfs/dbraw/zinc/90/16/37/570901637.db2.gz LAUHWFWHUSTYBX-VAWYXSNFSA-N 0 0 359.853 5.336 50 30 FKEARN O=C(C=CNc1cccc2c1CCCC2)c1ccc(Br)cc1 ZINC000044843385 570901645 /nfs/dbraw/zinc/90/16/45/570901645.db2.gz YBEKRYNNAZEEFS-OUKQBFOZSA-N 0 0 356.263 5.136 50 30 FKEARN O=C(C=CNc1ccc(F)cc1Cl)c1ccc(Br)cc1 ZINC000044843465 570901695 /nfs/dbraw/zinc/90/16/95/570901695.db2.gz LZFFQAMABVZFTL-BQYQJAHWSA-N 0 0 354.606 5.050 50 30 FKEARN Cc1ccc(NC=CC(=O)c2ccc(Br)cc2)c(Cl)c1 ZINC000044843503 570901687 /nfs/dbraw/zinc/90/16/87/570901687.db2.gz QCQDOLQJTIVTPW-CMDGGOBGSA-N 0 0 350.643 5.219 50 30 FKEARN Cc1cc(NC=CC(=O)c2ccc(Br)cc2)ccc1Cl ZINC000044843527 570901623 /nfs/dbraw/zinc/90/16/23/570901623.db2.gz IRBRVTRSZPDJQO-CMDGGOBGSA-N 0 0 350.643 5.219 50 30 FKEARN Cc1ccc(C(=O)C=CNc2ccc(OCc3ccccc3)cc2)cc1C ZINC000044843927 570901567 /nfs/dbraw/zinc/90/15/67/570901567.db2.gz OQVOOVFNXCDAHQ-CCEZHUSRSA-N 0 0 357.453 5.691 50 30 FKEARN Cc1ccc(C(=O)C=CNc2ccccc2C(=O)c2ccccc2)cc1C ZINC000044843960 570901496 /nfs/dbraw/zinc/90/14/96/570901496.db2.gz MXKFELQBIHIIDA-CCEZHUSRSA-N 0 0 355.437 5.343 50 30 FKEARN CCCCOC(=O)c1ccc(NC=CC(=O)c2ccc(C)c(C)c2)cc1 ZINC000044844013 570901579 /nfs/dbraw/zinc/90/15/79/570901579.db2.gz AJTDTRLWSNPECE-OUKQBFOZSA-N 0 0 351.446 5.069 50 30 FKEARN Cc1ccc(C(=O)C=CNc2ccc(Cl)c(C(F)(F)F)c2)cc1C ZINC000044844259 570901603 /nfs/dbraw/zinc/90/16/03/570901603.db2.gz QEEZOKARQIAVAQ-BQYQJAHWSA-N 0 0 353.771 5.784 50 30 FKEARN Cc1ccc(C(=O)C=CNc2ccc(Cl)cc2C(F)(F)F)cc1C ZINC000044844264 570901548 /nfs/dbraw/zinc/90/15/48/570901548.db2.gz FYCIHSQPTRVXQD-BQYQJAHWSA-N 0 0 353.771 5.784 50 30 FKEARN Cc1ccc(C)c(C(=O)C=CNc2ccc(OCc3ccccc3)cc2)c1 ZINC000044844396 570901657 /nfs/dbraw/zinc/90/16/57/570901657.db2.gz FBTYDLURPSMYCL-CCEZHUSRSA-N 0 0 357.453 5.691 50 30 FKEARN CCCCOC(=O)c1ccc(NC=CC(=O)c2cc(C)ccc2C)cc1 ZINC000044844463 570901668 /nfs/dbraw/zinc/90/16/68/570901668.db2.gz PYIRZDPWQSBRRF-OUKQBFOZSA-N 0 0 351.446 5.069 50 30 FKEARN O=C(C=CNc1cc(Cl)ccc1Cl)c1ccc(Br)cc1 ZINC000044974949 205116766 /nfs/dbraw/zinc/11/67/66/205116766.db2.gz AMXNWWZMWAADDZ-BQYQJAHWSA-N 0 0 371.061 5.564 50 30 FKEARN Cc1ccc(C(=O)/C=C\c2nc3ccccc3n2Cc2ccccc2)cc1 ZINC000045009149 570904238 /nfs/dbraw/zinc/90/42/38/570904238.db2.gz GQKPJNVOWNWQHW-NXVVXOECSA-N 0 0 352.437 5.289 50 30 FKEARN C=CCCCC[C@](C)(c1ccccc1)C(O)(c1ccccc1)c1ccccc1 ZINC000045074590 571133637 /nfs/dbraw/zinc/13/36/37/571133637.db2.gz MSWMRTOGZSGSFI-AREMUKBSSA-N 0 0 370.536 6.627 50 30 FKEARN C=CCCCC[C@@](C)(c1ccccc1)C(O)(c1ccccc1)c1ccccc1 ZINC000045074591 571133660 /nfs/dbraw/zinc/13/36/60/571133660.db2.gz MSWMRTOGZSGSFI-SANMLTNESA-N 0 0 370.536 6.627 50 30 FKEARN C=CCc1ccccc1Oc1nc2ccccc2nc1N1CCC(C)CC1 ZINC000045900759 132301383 /nfs/dbraw/zinc/30/13/83/132301383.db2.gz NBYDFTLHZIMUAR-UHFFFAOYSA-N 0 0 359.473 5.387 50 30 FKEARN Cc1ccccc1/C=C/C(=O)c1c(C)nc2ccccc2c1-c1ccccc1 ZINC000046085323 570926231 /nfs/dbraw/zinc/92/62/31/570926231.db2.gz ACZFAIBDUYDSFL-WUKNDPDISA-N 0 0 363.460 6.415 50 30 FKEARN CC1CCC2(CC1)Nc1ccccc1NC2=NCc1ccc(F)c(Cl)c1 ZINC000046152916 205133205 /nfs/dbraw/zinc/13/32/05/205133205.db2.gz ZUGFZGAVVRBMQZ-UHFFFAOYSA-N 0 0 371.887 5.864 50 30 FKEARN Clc1ccccc1CN=C1Nc2ccccc2NC12CCCCCC2 ZINC000046153039 208360617 /nfs/dbraw/zinc/36/06/17/208360617.db2.gz XODKSVDMDRBFGT-UHFFFAOYSA-N 0 0 353.897 5.869 50 30 FKEARN Cc1ccccc1CN=C1Nc2cc(C)c(C)cc2NC12CCCCCC2 ZINC000046153051 208361908 /nfs/dbraw/zinc/36/19/08/208361908.db2.gz QOVTUQVOSRTIOG-UHFFFAOYSA-N 0 0 361.533 6.141 50 30 FKEARN Cc1cc2c(cc1C)NC1(CCCCCC1)C(=NCc1ccc(F)cc1)N2 ZINC000046153054 205133162 /nfs/dbraw/zinc/13/31/62/205133162.db2.gz DGXLYVZHEWBLLX-UHFFFAOYSA-N 0 0 365.496 5.972 50 30 FKEARN Cc1cc2c(cc1C)NC1(CCCCCC1)C(=NCc1cccc(F)c1)N2 ZINC000046153072 570451716 /nfs/dbraw/zinc/45/17/16/570451716.db2.gz IYBBYCGEEGXOHE-UHFFFAOYSA-N 0 0 365.496 5.972 50 30 FKEARN C=CCN(C(=O)c1c(C)oc2c1c(F)c(F)c(F)c2F)c1ccccc1 ZINC000048364708 570952050 /nfs/dbraw/zinc/95/20/50/570952050.db2.gz CZXOGYCUHKIYAF-UHFFFAOYSA-N 0 0 363.310 5.130 50 30 FKEARN C=CCOc1cc2oc(CC)c(Oc3ccc(F)cc3)c(=O)c2cc1C ZINC000048533811 571308666 /nfs/dbraw/zinc/30/86/66/571308666.db2.gz SQUCSMMFUAVOGI-UHFFFAOYSA-N 0 0 354.377 5.160 50 30 FKEARN CC#CCCCCCCCC(=O)Nc1cccc(Br)c1C ZINC000048534338 571308793 /nfs/dbraw/zinc/30/87/93/571308793.db2.gz XXKPOYACEIGYEL-UHFFFAOYSA-N 0 0 350.300 5.450 50 30 FKEARN Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(C)Cc2ccccc2)cc1 ZINC000049629727 570964814 /nfs/dbraw/zinc/96/48/14/570964814.db2.gz WDEJXGHKGHXFBD-QFIPXVFZSA-N 0 0 350.506 5.457 50 30 FKEARN CCCCCCCCCCCCOCCCNC(=O)c1cccc(N)c1 ZINC000049722824 571133595 /nfs/dbraw/zinc/13/35/95/571133595.db2.gz DEENFHPOCNYUFP-UHFFFAOYSA-N 0 0 362.558 5.326 50 30 FKEARN CCCCCCCCCCCCCCCC(=O)Nc1ccc(OC)cc1 ZINC000049761788 571133610 /nfs/dbraw/zinc/13/36/10/571133610.db2.gz FTOITOZVQYKKNO-UHFFFAOYSA-N 0 0 361.570 7.115 50 30 FKEARN CCCCN=C(Nc1ccc(Cl)cc1)c1cccc(C(F)(F)F)c1 ZINC000049772139 570966085 /nfs/dbraw/zinc/96/60/85/570966085.db2.gz WTZSEDSTEZOCKG-UHFFFAOYSA-N 0 0 354.803 5.827 50 30 FKEARN Fc1c(F)c(C#Cc2ccccc2)c(F)c(F)c1C#Cc1ccccc1 ZINC000050063378 221030765 /nfs/dbraw/zinc/03/07/65/221030765.db2.gz ZNPXKSNJBLIZIP-UHFFFAOYSA-N 0 0 350.314 5.043 50 30 FKEARN CN(CCC#N)c1ccc(C=C(Cl)c2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000050580151 221031654 /nfs/dbraw/zinc/03/16/54/221031654.db2.gz PSVYYEFPKNVMAZ-LFIBNONCSA-N 0 0 371.271 5.303 50 30 FKEARN O=C(/C(=C\c1c[nH]c2ccccc12)c1nc2ccccc2[nH]1)c1ccco1 ZINC000050647527 205179784 /nfs/dbraw/zinc/17/97/84/205179784.db2.gz OFXHLUQJWDADLZ-FOWTUZBSSA-N 0 0 353.381 5.061 50 30 FKEARN Oc1ccc(Cl)cc1C=Nc1ccc2[nH]c(-c3ccc(F)cc3)nc2c1 ZINC000050704565 570550261 /nfs/dbraw/zinc/55/02/61/570550261.db2.gz OZJMQDKRCMPTRK-FOKLQQMPSA-N 0 0 365.795 5.479 50 30 FKEARN CCCCCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1Cl ZINC000050704748 221031757 /nfs/dbraw/zinc/03/17/57/221031757.db2.gz FVJBLXCPMDSGJH-UHFFFAOYSA-N 0 0 353.897 6.224 50 30 FKEARN CCCCCCCCNc1cc(C(C)C)c(C#N)c2nc3ccccc3n21 ZINC000050860136 221033877 /nfs/dbraw/zinc/03/38/77/221033877.db2.gz UHJQFWKBHFCHGC-UHFFFAOYSA-N 0 0 362.521 6.255 50 30 FKEARN CCCCCCCCCCn1c(COc2ccccc2)nc2ccccc21 ZINC000050860142 221033618 /nfs/dbraw/zinc/03/36/18/221033618.db2.gz CRNKFGLQJXPDQS-UHFFFAOYSA-N 0 0 364.533 6.756 50 30 FKEARN CCCCCCCn1c2ccccc2nc1/N=C/c1c[nH]c2ccccc12 ZINC000050860171 570623985 /nfs/dbraw/zinc/62/39/85/570623985.db2.gz CQHMFLLPLGFJPR-KOEQRZSOSA-N 0 0 358.489 6.239 50 30 FKEARN CCCCCCCCn1c2ccccc2nc1/N=C/c1c[nH]c2ccccc12 ZINC000050860180 211900090 /nfs/dbraw/zinc/90/00/90/211900090.db2.gz DBGZATUOXSMUSQ-NLRVBDNBSA-N 0 0 372.516 6.629 50 30 FKEARN CCCCCCCn1c2ccccc2nc1NC(=O)c1ccc(Cl)cc1 ZINC000050860290 205179778 /nfs/dbraw/zinc/17/97/78/205179778.db2.gz CEZWRTNKQZULNL-UHFFFAOYSA-N 0 0 369.896 5.334 50 30 FKEARN CCCCCCCn1c2ccccc2nc1/N=C/c1nc2ccccc2n1C ZINC000050860292 570624113 /nfs/dbraw/zinc/62/41/13/570624113.db2.gz HHSQEVRPGIGDQR-JJIBRWJFSA-N 0 0 373.504 5.644 50 30 FKEARN CCCCCCCn1c2ccccc2nc1-c1ccc(OC)c(OC)c1 ZINC000050860320 520071555 /nfs/dbraw/zinc/07/15/55/520071555.db2.gz KFYJEPHZMQTQMI-UHFFFAOYSA-N 0 0 352.478 5.691 50 30 FKEARN CCCCCCCCNc1c(CC)c(C)c(C#N)c2nc3ccccc3n21 ZINC000050860490 571110795 /nfs/dbraw/zinc/11/07/95/571110795.db2.gz XOMPRNKEAPCYKP-UHFFFAOYSA-N 0 0 362.521 6.002 50 30 FKEARN CCCCCCCCCn1c(COc2ccccc2)nc2ccccc21 ZINC000050861272 570624207 /nfs/dbraw/zinc/62/42/07/570624207.db2.gz LCJUPPADBUVXFJ-UHFFFAOYSA-N 0 0 350.506 6.366 50 30 FKEARN CCCCCCCCCCCn1c2ccccc2nc1Cc1ccccc1 ZINC000050861319 205179680 /nfs/dbraw/zinc/17/96/80/205179680.db2.gz TZYNWMKOKSQTNL-UHFFFAOYSA-N 0 0 362.561 7.158 50 30 FKEARN CCCCCCCCCCn1c2ccccc2nc1-c1ccc(OC)cc1 ZINC000050861326 520026669 /nfs/dbraw/zinc/02/66/69/520026669.db2.gz LFKQDSSPAKKGTG-UHFFFAOYSA-N 0 0 364.533 6.853 50 30 FKEARN CCCCCCCCn1c2ccccc2nc1-c1ccc(OC)c(OC)c1 ZINC000050861337 520051046 /nfs/dbraw/zinc/05/10/46/520051046.db2.gz RVDSIQMJUTVGGK-UHFFFAOYSA-N 0 0 366.505 6.081 50 30 FKEARN CCCCCCCCNC(=O)c1ccc2c(c1)ncn2-c1cccc(C)c1 ZINC000050861896 205179246 /nfs/dbraw/zinc/17/92/46/205179246.db2.gz QZYFJMWBCUVBGU-UHFFFAOYSA-N 0 0 363.505 5.424 50 30 FKEARN CCCCCCCNC(=O)c1ccc2c(c1)ncn2-c1ccc(C)cc1C ZINC000050861904 570624426 /nfs/dbraw/zinc/62/44/26/570624426.db2.gz KMBAVLNQVMNXOU-UHFFFAOYSA-N 0 0 363.505 5.343 50 30 FKEARN CCCCCCCCNC(=O)c1ccc2c(c1)ncn2-c1cccc(F)c1 ZINC000050861913 570624452 /nfs/dbraw/zinc/62/44/52/570624452.db2.gz RKBKRHSOBNAYES-UHFFFAOYSA-N 0 0 367.468 5.255 50 30 FKEARN CCCCCCCNC(=O)c1ccc2c(c1)ncn2-c1ccc(F)c(F)c1 ZINC000050861930 520055337 /nfs/dbraw/zinc/05/53/37/520055337.db2.gz XYODHPMRAMOULN-UHFFFAOYSA-N 0 0 371.431 5.004 50 30 FKEARN CCN(CC)c1ccc(C=Nc2ccc3[nH]c(-c4ccccc4)nc3c2)cc1 ZINC000051075261 520882332 /nfs/dbraw/zinc/88/23/32/520882332.db2.gz FQFQSDNXIZPZFA-KOEQRZSOSA-N 0 0 368.484 5.827 50 30 FKEARN O=C(C=CNc1cccc(Cl)c1F)c1ccc(Br)cc1 ZINC000051318599 221034455 /nfs/dbraw/zinc/03/44/55/221034455.db2.gz NIRSFORUYXFPEK-CMDGGOBGSA-N 0 0 354.606 5.050 50 30 FKEARN Cc1cc(Cl)ccc1NC=CC(=O)c1ccc(Br)cc1 ZINC000051318600 221035097 /nfs/dbraw/zinc/03/50/97/221035097.db2.gz CNQWKEJQQZTOLX-CMDGGOBGSA-N 0 0 350.643 5.219 50 30 FKEARN Cc1cccc(Cl)c1NC=CC(=O)c1ccc(Br)cc1 ZINC000051318602 221034742 /nfs/dbraw/zinc/03/47/42/221034742.db2.gz XZZKUBRYAHKXPU-MDZDMXLPSA-N 0 0 350.643 5.219 50 30 FKEARN O=C(C=CNc1cc(Cl)ccc1F)c1ccc(Br)cc1 ZINC000051318609 570865668 /nfs/dbraw/zinc/86/56/68/570865668.db2.gz XWDDAEZKSSYTIP-BQYQJAHWSA-N 0 0 354.606 5.050 50 30 FKEARN CC(C)c1ccc(C(=O)C=CNc2ccc(OCc3ccccc3)cc2)cc1 ZINC000051318637 519834356 /nfs/dbraw/zinc/83/43/56/519834356.db2.gz BDZPPUCEMLOIBY-WUKNDPDISA-N 0 0 371.480 6.198 50 30 FKEARN CC(C)c1ccc(C(=O)C=CNc2ccc(Oc3ccccc3)cc2)cc1 ZINC000051318639 519834306 /nfs/dbraw/zinc/83/43/06/519834306.db2.gz JWAASPZECQIMIW-WUKNDPDISA-N 0 0 357.453 6.411 50 30 FKEARN CCN(CC)c1ccc(NC=CC(=O)c2ccc(C(C)C)cc2)c(C)c1 ZINC000051318642 520913631 /nfs/dbraw/zinc/91/36/31/520913631.db2.gz KSNJHNYBUNBSFR-CCEZHUSRSA-N 0 0 350.506 5.773 50 30 FKEARN CC(C)c1ccc(C(=O)C=CNc2ccccc2C(=O)c2ccccc2)cc1 ZINC000051318647 221034895 /nfs/dbraw/zinc/03/48/95/221034895.db2.gz JLYJHSOLYMNUDP-WUKNDPDISA-N 0 0 369.464 5.850 50 30 FKEARN CCCCOC(=O)c1ccc(NC=CC(=O)c2ccc(C(C)C)cc2)cc1 ZINC000051318658 520721159 /nfs/dbraw/zinc/72/11/59/520721159.db2.gz VQTLTTQZYBPGSX-CCEZHUSRSA-N 0 0 365.473 5.575 50 30 FKEARN CC(C)c1ccc(C(=O)C=CNc2ccc(Br)cc2F)cc1 ZINC000051318692 205182127 /nfs/dbraw/zinc/18/21/27/205182127.db2.gz IYUPBBLZHRRWFX-MDZDMXLPSA-N 0 0 362.242 5.520 50 30 FKEARN CC(C)c1ccc(C(=O)C=CNc2ccc(F)cc2Br)cc1 ZINC000051318694 205181961 /nfs/dbraw/zinc/18/19/61/205181961.db2.gz ZHJKFEVJINDXBB-MDZDMXLPSA-N 0 0 362.242 5.520 50 30 FKEARN Cc1cc(Br)ccc1NC=CC(=O)c1ccc(C(C)C)cc1 ZINC000051318716 526167417 /nfs/dbraw/zinc/16/74/17/526167417.db2.gz WWOBZKGRXFPJOK-ZHACJKMWSA-N 0 0 358.279 5.689 50 30 FKEARN Cc1cc(NC=CC(=O)c2ccc(C(C)C)cc2)ccc1Br ZINC000051318718 525044551 /nfs/dbraw/zinc/04/45/51/525044551.db2.gz WMRGGFPGKDIFGU-ZHACJKMWSA-N 0 0 358.279 5.689 50 30 FKEARN Cc1ccc(NC=CC(=O)c2ccc(C(C)C)cc2)c(Br)c1 ZINC000051318725 205182624 /nfs/dbraw/zinc/18/26/24/205182624.db2.gz YOCLOTRVFHPGBZ-ZHACJKMWSA-N 0 0 358.279 5.689 50 30 FKEARN COc1cc(OC)c(NC=CC(=O)c2ccc(C(C)C)cc2)cc1Cl ZINC000051318730 522795579 /nfs/dbraw/zinc/79/55/79/522795579.db2.gz RIANMIZAZUENRE-MDZDMXLPSA-N 0 0 359.853 5.289 50 30 FKEARN COc1cc(NC=CC(=O)c2ccc(C(C)C)cc2)c(OC)cc1Cl ZINC000051318732 522629796 /nfs/dbraw/zinc/62/97/96/522629796.db2.gz TXMHJOAIYNTHIT-MDZDMXLPSA-N 0 0 359.853 5.289 50 30 FKEARN CC(C)c1ccc(C(=O)C=CNc2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000051318736 221035171 /nfs/dbraw/zinc/03/51/71/221035171.db2.gz XBXWLDNFDIFBGD-MDZDMXLPSA-N 0 0 367.798 6.291 50 30 FKEARN CCOc1ccc(C(=O)C=CNc2ccc(OCc3ccccc3)cc2)cc1 ZINC000051318790 520871692 /nfs/dbraw/zinc/87/16/92/520871692.db2.gz DPNUMDWNFUNPKL-WUKNDPDISA-N 0 0 373.452 5.473 50 30 FKEARN CCOc1ccc(C(=O)C=CNc2ccc(Oc3ccccc3)cc2)cc1 ZINC000051318792 520871627 /nfs/dbraw/zinc/87/16/27/520871627.db2.gz RBTMAAJCABHNKQ-WUKNDPDISA-N 0 0 359.425 5.686 50 30 FKEARN CCOc1ccc(C(=O)C=CNc2ccc(N(CC)CC)cc2C)cc1 ZINC000051318797 520872486 /nfs/dbraw/zinc/87/24/86/520872486.db2.gz YWPUDAGCNUUMOH-CCEZHUSRSA-N 0 0 352.478 5.048 50 30 FKEARN CCOc1ccc(C(=O)C=CNc2ccccc2C(=O)c2ccccc2)cc1 ZINC000051318804 520871885 /nfs/dbraw/zinc/87/18/85/520871885.db2.gz QCSWLFBPPDWZBH-WUKNDPDISA-N 0 0 371.436 5.125 50 30 FKEARN CCOc1ccc(C(=O)C=CNc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000051318913 221034994 /nfs/dbraw/zinc/03/49/94/221034994.db2.gz BTMYJQUBBGFIGM-MDZDMXLPSA-N 0 0 369.770 5.566 50 30 FKEARN CCOc1ccc(C(=O)C=CNc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000051318915 205182463 /nfs/dbraw/zinc/18/24/63/205182463.db2.gz MGYHYEQKCDPTFO-MDZDMXLPSA-N 0 0 369.770 5.566 50 30 FKEARN CCOc1ccc(C(=O)C=CNc2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000051318916 221034341 /nfs/dbraw/zinc/03/43/41/221034341.db2.gz MXNCMODGFPSZBJ-MDZDMXLPSA-N 0 0 369.770 5.566 50 30 FKEARN O=C(/C=C/c1cc(Br)ccc1O)c1ccc(Cl)c(Cl)c1 ZINC000051330039 205182423 /nfs/dbraw/zinc/18/24/23/205182423.db2.gz RDZORIRJZATANU-GORDUTHDSA-N 0 0 372.045 5.358 50 30 FKEARN Clc1ccc(/C=C2\CCC/C(=C\c3ccc(Cl)cc3)C23CO3)cc1 ZINC000051330045 205182448 /nfs/dbraw/zinc/18/24/48/205182448.db2.gz XRNIJGTWGQRMME-PWDIZTEBSA-N 0 0 357.280 6.413 50 30 FKEARN Cc1cc(C#N)cc(C)c1Oc1cc(Cl)cc(Nc2ccc(C#N)cc2)c1 ZINC000052507833 571189453 /nfs/dbraw/zinc/18/94/53/571189453.db2.gz GOFGCEQUUWDIAH-UHFFFAOYSA-N 0 0 373.843 6.236 50 30 FKEARN CN(C)/C=C/c1snc(SCc2c(Cl)cccc2Cl)c1C#N ZINC000052525243 205185648 /nfs/dbraw/zinc/18/56/48/205185648.db2.gz KKKMTBRVBMLJTD-VOTSOKGWSA-N 0 0 370.330 5.146 50 30 FKEARN CN(C)/C=C/c1snc(SCc2ccc(Cl)cc2Cl)c1C#N ZINC000052525248 205186176 /nfs/dbraw/zinc/18/61/76/205186176.db2.gz DILSYZXYXYQZDS-AATRIKPKSA-N 0 0 370.330 5.146 50 30 FKEARN CCCCCCCCCC(=O)Nc1c2c(nc3ccccc31)N(C)CC2 ZINC000053353508 571112408 /nfs/dbraw/zinc/11/24/08/571112408.db2.gz VHVFTXKXROBKDT-UHFFFAOYSA-N 0 0 353.510 5.306 50 30 FKEARN CC(=O)N(c1nc(/C=C\C(=O)C2CCCCC2)cs1)c1ccc(C)cc1 ZINC000054897759 519474862 /nfs/dbraw/zinc/47/48/62/519474862.db2.gz GPOFGTOZSPDXMS-RAXLEYEMSA-N 0 0 368.502 5.299 50 30 FKEARN CC(=O)N(c1nc(/C=C/C(=O)C2CCCCC2)cs1)c1ccc(C)cc1 ZINC000054897763 519474820 /nfs/dbraw/zinc/47/48/20/519474820.db2.gz GPOFGTOZSPDXMS-JLHYYAGUSA-N 0 0 368.502 5.299 50 30 FKEARN CC(=O)N(c1nc(/C=C\C(=O)C2CCCCC2)cs1)c1ccc(F)cc1 ZINC000054897772 519473805 /nfs/dbraw/zinc/47/38/05/519473805.db2.gz JMXYFZDDHBWAQS-XFXZXTDPSA-N 0 0 372.465 5.129 50 30 FKEARN CC(=O)N(c1nc(/C=C/C(=O)C2CCCCC2)cs1)c1ccc(F)cc1 ZINC000054897776 519474524 /nfs/dbraw/zinc/47/45/24/519474524.db2.gz JMXYFZDDHBWAQS-FMIVXFBMSA-N 0 0 372.465 5.129 50 30 FKEARN O=C(/C=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21)c1ccccc1 ZINC000055174968 571321152 /nfs/dbraw/zinc/32/11/52/571321152.db2.gz ZSXGIPGLQKXMHE-ZHZULCJRSA-N 0 0 373.839 5.153 50 30 FKEARN N#CCCCOc1cccc(NC(=O)c2cc(F)c(Cl)cc2Cl)c1 ZINC000055569461 571337957 /nfs/dbraw/zinc/33/79/57/571337957.db2.gz NRIJCXMTQMXSPJ-UHFFFAOYSA-N 0 0 367.207 5.067 50 30 FKEARN CCc1ccc(C(=O)/C=C/c2cc3ccc(OC)cc3nc2Cl)cc1 ZINC000057457776 221089949 /nfs/dbraw/zinc/08/99/49/221089949.db2.gz CGUCMNRIRBTBON-PKNBQFBNSA-N 0 0 351.833 5.355 50 30 FKEARN C=CCn1c(SCc2nc3ccccc3s2)nnc1-c1ccccc1 ZINC000058122802 221097901 /nfs/dbraw/zinc/09/79/01/221097901.db2.gz MWHBTNLGSMYVEF-UHFFFAOYSA-N 0 0 364.499 5.033 50 30 FKEARN C=CCN(Cc1cccs1)C(=O)c1ccc(Sc2ccccn2)cc1 ZINC000058139745 571348618 /nfs/dbraw/zinc/34/86/18/571348618.db2.gz LMKFVJJHENXKTM-UHFFFAOYSA-N 0 0 366.511 5.123 50 30 FKEARN Cc1ccc(/C=C/C(=O)c2c(C)nc3ccccc3c2-c2ccccc2)cc1 ZINC000058196794 205258914 /nfs/dbraw/zinc/25/89/14/205258914.db2.gz MGYUHMDEPGMQCS-WUKNDPDISA-N 0 0 363.460 6.415 50 30 FKEARN Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)/C=C/c1ccc(F)cc1 ZINC000058268816 221112362 /nfs/dbraw/zinc/11/23/62/221112362.db2.gz ZXXQYHUKPNBJPO-DTQAZKPQSA-N 0 0 367.423 6.245 50 30 FKEARN Cc1ccc(/C=C/C(=O)c2c(=O)[nH]c3ccccc3c2-c2ccccc2)cc1 ZINC000058324576 571350653 /nfs/dbraw/zinc/35/06/53/571350653.db2.gz HSCXCXDBJWCZBB-FOCLMDBBSA-N 0 0 365.432 5.400 50 30 FKEARN CN(Cc1cccc(C#N)c1)C(=O)C1(c2cccc(Cl)c2)CCCCC1 ZINC000058345429 212006321 /nfs/dbraw/zinc/00/63/21/212006321.db2.gz TYHFAJCKXQBGPX-UHFFFAOYSA-N 0 0 366.892 5.072 50 30 FKEARN O=C(/C=C/c1ccc(OCc2cscn2)cc1)c1ccc(F)c(Cl)c1 ZINC000058381579 571131891 /nfs/dbraw/zinc/13/18/91/571131891.db2.gz UYZFSTOKWYEDOZ-FPYGCLRLSA-N 0 0 373.836 5.411 50 30 FKEARN O=C(/C=C/c1csc(-c2ccco2)n1)c1ccc(OC(F)(F)F)cc1 ZINC000058381808 571131906 /nfs/dbraw/zinc/13/19/06/571131906.db2.gz QSOJRNZDHZHIJA-VMPITWQZSA-N 0 0 365.332 5.198 50 30 FKEARN O=C(/C=C/c1cnc(-c2ccccc2)nc1)c1cc2cc(Cl)ccc2o1 ZINC000058406499 571132335 /nfs/dbraw/zinc/13/23/35/571132335.db2.gz MJQHTANTWBMEMY-SOFGYWHQSA-N 0 0 360.800 5.439 50 30 FKEARN O=C(/C=C/c1cnc(-c2ccccc2)nc1)c1cccc(C(F)(F)F)c1 ZINC000058406972 205274324 /nfs/dbraw/zinc/27/43/24/205274324.db2.gz FEMVNFHDXMHTLY-MDZDMXLPSA-N 0 0 354.331 5.059 50 30 FKEARN Cc1ccc(C#N)cc1NC(=O)N(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000058452115 221120629 /nfs/dbraw/zinc/12/06/29/221120629.db2.gz HIXMNIKNPCMJGJ-UHFFFAOYSA-N 0 0 373.378 5.082 50 30 FKEARN O=C(/C=C/c1ccccc1OCc1ccccn1)c1ccc(Cl)s1 ZINC000058571244 527636133 /nfs/dbraw/zinc/63/61/33/527636133.db2.gz IOVQWEOTTSASLU-CMDGGOBGSA-N 0 0 355.846 5.272 50 30 FKEARN C=CCN(Cc1ccc(Cl)s1)C(=O)C1(c2cccc(F)c2)CCC1 ZINC000058612473 518780322 /nfs/dbraw/zinc/78/03/22/518780322.db2.gz ZCEVAKLQOQNPMD-UHFFFAOYSA-N 0 0 363.885 5.177 50 30 FKEARN COc1cc(C)c(/C=N/N(c2ccccc2)c2ccccc2)cc1C(C)C ZINC000059161029 205279507 /nfs/dbraw/zinc/27/95/07/205279507.db2.gz GPMYOVQSXPLDBB-KOEQRZSOSA-N 0 0 358.485 6.299 50 30 FKEARN CCCCCCCCS(=O)(=O)CCSc1cccc2cccnc21 ZINC000059211795 520046171 /nfs/dbraw/zinc/04/61/71/520046171.db2.gz OKWYJHRZDONQAY-UHFFFAOYSA-N 0 0 365.564 5.102 50 30 FKEARN CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC ZINC000059301183 212014882 /nfs/dbraw/zinc/01/48/82/212014882.db2.gz NEHDRDVHPTWWFG-UHFFFAOYSA-N 0 0 370.574 6.354 50 30 endogenous,in-man FKEARN CCCCCCCCCCCCCCCCC[C@@H]1N=CCN1CCO ZINC000059338026 519999132 /nfs/dbraw/zinc/99/91/32/519999132.db2.gz HZPWFZGYVSBDNJ-JOCHJYFZSA-N 0 0 352.607 5.953 50 30 FKEARN CCCCCCCCCCCCCCCCC[C@H]1N=CCN1CCO ZINC000059338028 519999793 /nfs/dbraw/zinc/99/97/93/519999793.db2.gz HZPWFZGYVSBDNJ-QFIPXVFZSA-N 0 0 352.607 5.953 50 30 FKEARN CCOc1ccc(C(C)N=Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000059399008 520842956 /nfs/dbraw/zinc/84/29/56/520842956.db2.gz XPJWEGNTIOKIAZ-XKZIYDEJSA-N 0 0 371.893 5.698 50 30 FKEARN O=[N+]([O-])c1ccccc1/C=N/c1ccccc1/N=C/c1ccccc1[N+](=O)[O-] ZINC000059457049 527397831 /nfs/dbraw/zinc/39/78/31/527397831.db2.gz KBLPOVULSNVCNL-JFMUQQRKSA-N 0 0 374.356 5.004 50 30 FKEARN O=[N+]([O-])c1cccc(/C=N/c2ccccc2/N=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000059458849 221127009 /nfs/dbraw/zinc/12/70/09/221127009.db2.gz GKJJLRHVPQXBTI-JFMUQQRKSA-N 0 0 374.356 5.004 50 30 FKEARN CCCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1cccs1)C2 ZINC000059522317 205281395 /nfs/dbraw/zinc/28/13/95/205281395.db2.gz KUYXULCVBXDVHA-HNNXBMFYSA-N 0 0 373.518 5.425 50 30 FKEARN CCCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1cccs1)C2 ZINC000059522318 221126894 /nfs/dbraw/zinc/12/68/94/221126894.db2.gz KUYXULCVBXDVHA-OAHLLOKOSA-N 0 0 373.518 5.425 50 30 FKEARN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1F ZINC000059627019 221127014 /nfs/dbraw/zinc/12/70/14/221127014.db2.gz QGBCLZKFOBOWMX-UHFFFAOYSA-N 0 0 369.211 5.255 50 30 FKEARN CCCCCCCOc1ccc(C(=O)Nc2ccc3nsnc3c2)cc1 ZINC000059691099 205281277 /nfs/dbraw/zinc/28/12/77/205281277.db2.gz CJSWGNJBSLVGHX-UHFFFAOYSA-N 0 0 369.490 5.293 50 30 FKEARN CCCCCCCCCCCCCCCCCCCCCCCCO ZINC000059724995 221126722 /nfs/dbraw/zinc/12/67/22/221126722.db2.gz TYWMIZZBOVGFOV-UHFFFAOYSA-N 0 0 354.663 8.581 50 30 in-vitro FKEARN CCCCCCCCCCCCCCCCCCCCCCOC(C)=O ZINC000059725401 571195353 /nfs/dbraw/zinc/19/53/53/571195353.db2.gz AWYRDXDPCQRJHE-UHFFFAOYSA-N 0 0 368.646 8.371 50 30 FKEARN Cc1ccc(C)n1-c1ccc(C(=O)Nc2cccc(OCCCC#N)c2)cc1 ZINC000059770238 524219886 /nfs/dbraw/zinc/21/98/86/524219886.db2.gz REQDBGIWNDYVLF-UHFFFAOYSA-N 0 0 373.456 5.029 50 30 FKEARN CCCCCCCCc1cnc(-c2ccc(OCCCCCC)cc2)nc1 ZINC000059845073 208591929 /nfs/dbraw/zinc/59/19/29/208591929.db2.gz ATZLPEPWPJQANQ-UHFFFAOYSA-N 0 0 368.565 7.006 50 30 FKEARN CCCCCCCCCCCC[C@@H](CO)CCCCCCCCCC ZINC000060037173 205284111 /nfs/dbraw/zinc/28/41/11/205284111.db2.gz CAYHVMBQBLYQMT-DEOSSOPVSA-N 0 0 354.663 8.437 50 30 FKEARN CCCCC[C@H]1O[C@H]1C[C@H]1O[C@H]1CCCCCCCCCC(=O)OC ZINC000060272711 212020969 /nfs/dbraw/zinc/02/09/69/212020969.db2.gz RYSWSVUNOVFICZ-FUMNGEBKSA-N 0 0 354.531 5.176 50 30 FKEARN CCCCC[C@H]1O[C@H]1C[C@@H]1O[C@H]1CCCCCCCCCC(=O)OC ZINC000060272712 212020256 /nfs/dbraw/zinc/02/02/56/212020256.db2.gz RYSWSVUNOVFICZ-FYQPLNBISA-N 0 0 354.531 5.176 50 30 FKEARN N#Cc1c(NC(=O)c2ccc(-c3ccccc3Cl)o2)sc2c1CCC2 ZINC000060526418 212021344 /nfs/dbraw/zinc/02/13/44/212021344.db2.gz SPUXPCYQYSMACR-UHFFFAOYSA-N 0 0 368.845 5.274 50 30 FKEARN CCCN1C(=O)/C(=C/c2ccc(C)o2)S/C1=N/c1ccc(OCC)cc1 ZINC000061971817 571137671 /nfs/dbraw/zinc/13/76/71/571137671.db2.gz JQGAHXVEWUKPLB-RORWIDQYSA-N 0 0 370.474 5.001 50 30 FKEARN C#CCN(Cc1ccccc1Cl)C(=O)Nc1c(CC)cccc1CC ZINC000062374388 221140811 /nfs/dbraw/zinc/14/08/11/221140811.db2.gz QHCLIDOIFZZPHR-UHFFFAOYSA-N 0 0 354.881 5.132 50 30 FKEARN N#Cc1ccccc1NC(=S)N1CC=C(c2cccc3ccccc32)CC1 ZINC000063565689 205293682 /nfs/dbraw/zinc/29/36/82/205293682.db2.gz QOIBXJCPSZFINZ-UHFFFAOYSA-N 0 0 369.493 5.198 50 30 FKEARN CCc1ccc2ncc(C#N)c(N3CCC(Cc4ccccc4)CC3)c2c1 ZINC000064580654 535831582 /nfs/dbraw/zinc/83/15/82/535831582.db2.gz RNRVSYUYTSCJLF-UHFFFAOYSA-N 0 0 355.485 5.128 50 30 FKEARN Cc1ccc2c(c1)sc1nc(-c3ccc(C#N)cc3)c(NC(C)(C)C)n21 ZINC000064668446 212041560 /nfs/dbraw/zinc/04/15/60/212041560.db2.gz RZSVNNFGPWFCDE-UHFFFAOYSA-N 0 0 360.486 5.607 50 30 FKEARN N#Cc1ccc(-c2nc(-c3cccc(-c4csc(C5CC5)n4)c3)no2)cc1 ZINC000064677048 571238966 /nfs/dbraw/zinc/23/89/66/571238966.db2.gz JZNQNNXEKCLGNK-UHFFFAOYSA-N 0 0 370.437 5.276 50 30 FKEARN N#Cc1cccc(NC(=O)c2scc(-c3ccccc3)c2-n2cccc2)c1 ZINC000064775121 571242609 /nfs/dbraw/zinc/24/26/09/571242609.db2.gz UXUOUDUGFHMMAQ-UHFFFAOYSA-N 0 0 369.449 5.330 50 30 FKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@H]1CCOC1=O ZINC000064857814 519992362 /nfs/dbraw/zinc/99/23/62/519992362.db2.gz HGMDJDYXARRSKB-FQEVSTJZSA-N 0 0 367.574 5.680 50 30 in-vitro FKEARN CCCCCC/C=C\CCCCCCCCCCCCCCCCC ZINC000064858523 212046592 /nfs/dbraw/zinc/04/65/92/212046592.db2.gz RORWYUWDGGVNRJ-SQFISAMPSA-N 0 0 350.675 9.775 50 30 in-vitro FKEARN CCCCCCCCCCCCCCCCCCCC(=O)NCCO ZINC000064858699 571141286 /nfs/dbraw/zinc/14/12/86/571141286.db2.gz AUJVQJHODMISJP-UHFFFAOYSA-N 0 0 355.607 6.137 50 30 in-vitro FKEARN CCCCCCCCCCCCCCCCOC[C@@H](CO)SC(C)=O ZINC000064859108 205307597 /nfs/dbraw/zinc/30/75/97/205307597.db2.gz SJNRNWWBXZOALQ-OAQYLSRUSA-N 0 0 374.631 6.125 50 30 in-vitro FKEARN CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H]1CCOC1=O ZINC000064859429 519967939 /nfs/dbraw/zinc/96/79/39/519967939.db2.gz PYEKBLYUYSJMKS-QJRAZLAKSA-N 0 0 365.558 5.456 50 30 in-vitro FKEARN COc1ccc(Oc2ccc(-c3noc(-c4ccc(C#N)cc4)n3)cc2)cc1 ZINC000065005236 571320910 /nfs/dbraw/zinc/32/09/10/571320910.db2.gz XXHIMZNNGFRSIS-UHFFFAOYSA-N 0 0 369.380 5.076 50 30 FKEARN N#Cc1ccc(-c2nc(-c3ccc(-c4csc(C5CC5)n4)cc3)no2)cc1 ZINC000065032390 221165338 /nfs/dbraw/zinc/16/53/38/221165338.db2.gz PUSRJPNVSGQDIV-UHFFFAOYSA-N 0 0 370.437 5.276 50 30 FKEARN N#Cc1ccc(-c2nc(-c3ccc4oc(-c5ccccc5)nc4c3)no2)cc1 ZINC000065149818 221172573 /nfs/dbraw/zinc/17/25/73/221172573.db2.gz BMRSFQZHCFLOMN-UHFFFAOYSA-N 0 0 364.364 5.083 50 30 FKEARN N#Cc1cccc(-c2nc(-c3ccc4oc(-c5ccccc5)nc4c3)no2)c1 ZINC000065149828 205320341 /nfs/dbraw/zinc/32/03/41/205320341.db2.gz MIGUDYYEIORVNZ-UHFFFAOYSA-N 0 0 364.364 5.083 50 30 FKEARN C=CCOc1ccccc1-c1c(-c2ccccc2)ncn1Cc1ccccn1 ZINC000065370422 210100460 /nfs/dbraw/zinc/10/04/60/210100460.db2.gz URSAVHNCFNYMCL-UHFFFAOYSA-N 0 0 367.452 5.225 50 30 FKEARN N#CCCSc1ccc(Cl)cc1NC(=O)Cc1c[nH]c2ccccc12 ZINC000065453160 571263470 /nfs/dbraw/zinc/26/34/70/571263470.db2.gz OEZAEEDBNVVCGY-UHFFFAOYSA-N 0 0 369.877 5.008 50 30 FKEARN COCC1(n2cnc(-c3ccccc3)c2-c2cccc(C#N)c2)CCCC1 ZINC000065468714 221223492 /nfs/dbraw/zinc/22/34/92/221223492.db2.gz WBHLOKOOGQQDRY-UHFFFAOYSA-N 0 0 357.457 5.004 50 30 FKEARN Cc1ccccc1[C@H]1CCCN1C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000065473628 571263724 /nfs/dbraw/zinc/26/37/24/571263724.db2.gz DIWQXHCHRMWUKI-HXUWFJFHSA-N 0 0 363.461 5.023 50 30 FKEARN Cc1cccnc1CCn1cnc(-c2ccccc2)c1-c1cccc(C#N)c1 ZINC000065508532 205356502 /nfs/dbraw/zinc/35/65/02/205356502.db2.gz LXIYTCCRVIEYTF-UHFFFAOYSA-N 0 0 364.452 5.035 50 30 FKEARN CCOc1ccc2nc(Cl)c(/C=C/C(=O)c3ccc(F)cc3)cc2c1 ZINC000065532263 208688896 /nfs/dbraw/zinc/68/88/96/208688896.db2.gz DOZKCALWKODJEQ-BJMVGYQFSA-N 0 0 355.796 5.322 50 30 FKEARN O=[N+]([O-])c1ccc(F)c(C=NNc2c(Cl)cc(Cl)cc2Cl)c1 ZINC000066088694 221240057 /nfs/dbraw/zinc/24/00/57/221240057.db2.gz XVGBOJDTRWKUCG-NGYBGAFCSA-N 0 0 362.575 5.140 50 30 FKEARN Fc1ccc(F)c(C=NNc2c(Cl)cc(C(F)(F)F)cc2Cl)c1 ZINC000066088703 205364101 /nfs/dbraw/zinc/36/41/01/205364101.db2.gz VOFMBXJGUVGSMI-GEVRCRHISA-N 0 0 369.120 5.736 50 30 FKEARN CN(C(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl)C1(C#N)CCC1 ZINC000066322133 571358138 /nfs/dbraw/zinc/35/81/38/571358138.db2.gz XGURQMOTEWAHGU-UHFFFAOYSA-N 0 0 372.799 5.092 50 30 FKEARN Clc1ccc(/C=N/c2c(-c3ccccc3)cnn2-c2ccccc2)cc1 ZINC000067317278 221251890 /nfs/dbraw/zinc/25/18/90/221251890.db2.gz WJUWFPPEVSORAV-BUVRLJJBSA-N 0 0 357.844 5.943 50 30 FKEARN CCOc1ccc(-c2nc(N=NCc3ccc(C)cc3)sc2Cl)cc1 ZINC000067321213 520820567 /nfs/dbraw/zinc/82/05/67/520820567.db2.gz DTBHGFYHFCJDMM-CIAFOILYSA-N 0 0 371.893 5.617 50 30 FKEARN Cc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)c(Cl)s2)cc1 ZINC000067321216 221251532 /nfs/dbraw/zinc/25/15/32/221251532.db2.gz UTXWQSPOBJFCNJ-KEBDBYFISA-N 0 0 362.285 5.871 50 30 FKEARN COc1ccc(-c2nc(N=NCc3ccc(C)cc3)sc2Cl)cc1 ZINC000067321300 523219964 /nfs/dbraw/zinc/21/99/64/523219964.db2.gz IRFNWCLTCOODAL-RGVLZGJSSA-N 0 0 357.866 5.227 50 30 FKEARN CCCCCCCCOc1ccc(NC(=O)c2ccc(CC)cc2)cc1 ZINC000068568956 520042987 /nfs/dbraw/zinc/04/29/87/520042987.db2.gz PGWRDFSMXITGIY-UHFFFAOYSA-N 0 0 353.506 6.241 50 30 FKEARN CCCCCCCCOc1ccc(NC(=O)c2ccc(OC)cc2)cc1 ZINC000068568958 520042831 /nfs/dbraw/zinc/04/28/31/520042831.db2.gz DQLOCJPJWKCPOE-UHFFFAOYSA-N 0 0 355.478 5.687 50 30 FKEARN CCCCCCCCc1ccc(NC(=O)Oc2ccc(OC)cc2)cc1 ZINC000068568960 221316248 /nfs/dbraw/zinc/31/62/48/221316248.db2.gz DPWKWVGUCGKGSR-UHFFFAOYSA-N 0 0 355.478 6.209 50 30 FKEARN CCCCCCCCCCc1ccc(NC(=O)c2ccc(C)cc2)cc1 ZINC000068568964 571153315 /nfs/dbraw/zinc/15/33/15/571153315.db2.gz VIRZVJMPHHZISV-UHFFFAOYSA-N 0 0 351.534 6.931 50 30 FKEARN CCCCCCCCC(=O)c1ccc(N=Nc2ccc(OCC)cc2)cc1 ZINC000068568968 519975792 /nfs/dbraw/zinc/97/57/92/519975792.db2.gz PAVVFNRQFFBTPE-OCOZRVBESA-N 0 0 366.505 7.434 50 30 FKEARN CCCCCCCC(=O)Oc1ccc(/N=N/c2ccc(OCC)cc2)cc1 ZINC000068568970 519965945 /nfs/dbraw/zinc/96/59/45/519965945.db2.gz ZRCVVIXIMQETJI-WCWDXBQESA-N 0 0 368.477 6.767 50 30 FKEARN CCCCCCCCOc1ccc(/N=N/c2ccc(CCCC)cc2)cc1 ZINC000068568972 520043922 /nfs/dbraw/zinc/04/39/22/520043922.db2.gz XWZGDVXCRYTAFL-OCEACIFDSA-N 0 0 366.549 8.184 50 30 FKEARN CCCCCCCCc1ccc(/N=N/c2ccc(OCCCC)cc2)cc1 ZINC000068568994 571153369 /nfs/dbraw/zinc/15/33/69/571153369.db2.gz CTFMNFZNAWBAKO-OCEACIFDSA-N 0 0 366.549 8.184 50 30 FKEARN CCCCCCCCc1ccc(/N=N/c2ccc(OC(=O)CC)cc2)cc1 ZINC000068569001 571153312 /nfs/dbraw/zinc/15/33/12/571153312.db2.gz MUIVXJSRXVPYRT-OCOZRVBESA-N 0 0 366.505 7.320 50 30 FKEARN CCCCCCCc1ccc(/N=C/c2ccc(OCCCCC)cc2)cc1 ZINC000068569015 571153345 /nfs/dbraw/zinc/15/33/45/571153345.db2.gz QBYDDGRNEMVCJE-YYADALCUSA-N 0 0 365.561 7.519 50 30 FKEARN CCCCCCCCCOc1ccc(/C=N/c2ccc(CCC)cc2)cc1 ZINC000068569031 520029734 /nfs/dbraw/zinc/02/97/34/520029734.db2.gz QTEWLKIMDWMWGM-YYADALCUSA-N 0 0 365.561 7.519 50 30 FKEARN CCCCCCCCCCOc1ccc(/C=N/c2ccc(CC)cc2)cc1 ZINC000068569033 520021243 /nfs/dbraw/zinc/02/12/43/520021243.db2.gz ZCBZCMLOLCLUND-YYADALCUSA-N 0 0 365.561 7.519 50 30 FKEARN CCCCCCCCCCNC(=O)C(CC)(C(F)(F)F)C(F)(F)F ZINC000068575185 571065153 /nfs/dbraw/zinc/06/51/53/571065153.db2.gz PEZPTOXCRDAIOZ-UHFFFAOYSA-N 0 0 363.386 5.764 50 30 FKEARN C/C(=N\c1cccc(/N=C(\C)c2ccccc2O)c1C)c1ccccc1O ZINC000068603049 221316768 /nfs/dbraw/zinc/31/67/68/221316768.db2.gz KUCNIHHVFRWMLN-MUPYBJATSA-N 0 0 358.441 5.688 50 30 FKEARN CCCCCCCCOc1ccc(NC(=O)Oc2ccc(OC)cc2)cc1 ZINC000068603083 520043140 /nfs/dbraw/zinc/04/31/40/520043140.db2.gz VARFBOXYBMYYSV-UHFFFAOYSA-N 0 0 371.477 6.045 50 30 FKEARN Oc1ccccc1/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000068603174 571153355 /nfs/dbraw/zinc/15/33/55/571153355.db2.gz OVTAAKYSEOYIDE-ZVHZXABRSA-N 0 0 373.843 5.649 50 30 FKEARN Oc1ccc(Cl)cc1/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000068603182 571153364 /nfs/dbraw/zinc/15/33/64/571153364.db2.gz PXGZMVADVLUWOY-ZVHZXABRSA-N 0 0 373.843 5.649 50 30 FKEARN c1c2ccccc2oc1C(=NOCc1ccccc1)c1cc2ccccc2o1 ZINC000068603821 526403006 /nfs/dbraw/zinc/40/30/06/526403006.db2.gz DQYLUPOJMXSGPR-UHFFFAOYSA-N 0 0 367.404 6.148 50 30 FKEARN COc1ccc2cc([C@H](C)C(=O)Nc3ccc(C#N)cc3Cl)ccc2c1 ZINC000068755656 205411167 /nfs/dbraw/zinc/41/11/67/205411167.db2.gz DICJBPSIPAEVBS-ZDUSSCGKSA-N 0 0 364.832 5.116 50 30 FKEARN COc1ccc2cc([C@@H](C)C(=O)Nc3ccc(C#N)cc3Cl)ccc2c1 ZINC000068755661 221317992 /nfs/dbraw/zinc/31/79/92/221317992.db2.gz DICJBPSIPAEVBS-CYBMUJFWSA-N 0 0 364.832 5.116 50 30 FKEARN Cc1ccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cccs2)o1 ZINC000069532408 526014387 /nfs/dbraw/zinc/01/43/87/526014387.db2.gz WYTMQIMXDFKSIY-ZHACJKMWSA-N 0 0 360.438 5.398 50 30 FKEARN COc1ccc([C@@H](Nc2snc(Cl)c2C#N)c2ccc(C)cc2)cc1 ZINC000070040507 571108232 /nfs/dbraw/zinc/10/82/32/571108232.db2.gz KSHGXENLYKTJKO-KRWDZBQOSA-N 0 0 369.877 5.187 50 30 FKEARN COc1ccc([C@H](Nc2snc(Cl)c2C#N)c2ccc(C)cc2)cc1 ZINC000070040508 221331724 /nfs/dbraw/zinc/33/17/24/221331724.db2.gz KSHGXENLYKTJKO-QGZVFWFLSA-N 0 0 369.877 5.187 50 30 FKEARN Cc1ccc(Oc2cc(CNc3snc(Cl)c3C#N)ccn2)cc1C ZINC000070040632 221332022 /nfs/dbraw/zinc/33/20/22/221332022.db2.gz WDLBWRLSLSGGMV-UHFFFAOYSA-N 0 0 370.865 5.084 50 30 FKEARN CCCCCCCCCCCCCCCCCCCCCCC(=O)OC ZINC000070455480 560047164 /nfs/dbraw/zinc/04/71/64/560047164.db2.gz VORKGRIRMPBCCZ-UHFFFAOYSA-N 0 0 368.646 8.371 50 30 biogenic,in-vitro FKEARN CCCCCCCCCCCCCCCCCCCCCC(=O)OC ZINC000070455483 205420439 /nfs/dbraw/zinc/42/04/39/205420439.db2.gz QSQLTHHMFHEFIY-UHFFFAOYSA-N 0 0 354.619 7.981 50 30 biogenic,in-vitro FKEARN CCCCCCCCCCCC(=O)NCCc1c[nH]c2ccc(OC)cc12 ZINC000070665051 519980904 /nfs/dbraw/zinc/98/09/04/519980904.db2.gz VPNGRVQPGRYYGP-UHFFFAOYSA-N 0 0 372.553 5.756 50 30 FKEARN CCCCCCCCCCCC1=NCC[C@H]2c3cc(OC)ccc3N[C@H]12 ZINC000070665153 519985500 /nfs/dbraw/zinc/98/55/00/519985500.db2.gz CYZKFNCUYBQMOB-CVDCTZTESA-N 0 0 356.554 6.339 50 30 FKEARN CCCCCCCCCCCC1=NCC[C@@H]2c3cc(OC)ccc3N[C@H]12 ZINC000070665155 519986708 /nfs/dbraw/zinc/98/67/08/519986708.db2.gz CYZKFNCUYBQMOB-XXBNENTESA-N 0 0 356.554 6.339 50 30 FKEARN CCCCCCCCCCCC1=NCC[C@H]2c3cc(OC)ccc3N[C@@H]12 ZINC000070665157 519986688 /nfs/dbraw/zinc/98/66/88/519986688.db2.gz CYZKFNCUYBQMOB-WMZHIEFXSA-N 0 0 356.554 6.339 50 30 FKEARN CCCCCCCCCCCC1=NCC[C@@H]2c3cc(OC)ccc3N[C@@H]12 ZINC000070665159 519986030 /nfs/dbraw/zinc/98/60/30/519986030.db2.gz CYZKFNCUYBQMOB-AUSIDOKSSA-N 0 0 356.554 6.339 50 30 FKEARN CCCCCCCCCCCCN1C(=O)[C@H]2Cc3ccccc3CN2C1=O ZINC000070673756 520006849 /nfs/dbraw/zinc/00/68/49/520006849.db2.gz AZHTWBZMAZSEKV-OAQYLSRUSA-N 0 0 370.537 5.296 50 30 FKEARN C=C[C@]1(C)C[C@H]([C@]2(C)C3=C(CCC34SCCS4)CC[C@H]2C)OC1=O ZINC000071786186 571133612 /nfs/dbraw/zinc/13/36/12/571133612.db2.gz HIXVLAPRLADCMJ-SVYNMNNPSA-N 0 0 364.576 5.197 50 30 FKEARN C=C[C@]1(C)C[C@H]([C@]2(C)C3=C(CCC34SCCS4)CC[C@@H]2C)OC1=O ZINC000071786187 571133645 /nfs/dbraw/zinc/13/36/45/571133645.db2.gz HIXVLAPRLADCMJ-LLBUTXAOSA-N 0 0 364.576 5.197 50 30 FKEARN C=C[C@]1(C)C[C@H]([C@@]2(C)C3=C(CCC34SCCS4)CC[C@H]2C)OC1=O ZINC000071786188 571133603 /nfs/dbraw/zinc/13/36/03/571133603.db2.gz HIXVLAPRLADCMJ-LRHNDGHRSA-N 0 0 364.576 5.197 50 30 FKEARN C=C[C@]1(C)C[C@H]([C@@]2(C)C3=C(CCC34SCCS4)CC[C@@H]2C)OC1=O ZINC000071786189 571133600 /nfs/dbraw/zinc/13/36/00/571133600.db2.gz HIXVLAPRLADCMJ-LZBRWLDZSA-N 0 0 364.576 5.197 50 30 FKEARN C=C[C@H]1[C@H](C(C)C)CC[C@]1(C)C[C@H]1CC(=O)[C@]2(C)CC[C@H]3[C@H](C)CC[C@]132 ZINC000071786207 571133663 /nfs/dbraw/zinc/13/36/63/571133663.db2.gz WJZBFDUFCBPPMR-BWHYSAMPSA-N 0 0 356.594 6.673 50 30 FKEARN C=C[C@H]1[C@H](C(C)C)CC[C@]1(C)C[C@@H]1CC(=O)[C@]2(C)CC[C@H]3[C@H](C)CC[C@]132 ZINC000071786208 571133602 /nfs/dbraw/zinc/13/36/02/571133602.db2.gz WJZBFDUFCBPPMR-IFOOMFBWSA-N 0 0 356.594 6.673 50 30 FKEARN C=C[C@@H]1[C@H](C(C)C)CC[C@]1(C)C[C@H]1CC(=O)[C@]2(C)CC[C@H]3[C@H](C)CC[C@]132 ZINC000071786209 571133605 /nfs/dbraw/zinc/13/36/05/571133605.db2.gz WJZBFDUFCBPPMR-NGBWJPMMSA-N 0 0 356.594 6.673 50 30 FKEARN C=C[C@@H]1[C@H](C(C)C)CC[C@]1(C)C[C@@H]1CC(=O)[C@]2(C)CC[C@H]3[C@H](C)CC[C@]132 ZINC000071786210 571133625 /nfs/dbraw/zinc/13/36/25/571133625.db2.gz WJZBFDUFCBPPMR-JMIZDMJRSA-N 0 0 356.594 6.673 50 30 FKEARN C=C(C)CC[C@@H]1[C@@H](C)CC[C@@H]2CC(=O)C(Sc3ccccc3)=C[C@]21C ZINC000071786277 571133640 /nfs/dbraw/zinc/13/36/40/571133640.db2.gz PWMWHGBUHXPVJX-XNSSQMBPSA-N 0 0 354.559 6.660 50 30 FKEARN C=CCCCC[C@](C)(c1ccccc1)[C@@](C)(CCCCC=C)c1ccccc1 ZINC000071786473 571133875 /nfs/dbraw/zinc/13/38/75/571133875.db2.gz HHNNROSFNCDMKY-HNRBIFIRSA-N 0 0 374.612 8.395 50 30 FKEARN C=CCCCC[C@@](C)(c1ccccc1)[C@@](C)(CCCCC=C)c1ccccc1 ZINC000071786474 571133923 /nfs/dbraw/zinc/13/39/23/571133923.db2.gz HHNNROSFNCDMKY-NSOVKSMOSA-N 0 0 374.612 8.395 50 30 FKEARN C=CCCCC[C@](C)(c1ccccc1)[C@](C)(CCCCC=C)c1ccccc1 ZINC000071786475 571133902 /nfs/dbraw/zinc/13/39/02/571133902.db2.gz HHNNROSFNCDMKY-VSGBNLITSA-N 0 0 374.612 8.395 50 30 FKEARN C=CCCCCCCCC[C@@](C)(O)[C@](C)(O)CCCCCCCCC=C ZINC000071786769 571133917 /nfs/dbraw/zinc/13/39/17/571133917.db2.gz HEVRETGKDNZZFP-DNQXCXABSA-N 0 0 366.630 7.102 50 30 FKEARN C=CCCCCCCCC[C@@](C)(O)[C@@](C)(O)CCCCCCCCC=C ZINC000071786770 571133918 /nfs/dbraw/zinc/13/39/18/571133918.db2.gz HEVRETGKDNZZFP-PSWAGMNNSA-N 0 0 366.630 7.102 50 30 FKEARN C=CCCCCCCCC[C@](C)(O)[C@@](C)(O)CCCCCCCCC=C ZINC000071786771 571133949 /nfs/dbraw/zinc/13/39/49/571133949.db2.gz HEVRETGKDNZZFP-ZEQRLZLVSA-N 0 0 366.630 7.102 50 30 FKEARN CCCCCCCCCCCCCCCCCCOC[C@H](CO)OC ZINC000071788541 571125592 /nfs/dbraw/zinc/12/55/92/571125592.db2.gz JWBOVDKFGDXGCR-QFIPXVFZSA-N 0 0 358.607 6.272 50 30 in-vitro FKEARN N#Cc1ccc(-c2ccc(OC(=O)c3ccc(-c4cnco4)cc3)cc2)cc1 ZINC000071940527 570874573 /nfs/dbraw/zinc/87/45/73/570874573.db2.gz GORVJNZIINAGCZ-UHFFFAOYSA-N 0 0 366.376 5.099 50 30 FKEARN CCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O ZINC000072400507 571191055 /nfs/dbraw/zinc/19/10/55/571191055.db2.gz OTNHQVHEZCBZQU-UHFFFAOYSA-N 0 0 353.503 5.075 50 30 in-vitro FKEARN O=C1NC(=Nc2cccc(Cl)c2)C(=Cc2cccc3nccnc23)S1 ZINC000072400756 571134864 /nfs/dbraw/zinc/13/48/64/571134864.db2.gz VHQNZNANNSYGHO-DHDCSXOGSA-N 0 0 366.833 5.015 50 30 FKEARN Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN1CCC(C#N)CC1 ZINC000072412323 571192378 /nfs/dbraw/zinc/19/23/78/571192378.db2.gz SWPMMBYCXDSRAD-UHFFFAOYSA-N 0 0 373.456 5.178 50 30 FKEARN C/C(=N\O)c1c(C)oc2ccc(OCc3c(Cl)cccc3Cl)cc21 ZINC000072434043 571196321 /nfs/dbraw/zinc/19/63/21/571196321.db2.gz BWZLAUOBDIMQCC-UFFVCSGVSA-N 0 0 364.228 5.825 50 30 FKEARN CCCCCCCCCCCCCCCCNc1cccc2ccccc21 ZINC000073310884 520002174 /nfs/dbraw/zinc/00/21/74/520002174.db2.gz GFXJOXPGAICPDQ-UHFFFAOYSA-N 0 0 367.621 8.733 50 30 FKEARN Cc1ccc2c(c1)nc1c(C#N)c(C)cc(Nc3ccc4ccccc4c3)n21 ZINC000075253109 571158644 /nfs/dbraw/zinc/15/86/44/571158644.db2.gz KGVSGHPKOQAKHN-UHFFFAOYSA-N 0 0 362.436 5.873 50 30 FKEARN C=CCn1c(SCCCC)nc2oc3c(c2c1=S)CC(C)(C)OC3 ZINC000075260054 571158569 /nfs/dbraw/zinc/15/85/69/571158569.db2.gz OTWIYBZZMTUWLF-UHFFFAOYSA-N 0 0 364.536 5.288 50 30 FKEARN Cc1ccc(NC(=Nc2ccccc2)Nc2nc3ccccc3s2)cc1 ZINC000075270232 571158911 /nfs/dbraw/zinc/15/89/11/571158911.db2.gz RYYMRUSPZAOOHI-UHFFFAOYSA-N 0 0 358.470 5.816 50 30 FKEARN Cc1sccc1C1=C(c2ccsc2C)C(=O)c2ccccc2C1=O ZINC000075272147 571159106 /nfs/dbraw/zinc/15/91/06/571159106.db2.gz ICTOJPCMUFHNOC-UHFFFAOYSA-N 0 0 350.464 5.416 50 30 FKEARN O=C1c2ccccc2[C@@H](c2ccccc2)/C1=C/c1ccc(C(F)(F)F)cc1 ZINC000075273835 571158950 /nfs/dbraw/zinc/15/89/50/571158950.db2.gz YKRYTDDIATYONI-OKPNHQCWSA-N 0 0 364.366 6.117 50 30 FKEARN O=C1c2ccccc2[C@H](c2ccccc2)/C1=C/c1ccc(C(F)(F)F)cc1 ZINC000075273837 571158804 /nfs/dbraw/zinc/15/88/04/571158804.db2.gz YKRYTDDIATYONI-URBQWANRSA-N 0 0 364.366 6.117 50 30 FKEARN Cc1ccc(/C=C2/CC/C(=C/c3ccc(-c4ccccc4)cc3)C2=O)cc1 ZINC000075274100 571158877 /nfs/dbraw/zinc/15/88/77/571158877.db2.gz HAZJHRPRBJKESZ-FXKBRRNPSA-N 0 0 350.461 6.492 50 30 FKEARN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2C1=CCC(=O)CC1 ZINC000075278885 571159487 /nfs/dbraw/zinc/15/94/87/571159487.db2.gz KEGAFOZSLLVSIT-UHFFFAOYSA-N 0 0 368.473 5.081 50 30 FKEARN CC(C)(C)C1=CC2(Nc3cccc4cccc(c43)N2)c2ccccc2C1=O ZINC000075286632 571159894 /nfs/dbraw/zinc/15/98/94/571159894.db2.gz VXXCJBHFAIUZTB-UHFFFAOYSA-N 0 0 354.453 5.699 50 30 FKEARN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC=C(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000077286645 571140154 /nfs/dbraw/zinc/14/01/54/571140154.db2.gz MZWRIOUCMXPLKV-AILAQNEMSA-N 0 0 356.506 5.006 50 30 FKEARN N#CCCCCSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 ZINC000078239462 526444320 /nfs/dbraw/zinc/44/43/20/526444320.db2.gz PVCUQTBNTZTBAC-UHFFFAOYSA-N 0 0 368.893 5.374 50 30 FKEARN CCCCCCCCCCCCCCCCCCOCc1ccccn1 ZINC000078368808 519996307 /nfs/dbraw/zinc/99/63/07/519996307.db2.gz CIMKFNVBRHPSRA-UHFFFAOYSA-N 0 0 361.614 7.860 50 30 FKEARN C=CCn1c(S[C@@H](C)c2ccc(C(F)(F)F)cc2)nnc1C1CC1 ZINC000078480802 519254193 /nfs/dbraw/zinc/25/41/93/519254193.db2.gz LIHDWTQKKNBIOG-NSHDSACASA-N 0 0 353.413 5.214 50 30 FKEARN C=CCn1c(S[C@H](C)c2ccc(C(F)(F)F)cc2)nnc1C1CC1 ZINC000078480803 519258578 /nfs/dbraw/zinc/25/85/78/519258578.db2.gz LIHDWTQKKNBIOG-LLVKDONJSA-N 0 0 353.413 5.214 50 30 FKEARN N#CCCSc1ccccc1NC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000078668728 526463205 /nfs/dbraw/zinc/46/32/05/526463205.db2.gz NLEIGVWFUFUCPP-UHFFFAOYSA-N 0 0 372.493 5.541 50 30 FKEARN COc1ccc(NC(=O)[C@H](Sc2cccc(C#N)c2)c2ccccc2)cc1 ZINC000079051058 524610355 /nfs/dbraw/zinc/61/03/55/524610355.db2.gz DPPDPBAPNIEHNL-OAQYLSRUSA-N 0 0 374.465 5.039 50 30 FKEARN COc1ccc(NC(=O)[C@@H](Sc2cccc(C#N)c2)c2ccccc2)cc1 ZINC000079051070 524588012 /nfs/dbraw/zinc/58/80/12/524588012.db2.gz DPPDPBAPNIEHNL-NRFANRHFSA-N 0 0 374.465 5.039 50 30 FKEARN N#Cc1cc(Cl)ccc1SCc1cccc(C(=O)N2CCCCC2)c1 ZINC000079058153 571326721 /nfs/dbraw/zinc/32/67/21/571326721.db2.gz ZATBGBJMVZRTQJ-UHFFFAOYSA-N 0 0 370.905 5.130 50 30 FKEARN Cc1ccc(C2=NN(C3=CC(=O)CC(C)(C)C3)[C@H](c3ccccc3O)C2)cc1 ZINC000080325289 570635001 /nfs/dbraw/zinc/63/50/01/570635001.db2.gz KWJDSQMXMFBSAF-QFIPXVFZSA-N 0 0 374.484 5.125 50 30 FKEARN Cc1ccc(C2=NN(C3=CC(=O)CC(C)(C)C3)[C@@H](c3ccccc3O)C2)cc1 ZINC000080325293 570635010 /nfs/dbraw/zinc/63/50/10/570635010.db2.gz KWJDSQMXMFBSAF-JOCHJYFZSA-N 0 0 374.484 5.125 50 30 FKEARN O=C(Nc1cccc(/N=C/c2ccccc2O)c1)c1cc2ccccc2o1 ZINC000080340248 571329030 /nfs/dbraw/zinc/32/90/30/571329030.db2.gz GARSYJFAUZTXOL-OEAKJJBVSA-N 0 0 356.381 5.141 50 30 FKEARN CCOc1cccc(/C=N/c2ccc3nc(-c4ccc(C)cc4)oc3c2)c1O ZINC000080340399 208944694 /nfs/dbraw/zinc/94/46/94/208944694.db2.gz YNHAHPRNDXXLFF-ZVHZXABRSA-N 0 0 372.424 5.658 50 30 FKEARN CCCCCCCCCCC[C@@H]1C[C@H](O)[C@H](CCCCCC)C(=O)O1 ZINC000080483530 520017370 /nfs/dbraw/zinc/01/73/70/520017370.db2.gz LRXRIVSWHMVULO-HKBOAZHASA-N 0 0 354.575 6.170 50 30 FKEARN CCc1cccc(C)c1NC(=O)CN(C)Cc1ccc(C(F)(F)F)cc1 ZINC000082048839 524062248 /nfs/dbraw/zinc/06/22/48/524062248.db2.gz DAUVWVZSGSCPBS-UHFFFAOYSA-N 0 0 364.411 5.296 50 30 FKEARN COc1cccc(NC(=O)CN(C)C(c2ccccc2)c2ccccc2)c1 ZINC000082049828 525777958 /nfs/dbraw/zinc/77/79/58/525777958.db2.gz WWYPCDZLNHZJTL-UHFFFAOYSA-N 0 0 360.457 5.005 50 30 FKEARN C=CCc1ccccc1OCCCCSCc1nc2ccccc2[nH]1 ZINC000082087188 519142851 /nfs/dbraw/zinc/14/28/51/519142851.db2.gz IBGVJZRNCBDGGK-UHFFFAOYSA-N 0 0 352.503 5.384 50 30 FKEARN CN(CC(=O)Nc1ccccc1Cl)Cc1csc(-c2ccccc2)n1 ZINC000082098413 522406656 /nfs/dbraw/zinc/40/66/56/522406656.db2.gz BBQDZHRXPUZYOL-UHFFFAOYSA-N 0 0 371.893 5.184 50 30 FKEARN C[C@@H](C(=O)Nc1cccc(Cl)c1)N(C)Cc1c(F)cccc1Cl ZINC000082110917 571165323 /nfs/dbraw/zinc/16/53/23/571165323.db2.gz BUUXJCXHNDFZEK-NSHDSACASA-N 0 0 355.240 5.241 50 30 FKEARN C[C@H](C(=O)Nc1cccc(Cl)c1)N(C)Cc1c(F)cccc1Cl ZINC000082110919 571165337 /nfs/dbraw/zinc/16/53/37/571165337.db2.gz BUUXJCXHNDFZEK-LLVKDONJSA-N 0 0 355.240 5.241 50 30 FKEARN O=C1c2ccccc2S/C1=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000083296972 571047807 /nfs/dbraw/zinc/04/78/07/571047807.db2.gz QUXQPENZBZMAOR-VCHYOVAHSA-N 0 0 373.260 6.583 50 30 FKEARN O=C(/C=C\c1ccc(OC(=O)C2CCCCC2)cc1)c1ccc(F)cc1 ZINC000083314144 571048548 /nfs/dbraw/zinc/04/85/48/571048548.db2.gz NOVVHPDAPKMLMY-NVNXTCNLSA-N 0 0 352.405 5.208 50 30 FKEARN COc1ccc([C@H](Nc2snc(Cl)c2C#N)c2ccc(F)cc2)cc1 ZINC000083938045 571061004 /nfs/dbraw/zinc/06/10/04/571061004.db2.gz QYBGADTXAJOJLJ-MRXNPFEDSA-N 0 0 373.840 5.017 50 30 FKEARN COc1ccc([C@@H](Nc2snc(Cl)c2C#N)c2ccc(F)cc2)cc1 ZINC000083938049 571060957 /nfs/dbraw/zinc/06/09/57/571060957.db2.gz QYBGADTXAJOJLJ-INIZCTEOSA-N 0 0 373.840 5.017 50 30 FKEARN Cc1ccccc1[C@@H]1CCCN1C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000084235485 571080186 /nfs/dbraw/zinc/08/01/86/571080186.db2.gz DIWQXHCHRMWUKI-FQEVSTJZSA-N 0 0 363.461 5.023 50 30 FKEARN O=C1/C(=C\c2ccc(O)c(Cl)c2)CC/C1=C/c1ccc(O)c(Cl)c1 ZINC000084335032 571082490 /nfs/dbraw/zinc/08/24/90/571082490.db2.gz GHXHTBMFAPVGLX-PVRNWPCDSA-N 0 0 361.224 5.235 50 30 FKEARN N#CC1(C(=O)Nc2ccc(Nc3ccc(F)cc3)c3ccncc23)CCCC1 ZINC000084414770 205655016 /nfs/dbraw/zinc/65/50/16/205655016.db2.gz KYBVEJDZBNXLKH-UHFFFAOYSA-N 0 0 374.419 5.140 50 30 FKEARN N#CC1(NC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)CCCC1 ZINC000084452352 571086212 /nfs/dbraw/zinc/08/62/12/571086212.db2.gz ZHJDWNZIQKFZAQ-UHFFFAOYSA-N 0 0 372.799 5.140 50 30 FKEARN N#Cc1cc(-c2ccccc2)sc1NC(=O)[C@@H]1C[C@@H]1c1ccccc1F ZINC000084559977 571089539 /nfs/dbraw/zinc/08/95/39/571089539.db2.gz WJVRRBUZHLMPSN-IAGOWNOFSA-N 0 0 362.429 5.168 50 30 FKEARN N#Cc1cc(-c2ccccc2)sc1NC(=O)[C@H]1C[C@@H]1c1ccccc1F ZINC000084559979 571089583 /nfs/dbraw/zinc/08/95/83/571089583.db2.gz WJVRRBUZHLMPSN-SJORKVTESA-N 0 0 362.429 5.168 50 30 FKEARN N#Cc1cc(-c2ccccc2)sc1NC(=O)[C@@H]1C[C@H]1c1ccccc1F ZINC000084559980 571089596 /nfs/dbraw/zinc/08/95/96/571089596.db2.gz WJVRRBUZHLMPSN-DLBZAZTESA-N 0 0 362.429 5.168 50 30 FKEARN N#Cc1cc(-c2ccccc2)sc1NC(=O)[C@H]1C[C@H]1c1ccccc1F ZINC000084559982 571089573 /nfs/dbraw/zinc/08/95/73/571089573.db2.gz WJVRRBUZHLMPSN-IRXDYDNUSA-N 0 0 362.429 5.168 50 30 FKEARN O=C1c2ccccc2C(=O)C1=Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000084576900 571090390 /nfs/dbraw/zinc/09/03/90/571090390.db2.gz WVDIGIDBGWIJDQ-UHFFFAOYSA-N 0 0 362.331 5.220 50 30 FKEARN N#Cc1c(Cl)nsc1NCc1ccc(-c2nc3ccccc3s2)o1 ZINC000084603807 571092276 /nfs/dbraw/zinc/09/22/76/571092276.db2.gz MKDYGZGAEIIUMO-UHFFFAOYSA-N 0 0 372.862 5.150 50 30 FKEARN C=CCN(C(=O)c1ccc2noc(-c3ccccc3)c2c1)c1ccccc1 ZINC000084638125 571094082 /nfs/dbraw/zinc/09/40/82/571094082.db2.gz CKWMBMMRDQWJES-UHFFFAOYSA-N 0 0 354.409 5.328 50 30 FKEARN CC(C)=C[C@@H]1[C@H](C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)C1(C)C ZINC000084670895 571095433 /nfs/dbraw/zinc/09/54/33/571095433.db2.gz KBQRTSPEVIKSDQ-XJKCOSOUSA-N 0 0 358.894 5.364 50 30 FKEARN CC(C)=C[C@@H]1[C@@H](C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)C1(C)C ZINC000084670899 571095816 /nfs/dbraw/zinc/09/58/16/571095816.db2.gz KBQRTSPEVIKSDQ-IOASZLSFSA-N 0 0 358.894 5.364 50 30 FKEARN CCCCCCCCC(=O)Nc1nc2c(s1)CCc1cc(OC)ccc1-2 ZINC000084710456 519973705 /nfs/dbraw/zinc/97/37/05/519973705.db2.gz LEEJVROBWNSTMG-UHFFFAOYSA-N 0 0 372.534 5.606 50 30 FKEARN CCCCCCCC/C=C/CCCCCCCCCCCC(=O)OCC ZINC000085659321 210235590 /nfs/dbraw/zinc/23/55/90/210235590.db2.gz WFZQLUSOXHIVKL-VAWYXSNFSA-N 0 0 366.630 8.147 50 30 FKEARN CCCCCCCCCCCCCCCCCCCC[C@H](O)C(=O)OC ZINC000085845624 208965620 /nfs/dbraw/zinc/96/56/20/208965620.db2.gz KUHHQOLYDNMSJW-QFIPXVFZSA-N 0 0 370.618 6.952 50 30 FKEARN CCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)OC ZINC000085845627 571206941 /nfs/dbraw/zinc/20/69/41/571206941.db2.gz KUHHQOLYDNMSJW-JOCHJYFZSA-N 0 0 370.618 6.952 50 30 FKEARN COc1ccccc1/C=N\c1ccc2c(c1)nc(C)n2Cc1ccccc1 ZINC000085944403 571096914 /nfs/dbraw/zinc/09/69/14/571096914.db2.gz JNIATJCDNRIDSO-IWIPYMOSSA-N 0 0 355.441 5.152 50 30 FKEARN Cc1nc2cc(/N=C\c3ccc(N(C)C)cc3)ccc2n1Cc1ccccc1 ZINC000085944404 571097006 /nfs/dbraw/zinc/09/70/06/571097006.db2.gz ZQUZFRCGZCLICA-XYGWBWBKSA-N 0 0 368.484 5.210 50 30 FKEARN Cc1nc2cc(/N=C\c3ccc(Cl)cc3)ccc2n1Cc1ccccc1 ZINC000085944405 571096730 /nfs/dbraw/zinc/09/67/30/571096730.db2.gz VOAJKRKWMWBAAH-OYKKKHCWSA-N 0 0 359.860 5.797 50 30 FKEARN CCCCCCCCCCCCCCCCCC(=O)N(CCO)CCO ZINC000085964497 571234124 /nfs/dbraw/zinc/23/41/24/571234124.db2.gz XGZOMURMPLSSKQ-UHFFFAOYSA-N 0 0 371.606 5.061 50 30 FKEARN CCCCCCCCCCCCCCCCCC(=O)Oc1ccccc1 ZINC000086050957 519992794 /nfs/dbraw/zinc/99/27/94/519992794.db2.gz NUMNZKICGJJSHN-UHFFFAOYSA-N 0 0 360.582 7.854 50 30 FKEARN CCCCCCCCCCCCCCCCCC(=O)Nc1ccccc1 ZINC000086050961 519993356 /nfs/dbraw/zinc/99/33/56/519993356.db2.gz ZOLJFBQEKSZVCB-UHFFFAOYSA-N 0 0 359.598 7.887 50 30 FKEARN Cc1ccc(-c2cc(C(=O)Nc3cc(C(C)(C)C)sc3C#N)on2)cc1 ZINC000089641016 525727624 /nfs/dbraw/zinc/72/76/24/525727624.db2.gz SJPCTUKBADZVBV-UHFFFAOYSA-N 0 0 365.458 5.133 50 30 FKEARN CC(C)=C[C@@H]1[C@H](C(=O)[C@@H](C#N)c2ncc(C(F)(F)F)cc2Cl)C1(C)C ZINC000089914081 571274018 /nfs/dbraw/zinc/27/40/18/571274018.db2.gz WDCCUYLBKYBQEA-OUCADQQQSA-N 0 0 370.802 5.168 50 30 FKEARN CC(C)=C[C@@H]1[C@@H](C(=O)[C@@H](C#N)c2ncc(C(F)(F)F)cc2Cl)C1(C)C ZINC000089914083 571274029 /nfs/dbraw/zinc/27/40/29/571274029.db2.gz WDCCUYLBKYBQEA-SCRDCRAPSA-N 0 0 370.802 5.168 50 30 FKEARN CCCC(=O)Nc1cccc(NCC#Cc2ccc(C(F)(F)F)cc2)c1C ZINC000089949380 210237013 /nfs/dbraw/zinc/23/70/13/210237013.db2.gz PUVNCUQHFCXYBK-UHFFFAOYSA-N 0 0 374.406 5.216 50 30 FKEARN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC=C(/C(C)=N\O)[C@@]4(C)CC[C@@H]32)C1 ZINC000090741545 571187671 /nfs/dbraw/zinc/18/76/71/571187671.db2.gz OVKSHCIVDWZSJD-LPYUCGJWSA-N 0 0 371.521 5.267 50 30 FKEARN C/C(=N\c1c(C)cccc1C)c1cccc(/C(C)=N/c2c(C)cccc2C)n1 ZINC000090756124 221747643 /nfs/dbraw/zinc/74/76/43/221747643.db2.gz NAOKKJATLKPZMH-CRYYDKFDSA-N 0 0 369.512 6.597 50 30 FKEARN CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)C(C(C)=O)=CC[C@@H]4[C@@H]3CC[C@H]2C1 ZINC000090760272 571309131 /nfs/dbraw/zinc/30/91/31/571309131.db2.gz GBSGMSKNTLPLQF-ILNRORGJSA-N 0 0 356.506 5.006 50 30 FKEARN FC(F)(F)c1cc(Cl)nc(/N=C(\Cl)c2ccc(Cl)cc2)c1 ZINC000091695322 571242556 /nfs/dbraw/zinc/24/25/56/571242556.db2.gz OZZWMHKLTMOWKM-MTJSOVHGSA-N 0 0 353.558 5.724 50 30 FKEARN O=[N+]([O-])c1ccc(/C=N/c2ccc(/N=C/c3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000095099941 571328681 /nfs/dbraw/zinc/32/86/81/571328681.db2.gz NFIJRJJFEMDZJR-JFMUQQRKSA-N 0 0 374.356 5.004 50 30 FKEARN Cc1cc(C(=O)/C=C/c2ccc(/C=C/C(=O)c3cc(C)oc3C)cc2)c(C)o1 ZINC000095101085 526196228 /nfs/dbraw/zinc/19/62/28/526196228.db2.gz JVKRHODDKBWVQH-WGDLNXRISA-N 0 0 374.436 5.898 50 30 FKEARN COc1cc(/C=C/C(=O)c2ccc3ccccc3c2[O-])ccc1N1CCCC1 ZINC000095217942 570451671 /nfs/dbraw/zinc/45/16/71/570451671.db2.gz PLWDBDHQYOIBBE-UKTHLTGXSA-N 0 0 373.452 5.050 50 30 FKEARN N#Cc1cccnc1Oc1ccccc1NCc1cccc2ccccc21 ZINC000095364882 571328971 /nfs/dbraw/zinc/32/89/71/571328971.db2.gz IXTIRTAUGRTHCM-UHFFFAOYSA-N 0 0 351.409 5.511 50 30 FKEARN C=CCc1cccc2cc(C(=O)Nc3cccc(Cl)c3Cl)c(=O)oc21 ZINC000095471137 571330656 /nfs/dbraw/zinc/33/06/56/571330656.db2.gz ZRBBKSVCVUPRLQ-UHFFFAOYSA-N 0 0 374.223 5.081 50 30 FKEARN C=CCc1cccc2cc(C(=O)Nc3c(Cl)cccc3Cl)c(=O)oc21 ZINC000095471138 210086656 /nfs/dbraw/zinc/08/66/56/210086656.db2.gz VCOJPSNUJNLHHR-UHFFFAOYSA-N 0 0 374.223 5.081 50 30 FKEARN O=C1NC(=Nc2cccc(Cl)c2)C(=Cc2ccc3nccnc3c2)S1 ZINC000095473250 209056491 /nfs/dbraw/zinc/05/64/91/209056491.db2.gz ZXOXHYXYUYWWKL-CXUHLZMHSA-N 0 0 366.833 5.015 50 30 FKEARN O=C1NC(=Nc2ccc(F)c(F)c2)C(=Cc2ccc3ncccc3c2)S1 ZINC000095477657 209058535 /nfs/dbraw/zinc/05/85/35/209058535.db2.gz ARVYRXXNZPPCCF-RQZCQDPDSA-N 0 0 367.380 5.245 50 30 FKEARN Cc1ccc(-c2nc3ccc(/N=C/c4cc(Cl)ccc4O)cc3o2)cc1 ZINC000095482065 570461768 /nfs/dbraw/zinc/46/17/68/570461768.db2.gz FEETZYWKHNYLRZ-FSJBWODESA-N 0 0 362.816 5.913 50 30 FKEARN COc1cccc(/C=N/c2ccc3nc(-c4ccc(C)cc4)oc3c2)c1O ZINC000095482070 570461782 /nfs/dbraw/zinc/46/17/82/570461782.db2.gz PBIYGXVHBCBYGW-YDZHTSKRSA-N 0 0 358.397 5.268 50 30 FKEARN CSc1ccc([C@@H]2C3=C(CCCC3=O)N=C3c4ccccc4C(=O)C32)cc1 ZINC000095483835 571331112 /nfs/dbraw/zinc/33/11/12/571331112.db2.gz GWCHMQIMTOHQSH-LJQANCHMSA-N 0 0 373.477 5.285 50 30 FKEARN CSc1ccc([C@H]2C3=C(CCCC3=O)N=C3c4ccccc4C(=O)C32)cc1 ZINC000095483836 209059601 /nfs/dbraw/zinc/05/96/01/209059601.db2.gz GWCHMQIMTOHQSH-IBGZPJMESA-N 0 0 373.477 5.285 50 30 FKEARN CCCCCCCCCCN(CCCCCCCCCC)c1ccccc1 ZINC000095598875 263429091 /nfs/dbraw/zinc/42/90/91/263429091.db2.gz JJWRKQIITDNSSJ-UHFFFAOYSA-N 0 0 373.669 8.774 50 30 FKEARN Cc1ccc(C(=O)/C=C/S/C(=N/C#N)SCc2ccccc2)cc1 ZINC000095628839 263429604 /nfs/dbraw/zinc/42/96/04/263429604.db2.gz MEVRJHXOIPKYQG-BPYFUBPNSA-N 0 0 352.484 5.195 50 30 FKEARN O=C1N(c2cccc(Cl)c2)/C(=N/c2cccc(Cl)c2)SC12CC2 ZINC000095629525 570470537 /nfs/dbraw/zinc/47/05/37/570470537.db2.gz NAVYMVFRKAFPDV-SILNSSARSA-N 0 0 363.269 5.294 50 30 FKEARN F/C(=C(/F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F ZINC000095676619 570470527 /nfs/dbraw/zinc/47/05/27/570470527.db2.gz UGHJWZHBCXGSAY-OWOJBTEDSA-N 0 0 350.049 5.168 50 30 FKEARN CCCCCCCc1ccc(CNc2ccc(C(=O)OCC)cc2)cc1 ZINC000095686750 209084415 /nfs/dbraw/zinc/08/44/15/209084415.db2.gz MBAPNRRMDJQZEB-UHFFFAOYSA-N 0 0 353.506 5.988 50 30 FKEARN CCCCCCCc1ccc(/C=N/c2ccc(C(=O)OCC)cc2)cc1 ZINC000095686751 221970116 /nfs/dbraw/zinc/97/01/16/221970116.db2.gz VEXYLKQNVUNKKU-HKOYGPOVSA-N 0 0 351.490 6.127 50 30 FKEARN C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C=C ZINC000095707723 570470925 /nfs/dbraw/zinc/47/09/25/570470925.db2.gz PDFSXHZXNZCKNF-UHFFFAOYSA-N 0 0 354.134 5.170 50 30 FKEARN CCCCCCCCCCCCCCCC(=O)OC[C@@H](CC)CCCC ZINC000095721964 221970660 /nfs/dbraw/zinc/97/06/60/221970660.db2.gz SFAAOBGYWOUHLU-QHCPKHFHSA-N 0 0 368.646 8.227 50 30 FKEARN CCCCCCCCCCCCCCCC(=O)OC[C@H](CC)CCCC ZINC000095721966 221970145 /nfs/dbraw/zinc/97/01/45/221970145.db2.gz SFAAOBGYWOUHLU-HSZRJFAPSA-N 0 0 368.646 8.227 50 30 FKEARN CCCCCCCCCc1ccc(-c2cnc(CCCCCC)nc2)cc1 ZINC000095722809 263429146 /nfs/dbraw/zinc/42/91/46/263429146.db2.gz GLLCRGUFTOZOCG-UHFFFAOYSA-N 0 0 366.593 7.560 50 30 FKEARN CCCCCCCCCCCCCCCCCCN1CNC(=S)NC1 ZINC000095722858 570470871 /nfs/dbraw/zinc/47/08/71/570470871.db2.gz XSSITIGJDQCNPD-UHFFFAOYSA-N 0 0 369.663 5.943 50 30 FKEARN CCCCCCCC(=O)Nc1nc2c(s1)CCc1cc(OC)ccc1-2 ZINC000095722861 205794048 /nfs/dbraw/zinc/79/40/48/205794048.db2.gz IASAOUZMVRSTFG-UHFFFAOYSA-N 0 0 358.507 5.216 50 30 FKEARN CCCCCCCCOc1ccc(C=O)cc1OCCCCCCCC ZINC000095731005 571331826 /nfs/dbraw/zinc/33/18/26/571331826.db2.gz ZOKNJOSLKRWLJI-UHFFFAOYSA-N 0 0 362.554 6.978 50 30 FKEARN CCCCCCCNC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl ZINC000095742660 209084488 /nfs/dbraw/zinc/08/44/88/209084488.db2.gz VRPOZQGFXFIWBV-UHFFFAOYSA-N 0 0 369.292 5.657 50 30 FKEARN CCCCCCCCCCCCCCNC(=O)CSc1ccccn1 ZINC000095742823 570471282 /nfs/dbraw/zinc/47/12/82/570471282.db2.gz BPLUSGYHXMRVAP-UHFFFAOYSA-N 0 0 364.599 5.991 50 30 FKEARN CCCCCCCCCCCCCCCCCC(=O)c1cccs1 ZINC000095742869 571133900 /nfs/dbraw/zinc/13/39/00/571133900.db2.gz OUMNVFUQHYWVSC-UHFFFAOYSA-N 0 0 350.612 8.192 50 30 FKEARN CCCCCCCc1ccc(C(=O)N/C(=N/c2ccccn2)SC)cc1 ZINC000095749394 570471380 /nfs/dbraw/zinc/47/13/80/570471380.db2.gz 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O=C(/C=C\c1ccc(Cl)cc1Cl)c1ccc(-c2ccccc2)cc1 ZINC000096021772 209096223 /nfs/dbraw/zinc/09/62/23/209096223.db2.gz FSFFSHQVBVLQLB-QBFSEMIESA-N 0 0 353.248 6.557 50 30 FKEARN CCCCCCCCCCCCSc1ccc([N+](=O)[O-])cc1C(C)=O ZINC000096022861 520013185 /nfs/dbraw/zinc/01/31/85/520013185.db2.gz JSGIUSDGSWKWSK-UHFFFAOYSA-N 0 0 365.539 6.810 50 30 FKEARN CC1(C)CC(=O)C(C(c2cccs2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000096068522 222010199 /nfs/dbraw/zinc/01/01/99/222010199.db2.gz HVQXWPKBPBCTBE-UHFFFAOYSA-N 0 0 374.502 5.234 50 30 FKEARN N#Cc1ccc(COc2ccc3occ(C(=O)c4ccc(F)cc4)c3c2)cc1 ZINC000096184255 209885821 /nfs/dbraw/zinc/88/58/21/209885821.db2.gz ZJQYSYYSFCPIHH-UHFFFAOYSA-N 0 0 371.367 5.254 50 30 FKEARN CCOc1ccc2nc(Cl)c(/C=C\C(=O)c3ccc(F)cc3)cc2c1 ZINC000096190024 571334838 /nfs/dbraw/zinc/33/48/38/571334838.db2.gz DOZKCALWKODJEQ-YHYXMXQVSA-N 0 0 355.796 5.322 50 30 FKEARN Fc1ccc(COc2ccc3ccccc3c2/C=N/c2ccccc2)cc1 ZINC000096237137 571334889 /nfs/dbraw/zinc/33/48/89/571334889.db2.gz 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CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)C(C(C)=O)=C(C)C[C@H]4[C@@H]3CC[C@H]2C1 ZINC000096336271 571309146 /nfs/dbraw/zinc/30/91/46/571309146.db2.gz PPEIBJONECDUEC-KMSQBDAYSA-N 0 0 370.533 5.396 50 30 FKEARN CC(C)(C)c1ccc(-c2nc(C#N)c(NCCOc3ccccc3)o2)cc1 ZINC000096346131 209152355 /nfs/dbraw/zinc/15/23/55/209152355.db2.gz RXCUDJCTHSYTOU-UHFFFAOYSA-N 0 0 361.445 5.002 50 30 FKEARN CCc1nc(C#N)c(NCc2ccc(Oc3ccc(Cl)cc3)cc2)o1 ZINC000096346582 571335486 /nfs/dbraw/zinc/33/54/86/571335486.db2.gz BYQMXXKADBQPCM-UHFFFAOYSA-N 0 0 353.809 5.166 50 30 FKEARN COc1cc(/C=C\c2nc3c(ccc4ccccc34)s2)ccc1OCC#N ZINC000096399867 571335706 /nfs/dbraw/zinc/33/57/06/571335706.db2.gz MGWMHGBYEKQGOZ-XFFZJAGNSA-N 0 0 372.449 5.531 50 30 FKEARN CCc1ccc(C(=O)/C=C\c2cc3ccc(OC)cc3nc2Cl)cc1 ZINC000096400372 222120312 /nfs/dbraw/zinc/12/03/12/222120312.db2.gz CGUCMNRIRBTBON-LUAWRHEFSA-N 0 0 351.833 5.355 50 30 FKEARN Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C1/Cc2ccccc2C1=O ZINC000096401285 205876391 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O=[N+]([O-])c1cc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)ccc1Cl ZINC000096429700 209152690 /nfs/dbraw/zinc/15/26/90/209152690.db2.gz BKIKAHFPYFCDAY-LAMRRIJQSA-N 0 0 364.792 6.414 50 30 FKEARN O=C1/C(=C/c2cccnc2)S/C(=N/c2ccccc2)N1C1CCCCC1 ZINC000096487367 222121404 /nfs/dbraw/zinc/12/14/04/222121404.db2.gz STTITXBGKXWPOC-QUUARBKMSA-N 0 0 363.486 5.018 50 30 FKEARN COc1nc(-c2ccccc2)cc(-c2ccc(Br)cc2)c1C#N ZINC000096562225 571336165 /nfs/dbraw/zinc/33/61/65/571336165.db2.gz KZAPBAUQOZOPOR-UHFFFAOYSA-N 0 0 365.230 5.058 50 30 FKEARN N#C[C@H](OC(=O)N(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000096592245 571336296 /nfs/dbraw/zinc/33/62/96/571336296.db2.gz KGFTUDKVMYCXGW-FQEVSTJZSA-N 0 0 373.368 5.134 50 30 FKEARN N#C[C@@H](OC(=O)N(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000096592246 571336309 /nfs/dbraw/zinc/33/63/09/571336309.db2.gz KGFTUDKVMYCXGW-HXUWFJFHSA-N 0 0 373.368 5.134 50 30 FKEARN CCCN1C(=O)/C(=C\c2ccc(Cl)cc2)S/C1=N/c1ccccc1 ZINC000096610705 570481717 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O=C(/C=C\c1ccc(-c2ccc(Br)cc2)o1)c1cccnc1 ZINC000096766351 527653980 /nfs/dbraw/zinc/65/39/80/527653980.db2.gz ZGAWGQWPDOEWAC-CLFYSBASSA-N 0 0 354.203 5.000 50 30 FKEARN O=C(/C=C\c1cccc(NC(=O)c2ccccc2Cl)c1)c1cccs1 ZINC000096766401 527656891 /nfs/dbraw/zinc/65/68/91/527656891.db2.gz JHBMXKIAPUYILJ-KHPPLWFESA-N 0 0 367.857 5.550 50 30 FKEARN COc1ccc2cc(C(=O)/C=C\c3c(Cl)cccc3Cl)ccc2c1 ZINC000096766659 209157051 /nfs/dbraw/zinc/15/70/51/209157051.db2.gz YOZPPRMAVZVJNO-KTKRTIGZSA-N 0 0 357.236 6.051 50 30 FKEARN COc1ccc2cc(C(=O)/C=C\c3cc(Cl)c(O)c(OC)c3)ccc2c1 ZINC000096766664 525619924 /nfs/dbraw/zinc/61/99/24/525619924.db2.gz DDABACFSUYDVTH-BAQGIRSFSA-N 0 0 368.816 5.112 50 30 FKEARN CCOc1cc(/C=C\C(=O)c2cc(Cl)ccc2Cl)ccc1OC ZINC000096766778 209157956 /nfs/dbraw/zinc/15/79/56/209157956.db2.gz NMNHLLAKXSQITN-YWEYNIOJSA-N 0 0 351.229 5.297 50 30 FKEARN CCc1ccc(/C=C2\CN(CC)C/C(=C\c3ccc(CC)cc3)C2=O)cc1 ZINC000096766846 222128897 /nfs/dbraw/zinc/12/88/97/222128897.db2.gz 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/nfs/dbraw/zinc/87/07/81/523870781.db2.gz ACQYWZYRRJJCRG-CAPFRKAQSA-N 0 0 369.489 6.282 50 30 FKEARN O=C(C=Cc1ccc2ccccc2c1)c1ccc(NC2=NCCCS2)cc1 ZINC000096767542 527656752 /nfs/dbraw/zinc/65/67/52/527656752.db2.gz MKSHSDATZXIIDT-QPEQYQDCSA-N 0 0 372.493 5.450 50 30 FKEARN Cc1cc(C)c(C=CC(=O)c2ccc(NC3=NCCCS3)cc2)cc1C ZINC000096767545 524211368 /nfs/dbraw/zinc/21/13/68/524211368.db2.gz DHOSYLUIMDKQAL-YFHOEESVSA-N 0 0 364.514 5.222 50 30 FKEARN O=C(/C=C\c1ccc(OC(F)F)cc1)c1ccc2c(c1)-c1ccccc1C2 ZINC000096791968 527655205 /nfs/dbraw/zinc/65/52/05/527655205.db2.gz MLUSUYMYEYUXKY-GHXNOFRVSA-N 0 0 362.375 5.755 50 30 FKEARN COc1cc(/C=C\C(=O)c2ccc(OCCC(C)C)cc2)cc(Cl)c1O ZINC000096792068 521982556 /nfs/dbraw/zinc/98/25/56/521982556.db2.gz IUWDSDJDORQNEN-WTKPLQERSA-N 0 0 374.864 5.375 50 30 FKEARN CC(=O)Nc1ccc(/C=C\C(=O)c2ccccc2OCc2ccccc2)cc1 ZINC000096792259 519709179 /nfs/dbraw/zinc/70/91/79/519709179.db2.gz BURDXFUVZPDJCD-SSZFMOIBSA-N 0 0 371.436 5.120 50 30 FKEARN Cc1ccccc1/C=C\C(=O)c1c(C)nc2ccccc2c1-c1ccccc1 ZINC000096817316 222132476 /nfs/dbraw/zinc/13/24/76/222132476.db2.gz ACZFAIBDUYDSFL-MSUUIHNZSA-N 0 0 363.460 6.415 50 30 FKEARN Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)c2cccs2)o1 ZINC000096835079 525838282 /nfs/dbraw/zinc/83/82/82/525838282.db2.gz RGTHGHCNJPSGBZ-KHPPLWFESA-N 0 0 360.438 5.398 50 30 FKEARN CCc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N\c1ccc(F)cc1 ZINC000096868678 222136250 /nfs/dbraw/zinc/13/62/50/222136250.db2.gz FUDZQFXSCLVUNY-MSERELCXSA-N 0 0 350.437 5.141 50 30 FKEARN CCc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N\c1ccc(F)cc1 ZINC000096868679 209160627 /nfs/dbraw/zinc/16/06/27/209160627.db2.gz FUDZQFXSCLVUNY-BZOSTUPMSA-N 0 0 350.437 5.141 50 30 FKEARN CCc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N\c1ccc(OC)cc1 ZINC000096868680 222136599 /nfs/dbraw/zinc/13/65/99/222136599.db2.gz MMYWHJHNYFTJQQ-PNRGMXNKSA-N 0 0 362.473 5.011 50 30 FKEARN CCc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N\c1ccc(OC)cc1 ZINC000096868681 222136380 /nfs/dbraw/zinc/13/63/80/222136380.db2.gz MMYWHJHNYFTJQQ-ITCYTGBBSA-N 0 0 362.473 5.011 50 30 FKEARN CCc1ccc(C=CC(=O)c2ccc(NC3=NC[C@H](CC)S3)cc2)cc1 ZINC000096891539 523873676 /nfs/dbraw/zinc/87/36/76/523873676.db2.gz UNWIYTYDYNCLRV-VHNWJRSRSA-N 0 0 364.514 5.248 50 30 FKEARN CCc1ccc(C=CC(=O)c2ccc(NC3=NC[C@@H](CC)S3)cc2)cc1 ZINC000096891540 523873372 /nfs/dbraw/zinc/87/33/72/523873372.db2.gz UNWIYTYDYNCLRV-KRBJHKROSA-N 0 0 364.514 5.248 50 30 FKEARN COc1cc(/C=C\C(=O)c2ccc(-c3ccccc3)s2)cc(OC)c1O ZINC000096891570 521982257 /nfs/dbraw/zinc/98/22/57/521982257.db2.gz FKXFUGBSRMJEQX-HJWRWDBZSA-N 0 0 366.438 5.034 50 30 FKEARN CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(C#N)cc3)SC2=S)cc1 ZINC000096921021 222139936 /nfs/dbraw/zinc/13/99/36/222139936.db2.gz QIBSTQDTSAEBLC-WQRHYEAKSA-N 0 0 364.495 5.087 50 30 FKEARN CC1(C)CC(=O)C([C@@H]2c3ccccc3OC3=C2C(=O)CC(C)(C)C3)C(=O)C1 ZINC000097053542 222155151 /nfs/dbraw/zinc/15/51/51/222155151.db2.gz CCJIUBMPDVWYLU-IBGZPJMESA-N 0 0 366.457 5.007 50 30 in-vitro FKEARN CC1(C)CC(=O)C([C@H]2c3ccccc3OC3=C2C(=O)CC(C)(C)C3)C(=O)C1 ZINC000097053543 209168090 /nfs/dbraw/zinc/16/80/90/209168090.db2.gz CCJIUBMPDVWYLU-LJQANCHMSA-N 0 0 366.457 5.007 50 30 in-vitro FKEARN O=C(/C=C/c1ccccc1OCc1cccnc1)c1c[nH]c2ccccc12 ZINC000097402605 571095882 /nfs/dbraw/zinc/09/58/82/571095882.db2.gz PMBXXEGIAGPTPI-VAWYXSNFSA-N 0 0 354.409 5.038 50 30 FKEARN O=C(/C=C\c1ccc(Cl)cc1Cl)c1ccc(-c2cccs2)s1 ZINC000097405334 570682905 /nfs/dbraw/zinc/68/29/05/570682905.db2.gz PSMJBVQYDIXLEN-XQRVVYSFSA-N 0 0 365.306 6.680 50 30 FKEARN O=C(/C=C\c1ccccc1)c1cc2c(cc1O)O[C@H](c1ccccc1)CC2 ZINC000097475196 222182819 /nfs/dbraw/zinc/18/28/19/222182819.db2.gz PQJJUGDLEZTYRQ-BLSBEMRDSA-N 0 0 356.421 5.355 50 30 FKEARN O=C(/C=C\c1ccccc1)c1cc2c(cc1O)O[C@@H](c1ccccc1)CC2 ZINC000097475197 222183129 /nfs/dbraw/zinc/18/31/29/222183129.db2.gz PQJJUGDLEZTYRQ-GQZPPLQUSA-N 0 0 356.421 5.355 50 30 FKEARN CCCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccccc1)C2 ZINC000097939855 570497094 /nfs/dbraw/zinc/49/70/94/570497094.db2.gz PSXREHVUYXXTHR-SFHVURJKSA-N 0 0 367.489 5.363 50 30 FKEARN CCCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccccc1)C2 ZINC000097939856 222215965 /nfs/dbraw/zinc/21/59/65/222215965.db2.gz PSXREHVUYXXTHR-GOSISDBHSA-N 0 0 367.489 5.363 50 30 FKEARN CCCCCCCCCCCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000097941882 520016458 /nfs/dbraw/zinc/01/64/58/520016458.db2.gz MCBWJSZNAPHVLA-UHFFFAOYSA-N 0 0 354.878 5.509 50 30 FKEARN CCCCCCCCCCCNC(=O)c1c(C)onc1-c1ccccc1 ZINC000097941883 222217474 /nfs/dbraw/zinc/21/74/74/222217474.db2.gz DLELUDZYHKYDES-UHFFFAOYSA-N 0 0 356.510 5.911 50 30 FKEARN CCCCCCCCCCCCNC(=O)c1cc2ccccc2oc1=O ZINC000097941884 520010329 /nfs/dbraw/zinc/01/03/29/520010329.db2.gz ULHYOSCZOODLTF-UHFFFAOYSA-N 0 0 357.494 5.444 50 30 FKEARN CCCCCCCCCCCc1nn2c(nc3ccccc3c2=O)s1 ZINC000097941885 520017642 /nfs/dbraw/zinc/01/76/42/520017642.db2.gz WRHKGFOZQNRCDM-UHFFFAOYSA-N 0 0 357.523 5.378 50 30 FKEARN CCCCCCCCCCCC(=O)Nc1ccc(C(=O)OCCC)cc1 ZINC000097941889 209197947 /nfs/dbraw/zinc/19/79/47/209197947.db2.gz RBEGSIZIFJTGDI-UHFFFAOYSA-N 0 0 361.526 6.113 50 30 FKEARN CCCCCCCCCCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000097941890 519979054 /nfs/dbraw/zinc/97/90/54/519979054.db2.gz HBJAGXOFAURSOT-UHFFFAOYSA-N 0 0 363.851 6.828 50 30 FKEARN CCCCCCCC(=O)Nc1sc2c(c1C(=O)OCC)CCCCC2 ZINC000097941892 222217409 /nfs/dbraw/zinc/21/74/09/222217409.db2.gz DXKROQFMXCSUGF-UHFFFAOYSA-N 0 0 365.539 5.493 50 30 FKEARN CCCCCCCCCCCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000097941895 519983478 /nfs/dbraw/zinc/98/34/78/519983478.db2.gz ZPUNBRINUDCUGS-UHFFFAOYSA-N 0 0 367.533 7.338 50 30 FKEARN CCCCCCCCCCCC(=O)N(CCCCCC)CCCCCC ZINC000097941896 205929697 /nfs/dbraw/zinc/92/96/97/205929697.db2.gz XHSSRWPBXXGUSL-UHFFFAOYSA-N 0 0 367.662 7.897 50 30 FKEARN CCCCCCCCCCCC(=O)Nc1ccc(C)cc1Br ZINC000097941898 519983830 /nfs/dbraw/zinc/98/38/30/519983830.db2.gz PRPBHNXSSCOXRP-UHFFFAOYSA-N 0 0 368.359 6.617 50 30 FKEARN CCCCCCCCCCCCNC(=O)c1ccc(Br)cc1 ZINC000097941899 520010091 /nfs/dbraw/zinc/01/00/91/520010091.db2.gz IAKWRKKBJHVNNR-UHFFFAOYSA-N 0 0 368.359 6.100 50 30 FKEARN CCCCCCCC(=O)Nc1sc(C)c(-c2ccc(CC)cc2)c1C#N ZINC000097941900 519965466 /nfs/dbraw/zinc/96/54/66/519965466.db2.gz RHAUFPJDNVNIKU-UHFFFAOYSA-N 0 0 368.546 6.457 50 30 FKEARN CCCCCCCC/C=C/CCCCCCCc1nc2ccccc2o1 ZINC000097943419 519967712 /nfs/dbraw/zinc/96/77/12/519967712.db2.gz JVMNXTSNLYVKNR-MDZDMXLPSA-N 0 0 355.566 8.018 50 30 FKEARN CCCCCCCC/C=C/CCCCCCCC(=O)Nc1ccc(O)cc1 ZINC000097943425 519967892 /nfs/dbraw/zinc/96/78/92/519967892.db2.gz HKUIGLREWVTEHA-MDZDMXLPSA-N 0 0 373.581 7.368 50 30 FKEARN CCCCCCCCCCCCCCCCCC/N=C/c1ccccn1 ZINC000097944274 519992812 /nfs/dbraw/zinc/99/28/12/519992812.db2.gz JSGFFLLEFIRNPH-WJTDDFOZSA-N 0 0 358.614 7.762 50 30 FKEARN CCCCCCCC/C=C\CCCCCCCC(=O)OCCOCCO ZINC000097944284 209200389 /nfs/dbraw/zinc/20/03/89/209200389.db2.gz PHDVPEOLXYBNJY-KTKRTIGZSA-N 0 0 370.574 5.576 50 30 FKEARN CCCCCCCCCCNC(CC)=C1N=C(c2ccccc2)OC1=O ZINC000097944447 520019410 /nfs/dbraw/zinc/01/94/10/520019410.db2.gz UQMVQXFANOTMQD-FMQUCBEESA-N 0 0 356.510 5.342 50 30 FKEARN CCCCCCCCCNC(C)=C1N=C(c2ccc(Cl)cc2)OC1=O ZINC000097944454 222217858 /nfs/dbraw/zinc/21/78/58/222217858.db2.gz QHYLXFOEUQJYPW-SDXDJHTJSA-N 0 0 362.901 5.215 50 30 FKEARN Cc1ccc(/C=N/c2nc3ccccc3n2Cc2ccc(C(C)(C)C)cc2)o1 ZINC000097949683 525965830 /nfs/dbraw/zinc/96/58/30/525965830.db2.gz IIQKYIHBHFQJAC-MFKUBSTISA-N 0 0 371.484 6.034 50 30 FKEARN CCCCCCCCCCCCCCCCC(=O)c1ccc(O)c(O)c1 ZINC000097949710 519990164 /nfs/dbraw/zinc/99/01/64/519990164.db2.gz RUVBMOMMJNDVKF-UHFFFAOYSA-N 0 0 362.554 7.152 50 30 FKEARN CCCCCCCCCCCCCCCCCc1nc(C)c(O)c(C)n1 ZINC000097950396 571153133 /nfs/dbraw/zinc/15/31/33/571153133.db2.gz GAPXMSWPJDURSF-UHFFFAOYSA-N 0 0 362.602 7.213 50 30 FKEARN CCCCCCCCCCCCCCCCc1nc2cc(O)ccc2[nH]1 ZINC000097950397 571153140 /nfs/dbraw/zinc/15/31/40/571153140.db2.gz AGQNTKKKHRGFIS-UHFFFAOYSA-N 0 0 358.570 7.292 50 30 FKEARN CCCCCCCCCCCCCC(=O)NCCc1c[nH]c2ccccc12 ZINC000097950591 571294497 /nfs/dbraw/zinc/29/44/97/571294497.db2.gz WKHRRBLLYDJXAL-UHFFFAOYSA-N 0 0 370.581 6.528 50 30 FKEARN CCCCCCCCCCCCCC(=O)NCc1cc(C)c(C)cc1C ZINC000097950596 571294540 /nfs/dbraw/zinc/29/45/40/571294540.db2.gz MCIWEBMJUCWUJW-UHFFFAOYSA-N 0 0 359.598 6.929 50 30 FKEARN CCCCCCCCCCCCCC(=O)N[C@@H](C)CCc1ccccc1 ZINC000097950597 571294512 /nfs/dbraw/zinc/29/45/12/571294512.db2.gz YYMHRJBUBVWTKU-QFIPXVFZSA-N 0 0 359.598 6.825 50 30 FKEARN CCCCCCCCCCCCCC(=O)N[C@H](C)CCc1ccccc1 ZINC000097950598 571294532 /nfs/dbraw/zinc/29/45/32/571294532.db2.gz YYMHRJBUBVWTKU-JOCHJYFZSA-N 0 0 359.598 6.825 50 30 FKEARN CCCCCCCCCCCCCCCCCNC(=O)NCCCC ZINC000097950842 570496902 /nfs/dbraw/zinc/49/69/02/570496902.db2.gz NVLKLEQWSPDNAT-UHFFFAOYSA-N 0 0 354.623 6.957 50 30 FKEARN CCCCCCCCCCCCCC(=O)Nc1ccc([C@@H](C)CC)cc1 ZINC000097950846 570497101 /nfs/dbraw/zinc/49/71/01/570497101.db2.gz YIAAOEWMDDNBHT-NRFANRHFSA-N 0 0 359.598 7.840 50 30 FKEARN CCCCCCCCCCCCCC(=O)Nc1ccc([C@H](C)CC)cc1 ZINC000097950847 570496788 /nfs/dbraw/zinc/49/67/88/570496788.db2.gz YIAAOEWMDDNBHT-OAQYLSRUSA-N 0 0 359.598 7.840 50 30 FKEARN CCCCCCCCCCCCCC(=O)Nc1ccc(CCCC)cc1 ZINC000097950848 570496982 /nfs/dbraw/zinc/49/69/82/570496982.db2.gz ICIZDFPQEYUODX-UHFFFAOYSA-N 0 0 359.598 7.669 50 30 FKEARN CCCCCCCCCCCCCC(=O)NCCc1ccc(Cl)cc1 ZINC000097950851 570496873 /nfs/dbraw/zinc/49/68/73/570496873.db2.gz NTWWQTCKAHWXAN-UHFFFAOYSA-N 0 0 365.989 6.700 50 30 FKEARN CCCCCCCCCCCCCCCCCCOc1ccc(C=O)cc1 ZINC000097950872 570497110 /nfs/dbraw/zinc/49/71/10/570497110.db2.gz AKTNFINCBVUXEH-UHFFFAOYSA-N 0 0 374.609 8.139 50 30 FKEARN Cc1cc(C)c2c(=O)cc(C(F)(F)C(F)(F)C(F)(F)C(F)F)oc2c1 ZINC000097951140 571153101 /nfs/dbraw/zinc/15/31/01/571153101.db2.gz XQVARWPDGVDRHE-UHFFFAOYSA-N 0 0 374.227 5.037 50 30 FKEARN CCCCCCCCCCCc1nnc(NC(=O)Nc2ccccc2)s1 ZINC000097951614 571153164 /nfs/dbraw/zinc/15/31/64/571153164.db2.gz IUJYKAYSFPBUMF-UHFFFAOYSA-N 0 0 374.554 6.255 50 30 FKEARN C=CCCCCCCCCc1nc(SCCCCCCCC)n[nH]1 ZINC000097952131 571153349 /nfs/dbraw/zinc/15/33/49/571153349.db2.gz LARJDNYBVHYYOU-UHFFFAOYSA-N 0 0 351.604 6.717 50 30 FKEARN CCCCCCCCCCSc1n[nH]c(CCCCCCCC)n1 ZINC000097952135 571153379 /nfs/dbraw/zinc/15/33/79/571153379.db2.gz OQXHKGOGIYMOJM-UHFFFAOYSA-N 0 0 353.620 6.941 50 30 FKEARN CCCCCCCn1c2ccccc2nc1NCc1c[nH]c2ccccc12 ZINC000097952344 571153303 /nfs/dbraw/zinc/15/33/03/571153303.db2.gz RUAWEUJZUAVZCZ-UHFFFAOYSA-N 0 0 360.505 6.100 50 30 FKEARN CCCCCCCCCCn1c2nc3ccccc3nc2c2cccc(C)c21 ZINC000097953050 571153584 /nfs/dbraw/zinc/15/35/84/571153584.db2.gz WRNNSRJKZMNNBY-UHFFFAOYSA-N 0 0 373.544 7.187 50 30 FKEARN CCCCCCCn1c2ccc(Cl)cc2c2nc3ccccc3nc21 ZINC000097954973 205928631 /nfs/dbraw/zinc/92/86/31/205928631.db2.gz RCDJLLCGWYSSRF-UHFFFAOYSA-N 0 0 351.881 6.362 50 30 FKEARN CCCCCCCCn1c2ccc(Cl)cc2c2nc3ccccc3nc21 ZINC000097954994 222217614 /nfs/dbraw/zinc/21/76/14/222217614.db2.gz NRGXHFPCTZWPTL-UHFFFAOYSA-N 0 0 365.908 6.752 50 30 FKEARN CCCCCCCCn1c2ccc(OC)cc2c2nc3ccccc3nc21 ZINC000097955183 571153856 /nfs/dbraw/zinc/15/38/56/571153856.db2.gz JONJPQUIAFESGG-UHFFFAOYSA-N 0 0 361.489 6.107 50 30 FKEARN CCCCCCCc1ccc(/C=C/c2ccc(OCCCC)cc2)nc1 ZINC000097958795 209200967 /nfs/dbraw/zinc/20/09/67/209200967.db2.gz AFEKNPUBGMQXID-RVDMUPIBSA-N 0 0 351.534 6.944 50 30 FKEARN CCCCCCCCC(=O)Oc1ccc(/N=N/c2ccc(OC)cc2)cc1 ZINC000097959466 571203464 /nfs/dbraw/zinc/20/34/64/571203464.db2.gz FZYGMIKHMKKUHE-WCWDXBQESA-N 0 0 368.477 6.767 50 30 FKEARN CCCCCCCCCCCC(=O)NCCc1ccc(OC)c(OC)c1 ZINC000097960076 570796430 /nfs/dbraw/zinc/79/64/30/570796430.db2.gz NDDFHOVDGIKYGG-UHFFFAOYSA-N 0 0 363.542 5.283 50 30 FKEARN CCCCCCCOc1ccc(/C=C2\C(=O)ON=C2c2ccccc2)cc1 ZINC000097960139 222217832 /nfs/dbraw/zinc/21/78/32/222217832.db2.gz DIMFSOKQHMAJOF-FXBPSFAMSA-N 0 0 363.457 5.380 50 30 FKEARN Cc1ccc(/C=N/c2cccc3c(/N=C/c4ccc(C)cc4)cccc23)cc1 ZINC000097960678 570796863 /nfs/dbraw/zinc/79/68/63/570796863.db2.gz IWLYJJQZFBBRJR-XUIWWLCJSA-N 0 0 362.476 6.958 50 30 FKEARN Fc1cccc(/C=N/c2cccc3c(/N=C/c4cccc(F)c4)cccc23)c1 ZINC000097960680 222218026 /nfs/dbraw/zinc/21/80/26/222218026.db2.gz AGXXYWGBVKOXOZ-DPCVLPDWSA-N 0 0 370.402 6.619 50 30 FKEARN CCCCCCCOc1ccccc1/C=C1\C(=O)ON=C1c1ccccc1 ZINC000097968526 571204610 /nfs/dbraw/zinc/20/46/10/571204610.db2.gz QWFJPWOYGCCZPE-JZJYNLBNSA-N 0 0 363.457 5.380 50 30 FKEARN CCCCCCCC12CCC(c3ccc(Br)cc3)(CC1)CC2 ZINC000097973002 222218049 /nfs/dbraw/zinc/21/80/49/222218049.db2.gz DIEBGSKSWDFENQ-UHFFFAOYSA-N 0 0 363.383 7.402 50 30 FKEARN CCCCCCCCCN(CCCCCCCCC)C(=O)c1ccncc1 ZINC000097976829 222217627 /nfs/dbraw/zinc/21/76/27/222217627.db2.gz YRWSROYVIOPCRR-UHFFFAOYSA-N 0 0 374.613 7.025 50 30 FKEARN CCCCCCCCCCCCCCNC(=O)CSc1nccn1C ZINC000097976899 570497457 /nfs/dbraw/zinc/49/74/57/570497457.db2.gz WSNWIDHHNIKJJZ-UHFFFAOYSA-N 0 0 367.603 5.330 50 30 FKEARN CCCCCCCCCCCCNC(=O)c1ccc(Cl)cc1Cl ZINC000097976928 570497418 /nfs/dbraw/zinc/49/74/18/570497418.db2.gz DKWSISRFMCTVJQ-UHFFFAOYSA-N 0 0 358.353 6.644 50 30 FKEARN CCCCCCCCCCCCCC(=O)NCc1ccc(Cl)cc1 ZINC000097976939 570497216 /nfs/dbraw/zinc/49/72/16/570497216.db2.gz BMTKFYXXDDXYGP-UHFFFAOYSA-N 0 0 351.962 6.657 50 30 FKEARN CCCCCCCC(=O)N[C@H](Nc1ccccc1)C(Cl)(Cl)Cl ZINC000097977004 570497347 /nfs/dbraw/zinc/49/73/47/570497347.db2.gz FTAONOYZESRVOW-HNNXBMFYSA-N 0 0 365.732 5.272 50 30 FKEARN O=C(/C=C\c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000097992923 570799074 /nfs/dbraw/zinc/79/90/74/570799074.db2.gz VHRWKGKBNIKHMS-SDQBBNPISA-N 0 0 363.344 5.422 50 30 FKEARN CC(C)(C)c1ccc(/C=C2\C(=O)c3ccccc3O[C@H]2c2ccccc2)cc1 ZINC000097993102 222219258 /nfs/dbraw/zinc/21/92/58/222219258.db2.gz ZILIYULDJAAMCQ-MSMNXAATSA-N 0 0 368.476 6.384 50 30 FKEARN CC(C)(C)c1ccc(/C=C2\C(=O)c3ccccc3O[C@@H]2c2ccccc2)cc1 ZINC000097993103 209892983 /nfs/dbraw/zinc/89/29/83/209892983.db2.gz ZILIYULDJAAMCQ-CUPKDKKMSA-N 0 0 368.476 6.384 50 30 FKEARN CCCCCCCCCCCCc1ccc(-c2ccc(CC)cn2)cc1 ZINC000097994384 571215757 /nfs/dbraw/zinc/21/57/57/571215757.db2.gz GMQOMEFVZJBXRZ-UHFFFAOYSA-N 0 0 351.578 7.774 50 30 FKEARN CCCCCCCCCCCCc1ccc(-c2ccc(CCC)cn2)cc1 ZINC000097994386 571215796 /nfs/dbraw/zinc/21/57/96/571215796.db2.gz GIOIKFNEBNYRMA-UHFFFAOYSA-N 0 0 365.605 8.165 50 30 FKEARN CCCCCCCCCCOc1ccc(OC(=O)c2ccncc2)cc1 ZINC000097997000 263432908 /nfs/dbraw/zinc/43/29/08/263432908.db2.gz UUOZEWYUVUCATN-UHFFFAOYSA-N 0 0 355.478 5.820 50 30 FKEARN CCCCCCCCOc1ccc(/C=C/C(=O)Oc2ccc(C)nc2)cc1 ZINC000097997770 571215909 /nfs/dbraw/zinc/21/59/09/571215909.db2.gz KSHIDTLCBROHSN-FOWTUZBSSA-N 0 0 367.489 5.748 50 30 FKEARN C=CCc1ccc(-c2ccc(OCCCCCCCCCC)c(F)c2)nc1 ZINC000097997809 263432899 /nfs/dbraw/zinc/43/28/99/263432899.db2.gz CKVSLDAVGOQURQ-UHFFFAOYSA-N 0 0 369.524 7.136 50 30 FKEARN CCCCCCCCCCOc1ccc(OC(=O)c2cccnc2)cc1 ZINC000097997838 263432745 /nfs/dbraw/zinc/43/27/45/263432745.db2.gz HABOQDORIPCQTQ-UHFFFAOYSA-N 0 0 355.478 5.820 50 30 FKEARN CCCCCCCCCOc1ccc(C=C2SC(=S)NC2=O)cc1 ZINC000097997869 571215997 /nfs/dbraw/zinc/21/59/97/571215997.db2.gz DIDILHHTRIRRLB-SAPNQHFASA-N 0 0 363.548 6.145 50 30 FKEARN CCCCCCCCCc1noc(C2CCC(c3ccccc3)CC2)n1 ZINC000098000450 205930478 /nfs/dbraw/zinc/93/04/78/205930478.db2.gz QULCRPNSKCQNBM-UHFFFAOYSA-N 0 0 354.538 6.804 50 30 FKEARN CCCCCCCCCCCCCCCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000098001239 571217651 /nfs/dbraw/zinc/21/76/51/571217651.db2.gz GNELUUFZICWBAE-UHFFFAOYSA-N 0 0 374.569 6.205 50 30 FKEARN CCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000098001373 205930897 /nfs/dbraw/zinc/93/08/97/205930897.db2.gz OSKQVZNKQOAKCG-UHFFFAOYSA-N 0 0 366.505 6.018 50 30 FKEARN CCCCCCCCCOC(=O)c1ccccc1NC(=O)c1ccccc1 ZINC000098001385 222220143 /nfs/dbraw/zinc/22/01/43/222220143.db2.gz HQSOTWXZEKLQPG-UHFFFAOYSA-N 0 0 367.489 5.846 50 30 FKEARN CCCCCCCCCC(=O)Nc1ccc(C(=O)OCCCCC)cc1 ZINC000098001386 209201435 /nfs/dbraw/zinc/20/14/35/209201435.db2.gz KDDJWZSWZNKGEL-UHFFFAOYSA-N 0 0 361.526 6.113 50 30 FKEARN CCCCCCCCCOC(=O)c1ccc(NC(=O)CCCCC)cc1 ZINC000098001389 222220165 /nfs/dbraw/zinc/22/01/65/222220165.db2.gz AVQXJMQTSYBGDO-UHFFFAOYSA-N 0 0 361.526 6.113 50 30 FKEARN CCCCCCCCCCCCNC(=O)C(=O)Nc1cc(C)ccc1C ZINC000098001452 571217606 /nfs/dbraw/zinc/21/76/06/571217606.db2.gz WCIZDXMSSHOVLV-UHFFFAOYSA-N 0 0 360.542 5.279 50 30 FKEARN CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(C)cn1 ZINC000098001453 570497341 /nfs/dbraw/zinc/49/73/41/570497341.db2.gz YEIAWXWSUJWPHV-UHFFFAOYSA-N 0 0 374.613 7.590 50 30 FKEARN CCCCCCCCCC(=O)Nc1ccc(C(=O)NCCCCCC)cc1 ZINC000098001531 222220047 /nfs/dbraw/zinc/22/00/47/222220047.db2.gz ZYMZFCZWPYUCGK-UHFFFAOYSA-N 0 0 374.569 6.076 50 30 FKEARN CCCCCCCCCCCCS(=O)(=O)C[C@H](O)c1ccccc1 ZINC000098002680 571217694 /nfs/dbraw/zinc/21/76/94/571217694.db2.gz JMHNJKJFQXEXDH-FQEVSTJZSA-N 0 0 354.556 5.056 50 30 FKEARN CCCCCCCCCCCCS(=O)(=O)C[C@@H](O)c1ccccc1 ZINC000098002681 571217655 /nfs/dbraw/zinc/21/76/55/571217655.db2.gz JMHNJKJFQXEXDH-HXUWFJFHSA-N 0 0 354.556 5.056 50 30 FKEARN O=C1/C(=C/c2ccc(O)c(Cl)c2)CC/C1=C\c1ccc(O)c(Cl)c1 ZINC000098009200 571217931 /nfs/dbraw/zinc/21/79/31/571217931.db2.gz GHXHTBMFAPVGLX-FNCQTZNRSA-N 0 0 361.224 5.235 50 30 FKEARN CCCCCCCCC(=O)NCc1ccc(-c2ccccc2)c2ccncc12 ZINC000098020142 222221350 /nfs/dbraw/zinc/22/13/50/222221350.db2.gz SVGZKYPGUYHGNT-UHFFFAOYSA-N 0 0 374.528 6.269 50 30 FKEARN CCCCCCCCCCSCC(=O)Nc1ccc(OCC)cc1 ZINC000098023184 571218586 /nfs/dbraw/zinc/21/85/86/571218586.db2.gz BXOLNYJKINBPGT-UHFFFAOYSA-N 0 0 351.556 5.898 50 30 FKEARN CCCCCCCCCCOc1ccc(C(=O)Nc2nccs2)cc1 ZINC000098023337 209201492 /nfs/dbraw/zinc/20/14/92/209201492.db2.gz RAHXQZKOXGWRFQ-UHFFFAOYSA-N 0 0 360.523 5.915 50 30 FKEARN O=C(C=Cc1cccc(F)c1)c1c(=O)[nH]c2ccccc2c1-c1ccccc1 ZINC000098042399 209201426 /nfs/dbraw/zinc/20/14/26/209201426.db2.gz DFGIMTIIAXERDU-YPKPFQOOSA-N 0 0 369.395 5.643 50 30 FKEARN Cc1cccc(/C=C\C(=O)c2c(C)nc3ccccc3c2-c2ccccc2)c1 ZINC000098042404 222222813 /nfs/dbraw/zinc/22/28/13/222222813.db2.gz SDFCHUHRVCDYKF-NXVVXOECSA-N 0 0 363.460 6.415 50 30 FKEARN CCCCCCCCC(=O)NC(Cc1ccccc1)Cc1ccccc1 ZINC000098042922 222222763 /nfs/dbraw/zinc/22/27/63/222222763.db2.gz WFDNYEXWNHHXLK-UHFFFAOYSA-N 0 0 351.534 5.707 50 30 FKEARN CCCCCCCCOCCNC(=O)C(c1ccccc1)c1ccccc1 ZINC000098043299 520040947 /nfs/dbraw/zinc/04/09/47/520040947.db2.gz KIPSAWSSFXGHGL-UHFFFAOYSA-N 0 0 367.533 5.312 50 30 FKEARN CCCCCCCOc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000098045020 570799758 /nfs/dbraw/zinc/79/97/58/570799758.db2.gz XQJCKRIRZRMSBW-UHFFFAOYSA-N 0 0 354.425 5.892 50 30 FKEARN CCCCCCCc1ccc(-c2ccc(-c3ccc(C#N)cc3)nc2)cc1 ZINC000098045167 222222652 /nfs/dbraw/zinc/22/26/52/222222652.db2.gz AQVUBVQSEJHSDV-UHFFFAOYSA-N 0 0 354.497 6.800 50 30 FKEARN CCCCCCCNC(=O)CCC(=O)N(c1ccccc1)c1ccccc1 ZINC000098045190 520053967 /nfs/dbraw/zinc/05/39/67/520053967.db2.gz LUMXMGLFNGGCGD-UHFFFAOYSA-N 0 0 366.505 5.218 50 30 FKEARN CCCCCCCNC(=O)C[C@@H](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000098045196 520053537 /nfs/dbraw/zinc/05/35/37/520053537.db2.gz KSYPNNGQGPJCHT-GOSISDBHSA-N 0 0 360.542 5.251 50 30 FKEARN CCCCCCCNC(=O)C[C@H](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000098045197 520053632 /nfs/dbraw/zinc/05/36/32/520053632.db2.gz KSYPNNGQGPJCHT-SFHVURJKSA-N 0 0 360.542 5.251 50 30 FKEARN CCCCCCCNC(=O)c1cc2cc(Oc3cccc(C)c3)ccc2[nH]1 ZINC000098045557 209201372 /nfs/dbraw/zinc/20/13/72/209201372.db2.gz IXZVGIUTWRRCOH-UHFFFAOYSA-N 0 0 364.489 5.969 50 30 FKEARN CCCCCCCCNc1cc(C)nc2c(-c3ccccc3)c(C)nn21 ZINC000098048084 209201765 /nfs/dbraw/zinc/20/17/65/209201765.db2.gz UFYWJYZBINUZHE-UHFFFAOYSA-N 0 0 350.510 5.786 50 30 FKEARN CCCCCCCOc1ccc(C(=O)Nc2onc3c2CCCC3)cc1 ZINC000098048200 222222617 /nfs/dbraw/zinc/22/26/17/222222617.db2.gz JNXQBMWSOIGFIH-UHFFFAOYSA-N 0 0 356.466 5.155 50 30 FKEARN CCCCCCCOc1ccc(-c2ccc(-c3noc(CC)n3)cc2)cc1 ZINC000098048371 520061381 /nfs/dbraw/zinc/06/13/81/520061381.db2.gz OIZYMLUXRRCJFH-UHFFFAOYSA-N 0 0 364.489 6.315 50 30 FKEARN CCCCCCCOc1ccc(-c2nnc(-c3ccccc3Cl)o2)cc1 ZINC000098048813 222222890 /nfs/dbraw/zinc/22/28/90/222222890.db2.gz QNECLWQYCOGVPE-UHFFFAOYSA-N 0 0 370.880 6.406 50 30 FKEARN CCCCCCCc1nnc(NC(=O)Nc2ccc(Cl)cc2)s1 ZINC000098050505 222223105 /nfs/dbraw/zinc/22/31/05/222223105.db2.gz DSCDSEDIUSQCQO-UHFFFAOYSA-N 0 0 352.891 5.348 50 30 FKEARN N#Cc1ccccc1/C=C\C(=O)Nc1cccc(C2SCCCS2)c1 ZINC000098054143 222222726 /nfs/dbraw/zinc/22/27/26/222222726.db2.gz QLDSKQWBZKUCHA-KTKRTIGZSA-N 0 0 366.511 5.079 50 30 FKEARN O=C(/C=C\c1cccc(C(F)(F)F)c1)c1ccc(F)c(Br)c1 ZINC000098054182 222223037 /nfs/dbraw/zinc/22/30/37/222223037.db2.gz VVCVJXFIGWIXAD-DAXSKMNVSA-N 0 0 373.143 5.503 50 30 FKEARN Cc1nn(C)c(C)c1C(=O)/C=C\c1ccc(Oc2ccccc2F)c(F)c1 ZINC000098055433 527602643 /nfs/dbraw/zinc/60/26/43/527602643.db2.gz PKXVQELXKKPWQS-NTMALXAHSA-N 0 0 368.383 5.004 50 30 FKEARN O=C(Nc1ccc(F)cc1)Nc1cc(C(F)(F)F)ccc1C(F)(F)F ZINC000098072889 222225583 /nfs/dbraw/zinc/22/55/83/222225583.db2.gz FPJLYPBGFKTIIO-UHFFFAOYSA-N 0 0 366.236 5.507 50 30 FKEARN CC1(C)CC(=O)C(C(c2ccccc2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000098081815 570497756 /nfs/dbraw/zinc/49/77/56/570497756.db2.gz COBPEFBBTXOMCZ-UHFFFAOYSA-N 0 0 368.473 5.173 50 30 FKEARN CC[C@@H](CNc1oc(-c2ccc(Cl)cc2)nc1C#N)c1ccccc1 ZINC000098086565 222228274 /nfs/dbraw/zinc/22/82/74/222228274.db2.gz CVWQCSAQFJWZAS-AWEZNQCLSA-N 0 0 351.837 5.472 50 30 FKEARN CC[C@H](CNc1oc(-c2ccc(Cl)cc2)nc1C#N)c1ccccc1 ZINC000098086566 222228452 /nfs/dbraw/zinc/22/84/52/222228452.db2.gz CVWQCSAQFJWZAS-CQSZACIVSA-N 0 0 351.837 5.472 50 30 FKEARN CC(C)c1ccc(-c2nc3ccc(/N=C/c4ccccc4O)cc3o2)cc1 ZINC000098086879 571236583 /nfs/dbraw/zinc/23/65/83/571236583.db2.gz WATQNFBKBBPDEU-ZVHZXABRSA-N 0 0 356.425 6.074 50 30 FKEARN COc1cccc(/C=N/c2ccc3nc(-c4ccccc4C)oc3c2)c1O ZINC000098086887 209204229 /nfs/dbraw/zinc/20/42/29/209204229.db2.gz PEUZMVRFAXMCDP-YDZHTSKRSA-N 0 0 358.397 5.268 50 30 FKEARN CCc1ccc(-c2nc3ccc(/N=C/c4cccc(OC)c4O)cc3o2)cc1 ZINC000098086888 570497660 /nfs/dbraw/zinc/49/76/60/570497660.db2.gz QGPPEWOYZROYLB-ZVHZXABRSA-N 0 0 372.424 5.522 50 30 FKEARN CCOc1cccc(/C=N/c2ccc3nc(-c4ccccc4C)oc3c2)c1O ZINC000098086890 521317007 /nfs/dbraw/zinc/31/70/07/521317007.db2.gz AWCJCBRVKJWDOV-ZVHZXABRSA-N 0 0 372.424 5.658 50 30 FKEARN Oc1ccc2ccccc2c1/C=N/c1ccc2oc(-c3cccnc3)nc2c1 ZINC000098086929 222228041 /nfs/dbraw/zinc/22/80/41/222228041.db2.gz PTAYVHJBFQSVMR-AFUMVMLFSA-N 0 0 365.392 5.499 50 30 FKEARN Cc1ccccc1NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000098086953 222228062 /nfs/dbraw/zinc/22/80/62/222228062.db2.gz YYYWQLPDZSMJCJ-RGVLZGJSSA-N 0 0 355.781 5.263 50 30 FKEARN Oc1ccc(Br)cc1/C=N/c1ccccc1Nc1ccccc1 ZINC000098086979 209204931 /nfs/dbraw/zinc/20/49/31/209204931.db2.gz QYQWMZPLABBTIV-FYJGNVAPSA-N 0 0 367.246 5.649 50 30 FKEARN CC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(C#N)c(F)c3)cc2)CC1 ZINC000100003360 571127474 /nfs/dbraw/zinc/12/74/74/571127474.db2.gz FXUZUGKUGSWLJI-IYBDPMFKSA-N 0 0 351.421 5.600 50 30 FKEARN CCC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(C#N)c(F)c3)cc2)CC1 ZINC000100003479 209207677 /nfs/dbraw/zinc/20/76/77/209207677.db2.gz WODHCUQSMMCWJW-CALCHBBNSA-N 0 0 365.448 5.990 50 30 FKEARN O=[N+]([O-])c1ccc(Cl)c(/C=N/c2ccc(/N=N/c3ccccc3)cc2)c1 ZINC000100003533 222232080 /nfs/dbraw/zinc/23/20/80/222232080.db2.gz UTEIJUFUJLBTTG-LAMRRIJQSA-N 0 0 364.792 6.414 50 30 FKEARN CCCC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(C#N)cc3)cc2)CC1 ZINC000100003859 571127363 /nfs/dbraw/zinc/12/73/63/571127363.db2.gz QOUBQGAGYOVSAO-PUZFROQSSA-N 0 0 361.485 6.241 50 30 FKEARN CCCCCCCCCCCCc1ccccc1S(=O)(=O)[N-][N+]#N ZINC000100004261 520015145 /nfs/dbraw/zinc/01/51/45/520015145.db2.gz ZCRVPHKAQIHANY-UHFFFAOYSA-N 0 0 351.516 6.149 50 30 FKEARN CCCCCCCCCCCCCCCCCCC(=O)c1ccccc1 ZINC000100005499 519994472 /nfs/dbraw/zinc/99/44/72/519994472.db2.gz WTWRNRBSHQDWMY-UHFFFAOYSA-N 0 0 358.610 8.521 50 30 FKEARN CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC ZINC000100006510 209207924 /nfs/dbraw/zinc/20/79/24/209207924.db2.gz ZYNDJIBBPLNPOW-KHPPLWFESA-N 0 0 352.603 7.757 50 30 in-vitro FKEARN CCCCCCCCCCCCOC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000100008237 520012362 /nfs/dbraw/zinc/01/23/62/520012362.db2.gz ZWKWRFBNNJDURM-UHFFFAOYSA-N 0 0 369.889 6.326 50 30 FKEARN c1ccc(N=NC(N=Nc2cccc3ccccc32)c2ccccc2)cc1 ZINC000100010556 570498168 /nfs/dbraw/zinc/49/81/68/570498168.db2.gz AXEBHHNKLXVOET-XPJAZDQMSA-N 0 0 350.425 6.397 50 30 FKEARN CCCCCCCCCCCCCCCCCCCC1CCCCC1 ZINC000100012534 519994771 /nfs/dbraw/zinc/99/47/71/519994771.db2.gz YVTPTBVYGTYTKP-UHFFFAOYSA-N 0 0 350.675 9.608 50 30 FKEARN CCCCCCCCCCCCCCCCNC(=O)/C=C/c1ccco1 ZINC000100013201 519999475 /nfs/dbraw/zinc/99/94/75/519999475.db2.gz UVVOIUAPKXAFQB-VHEBQXMUSA-N 0 0 361.570 6.890 50 30 FKEARN CCCCCCCOc1ccc(C(=O)Nc2ccc(Cl)c(N)c2)cc1 ZINC000100013571 570498149 /nfs/dbraw/zinc/49/81/49/570498149.db2.gz KWMPOGJSYOTMDI-UHFFFAOYSA-N 0 0 360.885 5.524 50 30 FKEARN CCCCCCCCCCCCCCCCNC(=O)c1cccc(N)c1 ZINC000100015281 519999612 /nfs/dbraw/zinc/99/96/12/519999612.db2.gz JRDKYFNKEMOEEJ-UHFFFAOYSA-N 0 0 360.586 6.480 50 30 FKEARN CCCCCCCCCCCCCCCCNC(=O)c1ccc(N)cc1 ZINC000100015380 519998987 /nfs/dbraw/zinc/99/89/87/519998987.db2.gz ZKUJYHCJFGQJJJ-UHFFFAOYSA-N 0 0 360.586 6.480 50 30 FKEARN CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OCC ZINC000100015597 209207547 /nfs/dbraw/zinc/20/75/47/209207547.db2.gz WFZQLUSOXHIVKL-QXMHVHEDSA-N 0 0 366.630 8.147 50 30 in-vitro FKEARN CCCCCCCCCCCCCC(=O)Oc1ccc2ccccc2c1 ZINC000100023449 519987891 /nfs/dbraw/zinc/98/78/91/519987891.db2.gz SKRXBZIJSNMVFA-UHFFFAOYSA-N 0 0 354.534 7.446 50 30 in-vitro FKEARN Cc1ccc(N=NC(N=Nc2ccc(C)cc2)C(=O)OC(C)(C)C)cc1 ZINC000100025366 525972128 /nfs/dbraw/zinc/97/21/28/525972128.db2.gz GBMKNVSYQHVJBD-MAMLLYSWSA-N 0 0 352.438 5.154 50 30 FKEARN CCCCCCCOc1ccc(CNc2cc(Cl)cc(Cl)c2)cc1 ZINC000100025523 520064903 /nfs/dbraw/zinc/06/49/03/520064903.db2.gz GTZWBNKFCKTHFJ-UHFFFAOYSA-N 0 0 366.332 6.955 50 30 FKEARN CCCCCCCCCCCCC#CC#CCCCCCCCCCO ZINC000100026032 222233416 /nfs/dbraw/zinc/23/34/16/222233416.db2.gz XHKKFKTVKSZQKA-UHFFFAOYSA-N 0 0 360.626 7.417 50 30 FKEARN [O-]c1c(Cl)cc(Cl)cc1/C=N/c1ccc(Oc2ccccc2)cc1 ZINC000100031860 209207819 /nfs/dbraw/zinc/20/78/19/209207819.db2.gz VFBZHXCHFOZMAM-WSDLNYQXSA-N 0 0 358.224 6.242 50 30 FKEARN CCCCCCCOc1ccc(NC[C@@H](C)Oc2cc(C)ccc2C)cc1 ZINC000100033641 520064382 /nfs/dbraw/zinc/06/43/82/520064382.db2.gz WNAVKNGEDGVFCB-OAQYLSRUSA-N 0 0 369.549 6.532 50 30 FKEARN CCCCCCCOc1ccc(NC[C@H](C)Oc2cc(C)ccc2C)cc1 ZINC000100033645 520064588 /nfs/dbraw/zinc/06/45/88/520064588.db2.gz WNAVKNGEDGVFCB-NRFANRHFSA-N 0 0 369.549 6.532 50 30 FKEARN Brc1ccc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)s1 ZINC000100034049 222232611 /nfs/dbraw/zinc/23/26/11/222232611.db2.gz DOIJHLJQBYSPEP-XXKASZFSSA-N 0 0 370.275 6.677 50 30 FKEARN CCCCCCCOc1ccc(CNc2cccc(OCC(C)C)c2)cc1 ZINC000100035313 520064526 /nfs/dbraw/zinc/06/45/26/520064526.db2.gz FBKPMCVKIRYOFA-UHFFFAOYSA-N 0 0 369.549 6.683 50 30 FKEARN CCCCCCCCCCCCc1ccc(S(=O)(=O)[N-][N+]#N)cc1 ZINC000100035337 570498393 /nfs/dbraw/zinc/49/83/93/570498393.db2.gz DYEGEQTYEIHCSO-UHFFFAOYSA-N 0 0 351.516 6.149 50 30 FKEARN O=[N+]([O-])c1ccc(/C=N\c2ccc(/N=C\c3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000100035852 222233226 /nfs/dbraw/zinc/23/32/26/222233226.db2.gz NFIJRJJFEMDZJR-JZTLMNBPSA-N 0 0 374.356 5.004 50 30 FKEARN CCCCCCCCCCCNC(=O)Nc1cc(F)c(F)cc1Cl ZINC000100037718 520016225 /nfs/dbraw/zinc/01/62/25/520016225.db2.gz MOZATJBKTBEPIU-UHFFFAOYSA-N 0 0 360.876 6.271 50 30 FKEARN CCCCCCCCOCCNC(=O)c1ccccc1-c1ccccc1 ZINC000100038543 209208048 /nfs/dbraw/zinc/20/80/48/209208048.db2.gz PTNBVJXREUCHHS-UHFFFAOYSA-N 0 0 353.506 5.461 50 30 FKEARN CCCCCCCOc1cccc(NCCOc2ccccc2C(C)C)c1 ZINC000100038713 520064892 /nfs/dbraw/zinc/06/48/92/520064892.db2.gz PPMVPEIZGVUJNX-UHFFFAOYSA-N 0 0 369.549 6.650 50 30 FKEARN CC(C)C1=CC(=C2C=C(C(C)C)C(=O)C(C(C)C)=C2)C=C(C(C)C)C1=O ZINC000100039028 222233054 /nfs/dbraw/zinc/23/30/54/222233054.db2.gz ARMCFFIHDTWHHK-UHFFFAOYSA-N 0 0 352.518 5.778 50 30 FKEARN CCCCCCCOc1cccc(NCc2ccccc2OCCC)c1 ZINC000100039029 520064868 /nfs/dbraw/zinc/06/48/68/520064868.db2.gz WSWOCGRVNZSPPP-UHFFFAOYSA-N 0 0 355.522 6.437 50 30 FKEARN CCCCCCCOc1cccc(NC[C@@H](C)Oc2ccc(CC)cc2)c1 ZINC000100039052 520064823 /nfs/dbraw/zinc/06/48/23/520064823.db2.gz WYAJAXGZZAWWLQ-HXUWFJFHSA-N 0 0 369.549 6.478 50 30 FKEARN CCCCCCCOc1cccc(NC[C@H](C)Oc2ccc(CC)cc2)c1 ZINC000100039055 520064340 /nfs/dbraw/zinc/06/43/40/520064340.db2.gz WYAJAXGZZAWWLQ-FQEVSTJZSA-N 0 0 369.549 6.478 50 30 FKEARN O=C1/C(=C\c2ccccc2)S/C(=N/c2ccccc2)N1c1ccccc1 ZINC000100041469 222232657 /nfs/dbraw/zinc/23/26/57/222232657.db2.gz NUURGOCMONEDNX-NXFOLNHESA-N 0 0 356.450 5.495 50 30 FKEARN F/C(=C(\F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F ZINC000100046675 222232645 /nfs/dbraw/zinc/23/26/45/222232645.db2.gz UGHJWZHBCXGSAY-UPHRSURJSA-N 0 0 350.049 5.168 50 30 FKEARN FC(F)(F)CCCOC(CCC(F)(F)F)OCCCC(F)(F)F ZINC000100047176 222232538 /nfs/dbraw/zinc/23/25/38/222232538.db2.gz YSHMQRMPKFHHFA-UHFFFAOYSA-N 0 0 364.248 5.373 50 30 FKEARN FC(F)(F)c1cc(C(F)(F)F)c(C(F)(F)F)cc1C(F)(F)F ZINC000100047573 222232770 /nfs/dbraw/zinc/23/27/70/222232770.db2.gz GSZSSHONEMLEPL-UHFFFAOYSA-N 0 0 350.102 5.762 50 30 FKEARN CCCCCCCCCCCC[C@H](CO)CCCCCCCCCC ZINC000100050975 205938622 /nfs/dbraw/zinc/93/86/22/205938622.db2.gz CAYHVMBQBLYQMT-XMMPIXPASA-N 0 0 354.663 8.437 50 30 FKEARN O=C(c1ccccc1)c1cc(Cl)ccc1/N=C/c1ccc([N+](=O)[O-])s1 ZINC000100052057 209208955 /nfs/dbraw/zinc/20/89/55/209208955.db2.gz WNARGGPVJIPZNG-RGVLZGJSSA-N 0 0 370.817 5.291 50 30 FKEARN CCCCCCC[C@@H]1C[C@@H]1C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000100052372 222234067 /nfs/dbraw/zinc/23/40/67/222234067.db2.gz HXMBKUTXMKATOZ-SJLGWRBESA-N 0 0 363.505 7.037 50 30 FKEARN CCCCCCC[C@H]1C[C@@H]1C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000100052375 222234113 /nfs/dbraw/zinc/23/41/13/222234113.db2.gz HXMBKUTXMKATOZ-RHWZNEOSSA-N 0 0 363.505 7.037 50 30 FKEARN CCCCCCC[C@@H]1C[C@H]1C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000100052378 222234253 /nfs/dbraw/zinc/23/42/53/222234253.db2.gz HXMBKUTXMKATOZ-FSRSKBKDSA-N 0 0 363.505 7.037 50 30 FKEARN CCCCCCC[C@H]1C[C@H]1C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000100052383 222234737 /nfs/dbraw/zinc/23/47/37/222234737.db2.gz HXMBKUTXMKATOZ-REXWVETOSA-N 0 0 363.505 7.037 50 30 FKEARN Cc1ccc2nc(-c3ccc(/N=C/c4ccc(N(C)C)cc4)cc3)sc2c1 ZINC000100054440 209209205 /nfs/dbraw/zinc/20/92/05/209209205.db2.gz CVKFELQELFDALL-BUVRLJJBSA-N 0 0 371.509 6.088 50 30 FKEARN C(=N/CCc1ccccc1)\c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000100058483 222233945 /nfs/dbraw/zinc/23/39/45/222233945.db2.gz MVIUNXGANNTQFZ-XIEYBQDHSA-N 0 0 351.453 5.201 50 30 FKEARN C(=N/c1ccc(N2CCOCC2)cc1)\c1cccc(Oc2ccccc2)c1 ZINC000100060275 132232045 /nfs/dbraw/zinc/23/20/45/132232045.db2.gz JWIAHKMPYBUUSF-HKOYGPOVSA-N 0 0 358.441 5.066 50 30 FKEARN CC(=O)C(=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000100068162 222234825 /nfs/dbraw/zinc/23/48/25/222234825.db2.gz VFMZNWQBFDUAKS-MHWRWJLKSA-N 0 0 373.296 5.766 50 30 FKEARN CC(=O)c1ccccc1NC=CC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000100068502 518466115 /nfs/dbraw/zinc/46/61/15/518466115.db2.gz PQEKYPZFGGGWIB-FOCLMDBBSA-N 0 0 357.409 5.490 50 30 FKEARN CCCCCCCCCCNC(=O)C(=O)NCCCCCCCCCC ZINC000100069812 571133622 /nfs/dbraw/zinc/13/36/22/571133622.db2.gz MUNPUTOESFSWAI-UHFFFAOYSA-N 0 0 368.606 5.500 50 30 FKEARN CCCCCCCCCCCCCCCCCc1nc2ccccc2[nH]1 ZINC000100069866 519998654 /nfs/dbraw/zinc/99/86/54/519998654.db2.gz HBTSVVOLHPRTJA-UHFFFAOYSA-N 0 0 356.598 7.977 50 30 FKEARN CC(C)(C)c1cc(/C=N/[C@H]2c3ccccc3C[C@H]2O)c(O)c(C(C)(C)C)c1 ZINC000100073588 570498822 /nfs/dbraw/zinc/49/88/22/570498822.db2.gz MMNHXVSQIRTBOZ-FOYRYCBESA-N 0 0 365.517 5.064 50 30 FKEARN CC(C)(C)c1cc(/C=N/[C@@H]2c3ccccc3C[C@@H]2O)c(O)c(C(C)(C)C)c1 ZINC000100073607 222234074 /nfs/dbraw/zinc/23/40/74/222234074.db2.gz MMNHXVSQIRTBOZ-IJDPNPTPSA-N 0 0 365.517 5.064 50 30 FKEARN CC(C)(C)c1ccc(C(=O)Oc2ccc(/N=C/c3cccs3)cc2)cc1 ZINC000100073829 519023258 /nfs/dbraw/zinc/02/32/58/519023258.db2.gz OSZBWEIGRZSHRL-HZHRSRAPSA-N 0 0 363.482 6.015 50 30 FKEARN CCCCCCCCCCCC(=O)[C@@H](O)CCCCCCCCCCC ZINC000100083420 571179590 /nfs/dbraw/zinc/17/95/90/571179590.db2.gz BKGMUAZOCAXREW-QHCPKHFHSA-N 0 0 368.646 7.758 50 30 FKEARN CCCCCCCCCCCC(=O)[C@H](O)CCCCCCCCCCC ZINC000100083423 571179571 /nfs/dbraw/zinc/17/95/71/571179571.db2.gz BKGMUAZOCAXREW-HSZRJFAPSA-N 0 0 368.646 7.758 50 30 FKEARN CC(=CC(=O)C(F)(F)F)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000100094426 222236165 /nfs/dbraw/zinc/23/61/65/222236165.db2.gz FWIHODFRGUSGOW-QHHAFSJGSA-N 0 0 365.195 5.171 50 30 FKEARN CCCCCCCCCCCCCCCCCCNC(=O)c1ccccc1 ZINC000100097352 519995124 /nfs/dbraw/zinc/99/51/24/519995124.db2.gz HWEOYOXBRATLKT-UHFFFAOYSA-N 0 0 373.625 7.678 50 30 FKEARN CC12CC3(C)CC(C)(C1)CC(C/N=C/c1c(O)ccc4ccccc41)(C2)C3 ZINC000100099889 520787481 /nfs/dbraw/zinc/78/74/81/520787481.db2.gz JOXJRBVBYBJMLO-NSKAYECMSA-N 0 0 361.529 6.351 50 30 FKEARN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)C=CNc1ccc(C)cc1 ZINC000100109133 209209391 /nfs/dbraw/zinc/20/93/91/209209391.db2.gz RGODSCJAJSXRHK-VAWYXSNFSA-N 0 0 368.889 5.889 50 30 FKEARN Cc1cc(C)cc(/N=C2\c3ccccc3N(Cc3ccccc3Cl)C2=O)c1 ZINC000100111295 222235898 /nfs/dbraw/zinc/23/58/98/222235898.db2.gz RSJMQEONJHMPRW-YYDJUVGSSA-N 0 0 374.871 5.624 50 30 FKEARN FC1(F)c2ccc(cc2)C(F)(F)C(F)(F)c2ccc(cc2)C1(F)F ZINC000100119552 570499478 /nfs/dbraw/zinc/49/94/78/570499478.db2.gz KCKIWSAAWFKXMA-UHFFFAOYSA-N 0 0 352.224 5.768 50 30 FKEARN CCCCCCCOc1ccc(/C=N/c2ccc(CCCC)cc2)cc1 ZINC000100128473 520064257 /nfs/dbraw/zinc/06/42/57/520064257.db2.gz PQXJYRGZFLHSAK-LKUDQCMESA-N 0 0 351.534 7.129 50 30 FKEARN Cc1ccc2c(c1)-c1ccccc1/C2=N/c1ccc2c(c1)Cc1ccccc1-2 ZINC000100133498 222236219 /nfs/dbraw/zinc/23/62/19/222236219.db2.gz ZGWSRQNDLJAPSO-DQSJHHFOSA-N 0 0 357.456 6.716 50 30 FKEARN Cc1ccc(C(=O)Oc2ccc(/C=N/c3ccc(F)c(Cl)c3)cc2)cc1 ZINC000100134791 526237960 /nfs/dbraw/zinc/23/79/60/526237960.db2.gz BDDXKGBCNRQCAG-ZMOGYAJESA-N 0 0 367.807 5.757 50 30 FKEARN Cc1ccc(C2=NOC(=O)/C2=C\c2ccc(F)c(Oc3ccccc3)c2)cc1 ZINC000100136311 222236368 /nfs/dbraw/zinc/23/63/68/222236368.db2.gz LJVDBXMYIRIPSK-CPNJWEJPSA-N 0 0 373.383 5.271 50 30 FKEARN Cc1ccc(CSC2=Nc3ccccc3C2=NNc2ccccc2)cc1 ZINC000100142014 209210065 /nfs/dbraw/zinc/21/00/65/209210065.db2.gz BEIYXMPVMVBJRQ-NJNXFGOHSA-N 0 0 357.482 5.788 50 30 FKEARN Cc1ccc(NC=Cc2onc(-c3c(Cl)cccc3Cl)c2C#N)cc1 ZINC000100142791 222237095 /nfs/dbraw/zinc/23/70/95/222237095.db2.gz HQXQJJCBTYNUTC-MDZDMXLPSA-N 0 0 370.239 5.911 50 30 FKEARN Cc1ccc(NC=CC(=O)c2ccc3noc(-c4cccc(F)c4)c3c2)cc1 ZINC000100142933 524914933 /nfs/dbraw/zinc/91/49/33/524914933.db2.gz GXUBUNHAQCFDFE-VAWYXSNFSA-N 0 0 372.399 5.751 50 30 FKEARN Cc1ccc(NC=CC(=O)c2ccc(-n3cnc4ccccc43)cc2)cc1 ZINC000100142935 524913656 /nfs/dbraw/zinc/91/36/56/524913656.db2.gz JLXVBJXFRUQKJC-CCEZHUSRSA-N 0 0 353.425 5.142 50 30 FKEARN Cc1ccc(NC=CC(=O)c2cnc(-c3ccc(Cl)cc3)s2)cc1 ZINC000100142945 209210725 /nfs/dbraw/zinc/21/07/25/209210725.db2.gz PODXYHUQKHJPIM-ZHACJKMWSA-N 0 0 354.862 5.580 50 30 FKEARN Cc1nc(CSc2nsc(C=CNc3ccccc3)c2C#N)cs1 ZINC000100147160 571130805 /nfs/dbraw/zinc/13/08/05/571130805.db2.gz NMUUOQUZXLMABN-BQYQJAHWSA-N 0 0 370.528 5.155 50 30 FKEARN Cc1nc2cc(/N=C/c3ccc([N+](=O)[O-])s3)ccc2n1-c1ccccc1 ZINC000100147187 206222539 /nfs/dbraw/zinc/22/25/39/206222539.db2.gz YGKXILFIMCTTGY-UDWIEESQSA-N 0 0 362.414 5.054 50 30 FKEARN CCC(=O)N(/C=C1\Sc2ccccc2C1=O)c1cccc2ccccc21 ZINC000100155140 222237091 /nfs/dbraw/zinc/23/70/91/222237091.db2.gz PTVPMCKJNJJYKH-ZHZULCJRSA-N 0 0 359.450 5.413 50 30 FKEARN CCCCCCCCCCc1ccc(NC(=C[N+](=O)[O-])SC)cc1 ZINC000100166551 205940180 /nfs/dbraw/zinc/94/01/80/205940180.db2.gz XFJZXNSCSZICRM-MNDPQUGUSA-N 0 0 350.528 6.220 50 30 FKEARN CCCCCCCCCCC/C(=N\NC(N)=S)c1cc(C)ccc1O ZINC000100166601 519981931 /nfs/dbraw/zinc/98/19/31/519981931.db2.gz XYHCXEHTPJSVDY-RELWKKBWSA-N 0 0 363.571 5.159 50 30 FKEARN CCCCCCCCCCCCCCC/C(=N\O)c1cc(C)ccc1O ZINC000100166862 519988862 /nfs/dbraw/zinc/98/88/62/519988862.db2.gz FAAJNIKXSIUEQE-ZNTNEXAZSA-N 0 0 361.570 7.360 50 30 FKEARN CCCCCCCCCCCCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000100167260 520009213 /nfs/dbraw/zinc/00/92/13/520009213.db2.gz QWCRNQDDHOHARC-FOCLMDBBSA-N 0 0 360.498 5.645 50 30 FKEARN CCCCCCCCCCNC(CC)=C1N=C(c2ccccc2)OC1=O ZINC000100167511 570526720 /nfs/dbraw/zinc/52/67/20/570526720.db2.gz UQMVQXFANOTMQD-VXPUYCOJSA-N 0 0 356.510 5.342 50 30 FKEARN CCCCCCCCCCOc1ccc(O)c(/C(=N/O)c2ccccc2)c1 ZINC000100167530 222238589 /nfs/dbraw/zinc/23/85/89/222238589.db2.gz DOQWANPQSKPIQH-WCWDXBQESA-N 0 0 369.505 6.138 50 30 FKEARN CCCCCCCC(=O)Nc1ccc(NC(=O)CCCCCCC)cc1 ZINC000100171521 222238672 /nfs/dbraw/zinc/23/86/72/222238672.db2.gz OCSMVKWEJCGITM-UHFFFAOYSA-N 0 0 360.542 6.285 50 30 FKEARN CC(=O)c1ccc(N=Cc2cccn2-c2ccc(Br)cc2)cc1 ZINC000100222039 209211477 /nfs/dbraw/zinc/21/14/77/209211477.db2.gz IYDJMMOUDSBAJQ-FYJGNVAPSA-N 0 0 367.246 5.193 50 30 FKEARN CCOC(=O)c1ccc(/N=C/c2cccn2-c2ccc(Cl)cc2)cc1 ZINC000100224254 222239814 /nfs/dbraw/zinc/23/98/14/222239814.db2.gz RULIEIAITWVVKW-HYARGMPZSA-N 0 0 352.821 5.058 50 30 FKEARN CCCCCCCCCCCCCCCCOc1ccc([N+](=O)[O-])cc1 ZINC000100225149 520001168 /nfs/dbraw/zinc/00/11/68/520001168.db2.gz HOBVESXNPYPANG-UHFFFAOYSA-N 0 0 363.542 7.455 50 30 FKEARN CCCN1C(=O)/C(=C\c2ccccc2Cl)S/C1=N/c1ccccc1 ZINC000100233433 570501684 /nfs/dbraw/zinc/50/16/84/570501684.db2.gz GZBRHIHYJLXKGG-ZFAMVZCKSA-N 0 0 356.878 5.354 50 30 FKEARN CCCN1C(=O)/C(=C\c2ccc(OC)c(C)c2)S/C1=N/c1ccccc1 ZINC000100233566 209212544 /nfs/dbraw/zinc/21/25/44/209212544.db2.gz OOZYHIDNZNLPLQ-KIOXBDSISA-N 0 0 366.486 5.018 50 30 FKEARN CCCCCCCCSCCS(=O)(=O)CCCCCCCC ZINC000100246050 222239767 /nfs/dbraw/zinc/23/97/67/222239767.db2.gz FXBBBJWUCSTSGG-UHFFFAOYSA-N 0 0 350.634 5.855 50 30 FKEARN CC(=CC(=O)c1ccc(Br)cc1)Nc1ccc(Cl)cc1 ZINC000100246164 209211674 /nfs/dbraw/zinc/21/16/74/209211674.db2.gz JYSIVMUQJLDKBP-ZHACJKMWSA-N 0 0 350.643 5.301 50 30 FKEARN CC(=CC(=O)c1ccc(Cl)cc1)Nc1ccc(Br)cc1 ZINC000100246297 570501962 /nfs/dbraw/zinc/50/19/62/570501962.db2.gz WADSTZIGDJVJSO-ZHACJKMWSA-N 0 0 350.643 5.301 50 30 FKEARN CCCCCCC[C@@H]1CCC/C1=N/OC(=O)c1cccc2ccccc21 ZINC000100247776 205941762 /nfs/dbraw/zinc/94/17/62/205941762.db2.gz GIJWEEYBTRYFAI-MAVBTGMRSA-N 0 0 351.490 6.513 50 30 FKEARN CCCCCCC[C@H]1CCC/C1=N/OC(=O)c1cccc2ccccc21 ZINC000100247781 520068203 /nfs/dbraw/zinc/06/82/03/520068203.db2.gz GIJWEEYBTRYFAI-COPMAWBXSA-N 0 0 351.490 6.513 50 30 FKEARN CCOc1ccc(/N=C2/S/C(=C\c3ccc(C)s3)C(=O)N2CC)cc1 ZINC000100259525 222240747 /nfs/dbraw/zinc/24/07/47/222240747.db2.gz AAEQCUWUPQSQII-QLJNEMMGSA-N 0 0 372.515 5.079 50 30 FKEARN CCCN1C(=O)/C(=C/c2cccs2)S/C1=N/c1ccc(OCC)cc1 ZINC000100259750 222240881 /nfs/dbraw/zinc/24/08/81/222240881.db2.gz WADUCSRXLRLQIH-CAUPHXMNSA-N 0 0 372.515 5.161 50 30 FKEARN CN1c2ccccc2C(C)(C)/C1=C\C=C\C=C1/CCc2ccccc2C1=O ZINC000100265578 570502288 /nfs/dbraw/zinc/50/22/88/570502288.db2.gz XIBFOTMBJMTGKN-SXCGNXAHSA-N 0 0 355.481 5.610 50 30 FKEARN Cn1nc(-c2ccccc2)c(/C=N/c2c(Cl)cccc2Cl)c1Cl ZINC000100271420 222240497 /nfs/dbraw/zinc/24/04/97/222240497.db2.gz VOXALXVFXPAOQL-UFFVCSGVSA-N 0 0 364.663 5.798 50 30 FKEARN Cn1nc(-c2ccccc2)c(/C=N/c2ccc(F)c(Cl)c2F)c1Cl ZINC000100271427 222240828 /nfs/dbraw/zinc/24/08/28/222240828.db2.gz 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CCCCCCCCCCCCCCCCCC(=O)CC(=O)OCC ZINC000100306954 209212566 /nfs/dbraw/zinc/21/25/66/209212566.db2.gz ZSZUZHXUJXYSMM-UHFFFAOYSA-N 0 0 354.575 6.770 50 30 FKEARN CCCCCCCCCCCCCCCCCCOc1ccc(N)cc1 ZINC000100309470 519996877 /nfs/dbraw/zinc/99/68/77/519996877.db2.gz VHLNNLJPJGVFRU-UHFFFAOYSA-N 0 0 361.614 7.909 50 30 FKEARN CCCCCCCCCCCCCCCCCCOc1ccccc1N ZINC000100309476 519997426 /nfs/dbraw/zinc/99/74/26/519997426.db2.gz UWBLXNSLVDXPPV-UHFFFAOYSA-N 0 0 361.614 7.909 50 30 FKEARN Brc1ccc(/C=N\c2ccc(Oc3ccccc3)cc2)s1 ZINC000100309930 570502796 /nfs/dbraw/zinc/50/27/96/570502796.db2.gz WJGVQRMZSRBKTQ-UNOMPAQXSA-N 0 0 358.260 6.054 50 30 FKEARN CCCCCCCCCCCCCCCCOc1ccc(C(C)=O)cc1 ZINC000100310050 520001979 /nfs/dbraw/zinc/00/19/79/520001979.db2.gz WSXOFNJPZMEVNJ-UHFFFAOYSA-N 0 0 360.582 7.749 50 30 FKEARN CCCCCCCCCCCCNC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000100310988 520010350 /nfs/dbraw/zinc/01/03/50/520010350.db2.gz OHOHCBSWUZOKJP-UHFFFAOYSA-N 0 0 373.368 7.036 50 30 FKEARN CCCCCCCc1ccc(C(=O)CCCC2OCC(C)(C)CO2)cc1 ZINC000100312541 520069826 /nfs/dbraw/zinc/06/98/26/520069826.db2.gz FEVRIVHKMHDTPV-UHFFFAOYSA-N 0 0 360.538 5.952 50 30 FKEARN CCCCCCCOc1ccc(C(=O)c2ccc(OC(C)=O)cc2)cc1 ZINC000100314574 520063872 /nfs/dbraw/zinc/06/38/72/520063872.db2.gz AUYNCUHACGSQRQ-UHFFFAOYSA-N 0 0 354.446 5.192 50 30 FKEARN CCCCCCCc1ccc(C(=O)c2ccc(C3OCCO3)s2)cc1 ZINC000100321991 520069795 /nfs/dbraw/zinc/06/97/95/520069795.db2.gz KUUBCQZJZIOSKZ-UHFFFAOYSA-N 0 0 358.503 5.537 50 30 FKEARN CCCCCCCOc1ccc(C(=O)c2ccc(C3OCCO3)s2)cc1 ZINC000100321995 520063813 /nfs/dbraw/zinc/06/38/13/520063813.db2.gz TWOIVXBNIUADIG-UHFFFAOYSA-N 0 0 374.502 5.374 50 30 FKEARN CCCCCCCCCCCCC(=O)c1ccc(C2OCCO2)s1 ZINC000100322048 519985742 /nfs/dbraw/zinc/98/57/42/519985742.db2.gz UGSVSNIJQLEDSU-UHFFFAOYSA-N 0 0 352.540 6.287 50 30 FKEARN CCCCCCCc1ccc(C(=O)CCCCC2OCC(C)(C)CO2)cc1 ZINC000100323084 520070801 /nfs/dbraw/zinc/07/08/01/520070801.db2.gz WASWHLZLAREPJK-UHFFFAOYSA-N 0 0 374.565 6.342 50 30 FKEARN N#Cc1c(C=CNc2cccc(C(F)(F)F)c2)onc1-c1ccccc1 ZINC000100324654 570553376 /nfs/dbraw/zinc/55/33/76/570553376.db2.gz PPGGNKPYXZXUMZ-MDZDMXLPSA-N 0 0 355.319 5.315 50 30 FKEARN O=C1/C(=N\c2cc(Cl)cc(Cl)c2)c2ccccc2N1c1ccccc1 ZINC000100327241 222241702 /nfs/dbraw/zinc/24/17/02/222241702.db2.gz GUOCQDADKJJVBQ-NMWGTECJSA-N 0 0 367.235 5.793 50 30 FKEARN O=C1/C(=N\c2ccccc2C(F)(F)F)c2ccccc2N1c1ccccc1 ZINC000100327251 570553299 /nfs/dbraw/zinc/55/32/99/570553299.db2.gz ZVWACQXPCAKLNW-PLRJNAJWSA-N 0 0 366.342 5.505 50 30 FKEARN O=C1/C(=N\c2ccc(C(F)(F)F)cc2)c2ccccc2N1c1ccccc1 ZINC000100327257 222241392 /nfs/dbraw/zinc/24/13/92/222241392.db2.gz LKJZKWBKJKHTBI-PLRJNAJWSA-N 0 0 366.342 5.505 50 30 FKEARN N#Cc1sc(C=CNc2cccc(C(F)(F)F)c2)nc1C(F)(F)F ZINC000100328793 222241971 /nfs/dbraw/zinc/24/19/71/222241971.db2.gz MIXFEGYKINNQAR-SNAWJCMRSA-N 0 0 363.286 5.135 50 30 FKEARN COc1cc(/N=C/c2cc3ccccc3nc2Cl)c(OC)cc1Cl ZINC000100330767 209212377 /nfs/dbraw/zinc/21/23/77/209212377.db2.gz DFYMWVYQWPQMIX-UFFVCSGVSA-N 0 0 361.228 5.309 50 30 FKEARN CCCCCCCOc1ccc(C(=O)CCCCCC(=O)OCC)cc1 ZINC000100332683 209212477 /nfs/dbraw/zinc/21/24/77/209212477.db2.gz PLKPMYFWURBCHM-UHFFFAOYSA-N 0 0 362.510 5.732 50 30 FKEARN Clc1nc2sccn2c1/C=N/c1ccc(Oc2ccccc2)cc1 ZINC000100334803 570503064 /nfs/dbraw/zinc/50/30/64/570503064.db2.gz JPZNYKRUEKWCDI-UDWIEESQSA-N 0 0 353.834 5.592 50 30 FKEARN CCCCCCCCCCOc1ccc(C(=O)N(C(C)C)C(C)C)cc1 ZINC000100345369 222241916 /nfs/dbraw/zinc/24/19/16/222241916.db2.gz XBGUWWVHWAUUNE-UHFFFAOYSA-N 0 0 361.570 6.465 50 30 FKEARN CCCCCCCCCOc1ccc(C=C2SC(=S)NC2=O)cc1 ZINC000100348282 209213789 /nfs/dbraw/zinc/21/37/89/209213789.db2.gz DIDILHHTRIRRLB-VKAVYKQESA-N 0 0 363.548 5.305 50 30 FKEARN COc1ccc(/N=C\c2cn(-c3ccccc3)nc2-c2cccs2)cc1 ZINC000100349961 222241418 /nfs/dbraw/zinc/24/14/18/222241418.db2.gz WTPLTAMWZCRSIQ-HMAPJEAMSA-N 0 0 359.454 5.360 50 30 FKEARN COc1ccc(NC=CC(=O)c2ccc3noc(-c4ccccc4)c3c2)cc1 ZINC000100363712 524379383 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Clc1ccc(/N=C/c2cccc(OCc3ccccc3)c2)cc1Cl ZINC000100375705 222242729 /nfs/dbraw/zinc/24/27/29/222242729.db2.gz MEHFZGUOMAQNPO-YDZHTSKRSA-N 0 0 356.252 6.323 50 30 FKEARN CSc1cccc(NC=Cc2onc(-c3ccccc3Cl)c2C#N)c1 ZINC000100381240 222242693 /nfs/dbraw/zinc/24/26/93/222242693.db2.gz FNXBNBXTPPUTRJ-MDZDMXLPSA-N 0 0 367.861 5.671 50 30 FKEARN FC(F)(F)c1cc(Cl)c(N=NC2CCCc3ccccc32)c(Cl)c1 ZINC000100381309 222243257 /nfs/dbraw/zinc/24/32/57/222243257.db2.gz LOGJDNRPTIDJEH-HAHDFKILSA-N 0 0 373.205 6.165 50 30 FKEARN Fc1cccc(Cl)c1/C=N/c1cccc(-c2nc3ccccc3o2)c1 ZINC000100384124 570503597 /nfs/dbraw/zinc/50/35/97/570503597.db2.gz KSLRQYVUWAISSS-FSJBWODESA-N 0 0 350.780 6.038 50 30 FKEARN Cc1ccc(-c2nc3cc(/N=C/c4ccc(C(C)C)cc4)ccc3o2)cc1 ZINC000100384151 222242638 /nfs/dbraw/zinc/24/26/38/222242638.db2.gz XJBYXZJPFTVFHC-MFKUBSTISA-N 0 0 354.453 6.677 50 30 FKEARN Clc1cc(/N=C/c2cccc3ccccc23)ccc1N1CCOCC1 ZINC000100384176 132232604 /nfs/dbraw/zinc/23/26/04/132232604.db2.gz LMEMBYWTYOSGBM-HZHRSRAPSA-N 0 0 350.849 5.080 50 30 FKEARN COc1ccccc1/C=N/c1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000100384248 222243358 /nfs/dbraw/zinc/24/33/58/222243358.db2.gz FMZBLRDQGYPHIY-OEAKJJBVSA-N 0 0 364.832 5.352 50 30 FKEARN CCC(=O)Nc1ccc(/N=C/c2cccc(OCc3ccccc3)c2)cc1 ZINC000100384283 521198178 /nfs/dbraw/zinc/19/81/78/521198178.db2.gz ZBPPYWMIWUVVEM-LFVJCYFKSA-N 0 0 358.441 5.365 50 30 FKEARN CCCC(=O)Nc1ccc(/N=C/c2cccc(OCc3ccccc3)c2)cc1 ZINC000100384308 519877351 /nfs/dbraw/zinc/87/73/51/519877351.db2.gz DZWYJGDNHMXEKU-KOEQRZSOSA-N 0 0 372.468 5.755 50 30 FKEARN COc1cc(/N=C/c2c(F)cccc2Cl)ccc1NC(=O)c1ccco1 ZINC000100384318 570503579 /nfs/dbraw/zinc/50/35/79/570503579.db2.gz QNUVLABDACMHGJ-SSDVNMTOSA-N 0 0 372.783 5.084 50 30 FKEARN COc1cc(/N=C/c2ccc(C(C)C)cc2)ccc1NC(=O)c1ccco1 ZINC000100384321 222243346 /nfs/dbraw/zinc/24/33/46/222243346.db2.gz KATSCUKQPFTMKP-OEAKJJBVSA-N 0 0 362.429 5.415 50 30 FKEARN N#Cc1c(C=CNc2ccccc2Cl)onc1-c1ccccc1Cl ZINC000100392085 222242561 /nfs/dbraw/zinc/24/25/61/222242561.db2.gz JGXBUBIAQKVEHO-MDZDMXLPSA-N 0 0 356.212 5.603 50 30 FKEARN O=C(c1ccccc1)c1cc(Cl)ccc1/N=C/c1cccc(Cl)c1 ZINC000100392474 209213272 /nfs/dbraw/zinc/21/32/72/209213272.db2.gz ADMJUEWONNHPPH-YDZHTSKRSA-N 0 0 354.236 5.975 50 30 FKEARN Clc1ccc(/C=N\c2ccccc2-c2nc3ccccc3[nH]2)c(Cl)c1 ZINC000100393517 570556083 /nfs/dbraw/zinc/55/60/83/570556083.db2.gz CBOQHBNVAJASPP-FMCGGJTJSA-N 0 0 366.251 6.287 50 30 FKEARN Clc1ccc(-c2nn(-c3ccccc3)cc2/C=N/Cc2ccccc2)cc1 ZINC000100396616 222243101 /nfs/dbraw/zinc/24/31/01/222243101.db2.gz SJWHPZRCNIPSGA-PCLIKHOPSA-N 0 0 371.871 5.812 50 30 FKEARN Clc1ccc(-c2nn(-c3ccccc3)cc2/C=N/Cc2ccco2)cc1 ZINC000100396632 570839794 /nfs/dbraw/zinc/83/97/94/570839794.db2.gz RNNRMGCVVFXRSJ-YDZHTSKRSA-N 0 0 361.832 5.405 50 30 FKEARN CCCCCCCCCCCCCCCc1noc2c1/C(=N\O)CCC2 ZINC000100400373 520006312 /nfs/dbraw/zinc/00/63/12/520006312.db2.gz RNLIKOTUPOSZCH-NMWGTECJSA-N 0 0 362.558 6.823 50 30 FKEARN Clc1ccc(/N=C2\c3ccccc3CN2c2ccc(Cl)cc2)cc1 ZINC000100400789 570503776 /nfs/dbraw/zinc/50/37/76/570503776.db2.gz UDXLICZFPRSKOW-BSYVCWPDSA-N 0 0 353.252 6.092 50 30 FKEARN N#Cc1c(C=CNc2ccc(Cl)cc2)onc1-c1ccccc1Cl ZINC000100401476 222242700 /nfs/dbraw/zinc/24/27/00/222242700.db2.gz RHXYZIQSFPAUTJ-MDZDMXLPSA-N 0 0 356.212 5.603 50 30 FKEARN Clc1ccc(S/N=C(/c2ccccc2)C(Cl)(Cl)Cl)cc1 ZINC000100401936 222242618 /nfs/dbraw/zinc/24/26/18/222242618.db2.gz COONVMKQDQLNRX-UYRXBGFRSA-N 0 0 365.112 6.207 50 30 FKEARN Clc1cccc(-c2ccc(/C=N/c3ccc(N4CCOCC4)cc3)o2)c1 ZINC000100402500 526971231 /nfs/dbraw/zinc/97/12/31/526971231.db2.gz YJWUORMXRPGVMW-HZHRSRAPSA-N 0 0 366.848 5.187 50 30 FKEARN Clc1ccc(/N=C/c2ccccc2OCc2ccccc2)c(Cl)c1 ZINC000100402646 526939845 /nfs/dbraw/zinc/93/98/45/526939845.db2.gz SZCDYOYMKZVBNB-YDZHTSKRSA-N 0 0 356.252 6.323 50 30 FKEARN N#Cc1c(C=CNc2ccccc2)onc1-c1c(Cl)cccc1Cl ZINC000100403638 570841887 /nfs/dbraw/zinc/84/18/87/570841887.db2.gz JGHSMWUSTWBCOH-MDZDMXLPSA-N 0 0 356.212 5.603 50 30 FKEARN N#Cc1c(C=CNc2cccc(Cl)c2)onc1-c1ccccc1Cl ZINC000100404428 205943007 /nfs/dbraw/zinc/94/30/07/205943007.db2.gz GOVZRNVRLFZAHZ-CMDGGOBGSA-N 0 0 356.212 5.603 50 30 FKEARN O=C(C=CNc1cccc(C(F)(F)F)c1)c1cnc(-c2ccccc2)s1 ZINC000100408070 527598665 /nfs/dbraw/zinc/59/86/65/527598665.db2.gz ZHKFTSYOAASQQG-MDZDMXLPSA-N 0 0 374.387 5.637 50 30 FKEARN O=C1/C(=N/c2ccc(F)cc2)c2ccccc2N1Cc1ccccc1Cl ZINC000100412478 570556552 /nfs/dbraw/zinc/55/65/52/570556552.db2.gz YMYIVWYCGMJDIE-HIXSDJFHSA-N 0 0 364.807 5.147 50 30 FKEARN N#Cc1c(C=CNc2ccc(Cl)cc2)onc1-c1c(F)cccc1Cl ZINC000100417833 222242393 /nfs/dbraw/zinc/24/23/93/222242393.db2.gz OUHXPWSFCZDZTN-CMDGGOBGSA-N 0 0 374.202 5.742 50 30 FKEARN CCCCCCC[C@@H](CCCC1CCCCC1)C(=O)Nc1ccccc1 ZINC000100432820 222244114 /nfs/dbraw/zinc/24/41/14/222244114.db2.gz PCSYKUIXTCRYQS-QFIPXVFZSA-N 0 0 357.582 7.352 50 30 FKEARN CCCCCCC[C@H](CCCC1CCCCC1)C(=O)Nc1ccccc1 ZINC000100432823 222243679 /nfs/dbraw/zinc/24/36/79/222243679.db2.gz PCSYKUIXTCRYQS-JOCHJYFZSA-N 0 0 357.582 7.352 50 30 FKEARN O=C1/C(=C/c2cccs2)S/C(=N/c2ccccc2)N1C1CCCC1 ZINC000100436899 570558048 /nfs/dbraw/zinc/55/80/48/570558048.db2.gz YYSHSMGRAQHSIZ-CAUPHXMNSA-N 0 0 354.500 5.295 50 30 FKEARN O=C1/C(=C/c2cccs2)S/C(=N\c2ccccc2)N1C1CCCCC1 ZINC000100437028 570760803 /nfs/dbraw/zinc/76/08/03/570760803.db2.gz SPVRBDMLDLMFAG-PTPABZONSA-N 0 0 368.527 5.685 50 30 FKEARN CCCCCCCCCCCCCC(=O)Nc1ccc(Cl)cc1Cl ZINC000100441681 519987905 /nfs/dbraw/zinc/98/79/05/519987905.db2.gz YDIRLBYLEAKCFI-UHFFFAOYSA-N 0 0 372.380 7.633 50 30 FKEARN CCCCCCCCCCCCCCCCOc1cccc([N+](=O)[O-])c1 ZINC000100443529 520001285 /nfs/dbraw/zinc/00/12/85/520001285.db2.gz WYSLEDGAQJVVSL-UHFFFAOYSA-N 0 0 363.542 7.455 50 30 FKEARN O=C1/C(=C/c2ccccc2O)S/C(=N/c2ccccc2)N1c1ccccc1 ZINC000100455943 222243690 /nfs/dbraw/zinc/24/36/90/222243690.db2.gz HAMQEJWEZUSIKU-PKEPYMRNSA-N 0 0 372.449 5.201 50 30 FKEARN FC(F)(F)c1cccc(N=CC=CNc2cccc(C(F)(F)F)c2)c1 ZINC000100470410 570504391 /nfs/dbraw/zinc/50/43/91/570504391.db2.gz RZUIQNCSIZJPGE-SEDINMGRSA-N 0 0 358.285 6.052 50 30 FKEARN FC(F)(F)c1cccc(N=CC=CNc2cccc(C(F)(F)F)c2)c1 ZINC000100470412 209214689 /nfs/dbraw/zinc/21/46/89/209214689.db2.gz RZUIQNCSIZJPGE-FKVISXIQSA-N 0 0 358.285 6.052 50 30 FKEARN CCCCCCCOc1ccc(/C=C/C(=O)Oc2ccc(C#N)cc2)cc1 ZINC000100476574 570504444 /nfs/dbraw/zinc/50/44/44/570504444.db2.gz GDGPEIRFCAZFGV-LFIBNONCSA-N 0 0 363.457 5.526 50 30 FKEARN CC1(C)CC(=O)C(=CNc2ccccc2Sc2ccccc2)C(=O)C1 ZINC000100488944 222245541 /nfs/dbraw/zinc/24/55/41/222245541.db2.gz JWMFIRLWRGAKPF-UHFFFAOYSA-N 0 0 351.471 5.092 50 30 FKEARN CCCCCCCCCCCCCCCCO[C@@H]1CCS(=O)(=O)C1 ZINC000100500112 570563243 /nfs/dbraw/zinc/56/32/43/570563243.db2.gz XKIKVSBMWXPRBQ-HXUWFJFHSA-N 0 0 360.604 5.671 50 30 FKEARN CCCCCCCCCCCCCCCCO[C@H]1CCS(=O)(=O)C1 ZINC000100500115 570563201 /nfs/dbraw/zinc/56/32/01/570563201.db2.gz XKIKVSBMWXPRBQ-FQEVSTJZSA-N 0 0 360.604 5.671 50 30 FKEARN COc1cccc(/C=N/c2cc(-c3nc4cc(C)ccc4o3)ccc2C)c1O ZINC000100503081 222245840 /nfs/dbraw/zinc/24/58/40/222245840.db2.gz GNXNSUQNCGXMPZ-ZMOGYAJESA-N 0 0 372.424 5.576 50 30 FKEARN CCOc1cccc(/C=N/c2ccc3oc(-c4cccc(C)c4)nc3c2)c1O ZINC000100505557 570505046 /nfs/dbraw/zinc/50/50/46/570505046.db2.gz WNHBRBCBIKJQFT-ZVHZXABRSA-N 0 0 372.424 5.658 50 30 FKEARN CCOc1cccc(/C=N/c2ccc3oc(-c4ccccc4C)nc3c2)c1O ZINC000100505570 570505042 /nfs/dbraw/zinc/50/50/42/570505042.db2.gz PIRUJMVLFOAKPS-ZVHZXABRSA-N 0 0 372.424 5.658 50 30 FKEARN Cc1cccc2oc(-c3ccc(C)c(/N=C/c4cccc([N+](=O)[O-])c4)c3)nc21 ZINC000100507069 570505070 /nfs/dbraw/zinc/50/50/70/570505070.db2.gz FTSRKUHYXOBTOT-YDZHTSKRSA-N 0 0 371.396 5.770 50 30 FKEARN Cc1cc(O)c(/N=C/c2ccc(-c3cccc(Br)c3)o2)cc1C ZINC000100517773 222246685 /nfs/dbraw/zinc/24/66/85/222246685.db2.gz ZLJGMHCSQIWBTL-SRZZPIQSSA-N 0 0 370.246 5.782 50 30 FKEARN CCCCCCCc1ccc(-c2ccc(OCCCCCC)c(F)c2)nc1 ZINC000100537810 520069498 /nfs/dbraw/zinc/06/94/98/520069498.db2.gz AIEWFRWSOCLSPL-UHFFFAOYSA-N 0 0 371.540 7.360 50 30 FKEARN CCCCCCCCOc1cnc(-c2ccc(CCCCCC)cc2)nc1 ZINC000100539335 520045935 /nfs/dbraw/zinc/04/59/35/520045935.db2.gz JHVRCWNOXXETEY-UHFFFAOYSA-N 0 0 368.565 7.006 50 30 FKEARN Oc1ccc(/N=C/c2ccc(OCc3cccc4ccccc43)cc2)cc1 ZINC000100544991 222246231 /nfs/dbraw/zinc/24/62/31/222246231.db2.gz CIRVTSUWOUJUPP-PCLIKHOPSA-N 0 0 353.421 5.875 50 30 FKEARN CCCCCCCC(=O)N[C@H](Oc1ccccc1)C(Cl)(Cl)Cl ZINC000100555923 519963412 /nfs/dbraw/zinc/96/34/12/519963412.db2.gz FLGWIJWLYAFDSY-OAHLLOKOSA-N 0 0 366.716 5.238 50 30 FKEARN Cc1ccccc1-c1c(=O)c2ccccc2oc1N/N=C/c1ccc(F)cc1 ZINC000100558537 570574153 /nfs/dbraw/zinc/57/41/53/570574153.db2.gz INGFAUBJSBRRPJ-AFUMVMLFSA-N 0 0 372.399 5.354 50 30 FKEARN CCCCCCCCc1cnc(-c2ccc(OC(F)(F)F)cc2)nc1 ZINC000100566250 520048952 /nfs/dbraw/zinc/04/89/52/520048952.db2.gz MGADALABQVYORH-UHFFFAOYSA-N 0 0 352.400 5.945 50 30 FKEARN CCOC(=O)c1c(C)c(C)sc1NC(C)=C1Sc2ccccc2C1=O ZINC000100604269 570581608 /nfs/dbraw/zinc/58/16/08/570581608.db2.gz IBKYDFAOSKEYJL-BOPFTXTBSA-N 0 0 373.499 5.174 50 30 FKEARN CC1(C)CC(=O)C(c2nc3ccccc3s2)=C(NCc2ccccc2)C1 ZINC000100673469 222249587 /nfs/dbraw/zinc/24/95/87/222249587.db2.gz BSGHDHKIPMBIRH-UHFFFAOYSA-N 0 0 362.498 5.186 50 30 FKEARN C/C(CCc1oc2ccc(Br)cc2c1-c1ccc(C)o1)=N/O ZINC000100681347 570592602 /nfs/dbraw/zinc/59/26/02/570592602.db2.gz VULOURFNUUQXKY-GRSHGNNSSA-N 0 0 362.223 5.546 50 30 FKEARN FC(F)(F)c1cccc(N=CC=CNc2cccc(C(F)(F)F)c2)c1 ZINC000100683105 222249436 /nfs/dbraw/zinc/24/94/36/222249436.db2.gz RZUIQNCSIZJPGE-LQXHBIKOSA-N 0 0 358.285 6.052 50 30 FKEARN CCCCCCCCOc1cc2c(c3ccccc13)-c1ccccc1[C@@H]2O ZINC000100690131 520040612 /nfs/dbraw/zinc/04/06/12/520040612.db2.gz OUKKKDJSKQOGDI-VWLOTQADSA-N 0 0 360.497 6.641 50 30 FKEARN CCCCCCCCOc1cc2c(c3ccccc13)-c1ccccc1[C@H]2O ZINC000100690134 520040627 /nfs/dbraw/zinc/04/06/27/520040627.db2.gz OUKKKDJSKQOGDI-RUZDIDTESA-N 0 0 360.497 6.641 50 30 FKEARN CCCCCCCCCCCCCCCCCCNC(=O)c1ccco1 ZINC000100693993 519994938 /nfs/dbraw/zinc/99/49/38/519994938.db2.gz RGMFNNIZXFLPPX-UHFFFAOYSA-N 0 0 363.586 7.271 50 30 FKEARN CCCCCCCCCCCCSCC(=O)Nc1ccc(F)cc1 ZINC000100699474 520013533 /nfs/dbraw/zinc/01/35/33/520013533.db2.gz JABRBCFHPLSWML-UHFFFAOYSA-N 0 0 353.547 6.418 50 30 FKEARN CCCCCCCCCCCCSCC(=O)Nc1ccc(F)cc1F ZINC000100699478 520014375 /nfs/dbraw/zinc/01/43/75/520014375.db2.gz WBNWLHILKHVPBU-UHFFFAOYSA-N 0 0 371.537 6.557 50 30 FKEARN CCCCCCCCCCCCNC(=O)c1cc(Cl)cc(Cl)c1 ZINC000100700859 520009277 /nfs/dbraw/zinc/00/92/77/520009277.db2.gz PIIQFYZDHLJGBQ-UHFFFAOYSA-N 0 0 358.353 6.644 50 30 FKEARN CCCCCCCCCCCCNC(=O)Nc1cccc2ccccc21 ZINC000100702184 520009439 /nfs/dbraw/zinc/00/94/39/520009439.db2.gz VLLWHDCFZRFUKD-UHFFFAOYSA-N 0 0 354.538 6.882 50 30 FKEARN CCCCCCCCCCCCNS(=O)(=O)c1c(C)cc(C)cc1C ZINC000100702196 520009248 /nfs/dbraw/zinc/00/92/48/520009248.db2.gz GVWMUJOYADIDQL-UHFFFAOYSA-N 0 0 367.599 5.811 50 30 FKEARN C=CCOc1c(Br)cccc1/N=N/c1ccc([N+](=O)[O-])cc1 ZINC000100706600 206344878 /nfs/dbraw/zinc/34/48/78/206344878.db2.gz PZFPURCGTVFMQT-ISLYRVAYSA-N 0 0 362.183 5.338 50 30 FKEARN CCCCCCCCCCCCCC(=O)NCCCCCCCCCC ZINC000100720239 205948564 /nfs/dbraw/zinc/94/85/64/205948564.db2.gz QOSGVWONFZVPRS-UHFFFAOYSA-N 0 0 367.662 7.944 50 30 FKEARN CCCCCCCCCCCCSCc1ccc(O)c2ncccc12 ZINC000100733969 520014382 /nfs/dbraw/zinc/01/43/82/520014382.db2.gz NPVHRUDBDHMWMS-UHFFFAOYSA-N 0 0 359.579 7.095 50 30 FKEARN CCCCCCCCCCCCCCCCCCOC(=O)CCS ZINC000100737678 209218095 /nfs/dbraw/zinc/21/80/95/209218095.db2.gz UCUPUEARJPTGKU-UHFFFAOYSA-N 0 0 358.632 7.111 50 30 FKEARN CC(=CC(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000100742957 222250412 /nfs/dbraw/zinc/25/04/12/222250412.db2.gz LSDIZJMRQYWWOD-NTMALXAHSA-N 0 0 351.189 5.100 50 30 FKEARN Cc1c(/C(=N/O)c2ccc(Cl)cc2)oc2ccc3c(C)cc(=O)oc3c12 ZINC000100746107 222251951 /nfs/dbraw/zinc/25/19/51/222251951.db2.gz CMZRRZPSKLLAMU-RELWKKBWSA-N 0 0 367.788 5.036 50 30 FKEARN CCOC(=O)c1c(C)oc2c1C(=CNc1ccccc1)C(=O)c1ccccc1-2 ZINC000100752530 205947190 /nfs/dbraw/zinc/94/71/90/205947190.db2.gz MIIQTLUUEMJQRB-AQTBWJFISA-N 0 0 373.408 5.081 50 30 FKEARN Cc1ccc(C(=O)C=C(Nc2ccccc2O)C(=O)c2ccc(C)cc2)cc1 ZINC000100759082 209217330 /nfs/dbraw/zinc/21/73/30/209217330.db2.gz SNRXYQHKOYCGTB-QNGOZBTKSA-N 0 0 371.436 5.071 50 30 FKEARN CC(C)CC[C@]1(CC/N=C/c2ccc3c(c2)OCO3)CCOC(C)(C)C1 ZINC000100759687 519696500 /nfs/dbraw/zinc/69/65/00/519696500.db2.gz IJZWOXUHBZIEBU-DHNIJCFSSA-N 0 0 359.510 5.236 50 30 FKEARN CC(C)CC[C@@]1(CC/N=C/c2ccc3c(c2)OCO3)CCOC(C)(C)C1 ZINC000100759689 519688154 /nfs/dbraw/zinc/68/81/54/519688154.db2.gz IJZWOXUHBZIEBU-ZZAWEDPDSA-N 0 0 359.510 5.236 50 30 FKEARN CCOc1ccc(/N=C2\C(=O)N3c4c2c(C)ccc4C(C)=CC3(C)C)cc1 ZINC000100795702 570508121 /nfs/dbraw/zinc/50/81/21/570508121.db2.gz MQXAYEFMEPNHMI-GFMRDNFCSA-N 0 0 360.457 5.057 50 30 FKEARN CC1=C(C)C(C)(CCC2(C)C(C)=C(C)C(=O)C(C)=C2C)C(C)=C(C)C1=O ZINC000100807003 222253615 /nfs/dbraw/zinc/25/36/15/222253615.db2.gz ZEXUDCWUDLKBTD-UHFFFAOYSA-N 0 0 354.534 6.290 50 30 FKEARN Cc1ccc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)o1 ZINC000100812378 222254079 /nfs/dbraw/zinc/25/40/79/222254079.db2.gz YPNAOMFZBIWBBO-MFKUBSTISA-N 0 0 352.393 6.137 50 30 FKEARN CCCCCCCCCCCCCCc1scnc1-c1ccccc1 ZINC000100813185 222254603 /nfs/dbraw/zinc/25/46/03/222254603.db2.gz LLTDSKDABKLDHC-UHFFFAOYSA-N 0 0 357.607 8.054 50 30 FKEARN CCCCCCCCCCCCNC(=O)Oc1cccc2cccnc21 ZINC000100813217 520010121 /nfs/dbraw/zinc/01/01/21/520010121.db2.gz YTOSUCUTCNXIPK-UHFFFAOYSA-N 0 0 356.510 6.244 50 30 FKEARN CCCCCCCCC[C@H](CCCCCCCC(=O)OC)SC(C)=O ZINC000100813502 570508472 /nfs/dbraw/zinc/50/84/72/570508472.db2.gz JFGZYGPZTAJMMX-HXUWFJFHSA-N 0 0 372.615 6.679 50 30 FKEARN CCCCCCCCC[C@@H](CCCCCCCC(=O)OC)SC(C)=O ZINC000100813504 570508463 /nfs/dbraw/zinc/50/84/63/570508463.db2.gz JFGZYGPZTAJMMX-FQEVSTJZSA-N 0 0 372.615 6.679 50 30 FKEARN CCCCCCCCCCCn1c(/C=C/c2ccccc2)nc2ccccc21 ZINC000100814712 570602786 /nfs/dbraw/zinc/60/27/86/570602786.db2.gz NYXILKBJDPCXHS-QZQOTICOSA-N 0 0 374.572 7.738 50 30 FKEARN CCCCCCCCCCCCCCNS(=O)(=O)c1ccccc1 ZINC000100815818 520006043 /nfs/dbraw/zinc/00/60/43/520006043.db2.gz VECSBIIEXOGZPG-UHFFFAOYSA-N 0 0 353.572 5.666 50 30 FKEARN CCCCCCCCCCCC(=O)NC(=S)Nc1ccccc1Cl ZINC000100815827 519982272 /nfs/dbraw/zinc/98/22/72/519982272.db2.gz JKCRGVNAYIKKQS-UHFFFAOYSA-N 0 0 368.974 6.074 50 30 FKEARN CCCCCCCCCCCCNS(=O)(=O)c1ccc(Cl)c(N)c1 ZINC000100815864 520009771 /nfs/dbraw/zinc/00/97/71/520009771.db2.gz YJEAWHPBZBWNSC-UHFFFAOYSA-N 0 0 374.978 5.121 50 30 FKEARN Brc1cccc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)c1 ZINC000100840541 206225239 /nfs/dbraw/zinc/22/52/39/206225239.db2.gz YGEPNWRDCMNJAE-XDJDQNRRSA-N 0 0 364.246 6.615 50 30 FKEARN Cc1nc(-c2ccc(/N=C/c3cc(Br)ccc3O)cc2)cs1 ZINC000100841324 206224653 /nfs/dbraw/zinc/22/46/53/206224653.db2.gz ZLPVUYZRLUQBRN-DJKKODMXSA-N 0 0 373.275 5.337 50 30 FKEARN CCCCCCCCCCCCCCCCNC(C)=CC(=O)OCC ZINC000100842031 222255060 /nfs/dbraw/zinc/25/50/60/222255060.db2.gz PWFBYIMDOLWXAR-MRCUWXFGSA-N 0 0 353.591 6.524 50 30 FKEARN CCCCCCCCCCCCONC(=O)Nc1ccccc1Cl ZINC000100844539 520011164 /nfs/dbraw/zinc/01/11/64/520011164.db2.gz CFCCVNLKCGYFDB-UHFFFAOYSA-N 0 0 354.922 6.314 50 30 FKEARN O=C1c2ccccc2SC1=CNc1cc(C(F)(F)F)ccc1Cl ZINC000100845926 570799402 /nfs/dbraw/zinc/79/94/02/570799402.db2.gz UEOIGHZLDOSPRU-RIYZIHGNSA-N 0 0 355.768 5.601 50 30 FKEARN CCCCCCCCn1c(/C=C/c2ccc(OC)cc2)nc2ccccc21 ZINC000100848796 222255316 /nfs/dbraw/zinc/25/53/16/222255316.db2.gz UNUDECTYIAXBJT-OBGWFSINSA-N 0 0 362.517 6.576 50 30 FKEARN CCCCCCCCCCCCCCCCSc1cccc(NN)c1 ZINC000100853180 520003656 /nfs/dbraw/zinc/00/36/56/520003656.db2.gz FBSCEFJPVIUQBL-UHFFFAOYSA-N 0 0 364.643 7.546 50 30 FKEARN CCCCCCCCCCCCCCCc1cc(Cl)nc2ccccc12 ZINC000100853408 520006205 /nfs/dbraw/zinc/00/62/05/520006205.db2.gz NLURTKIFFCHXIV-UHFFFAOYSA-N 0 0 374.012 8.522 50 30 FKEARN CCCCCCCCCCCCCCCCc1ccc2cc(C)ccc2n1 ZINC000100853416 520003291 /nfs/dbraw/zinc/00/32/91/520003291.db2.gz HAYXYRZYJDDRHO-UHFFFAOYSA-N 0 0 367.621 8.567 50 30 FKEARN CCCCCCCCCCCCCCCCSc1nnc(N)s1 ZINC000100853518 520003466 /nfs/dbraw/zinc/00/34/66/520003466.db2.gz QNFGKXBPIUMFMH-UHFFFAOYSA-N 0 0 357.633 6.694 50 30 FKEARN CCCCCCCCCCCCCCCCCCNC(=O)NC(C)(C)C ZINC000100856319 212028010 /nfs/dbraw/zinc/02/80/10/212028010.db2.gz UMWBSTPIYFWBBO-UHFFFAOYSA-N 0 0 368.650 7.346 50 30 FKEARN CCCCCCCCC1(CCCCCCCC)OC(=O)c2ccccc21 ZINC000100857369 222255384 /nfs/dbraw/zinc/25/53/84/222255384.db2.gz ORFSRYZFHXUTCB-UHFFFAOYSA-N 0 0 358.566 7.554 50 30 FKEARN FC(F)(F)C(=C1C2(F)CC3(F)CC(F)(C2)CC1(F)C3)C(F)(F)F ZINC000100858063 209218810 /nfs/dbraw/zinc/21/88/10/209218810.db2.gz DKEFKLVPRHTQMQ-UHFFFAOYSA-N 0 0 356.203 5.232 50 30 FKEARN CCCCCCNC1=C(C(=O)CCC)C(=O)C[C@H](C[C@@H](C)SCC)C1 ZINC000100858571 570799699 /nfs/dbraw/zinc/79/96/99/570799699.db2.gz UNYHPEBIVPSHTA-IAGOWNOFSA-N 0 0 367.599 5.290 50 30 FKEARN CCCCCCNC1=C(C(=O)CCC)C(=O)C[C@@H](C[C@@H](C)SCC)C1 ZINC000100858573 570799670 /nfs/dbraw/zinc/79/96/70/570799670.db2.gz UNYHPEBIVPSHTA-SJORKVTESA-N 0 0 367.599 5.290 50 30 FKEARN CCCCCCNC1=C(C(=O)CCC)C(=O)C[C@H](C[C@H](C)SCC)C1 ZINC000100858576 570799683 /nfs/dbraw/zinc/79/96/83/570799683.db2.gz UNYHPEBIVPSHTA-DLBZAZTESA-N 0 0 367.599 5.290 50 30 FKEARN CCCCCCNC1=C(C(=O)CCC)C(=O)C[C@@H](C[C@H](C)SCC)C1 ZINC000100858579 222254997 /nfs/dbraw/zinc/25/49/97/222254997.db2.gz UNYHPEBIVPSHTA-IRXDYDNUSA-N 0 0 367.599 5.290 50 30 FKEARN Cc1ccc(NN=C(C(=O)c2ccc(C)cc2)c2nc3ccccc3o2)cc1 ZINC000100862680 222255355 /nfs/dbraw/zinc/25/53/55/222255355.db2.gz WOMJFPUQDWKKNZ-QLYXXIJNSA-N 0 0 369.424 5.144 50 30 FKEARN C=CCn1c2ccc(C)cc2s/c1=N\C(=O)c1ccc(C(C)(C)C)cc1 ZINC000100874082 222255339 /nfs/dbraw/zinc/25/53/39/222255339.db2.gz IWGUVOUZHVPBHF-LNVKXUELSA-N 0 0 364.514 5.236 50 30 FKEARN CCCCCCCCCCCC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000100879194 519983331 /nfs/dbraw/zinc/98/33/31/519983331.db2.gz SGHSADYYXXJTLZ-UHFFFAOYSA-N 0 0 369.933 6.217 50 30 FKEARN O=C(C=C(Nc1ccc(Cl)cc1)C(=O)c1ccccc1)c1ccccc1 ZINC000100888058 527592873 /nfs/dbraw/zinc/59/28/73/527592873.db2.gz PJBWCIJKBDSNNU-HMMYKYKNSA-N 0 0 361.828 5.402 50 30 FKEARN Clc1ccc(/C=N/c2ccc3c(c2)ncn3C2CCCCC2)c(Cl)c1 ZINC000100888361 209218554 /nfs/dbraw/zinc/21/85/54/209218554.db2.gz JQAUFRJFNDUOMO-FSJBWODESA-N 0 0 372.299 6.599 50 30 FKEARN CCCCCCCCOc1ccc(-c2nccc(-c3ccco3)n2)cc1 ZINC000100912625 222256189 /nfs/dbraw/zinc/25/61/89/222256189.db2.gz CWFLKXVFYRGGHT-UHFFFAOYSA-N 0 0 350.462 6.143 50 30 FKEARN CCCCCCCCOc1ccc(-c2nccc(C(OC)OC)n2)cc1 ZINC000100912627 209219480 /nfs/dbraw/zinc/21/94/80/209219480.db2.gz IRSJYMNVMAWTEW-UHFFFAOYSA-N 0 0 358.482 5.174 50 30 FKEARN O=C1c2c(ccc3ccccc23)OC1=CNc1cccc(C(F)(F)F)c1 ZINC000100914097 209219528 /nfs/dbraw/zinc/21/95/28/209219528.db2.gz KPWHGMYAKUUHDR-BOPFTXTBSA-N 0 0 355.315 5.387 50 30 FKEARN N#Cc1cc(-c2ccccc2)oc1/N=C/c1ccc(Oc2ccccc2)cc1 ZINC000100914378 205950068 /nfs/dbraw/zinc/95/00/68/205950068.db2.gz HSWHNNKKSISUHH-YZSQISJMSA-N 0 0 364.404 6.361 50 30 FKEARN N#Cc1cc(-c2ccccc2)oc1/N=C/c1ccc(Br)s1 ZINC000100914390 209218450 /nfs/dbraw/zinc/21/84/50/209218450.db2.gz QOMDXWCOZAMXCY-VXLYETTFSA-N 0 0 357.232 5.393 50 30 FKEARN CC(=CC(=O)c1ccc2ccccc2c1)Nc1ccc(OC(F)(F)F)cc1 ZINC000100914543 518430826 /nfs/dbraw/zinc/43/08/26/518430826.db2.gz JQNLORURPVGCPO-WYMLVPIESA-N 0 0 371.358 5.937 50 30 FKEARN O=C(c1ccccc1)C(C(=O)c1ccccc1)c1ccc2ccccc2n1 ZINC000100925067 570800681 /nfs/dbraw/zinc/80/06/81/570800681.db2.gz BJXLOGJKRRHANH-FCQUAONHSA-N 0 0 351.405 5.544 50 30 FKEARN O/N=C(/c1cc2cc3ccccc3nc2s1)c1ccc(Cl)cc1Cl ZINC000100925340 222257612 /nfs/dbraw/zinc/25/76/12/222257612.db2.gz JDKKDJZXSLRXNE-OQKWZONESA-N 0 0 373.264 5.983 50 30 FKEARN CCCCCCCCOc1ccc(/C=C2\SC(=S)N(C)C2=O)cc1 ZINC000100926430 570800666 /nfs/dbraw/zinc/80/06/66/570800666.db2.gz LETXGNFACGYBFQ-VKAVYKQESA-N 0 0 363.548 5.257 50 30 FKEARN C=CCNC(=S)NCCCCCCCCCCCCCCCCCC ZINC000100965478 206288991 /nfs/dbraw/zinc/28/89/91/206288991.db2.gz LEJAJYAFJCVHOB-UHFFFAOYSA-N 0 0 368.675 6.898 50 30 FKEARN CCCCCCCCCCCCCCCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000100969822 571133890 /nfs/dbraw/zinc/13/38/90/571133890.db2.gz NHWSBTLYEOXNSU-UHFFFAOYSA-N 0 0 373.581 7.309 50 30 FKEARN CCCCCCCCCCCCCCCC(=O)Nc1c(C)cc(C)cc1C ZINC000100970877 571133951 /nfs/dbraw/zinc/13/39/51/571133951.db2.gz CANJSYOTQJYHAL-UHFFFAOYSA-N 0 0 373.625 8.032 50 30 FKEARN CCCCCCCCCCCCCCCC(=O)Nc1ccccc1CC ZINC000100970879 571133895 /nfs/dbraw/zinc/13/38/95/571133895.db2.gz UVUPFCGPOGEQLL-UHFFFAOYSA-N 0 0 359.598 7.669 50 30 FKEARN CCCCCCCCCCCCCCCC(=O)Nc1ccc(CC)cc1 ZINC000100970882 571133945 /nfs/dbraw/zinc/13/39/45/571133945.db2.gz YRNGKRCFNRLWNE-UHFFFAOYSA-N 0 0 359.598 7.669 50 30 FKEARN CCCCCCCCCCCCCCCC(=O)Nc1c(C)cccc1C ZINC000100970884 571133943 /nfs/dbraw/zinc/13/39/43/571133943.db2.gz WMNABPDSGAMDRY-UHFFFAOYSA-N 0 0 359.598 7.723 50 30 FKEARN CCCCCCCCCCCCCCCC(=O)Nc1cccc(C)c1C ZINC000100970885 571133955 /nfs/dbraw/zinc/13/39/55/571133955.db2.gz ALPJCHKDOVZUKE-UHFFFAOYSA-N 0 0 359.598 7.723 50 30 FKEARN CCCCCCCCCCCCCCCC(=O)Nc1ccc(C)cc1C ZINC000100970887 571133916 /nfs/dbraw/zinc/13/39/16/571133916.db2.gz LYBSYOKIVZJHTM-UHFFFAOYSA-N 0 0 359.598 7.723 50 30 FKEARN CCCCCCCCCCCC(=O)NC(=S)Nc1cccc(Cl)c1 ZINC000100971453 263437578 /nfs/dbraw/zinc/43/75/78/263437578.db2.gz FNOYERCYLBXUHS-UHFFFAOYSA-N 0 0 368.974 6.074 50 30 FKEARN CCCCCCCCCCCC(=O)NC(=S)Nc1ccc(OC)cc1 ZINC000100971458 571133939 /nfs/dbraw/zinc/13/39/39/571133939.db2.gz UVNUMXHTNGBWFB-UHFFFAOYSA-N 0 0 364.555 5.429 50 30 FKEARN O=C1c2ccccc2SC1=CNc1cc(C(F)(F)F)ccc1Cl ZINC000100981975 222259094 /nfs/dbraw/zinc/25/90/94/222259094.db2.gz UEOIGHZLDOSPRU-ZSOIEALJSA-N 0 0 355.768 5.601 50 30 FKEARN CCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCC ZINC000100997202 222258910 /nfs/dbraw/zinc/25/89/10/222258910.db2.gz KYMPOPAPQCIHEG-UHFFFAOYSA-N 0 0 368.606 5.500 50 30 FKEARN CCCCCCCCCCCCCCCCCC(=O)Nc1cccc(N)c1 ZINC000100998847 519993323 /nfs/dbraw/zinc/99/33/23/519993323.db2.gz GGPJOMDHZXREGD-UHFFFAOYSA-N 0 0 374.613 7.469 50 30 FKEARN CCCCCCCCCCCCNC(=O)C(=O)Nc1c(C)cc(C)cc1C ZINC000100999205 520009619 /nfs/dbraw/zinc/00/96/19/520009619.db2.gz IOJIWCZYNSBQRT-UHFFFAOYSA-N 0 0 374.569 5.587 50 30 FKEARN CCCCCCCCCCCCCCCCOC(=O)/C=C/c1ccccc1 ZINC000101007961 520001042 /nfs/dbraw/zinc/00/10/42/520001042.db2.gz DGRQAULORKBRKT-QURGRASLSA-N 0 0 372.593 7.724 50 30 FKEARN CCCCCCCCCC[N+](C)(C)CCCCCCCCCCC(=O)[O-] ZINC000101012115 209220476 /nfs/dbraw/zinc/22/04/76/209220476.db2.gz DRKPHVDOTJCZQU-UHFFFAOYSA-O 0 0 370.642 6.799 50 30 FKEARN CCCCCCCCCCCCCCCCCCCCP(C)(C)=O ZINC000101012643 209220593 /nfs/dbraw/zinc/22/05/93/209220593.db2.gz AXGURKDDROHGQI-UHFFFAOYSA-N 0 0 358.591 8.651 50 30 FKEARN CCCCCCCCOc1ccc(OCCCCCCCC)c(C)c1C ZINC000101013661 222259912 /nfs/dbraw/zinc/25/99/12/222259912.db2.gz NIVSNGBDRCXUBH-UHFFFAOYSA-N 0 0 362.598 7.782 50 30 FKEARN CCCCCCCCCCCCCCCC(=O)c1ccc(Cl)cc1 ZINC000101014042 519990483 /nfs/dbraw/zinc/99/04/83/519990483.db2.gz NXEDGJRDJCXVLE-UHFFFAOYSA-N 0 0 350.974 8.004 50 30 FKEARN CCCCCCCCCCCCCCCCOc1ccc(Cl)cc1N ZINC000101014063 520002101 /nfs/dbraw/zinc/00/21/01/520002101.db2.gz OQLHVXMTHQPJPJ-UHFFFAOYSA-N 0 0 368.005 7.782 50 30 FKEARN CCCCCCCCCCCCSCCNC(=O)CN1CCCCC1 ZINC000101014539 520014332 /nfs/dbraw/zinc/01/43/32/520014332.db2.gz FRLOUZZIDJJQMD-UHFFFAOYSA-N 0 0 370.647 5.243 50 30 FKEARN CCCCCCCCCCCCCCCCCC1SCCCS1 ZINC000101015495 519994757 /nfs/dbraw/zinc/99/47/57/519994757.db2.gz SOEJJXNHFBXXLY-UHFFFAOYSA-N 0 0 358.701 8.444 50 30 FKEARN CCCCCCCCCCCCCCCCNc1cc(C)cc(Cl)c1 ZINC000101015875 520001693 /nfs/dbraw/zinc/00/16/93/520001693.db2.gz FMAWAVPJKDWTIV-UHFFFAOYSA-N 0 0 366.033 8.542 50 30 FKEARN CCCCCCCCCCCCCCCCn1c2ccccc2sc1=N ZINC000101015896 520004307 /nfs/dbraw/zinc/00/43/07/520004307.db2.gz VMVFVPCJTUHQJM-UHFFFAOYSA-N 0 0 374.638 7.664 50 30 FKEARN CCCCCCCCCCCC(CCCCCCCCCCC)=NO ZINC000101016208 571091748 /nfs/dbraw/zinc/09/17/48/571091748.db2.gz RZFMDNXBQJACKD-UHFFFAOYSA-N 0 0 353.635 8.658 50 30 FKEARN CCCCCCCCCCCCCCCCOc1ccc(C)cc1C(C)=O ZINC000101016252 520002166 /nfs/dbraw/zinc/00/21/66/520002166.db2.gz NWAYHDXYPDHJMY-UHFFFAOYSA-N 0 0 374.609 8.058 50 30 FKEARN CCCCCCCCCCCCCCCCCC(CC)(CC)NC=O ZINC000101016414 203826671 /nfs/dbraw/zinc/82/66/71/203826671.db2.gz JAZZCZWEUKZQOO-UHFFFAOYSA-N 0 0 353.635 7.553 50 30 FKEARN CCCCCCCCCCCCCCCCN(C)C(=O)c1cccc(N)c1 ZINC000101016595 519998712 /nfs/dbraw/zinc/99/87/12/519998712.db2.gz HUJKGCRHUDTEDJ-UHFFFAOYSA-N 0 0 374.613 6.822 50 30 FKEARN CCCCCCCCCCCCOCCCNC(=O)c1ccc(N)cc1 ZINC000101016630 520011989 /nfs/dbraw/zinc/01/19/89/520011989.db2.gz JSVFJIBHZFKIFN-UHFFFAOYSA-N 0 0 362.558 5.326 50 30 FKEARN CCCCCCCCCCCCCCCCCc1nc(CNN)cs1 ZINC000101016647 519999001 /nfs/dbraw/zinc/99/90/01/519999001.db2.gz VBKYHDVBGJIAOK-UHFFFAOYSA-N 0 0 367.647 6.520 50 30 FKEARN CCCCCCCCCCCCCCCCNc1nc(C)cc(Cl)n1 ZINC000101017002 520000650 /nfs/dbraw/zinc/00/06/50/520000650.db2.gz UDKVQYYNBBSKEH-UHFFFAOYSA-N 0 0 368.009 7.332 50 30 FKEARN Cc1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)o1 ZINC000101018333 222259198 /nfs/dbraw/zinc/25/91/98/222259198.db2.gz LXGUBCNEIYITFB-IECUCWQJSA-N 0 0 360.438 5.397 50 30 FKEARN CCCCCCC[C@@H](C)Nc1ccc(N[C@@H](C)CCCCCCC)cc1 ZINC000101018453 571133924 /nfs/dbraw/zinc/13/39/24/571133924.db2.gz VDRDLXVBEGDBKO-SZPZYZBQSA-N 0 0 360.630 8.008 50 30 FKEARN CCCCCCC[C@@H](C)Nc1ccc(N[C@H](C)CCCCCCC)cc1 ZINC000101018454 222258836 /nfs/dbraw/zinc/25/88/36/222258836.db2.gz VDRDLXVBEGDBKO-FGZHOGPDSA-N 0 0 360.630 8.008 50 30 FKEARN CCCCCCC[C@H](C)Nc1ccc(N[C@@H](C)CCCCCCC)cc1 ZINC000101018455 222259100 /nfs/dbraw/zinc/25/91/00/222259100.db2.gz VDRDLXVBEGDBKO-VXKWHMMOSA-N 0 0 360.630 8.008 50 30 FKEARN CCCCCCCCC[C@H](C)Nc1ccc(NCCCOC(C)C)cc1 ZINC000101018578 222259604 /nfs/dbraw/zinc/25/96/04/222259604.db2.gz NKFMSLUUDMMFJL-NRFANRHFSA-N 0 0 362.602 6.855 50 30 FKEARN CCCCCCCCC[C@@H](C)Nc1ccc(NCCCOC(C)C)cc1 ZINC000101018585 222259075 /nfs/dbraw/zinc/25/90/75/222259075.db2.gz NKFMSLUUDMMFJL-OAQYLSRUSA-N 0 0 362.602 6.855 50 30 FKEARN CCCCCCCCCCCCCCCCCCOc1cccc(N)c1 ZINC000101018600 519997340 /nfs/dbraw/zinc/99/73/40/519997340.db2.gz YZJFZNQOZSQLDX-UHFFFAOYSA-N 0 0 361.614 7.909 50 30 FKEARN C=C(Nc1sc2c(c1C#N)CCCC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000101019128 207090097 /nfs/dbraw/zinc/09/00/97/207090097.db2.gz OAPPKJJNZUAEFY-UHFFFAOYSA-N 0 0 374.853 5.055 50 30 FKEARN CCCCCCCCCCCCCC(=O)Oc1cccc2ccccc21 ZINC000101019158 519987445 /nfs/dbraw/zinc/98/74/45/519987445.db2.gz CUOOHTITSRIUFD-UHFFFAOYSA-N 0 0 354.534 7.446 50 30 in-vitro FKEARN CCCCCCCCCCCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000101019988 520014364 /nfs/dbraw/zinc/01/43/64/520014364.db2.gz QJILSKRRMFTLOH-UHFFFAOYSA-N 0 0 355.500 5.289 50 30 FKEARN CCCCCCCCCCCCCCCCCC(=O)OCc1ccco1 ZINC000101020009 519992410 /nfs/dbraw/zinc/99/24/10/519992410.db2.gz LLZYPXWKSIVVJP-UHFFFAOYSA-N 0 0 364.570 7.584 50 30 FKEARN CCCCCCCCCCCC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000101020060 222259006 /nfs/dbraw/zinc/25/90/06/222259006.db2.gz WFGSWHINXMJOMQ-UHFFFAOYSA-N 0 0 352.518 7.583 50 30 FKEARN CCCCCCCCCC(=O)Nc1nc2c(s1)CCc1ccccc1-2 ZINC000101021225 519978203 /nfs/dbraw/zinc/97/82/03/519978203.db2.gz RVLSRQYGINTBKJ-UHFFFAOYSA-N 0 0 356.535 5.988 50 30 FKEARN CC(=O)Nc1ccc(/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1 ZINC000101030877 222261179 /nfs/dbraw/zinc/26/11/79/222261179.db2.gz VYYCHCVRCXNTGT-MFKUBSTISA-N 0 0 367.452 5.399 50 30 FKEARN FC(F)(Cl)C(F)(F)C(F)(F)C(F)(F)C(Cl)(Cl)Cl ZINC000101041250 209220231 /nfs/dbraw/zinc/22/02/31/209220231.db2.gz JVXCFAWCAAIRHK-UHFFFAOYSA-N 0 0 353.851 5.094 50 30 FKEARN Cc1ccc(/N=C/c2ccc(-c3ccc(Br)cc3)o2)c(O)c1 ZINC000101084470 570510422 /nfs/dbraw/zinc/51/04/22/570510422.db2.gz XCOPWPNHAXXDES-RGVLZGJSSA-N 0 0 356.219 5.474 50 30 FKEARN COc1ccc(NC2=C(c3ccccc3)C(=O)c3ccccc32)cc1Cl ZINC000101091569 222262261 /nfs/dbraw/zinc/26/22/61/222262261.db2.gz IHSLLCPRCFFVGN-UHFFFAOYSA-N 0 0 361.828 5.525 50 30 FKEARN COc1ccc(C2=C(Nc3ccc(C)c(C)c3)c3ccccc3C2=O)cc1 ZINC000101092340 209220873 /nfs/dbraw/zinc/22/08/73/209220873.db2.gz MBJFFRFIVHVUPO-UHFFFAOYSA-N 0 0 355.437 5.489 50 30 FKEARN COc1ccc(Cl)cc1NC1=C(c2ccccc2)C(=O)c2ccccc21 ZINC000101093556 209220692 /nfs/dbraw/zinc/22/06/92/209220692.db2.gz CZROSKCVKGPUBB-UHFFFAOYSA-N 0 0 361.828 5.525 50 30 FKEARN COc1ccc(C2=C(Nc3cc(C)ccc3OC)c3ccccc3C2=O)cc1 ZINC000101093894 222261831 /nfs/dbraw/zinc/26/18/31/222261831.db2.gz XMMZOLQOMOAFAG-UHFFFAOYSA-N 0 0 371.436 5.189 50 30 FKEARN CCCCCCCCCCC[C@@H](C)NC(=O)/C=C/c1ccc([N+](=O)[O-])o1 ZINC000101130904 520017657 /nfs/dbraw/zinc/01/76/57/520017657.db2.gz REXJLHNUAIXZMH-LCJXNMAOSA-N 0 0 364.486 5.627 50 30 FKEARN CCCCCCCCCCC[C@H](C)NC(=O)/C=C/c1ccc([N+](=O)[O-])o1 ZINC000101130907 520017996 /nfs/dbraw/zinc/01/79/96/520017996.db2.gz REXJLHNUAIXZMH-VOGRQWBCSA-N 0 0 364.486 5.627 50 30 FKEARN C=CCC[C@@H]1C(C(=O)OC)=C(O)C[C@H]2CC[C@H](C)[C@@H](CCC(=C)C)[C@@]21C ZINC000101141099 571134153 /nfs/dbraw/zinc/13/41/53/571134153.db2.gz WRLVJEYWYFMUQO-YULQKLFDSA-N 0 0 360.538 5.983 50 30 FKEARN CC(=CC(=O)c1ccccc1)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000101154130 518431977 /nfs/dbraw/zinc/43/19/77/518431977.db2.gz QQXYNCMGEMPKAC-FOCLMDBBSA-N 0 0 363.844 6.331 50 30 FKEARN CCCCCCCCCCCCCCNS(=O)(=O)c1ccc(N)cc1 ZINC000101172448 520005435 /nfs/dbraw/zinc/00/54/35/520005435.db2.gz NHWQHAUDYCYZMY-UHFFFAOYSA-N 0 0 368.587 5.248 50 30 FKEARN CCCCCCCCCCCCCNC(=O)CSc1nnc(C)s1 ZINC000101323292 520007395 /nfs/dbraw/zinc/00/73/95/520007395.db2.gz JXAWHZWBAHAICC-UHFFFAOYSA-N 0 0 371.616 5.366 50 30 FKEARN C=CCc1c(C)c(C#N)c2[nH]c3ccccc3n2/c1=N/c1ccc(Cl)cc1 ZINC000101328238 570818565 /nfs/dbraw/zinc/81/85/65/570818565.db2.gz UQJVLIYONMGDHE-NJNXFGOHSA-N 0 0 372.859 5.215 50 30 FKEARN C/C(=N/O)c1c(C)oc2ccc(OCc3c(Cl)cccc3Cl)cc21 ZINC000101347707 209224223 /nfs/dbraw/zinc/22/42/23/209224223.db2.gz BWZLAUOBDIMQCC-FBHDLOMBSA-N 0 0 364.228 5.825 50 30 FKEARN C=CCn1c2ccccc2nc1/N=C/c1ccc(OCc2ccccc2)cc1 ZINC000101350385 570819395 /nfs/dbraw/zinc/81/93/95/570819395.db2.gz AIROOPYHEIXWQC-KOEQRZSOSA-N 0 0 367.452 5.552 50 30 FKEARN CCCCCCCCOc1ccc(-c2nnc(-c3ccc(F)cc3)o2)cc1 ZINC000101351311 570818561 /nfs/dbraw/zinc/81/85/61/570818561.db2.gz QMYRASASRSRYQH-UHFFFAOYSA-N 0 0 368.452 6.282 50 30 FKEARN Cc1ccc2oc(=O)c(CC(=O)c3ccc(C4CCCCC4)cc3)nc2c1 ZINC000101355362 526170988 /nfs/dbraw/zinc/17/09/88/526170988.db2.gz ZZSUIFDQXOOZCB-ZHZULCJRSA-N 0 0 361.441 5.140 50 30 FKEARN CCCCCCCCCCCCCCCCCC(=O)c1ccc(O)c(C)c1 ZINC000101357529 519991858 /nfs/dbraw/zinc/99/18/58/519991858.db2.gz UOVAQDKLAVJVFV-UHFFFAOYSA-N 0 0 374.609 8.145 50 30 FKEARN CCCCCCCCCCCCCCCCCC(=O)Oc1ccc(C)cc1 ZINC000101360186 519992701 /nfs/dbraw/zinc/99/27/01/519992701.db2.gz NOMZRSZLCDDJBP-UHFFFAOYSA-N 0 0 374.609 8.162 50 30 FKEARN CCCCCCCCCCCCCCCCCC(=O)O[C@H](C)C(=O)OC ZINC000101360622 222272171 /nfs/dbraw/zinc/27/21/71/222272171.db2.gz RUQRVWDPBZDRBU-HXUWFJFHSA-N 0 0 370.574 6.353 50 30 FKEARN CCCCCCCCCCCCCCCCCC(=O)O[C@@H](C)C(=O)OC ZINC000101360624 222271692 /nfs/dbraw/zinc/27/16/92/222271692.db2.gz RUQRVWDPBZDRBU-FQEVSTJZSA-N 0 0 370.574 6.353 50 30 FKEARN O=C(C=CNc1cccc(NC=CC(=O)c2ccccc2)c1)c1ccccc1 ZINC000101363025 527652317 /nfs/dbraw/zinc/65/23/17/527652317.db2.gz MTAMMCJPXBEYDR-RYOQUFEFSA-N 0 0 368.436 5.304 50 30 FKEARN COc1ccc(C2=C(Nc3ccc(C)cc3C)c3ccccc3C2=O)cc1 ZINC000101363363 209225649 /nfs/dbraw/zinc/22/56/49/209225649.db2.gz VAXZKGSUPOFLEE-UHFFFAOYSA-N 0 0 355.437 5.489 50 30 FKEARN O=C1c2ccccc2C(Nc2ccccc2)=C1c1ccc(C(F)(F)F)cc1 ZINC000101364010 527131708 /nfs/dbraw/zinc/13/17/08/527131708.db2.gz FGEZNFPGBOANCJ-UHFFFAOYSA-N 0 0 365.354 5.882 50 30 FKEARN CCCCCCCCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000101380420 519973617 /nfs/dbraw/zinc/97/36/17/519973617.db2.gz DRLCYSJWBBDTOV-UHFFFAOYSA-N 0 0 361.467 5.407 50 30 FKEARN CCCCCCCc1ccc(-c2ccc(C#N)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000101431166 209226603 /nfs/dbraw/zinc/22/66/03/209226603.db2.gz DDOWMPPECUXOQT-UHFFFAOYSA-N 0 0 367.405 5.555 50 30 FKEARN CCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCC ZINC000101446099 222275648 /nfs/dbraw/zinc/27/56/48/222275648.db2.gz DLZBUNUDESZERL-UHFFFAOYSA-N 0 0 370.574 6.354 50 30 FKEARN O=C(C=CNc1ccc(F)cc1Br)c1ccc(Cl)cc1 ZINC000101456993 570820737 /nfs/dbraw/zinc/82/07/37/570820737.db2.gz LLNFBRGRPUXKBI-FPLPWBNLSA-N 0 0 354.606 5.050 50 30 FKEARN CCCCCCCc1c([N+](=O)[O-])cc(-c2ccc(C#N)cc2)cc1[N+](=O)[O-] ZINC000101465017 209226082 /nfs/dbraw/zinc/22/60/82/209226082.db2.gz YPGPEXZNSCAKAA-UHFFFAOYSA-N 0 0 367.405 5.555 50 30 FKEARN CCc1ccc(C(=O)C=CNc2ccc(Br)c(Cl)c2)cc1 ZINC000101484308 570820836 /nfs/dbraw/zinc/82/08/36/570820836.db2.gz FFBKFFJHAYZVKM-KTKRTIGZSA-N 0 0 364.670 5.473 50 30 FKEARN CCCCCCCCCCCCCCCCCNc1ccc(OC)cc1 ZINC000101509215 519998328 /nfs/dbraw/zinc/99/83/28/519998328.db2.gz BHLSCCZLACIGFJ-UHFFFAOYSA-N 0 0 361.614 7.979 50 30 FKEARN CCCCCCCCCCCCCCCCCOc1ccc(OC)cc1 ZINC000101509217 519998495 /nfs/dbraw/zinc/99/84/95/519998495.db2.gz KMUCLRCDZVBXMF-UHFFFAOYSA-N 0 0 362.598 7.945 50 30 FKEARN O=[N+]([O-])c1cccc(/C=N/c2ccc(/N=C/c3cccc([N+](=O)[O-])c3)cc2)c1 ZINC000101510268 571134180 /nfs/dbraw/zinc/13/41/80/571134180.db2.gz NIGSPDMFTXJDPP-JFMUQQRKSA-N 0 0 374.356 5.004 50 30 FKEARN CCCCCCCCCc1ccc(-c2nnc(-c3ccccc3O)o2)cc1 ZINC000101522761 222278507 /nfs/dbraw/zinc/27/85/07/222278507.db2.gz NRAFPOXZZFVICA-UHFFFAOYSA-N 0 0 364.489 6.402 50 30 FKEARN CCCCCCCCSC1=NC2(CCCCC2)[C@@H]2CCCC[C@@H]2O1 ZINC000101528412 520045099 /nfs/dbraw/zinc/04/50/99/520045099.db2.gz DQKVAPVRKSJLIZ-MOPGFXCFSA-N 0 0 351.600 6.728 50 30 FKEARN CCCCCCCCSC1=NC2(CCCCC2)[C@H]2CCCC[C@@H]2O1 ZINC000101528417 520046207 /nfs/dbraw/zinc/04/62/07/520046207.db2.gz DQKVAPVRKSJLIZ-OALUTQOASA-N 0 0 351.600 6.728 50 30 FKEARN CCCCCCCCSC1=NC2(CCCCC2)[C@@H]2CCCC[C@H]2O1 ZINC000101528423 520046495 /nfs/dbraw/zinc/04/64/95/520046495.db2.gz DQKVAPVRKSJLIZ-RTBURBONSA-N 0 0 351.600 6.728 50 30 FKEARN CCCCCCCCSC1=NC2(CCCCC2)[C@H]2CCCC[C@H]2O1 ZINC000101528429 520046179 /nfs/dbraw/zinc/04/61/79/520046179.db2.gz DQKVAPVRKSJLIZ-RBUKOAKNSA-N 0 0 351.600 6.728 50 30 FKEARN CCCCCCCOc1ccc(/C=C2/C(=O)ON=C2c2ccccc2)cc1 ZINC000101618644 206228388 /nfs/dbraw/zinc/22/83/88/206228388.db2.gz DIMFSOKQHMAJOF-HEHNFIMWSA-N 0 0 363.457 5.380 50 30 FKEARN CCOc1ccc2ccccc2c1/C=N/c1ccc(Br)cc1 ZINC000101667622 570512952 /nfs/dbraw/zinc/51/29/52/570512952.db2.gz UXSCYXYFTRPEJO-FYJGNVAPSA-N 0 0 354.247 5.752 50 30 FKEARN CCCCCCCCCCCCC(=O)CCCC(=O)NCCCCCC ZINC000101674653 222280334 /nfs/dbraw/zinc/28/03/34/222280334.db2.gz OPEGEMVPXMMRHJ-UHFFFAOYSA-N 0 0 367.618 6.733 50 30 FKEARN CCCCCCCCCCCCC(=O)CCCC(=O)Nc1cccc(C)c1 ZINC000101674659 519986171 /nfs/dbraw/zinc/98/61/71/519986171.db2.gz VNBHMIBKMFXSMR-UHFFFAOYSA-N 0 0 373.581 6.984 50 30 FKEARN CCCCCCCCCC(=O)O[C@H](C)COC(=O)CCCCCCCC ZINC000101683488 222280355 /nfs/dbraw/zinc/28/03/55/222280355.db2.gz BBPQTYSGBCCALB-HXUWFJFHSA-N 0 0 370.574 6.353 50 30 FKEARN CCCCCCCCCC(=O)O[C@@H](C)COC(=O)CCCCCCCC ZINC000101683493 209229792 /nfs/dbraw/zinc/22/97/92/209229792.db2.gz BBPQTYSGBCCALB-FQEVSTJZSA-N 0 0 370.574 6.353 50 30 FKEARN COc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)/C2=N\c1cccc(Cl)c1 ZINC000101763861 222284179 /nfs/dbraw/zinc/28/41/79/222284179.db2.gz ARNFSIIHKUOGSO-NKFKGCMQSA-N 0 0 366.848 5.012 50 30 FKEARN C[C@@H]1CC(C)(C)N2C(=O)/C(=N\c3cccc(C(F)(F)F)c3)c3cccc1c32 ZINC000101763912 222282968 /nfs/dbraw/zinc/28/29/68/222282968.db2.gz IYLMRCDHXHHVKN-MJDRSGEXSA-N 0 0 372.390 5.459 50 30 FKEARN C[C@H]1CC(C)(C)N2C(=O)/C(=N\c3cccc(C(F)(F)F)c3)c3cccc1c32 ZINC000101763916 222283855 /nfs/dbraw/zinc/28/38/55/222283855.db2.gz IYLMRCDHXHHVKN-MGHKLXNESA-N 0 0 372.390 5.459 50 30 FKEARN C[C@@H]1CC(C)(C)N2C(=O)/C(=N\c3ccc(Cl)c(F)c3)c3cccc1c32 ZINC000101763919 570513301 /nfs/dbraw/zinc/51/33/01/570513301.db2.gz KMDCRCLFKWVYFA-VHEFTKLXSA-N 0 0 356.828 5.232 50 30 FKEARN C[C@H]1CC(C)(C)N2C(=O)/C(=N\c3ccc(Cl)c(F)c3)c3cccc1c32 ZINC000101763926 222284481 /nfs/dbraw/zinc/28/44/81/222284481.db2.gz KMDCRCLFKWVYFA-MHPGSYOZSA-N 0 0 356.828 5.232 50 30 FKEARN CCOc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)/C2=N\c1cc(C)cc(C)c1 ZINC000101763963 222284611 /nfs/dbraw/zinc/28/46/11/222284611.db2.gz FHSIHXZKKNDJJE-DAFNUICNSA-N 0 0 374.484 5.365 50 30 FKEARN CCOc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)/C2=N\c1ccc(C)cc1 ZINC000101764072 222283933 /nfs/dbraw/zinc/28/39/33/222283933.db2.gz KGEXZXXHPOCCAN-GFMRDNFCSA-N 0 0 360.457 5.057 50 30 FKEARN CCOc1ccc(/N=C2/c3cc(C)cc4c3N(C2=O)C(C)(C)C[C@@H]4C)cc1 ZINC000101764133 209231075 /nfs/dbraw/zinc/23/10/75/209231075.db2.gz XBNRUBQIOOKRAN-FBMGRCJOSA-N 0 0 362.473 5.147 50 30 FKEARN CCOc1ccc(/N=C2/c3cc(C)cc4c3N(C2=O)C(C)(C)C[C@H]4C)cc1 ZINC000101764138 222283973 /nfs/dbraw/zinc/28/39/73/222283973.db2.gz XBNRUBQIOOKRAN-SXDATVTGSA-N 0 0 362.473 5.147 50 30 FKEARN Cc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)/C2=N\c1ccc(F)c(Cl)c1 ZINC000101764219 570513295 /nfs/dbraw/zinc/51/32/95/570513295.db2.gz ATEAXQWGQXEPSB-MOHJPFBDSA-N 0 0 368.839 5.450 50 30 FKEARN CCOc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)/C2=N\c1ccc(CC)cc1 ZINC000101764442 222284470 /nfs/dbraw/zinc/28/44/70/222284470.db2.gz ZQMPWALJBXRTIA-DAFNUICNSA-N 0 0 374.484 5.311 50 30 FKEARN CCCCc1ccc(/N=C2/c3cc(C)cc4c3N(C2=O)C(C)(C)C=C4C)cc1 ZINC000101764467 205966734 /nfs/dbraw/zinc/96/67/34/205966734.db2.gz HSKPASDPKHSXJI-ROMGYVFFSA-N 0 0 372.512 6.001 50 30 FKEARN Cc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)/C2=N\c1ccc(C(C)C)cc1 ZINC000101764534 209230184 /nfs/dbraw/zinc/23/01/84/209230184.db2.gz VPGFZYDJXCRZTG-DAFNUICNSA-N 0 0 358.485 5.781 50 30 FKEARN CCOc1ccc(/N=C2/c3cc(C)cc4c3N(C2=O)C(C)(C)C=C4C)cc1 ZINC000101764550 209230868 /nfs/dbraw/zinc/23/08/68/209230868.db2.gz HUOASQACNLPLFN-GFMRDNFCSA-N 0 0 360.457 5.057 50 30 FKEARN CCc1ccc(/N=C2/c3cc(OC)cc4c3N(C2=O)C(C)(C)C[C@@H]4C)cc1 ZINC000101764639 209230689 /nfs/dbraw/zinc/23/06/89/209230689.db2.gz BDQLENSBJHOIPB-PNRGMXNKSA-N 0 0 362.473 5.011 50 30 FKEARN CCc1ccc(/N=C2/c3cc(OC)cc4c3N(C2=O)C(C)(C)C[C@H]4C)cc1 ZINC000101764647 222283793 /nfs/dbraw/zinc/28/37/93/222283793.db2.gz BDQLENSBJHOIPB-ITCYTGBBSA-N 0 0 362.473 5.011 50 30 FKEARN CCOc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N\c1ccc(C)cc1 ZINC000101764722 209231265 /nfs/dbraw/zinc/23/12/65/209231265.db2.gz FHOWOZHHFHHLMD-FBMGRCJOSA-N 0 0 362.473 5.147 50 30 FKEARN CCOc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N\c1ccc(C)cc1 ZINC000101764726 205967433 /nfs/dbraw/zinc/96/74/33/205967433.db2.gz FHOWOZHHFHHLMD-SXDATVTGSA-N 0 0 362.473 5.147 50 30 FKEARN CCOc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N\c1cccc(C)c1 ZINC000101764807 222284327 /nfs/dbraw/zinc/28/43/27/222284327.db2.gz YZLXQBSJZDWDMR-FBMGRCJOSA-N 0 0 362.473 5.147 50 30 FKEARN CCOc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N\c1cccc(C)c1 ZINC000101764812 222283101 /nfs/dbraw/zinc/28/31/01/222283101.db2.gz YZLXQBSJZDWDMR-SXDATVTGSA-N 0 0 362.473 5.147 50 30 FKEARN CC1=CC(C)(C)N2C(=O)/C(=N\c3ccc(Cl)c(Cl)c3)c3cccc1c32 ZINC000101778363 222284477 /nfs/dbraw/zinc/28/44/77/222284477.db2.gz VTVYCYJTSJFFED-QJOMJCCJSA-N 0 0 371.267 5.656 50 30 FKEARN COc1ccc(Br)cc1/C=N/Cc1ccc(Cl)cc1Cl ZINC000101818245 222285735 /nfs/dbraw/zinc/28/57/35/222285735.db2.gz BFMXYDKRKXWGFD-DJKKODMXSA-N 0 0 373.077 5.384 50 30 FKEARN CCCCCCCCCCCCCCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000102060562 519987943 /nfs/dbraw/zinc/98/79/43/519987943.db2.gz UAFQGBWEOBRHAU-UHFFFAOYSA-N 0 0 362.514 6.625 50 30 FKEARN CCCCCCCCCCCCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000102064174 520009919 /nfs/dbraw/zinc/00/99/19/520009919.db2.gz UIYJBORUBKIXID-UHFFFAOYSA-N 0 0 368.905 5.899 50 30 FKEARN CCCCCCCCCCCCNC(=O)c1ccc2ccccc2c1O ZINC000102071233 520009331 /nfs/dbraw/zinc/00/93/31/520009331.db2.gz ICBKTKTWBGPHAY-UHFFFAOYSA-N 0 0 355.522 6.196 50 30 FKEARN CCN1c2ccccc2SC1=C1SC(=S)C(c2ccccc2)=C1O ZINC000102131253 222289108 /nfs/dbraw/zinc/28/91/08/222289108.db2.gz RGDITFBWNHNVOR-DVEDPGPFSA-N 0 0 369.536 5.215 50 30 FKEARN CCN1c2ccccc2SC1=C1SC(=S)C(c2ccccc2)=C1O ZINC000102131259 570827190 /nfs/dbraw/zinc/82/71/90/570827190.db2.gz RGDITFBWNHNVOR-BQASMSSTSA-N 0 0 369.536 5.215 50 30 FKEARN CCCCCCCCP(=O)(CCCCCCCC)c1ccccc1 ZINC000102133802 570827315 /nfs/dbraw/zinc/82/73/15/570827315.db2.gz FYNJJZYUEAWTTN-UHFFFAOYSA-N 0 0 350.527 7.396 50 30 FKEARN CCOP(=O)(OCC)[C@H](/N=C/c1ccc(OC)cc1)c1ccccc1 ZINC000102232867 209492223 /nfs/dbraw/zinc/49/22/23/209492223.db2.gz PZMKKTCBUONWCW-AZGFIHASSA-N 0 0 361.378 5.079 50 30 FKEARN CCOP(=O)(OCC)[C@@H](/N=C/c1ccc(OC)cc1)c1ccccc1 ZINC000102232878 222292832 /nfs/dbraw/zinc/29/28/32/222292832.db2.gz PZMKKTCBUONWCW-NGYXKBBWSA-N 0 0 361.378 5.079 50 30 FKEARN CC(C)(C)c1ccc(Cn2c3ccccc3nc2/N=C/c2cccs2)cc1 ZINC000102296935 570829759 /nfs/dbraw/zinc/82/97/59/570829759.db2.gz BXYAZHSYKXAJGP-BUVRLJJBSA-N 0 0 373.525 6.194 50 30 FKEARN CCCCCCCCCCCc1ccc(C=NNc2ccccc2)cc1 ZINC000102297990 570514855 /nfs/dbraw/zinc/51/48/55/570514855.db2.gz MPVBIMWFWRARQZ-NJNXFGOHSA-N 0 0 350.550 7.206 50 30 FKEARN Cl/C(=N\c1ccccc1)C(Cl)(Cl)/C(Cl)=N/c1ccccc1 ZINC000102300675 570514878 /nfs/dbraw/zinc/51/48/78/570514878.db2.gz IOQLAUGPKPJPDF-NMGXZBPKSA-N 0 0 360.071 6.098 50 30 FKEARN C(C=[NH+][N-]c1ccccc1)=Nc1ccccc1N=CC=[NH+][N-]c1ccccc1 ZINC000102311115 570514946 /nfs/dbraw/zinc/51/49/46/570514946.db2.gz FSGMARCBYHKFAU-NAIXKMAZSA-N 0 0 368.444 5.287 50 30 FKEARN CCCCCCCCCCOc1ccc(NN=C2C=CC(=O)C=C2)cc1 ZINC000102313724 571134133 /nfs/dbraw/zinc/13/41/33/571134133.db2.gz RTBATSPABCITAY-WCWDXBQESA-N 0 0 354.494 7.327 50 30 FKEARN CCCCCCCCCCCCCCC/C=C/c1ccc(N(C)C)cc1 ZINC000102314639 571134156 /nfs/dbraw/zinc/13/41/56/571134156.db2.gz MOTSTBWSVIXRBR-VHEBQXMUSA-N 0 0 357.626 8.247 50 30 FKEARN CC(=O)/C(Cl)=C(Cl)/C(Cl)=C(\Cl)C(Cl)=C(Cl)Cl ZINC000102315157 222294026 /nfs/dbraw/zinc/29/40/26/222294026.db2.gz RQIHMGHAEGMIAI-VNKDHWASSA-N 0 0 363.282 5.839 50 30 FKEARN CC(=O)C1=C(C)N=C2c3ccccc3C(=O)C2[C@H]1c1ccc(C(C)C)cc1 ZINC000102402137 222295081 /nfs/dbraw/zinc/29/50/81/222295081.db2.gz MYIOROJMYCPPPR-NRFANRHFSA-N 0 0 357.453 5.542 50 30 FKEARN CC(=O)C1=C(C)N=C2c3ccccc3C(=O)C2[C@@H]1c1ccc(C(C)C)cc1 ZINC000102402140 570831281 /nfs/dbraw/zinc/83/12/81/570831281.db2.gz MYIOROJMYCPPPR-OAQYLSRUSA-N 0 0 357.453 5.542 50 30 FKEARN O=C(Nc1cccc(/N=C/c2ccc(Cl)cc2)c1)c1cc2ccccc2o1 ZINC000102417221 209235276 /nfs/dbraw/zinc/23/52/76/209235276.db2.gz YURHZCCKYVAHOV-ZVHZXABRSA-N 0 0 374.827 6.089 50 30 FKEARN O=C(Nc1ccc(/N=C/c2ccc(Cl)cc2)cc1)c1cc2ccccc2o1 ZINC000102417259 570515226 /nfs/dbraw/zinc/51/52/26/570515226.db2.gz CEMGCKIATPNIOO-ZVHZXABRSA-N 0 0 374.827 6.089 50 30 FKEARN O=C(Nc1ccc(/N=C/c2ccccc2O)cc1)c1cc2ccccc2o1 ZINC000102417274 570515279 /nfs/dbraw/zinc/51/52/79/570515279.db2.gz BWOUCZFNNKZPCO-OEAKJJBVSA-N 0 0 356.381 5.141 50 30 FKEARN O=C(Nc1ccc(/N=C/c2ccc(Cl)cc2)cc1Cl)c1ccco1 ZINC000102417331 222297143 /nfs/dbraw/zinc/29/71/43/222297143.db2.gz CFONDWCHJACROF-SRZZPIQSSA-N 0 0 359.212 5.589 50 30 FKEARN Cc1cccc(-c2nc3ccc(/N=C/c4cc([N+](=O)[O-])ccc4[O-])cc3o2)c1 ZINC000102417516 222296342 /nfs/dbraw/zinc/29/63/42/222296342.db2.gz ORLQEFLTAFFZHE-WSDLNYQXSA-N 0 0 373.368 5.168 50 30 FKEARN Oc1ccc2ccccc2c1/C=N/c1ccc2nc(-c3ccccc3)oc2c1 ZINC000102419312 222296324 /nfs/dbraw/zinc/29/63/24/222296324.db2.gz RYZGVLBQYNWOSF-MFKUBSTISA-N 0 0 364.404 6.104 50 30 FKEARN CCOc1cccc(/C=N/c2ccc3nc(-c4ccccc4)oc3c2)c1O ZINC000102419327 222296124 /nfs/dbraw/zinc/29/61/24/222296124.db2.gz GLABGUPYMCRQQS-OEAKJJBVSA-N 0 0 358.397 5.350 50 30 FKEARN COc1cccc(/C=N/c2ccc3nc(-c4cccc(C)c4)oc3c2)c1O ZINC000102419330 222297040 /nfs/dbraw/zinc/29/70/40/222297040.db2.gz IERNENHACMNSJG-YDZHTSKRSA-N 0 0 358.397 5.268 50 30 FKEARN CCOc1cccc(/C=N/c2ccc3nc(-c4cccc(C)c4)oc3c2)c1O ZINC000102419334 570515186 /nfs/dbraw/zinc/51/51/86/570515186.db2.gz SFABAYCRZUEPHG-ZVHZXABRSA-N 0 0 372.424 5.658 50 30 FKEARN Cc1cc(/N=C/c2c(O)ccc3ccccc32)ccc1NC(=O)c1ccco1 ZINC000102422482 570515216 /nfs/dbraw/zinc/51/52/16/570515216.db2.gz HWWZHJGZSSHKPU-ZVHZXABRSA-N 0 0 370.408 5.450 50 30 FKEARN COc1cc(Br)ccc1/N=C/c1c(O)ccc2ccccc21 ZINC000102423441 222296368 /nfs/dbraw/zinc/29/63/68/222296368.db2.gz HNVZXCUNJOOXCH-RGVLZGJSSA-N 0 0 356.219 5.067 50 30 FKEARN Cc1ccc2sc(-c3ccc(NC4=CC(=O)CC(C)(C)C4)cc3)nc2c1 ZINC000102430536 570832075 /nfs/dbraw/zinc/83/20/75/570832075.db2.gz ZOGPDJXUMCWFAX-HAVVHWLPSA-N 0 0 362.498 6.606 50 30 FKEARN Cc1ccc2sc(-c3ccc(NC4=CC(=O)CC(C)(C)C4)cc3)nc2c1 ZINC000102430538 222296609 /nfs/dbraw/zinc/29/66/09/222296609.db2.gz ZOGPDJXUMCWFAX-QJOMJCCJSA-N 0 0 362.498 6.606 50 30 FKEARN CCCCCCCNc1nc(-c2ccc(C)cc2)cc(C(F)(F)F)n1 ZINC000102448159 222296826 /nfs/dbraw/zinc/29/68/26/222296826.db2.gz PJRLOLRYIKFBRN-UHFFFAOYSA-N 0 0 351.416 5.853 50 30 FKEARN COc1ccc(/N=C/c2cc(Cl)c3ccc(Cl)cc3n2)cc1OC ZINC000102457800 570515456 /nfs/dbraw/zinc/51/54/56/570515456.db2.gz AYAVTBHSYOEXDL-UFFVCSGVSA-N 0 0 361.228 5.309 50 30 FKEARN CC1=C(c2ccccc2)[C@@]2(c3ccccc3)[C@H]3C=C[C@H]([C@H]4CC[C@@H]43)[C@]2(C)C1=O ZINC000102491183 570515503 /nfs/dbraw/zinc/51/55/03/570515503.db2.gz WZOOUDLTRAKAHN-QRRZYIILSA-N 0 0 366.504 5.829 50 30 FKEARN Cc1c/c(=N\c2ccc(Cl)c(Cl)c2)n2c3ccccc3[nH]c2c1C#N ZINC000102491715 222298216 /nfs/dbraw/zinc/29/82/16/222298216.db2.gz RUZQLFOQKNCFPD-PTGBLXJZSA-N 0 0 367.239 5.140 50 30 FKEARN CCCCc1ccc(/N=c2\cc(C)c(C#N)c3[nH]c4ccccc4n32)cc1 ZINC000102491782 209235215 /nfs/dbraw/zinc/23/52/15/209235215.db2.gz ZMCSTOXAMCISAU-YYDJUVGSSA-N 0 0 354.457 5.176 50 30 FKEARN CCCCCCCC[NH2+]Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000102560768 222299384 /nfs/dbraw/zinc/29/93/84/222299384.db2.gz JEAWDOMPBGCOII-UHFFFAOYSA-N 0 0 354.321 6.704 50 30 FKEARN CCCCCCCC[NH2+]Cc1cccc(OC)c1OCc1ccc(F)cc1 ZINC000102562027 222299684 /nfs/dbraw/zinc/29/96/84/222299684.db2.gz BXKLNTHMYBONQB-UHFFFAOYSA-N 0 0 373.512 5.863 50 30 FKEARN CCCCCCCC[NH2+]Cc1cccc(OC)c1OCc1ccccc1F ZINC000102562030 222300070 /nfs/dbraw/zinc/30/00/70/222300070.db2.gz ZVKYOEDGABGXDA-UHFFFAOYSA-N 0 0 373.512 5.863 50 30 FKEARN CCCCCCC[NH2+]Cc1cccc(OC)c1OCc1ccc(F)cc1 ZINC000102568284 222299909 /nfs/dbraw/zinc/29/99/09/222299909.db2.gz UAQIWNIUMNYLGK-UHFFFAOYSA-N 0 0 359.485 5.473 50 30 FKEARN CCCCCCC[NH2+]Cc1cccc(OC)c1OCc1ccccc1F ZINC000102568286 222299500 /nfs/dbraw/zinc/29/95/00/222299500.db2.gz RHKSDIZJGDFKAV-UHFFFAOYSA-N 0 0 359.485 5.473 50 30 FKEARN Cc1cccc([C@H]2C3=C(NC4=C2C(=O)CC(C)(C)C4)c2ccccc2C3=O)c1 ZINC000102667198 205977075 /nfs/dbraw/zinc/97/70/75/205977075.db2.gz UMZUPSIXMZIYFA-HXUWFJFHSA-N 0 0 369.464 5.773 50 30 FKEARN Cc1cccc([C@@H]2C3=C(NC4=C2C(=O)CC(C)(C)C4)c2ccccc2C3=O)c1 ZINC000102667200 222304053 /nfs/dbraw/zinc/30/40/53/222304053.db2.gz UMZUPSIXMZIYFA-FQEVSTJZSA-N 0 0 369.464 5.773 50 30 FKEARN CCCc1c/c(=N\c2ccc(C(C)C)cc2)n2c3ccccc3[nH]c2c1C#N ZINC000102800662 222308784 /nfs/dbraw/zinc/30/87/84/222308784.db2.gz FFIQPKBXYORMRI-WNAAXNPUSA-N 0 0 368.484 5.601 50 30 FKEARN CCCCCCCCCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1Cl ZINC000102819740 520027949 /nfs/dbraw/zinc/02/79/49/520027949.db2.gz AZPYPFOPLUFRSB-HNNXBMFYSA-N 0 0 373.884 5.184 50 30 FKEARN CCCCCCCCCOC(=O)[C@H](C#N)c1nc2ccccc2nc1Cl ZINC000102819743 520029242 /nfs/dbraw/zinc/02/92/42/520029242.db2.gz AZPYPFOPLUFRSB-OAHLLOKOSA-N 0 0 373.884 5.184 50 30 FKEARN Clc1ccccc1-c1nn(-c2ccccc2)cc1/C=N/Cc1ccccc1 ZINC000102849329 526985674 /nfs/dbraw/zinc/98/56/74/526985674.db2.gz AWXKVCQOZQCBNC-PCLIKHOPSA-N 0 0 371.871 5.812 50 30 FKEARN N#Cc1c2[nH]c3ccccc3n2/c(=N/c2ccc(Cl)cc2)c2c1CCCC2 ZINC000102858234 209242378 /nfs/dbraw/zinc/24/23/78/209242378.db2.gz VKPGKGVIXMGDRK-NJNXFGOHSA-N 0 0 372.859 5.057 50 30 FKEARN CCCCCCCc1c(C#N)c(N)nc(SCc2ccccc2)c1C#N ZINC000102909060 209244335 /nfs/dbraw/zinc/24/43/35/209244335.db2.gz HGFJUGXBBZQUNT-UHFFFAOYSA-N 0 0 364.518 5.212 50 30 FKEARN C=CCn1c(-c2ccc(C)cc2)c(C)s/c1=N\c1ccc(OC)cc1 ZINC000102916161 570841587 /nfs/dbraw/zinc/84/15/87/570841587.db2.gz BOPRUCAGYSHDRE-DQRAZIAOSA-N 0 0 350.487 5.260 50 30 FKEARN CCCCCCCC(=O)Nc1nc(C)c(-c2nccn2C(F)F)s1 ZINC000102933648 570841708 /nfs/dbraw/zinc/84/17/08/570841708.db2.gz GWJWDCKDGWIPOO-UHFFFAOYSA-N 0 0 356.442 5.009 50 30 FKEARN CCC1=C[C@H](c2cccc(Oc3ccccc3)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000102942006 206231913 /nfs/dbraw/zinc/23/19/13/206231913.db2.gz MNGHRFLADCZLEV-OAQYLSRUSA-N 0 0 373.496 6.103 50 30 FKEARN CCC1=C[C@@H](c2cccc(Oc3ccccc3)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000102942010 206231488 /nfs/dbraw/zinc/23/14/88/206231488.db2.gz MNGHRFLADCZLEV-NRFANRHFSA-N 0 0 373.496 6.103 50 30 FKEARN Cc1ccc2nc(-c3ccc(NC=CC(=O)C(F)(F)F)cc3)sc2c1 ZINC000102945933 209243437 /nfs/dbraw/zinc/24/34/37/209243437.db2.gz PUIIPVFWSAGKRP-CMDGGOBGSA-N 0 0 362.376 5.329 50 30 FKEARN Fc1ccc(-c2nn(-c3ccccc3)cc2/C=N/Cc2ccccc2)cc1 ZINC000102961312 222315284 /nfs/dbraw/zinc/31/52/84/222315284.db2.gz HHSNSLCGVNREIX-PCLIKHOPSA-N 0 0 355.416 5.298 50 30 FKEARN O=C(Nc1cc(F)ccc1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000102968476 222317027 /nfs/dbraw/zinc/31/70/27/222317027.db2.gz NIVPPINJVMFPSV-UHFFFAOYSA-N 0 0 369.211 5.255 50 30 FKEARN CCCCCCCC(=O)Nc1c(Cc2ccccc2)nc2ccc(C)cn21 ZINC000102993295 519963200 /nfs/dbraw/zinc/96/32/00/519963200.db2.gz PDIPUCMOHCARIZ-UHFFFAOYSA-N 0 0 363.505 5.533 50 30 FKEARN CCCCCCCC(=O)Nc1c(-c2ccc(C)cc2)nc2ccc(C)cn21 ZINC000102993301 222318494 /nfs/dbraw/zinc/31/84/94/222318494.db2.gz MYZHQBRTKJNFQK-UHFFFAOYSA-N 0 0 363.505 5.917 50 30 FKEARN CCCCCCCC(=O)Nc1c(-c2ccc(C)o2)nc2ccc(C)cn21 ZINC000102993307 222318260 /nfs/dbraw/zinc/31/82/60/222318260.db2.gz IFQABNHAHAFTOD-UHFFFAOYSA-N 0 0 353.466 5.510 50 30 FKEARN CCCCCCCC(=O)Nc1c(-c2ccccc2C)nc2ccc(C)cn21 ZINC000102993311 519962869 /nfs/dbraw/zinc/96/28/69/519962869.db2.gz QSPBGKPMSLAQPL-UHFFFAOYSA-N 0 0 363.505 5.917 50 30 FKEARN CCCCCCCC(=O)Nc1c(-c2ccccc2F)nc2ccc(C)cn21 ZINC000102993314 222318855 /nfs/dbraw/zinc/31/88/55/222318855.db2.gz JIXCQRRXSAIHAS-UHFFFAOYSA-N 0 0 367.468 5.748 50 30 FKEARN CCCCCCCC(=O)Nc1c(-c2ccc(C)cc2)nc2cc(C)ccn21 ZINC000102993327 222318132 /nfs/dbraw/zinc/31/81/32/222318132.db2.gz MPYCXSFITRHNRS-UHFFFAOYSA-N 0 0 363.505 5.917 50 30 FKEARN CCCCCCCC(=O)Nc1c(-c2ccc(F)cc2)nc2cc(C)ccn21 ZINC000102993333 519963763 /nfs/dbraw/zinc/96/37/63/519963763.db2.gz DWRWUTFRGLXXFN-UHFFFAOYSA-N 0 0 367.468 5.748 50 30 FKEARN CCCCCCCC(=O)Nc1c(-c2cccc(F)c2)nc2cc(C)ccn21 ZINC000102993344 519963927 /nfs/dbraw/zinc/96/39/27/519963927.db2.gz SKCPKMFYHNQECY-UHFFFAOYSA-N 0 0 367.468 5.748 50 30 FKEARN CCCCCCCC(=O)Nc1c(-c2ccccc2C)nc2cc(C)ccn21 ZINC000102993352 519964030 /nfs/dbraw/zinc/96/40/30/519964030.db2.gz XVBMPQLOPNDGEE-UHFFFAOYSA-N 0 0 363.505 5.917 50 30 FKEARN CCCCCCCC(=O)Nc1c(-c2cc(C)cc(C)c2)nc2ccccn21 ZINC000102993360 519963044 /nfs/dbraw/zinc/96/30/44/519963044.db2.gz XGMCHSQQXPFYAP-UHFFFAOYSA-N 0 0 363.505 5.917 50 30 FKEARN CCCCCCCC(=O)Nc1c(-c2cc(F)ccc2F)nc2ccccn21 ZINC000102993362 222317946 /nfs/dbraw/zinc/31/79/46/222317946.db2.gz XPGBWFCVWKKLCL-UHFFFAOYSA-N 0 0 371.431 5.579 50 30 FKEARN CCCCCCCC(=O)Nc1c(-c2ccc(F)c(F)c2)nc2ccccn21 ZINC000102993367 519963019 /nfs/dbraw/zinc/96/30/19/519963019.db2.gz VAOCIKURQKBSNU-UHFFFAOYSA-N 0 0 371.431 5.579 50 30 FKEARN CCCCCCCC(=O)Nc1c(-c2ccc(Cl)cc2)nc2ccccn21 ZINC000102993381 209245186 /nfs/dbraw/zinc/24/51/86/209245186.db2.gz IAEGIXUSXSIXLY-UHFFFAOYSA-N 0 0 369.896 5.954 50 30 FKEARN CCCCCCCC(=O)Nc1c(-c2ccc(F)cc2)nc2ccccn21 ZINC000102993384 222317558 /nfs/dbraw/zinc/31/75/58/222317558.db2.gz YGWBBLLWRWOBOW-UHFFFAOYSA-N 0 0 353.441 5.439 50 30 FKEARN CCCCCCCC(=O)Nc1c(-c2ccc(OC)cc2)nc2ccccn21 ZINC000102993388 209245304 /nfs/dbraw/zinc/24/53/04/209245304.db2.gz PDCQQBYGWZFANB-UHFFFAOYSA-N 0 0 365.477 5.309 50 30 FKEARN CCCCCCCC(=O)Nc1c(-c2cccc(F)c2)nc2ccccn21 ZINC000102993391 222318510 /nfs/dbraw/zinc/31/85/10/222318510.db2.gz YTFQRZQTPMSWQD-UHFFFAOYSA-N 0 0 353.441 5.439 50 30 FKEARN CCCCCCCC(=O)Nc1c(-c2cccc(OC)c2)nc2ccccn21 ZINC000102993394 222318065 /nfs/dbraw/zinc/31/80/65/222318065.db2.gz LRCBKKZVRGDGCU-UHFFFAOYSA-N 0 0 365.477 5.309 50 30 FKEARN CCCCCCCC(=O)Nc1cc(-c2onc3c2CCCC3)ccc1C ZINC000102993413 519963961 /nfs/dbraw/zinc/96/39/61/519963961.db2.gz OUXHRHRDOPEIKU-UHFFFAOYSA-N 0 0 354.494 5.828 50 30 FKEARN CCCCCCCC(=O)Nc1cc(-c2onc3c2CCCC3)ccc1Cl ZINC000102993418 222318376 /nfs/dbraw/zinc/31/83/76/222318376.db2.gz MWEIQXWUDHTHRD-UHFFFAOYSA-N 0 0 374.912 6.173 50 30 FKEARN CCCCCCCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 ZINC000102993457 519963311 /nfs/dbraw/zinc/96/33/11/519963311.db2.gz CDOGNTFYVRAIGX-UHFFFAOYSA-N 0 0 366.509 5.340 50 30 FKEARN CCCCCCCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(OC)cc1 ZINC000102993471 222318107 /nfs/dbraw/zinc/31/81/07/222318107.db2.gz YPIBVXQNRMDCOE-UHFFFAOYSA-N 0 0 371.525 5.477 50 30 FKEARN CCCCCCCC(=O)Nc1cc(C(C)(C)C)nn1-c1cccc(F)c1 ZINC000102993482 222317986 /nfs/dbraw/zinc/31/79/86/222317986.db2.gz JABMRSTYDLOBKK-UHFFFAOYSA-N 0 0 359.489 5.608 50 30 FKEARN CCCCCCCC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000102993495 570842753 /nfs/dbraw/zinc/84/27/53/570842753.db2.gz QSKVPSNUPVOEFZ-UHFFFAOYSA-N 0 0 361.489 5.838 50 30 FKEARN CCCCCCCC(=O)Oc1cc(C(C)C)nn1-c1cccc(Cl)c1 ZINC000102993828 209245516 /nfs/dbraw/zinc/24/55/16/209245516.db2.gz RLPPHWDQDIIETA-UHFFFAOYSA-N 0 0 362.901 5.915 50 30 FKEARN CCCCCCCCC(=O)N1CCS[C@@H]1c1cc(OC)ccc1OC ZINC000102996199 519972521 /nfs/dbraw/zinc/97/25/21/519972521.db2.gz QPJRTZXGALISJT-HXUWFJFHSA-N 0 0 365.539 5.028 50 30 FKEARN CCCCCCCCC(=O)N1CCS[C@H]1c1cc(OC)ccc1OC ZINC000102996203 519973987 /nfs/dbraw/zinc/97/39/87/519973987.db2.gz QPJRTZXGALISJT-FQEVSTJZSA-N 0 0 365.539 5.028 50 30 FKEARN CCCCCCCCC(=O)N1CCn2cccc2[C@@H]1c1cccc(OC)c1 ZINC000102996256 209246029 /nfs/dbraw/zinc/24/60/29/209246029.db2.gz BHYIZTHNGIFPMW-QHCPKHFHSA-N 0 0 368.521 5.179 50 30 FKEARN CCCCCCCCC(=O)N1CCn2cccc2[C@H]1c1cccc(OC)c1 ZINC000102996258 222318346 /nfs/dbraw/zinc/31/83/46/222318346.db2.gz BHYIZTHNGIFPMW-HSZRJFAPSA-N 0 0 368.521 5.179 50 30 FKEARN CCCCCCCCC(=O)Nc1c(-c2ccc(C)cc2)nc2ccccn21 ZINC000102996512 222318717 /nfs/dbraw/zinc/31/87/17/222318717.db2.gz QTRCHFQIMAZBSG-UHFFFAOYSA-N 0 0 363.505 5.999 50 30 FKEARN CCCCCCCCC(=O)Nc1c(-c2ccc(F)cc2)nc2ccccn21 ZINC000102996519 209245456 /nfs/dbraw/zinc/24/54/56/209245456.db2.gz PGZZNWZEEQEUQH-UHFFFAOYSA-N 0 0 367.468 5.830 50 30 FKEARN CCCCCCCCC(=O)Nc1c(-c2cccc(F)c2)nc2ccccn21 ZINC000102996523 209245061 /nfs/dbraw/zinc/24/50/61/209245061.db2.gz HBQRKESUKZCUNR-UHFFFAOYSA-N 0 0 367.468 5.830 50 30 FKEARN CCCCCCCCCCCC(=O)Nc1sc(C)c(CC)c1C(N)=O ZINC000103000237 209245465 /nfs/dbraw/zinc/24/54/65/209245465.db2.gz FUIPUCLYVNUCSV-UHFFFAOYSA-N 0 0 366.571 5.577 50 30 FKEARN O=C(Nc1ccc(F)c(F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000103009476 222318294 /nfs/dbraw/zinc/31/82/94/222318294.db2.gz OZSKWPCADFZKLE-UHFFFAOYSA-N 0 0 369.211 5.255 50 30 FKEARN CCCCCCCCN(Cc1ccco1)C(=O)c1ccc2ncsc2c1 ZINC000103009628 520033264 /nfs/dbraw/zinc/03/32/64/520033264.db2.gz XUTNAZAYYWKATO-UHFFFAOYSA-N 0 0 370.518 5.892 50 30 FKEARN CC(Nc1cccc2ccccc21)=C1C(=O)CC(c2ccccc2)CC1=O ZINC000103115614 209247392 /nfs/dbraw/zinc/24/73/92/209247392.db2.gz QSPMEHNRRRJYRJ-UHFFFAOYSA-N 0 0 355.437 5.242 50 30 FKEARN CCCN1C(=O)/C(=C\c2c[nH]c3ccccc23)S/C1=N/c1ccccc1 ZINC000103217565 209248283 /nfs/dbraw/zinc/24/82/83/209248283.db2.gz AOLQCHMPTZPIDA-TZIVZOBOSA-N 0 0 361.470 5.182 50 30 FKEARN CCN(CC)c1ccc(/C=N\c2ccc(C)cc2C(=O)c2ccccc2)cc1 ZINC000103277833 520884842 /nfs/dbraw/zinc/88/48/42/520884842.db2.gz UAUDDXVZLIJBHV-ITYLOYPMSA-N 0 0 370.496 5.823 50 30 FKEARN CCOC(=O)c1c(C)c(C)sc1NC(C)=C1Sc2ccccc2C1=O ZINC000103432862 570850131 /nfs/dbraw/zinc/85/01/31/570850131.db2.gz IBKYDFAOSKEYJL-GZTJUZNOSA-N 0 0 373.499 5.174 50 30 FKEARN F/C(=C(/F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F ZINC000103529994 571072141 /nfs/dbraw/zinc/07/21/41/571072141.db2.gz UAEWLONMSWUOCA-OWOJBTEDSA-N 0 0 350.049 5.168 50 30 FKEARN CCCCCCCCCC(C)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000103611601 519975218 /nfs/dbraw/zinc/97/52/18/519975218.db2.gz IUEBGTPEQHNPFM-NBVRZTHBSA-N 0 0 350.419 5.432 50 30 FKEARN O=C(C(C(=O)c1ccccc1)=C1C=Cc2ccccc2N1)c1ccccc1 ZINC000103651192 570519294 /nfs/dbraw/zinc/51/92/94/570519294.db2.gz DUHWZUJFOYGXKR-UHFFFAOYSA-N 0 0 351.405 5.145 50 30 FKEARN O=[N+]([O-])c1cccc(/C=N/c2ccc(-c3nc4ccccc4s3)cc2)c1 ZINC000103724196 222342262 /nfs/dbraw/zinc/34/22/62/222342262.db2.gz YWQIMDKWQDSVML-FYJGNVAPSA-N 0 0 359.410 5.622 50 30 FKEARN CCOc1ccc(/C=N/c2cccc3c(-c4ccccc4)ccnc23)c(O)c1 ZINC000103748674 209255361 /nfs/dbraw/zinc/25/53/61/209255361.db2.gz VTJNGEDDRMBIIK-WGOQTCKBSA-N 0 0 368.436 5.757 50 30 FKEARN Clc1ccc(/C=N/c2cccc(-c3nc4ccccc4o3)c2)c(Cl)c1 ZINC000103749424 222342312 /nfs/dbraw/zinc/34/23/12/222342312.db2.gz DHJGZZSMGVCATD-FSJBWODESA-N 0 0 367.235 6.552 50 30 FKEARN Oc1ccc2ccccc2c1/C=N/c1ccc2nn(-c3ccccc3)nc2c1 ZINC000103751685 222342166 /nfs/dbraw/zinc/34/21/66/222342166.db2.gz FOZJAAFYSSGIFP-BUVRLJJBSA-N 0 0 364.408 5.030 50 30 FKEARN COc1ccc(/N=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)cc1 ZINC000103752681 523466489 /nfs/dbraw/zinc/46/64/89/523466489.db2.gz AWFGGWRLUHFCNS-OEAKJJBVSA-N 0 0 365.816 5.318 50 30 FKEARN COc1ccc(-c2nc3cc(/N=C/c4ccc([N+](=O)[O-])cc4)ccc3o2)cc1 ZINC000103753005 209254832 /nfs/dbraw/zinc/25/48/32/209254832.db2.gz RHMNDLKZTQUNLD-LPYMAVHISA-N 0 0 373.368 5.162 50 30 FKEARN Cc1ccc2nc(-c3ccc(/N=C/c4ccc5c(c4)OCO5)cc3)oc2c1 ZINC000103753590 209255416 /nfs/dbraw/zinc/25/54/16/209255416.db2.gz SNWOSNMJAKIYAJ-FSJBWODESA-N 0 0 356.381 5.283 50 30 FKEARN Cc1cccc(-c2nc3cc(/N=C/c4ccc([N+](=O)[O-])cc4)ccc3o2)c1 ZINC000103753647 222342727 /nfs/dbraw/zinc/34/27/27/222342727.db2.gz SKOFHVKNKKBJDN-LPYMAVHISA-N 0 0 357.369 5.462 50 30 FKEARN Clc1ccc(/N=C/c2c3ccccc3cc3ccccc32)c2ncccc12 ZINC000103754663 222342351 /nfs/dbraw/zinc/34/23/51/222342351.db2.gz HRTWLNMABGMQNJ-JFLMPSFJSA-N 0 0 366.851 6.945 50 30 FKEARN Clc1ccc(-c2ccc(/C=N/c3ccc4c(c3)oc3ccccc34)o2)cc1 ZINC000103756827 222342737 /nfs/dbraw/zinc/34/27/37/222342737.db2.gz OIVLLROHIJRQAF-AFUMVMLFSA-N 0 0 371.823 7.250 50 30 FKEARN COc1ccc(/N=C/c2ccc(Sc3nc4ccccc4s3)o2)cc1 ZINC000103756993 523466613 /nfs/dbraw/zinc/46/66/13/523466613.db2.gz VZHFDSJJUFCUJJ-UDWIEESQSA-N 0 0 366.467 5.800 50 30 FKEARN COc1ccc(/N=C/c2ccc(Sc3cccc4cccnc43)o2)cc1 ZINC000103756998 523465722 /nfs/dbraw/zinc/46/57/22/523465722.db2.gz SCDXIJDSZARIGM-OEAKJJBVSA-N 0 0 360.438 5.738 50 30 FKEARN O=[N+]([O-])c1ccc(/C=N/c2ccc3oc(-c4ccccc4Cl)nc3c2)o1 ZINC000103780852 209257094 /nfs/dbraw/zinc/25/70/94/209257094.db2.gz QBKZWDJZOXFXOA-KEBDBYFISA-N 0 0 367.748 5.400 50 30 FKEARN Clc1ccccc1C/N=C\c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000103830346 570852675 /nfs/dbraw/zinc/85/26/75/570852675.db2.gz GVDSTGIYXHEGPD-XYGWBWBKSA-N 0 0 371.871 5.812 50 30 FKEARN CCCCCCCCCNC(C)=C1N=C(c2ccc(Cl)cc2)OC1=O ZINC000103839984 570852604 /nfs/dbraw/zinc/85/26/04/570852604.db2.gz QHYLXFOEUQJYPW-OBGWFSINSA-N 0 0 362.901 5.215 50 30 FKEARN C[C@@H]1CCc2c(C#N)c(NC=CC(=O)c3ccc4ccccc4c3)sc2C1 ZINC000103844924 524719219 /nfs/dbraw/zinc/71/92/19/524719219.db2.gz NZZPUJHYIXENNG-AUECHBEKSA-N 0 0 372.493 5.706 50 30 FKEARN C[C@H]1CCc2c(C#N)c(NC=CC(=O)c3ccc4ccccc4c3)sc2C1 ZINC000103844930 524431872 /nfs/dbraw/zinc/43/18/72/524431872.db2.gz NZZPUJHYIXENNG-NKSUMMKUSA-N 0 0 372.493 5.706 50 30 FKEARN COc1cccc(Oc2ccc(NC=CC(=O)c3ccc(F)cc3)cc2)c1 ZINC000103847952 526241565 /nfs/dbraw/zinc/24/15/65/526241565.db2.gz QTFRWAQQZIKRPH-BUHFOSPRSA-N 0 0 363.388 5.435 50 30 FKEARN COc1ccc(Cl)cc1NC=CC(=O)c1ccc(-c2ccccc2)cc1 ZINC000103848554 222345247 /nfs/dbraw/zinc/34/52/47/222345247.db2.gz VTIHKTGNZZRSEY-BUHFOSPRSA-N 0 0 363.844 5.824 50 30 FKEARN O=C(C=CNc1ccc(Br)cc1Cl)c1ccc(Cl)cc1 ZINC000103849672 570853016 /nfs/dbraw/zinc/85/30/16/570853016.db2.gz YWFOYXAGYKTVOG-FPLPWBNLSA-N 0 0 371.061 5.564 50 30 FKEARN CCCCCCCCOc1ccc(/C=C2/COc3ccccc3C2=O)cc1 ZINC000103853465 570853213 /nfs/dbraw/zinc/85/32/13/570853213.db2.gz BAVUBIDCTYEJAN-JZJYNLBNSA-N 0 0 364.485 6.085 50 30 FKEARN CCC(=CC(=O)c1ccc(Br)cc1)Nc1ccc(OC)cc1 ZINC000103861569 570853265 /nfs/dbraw/zinc/85/32/65/570853265.db2.gz ZLONITMVPGFRFV-NTCAYCPXSA-N 0 0 360.251 5.046 50 30 FKEARN CCOc1cc(/C=N/O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000103865528 520643567 /nfs/dbraw/zinc/64/35/67/520643567.db2.gz IPGILLIXXLKGPL-DNTJNYDQSA-N 0 0 374.651 5.433 50 30 FKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1cccc(O)c1 ZINC000103872323 206236585 /nfs/dbraw/zinc/23/65/85/206236585.db2.gz YLNZMXMOQIYQCL-IBGZPJMESA-N 0 0 371.436 5.170 50 30 FKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1cccc(O)c1 ZINC000103872327 222345373 /nfs/dbraw/zinc/34/53/73/222345373.db2.gz YLNZMXMOQIYQCL-LJQANCHMSA-N 0 0 371.436 5.170 50 30 FKEARN Cc1ccc(N=CC(C(=O)C(F)(F)F)=C([O-])c2cccs2)cc1Cl ZINC000103874096 570853175 /nfs/dbraw/zinc/85/31/75/570853175.db2.gz IUCDOJVWQSZKIO-DHZHZOJOSA-N 0 0 373.783 5.020 50 30 FKEARN CC(C(=O)c1ccc(F)cc1)=C(CC(=O)c1ccccc1)c1ccccc1 ZINC000103895488 570853284 /nfs/dbraw/zinc/85/32/84/570853284.db2.gz NZVUKHMWNUFLAD-XLNRJJMWSA-N 0 0 358.412 5.755 50 30 FKEARN COc1ccc(C(=O)CC(=CC(=O)c2ccc(C)cc2)c2ccccc2)cc1 ZINC000103896215 570853236 /nfs/dbraw/zinc/85/32/36/570853236.db2.gz MZYJCYWQYOQKBH-JWGURIENSA-N 0 0 370.448 5.543 50 30 FKEARN C=C(CSc1nc2c(cc1C#N)CCCC2)Nc1ccc(Cl)cc1 ZINC000103971516 571104326 /nfs/dbraw/zinc/10/43/26/571104326.db2.gz QXFBJSXOFCTHKY-UHFFFAOYSA-N 0 0 355.894 5.203 50 30 FKEARN Nc1ccc(C(=O)c2ccccc2)cc1NC1=CC(=O)C[C@@H](c2ccco2)C1 ZINC000104082996 527474756 /nfs/dbraw/zinc/47/47/56/527474756.db2.gz LYZKIWPDQXMLEE-AJHWWFRHSA-N 0 0 372.424 5.185 50 30 FKEARN Nc1ccc(C(=O)c2ccccc2)cc1NC1=CC(=O)C[C@H](c2ccco2)C1 ZINC000104083000 527474170 /nfs/dbraw/zinc/47/41/70/527474170.db2.gz LYZKIWPDQXMLEE-ATAOFQGQSA-N 0 0 372.424 5.185 50 30 FKEARN COc1ccc([C@@H]2CC(=O)C=C(Nc3ccc(Br)cc3)C2)cc1 ZINC000104160674 206235943 /nfs/dbraw/zinc/23/59/43/206235943.db2.gz AVSXKNASYVAHPL-NNLSSIJJSA-N 0 0 372.262 5.550 50 30 FKEARN COc1ccc([C@H]2CC(=O)C=C(Nc3ccc(Br)cc3)C2)cc1 ZINC000104160677 570857208 /nfs/dbraw/zinc/85/72/08/570857208.db2.gz AVSXKNASYVAHPL-GICLCMKGSA-N 0 0 372.262 5.550 50 30 FKEARN CCCCCCCCCCCCSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000104243698 520013148 /nfs/dbraw/zinc/01/31/48/520013148.db2.gz OCKPJSICGVDMNH-UHFFFAOYSA-N 0 0 368.499 6.516 50 30 FKEARN CC[C@@H]1CCCCCCCCC1N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000104277600 222354179 /nfs/dbraw/zinc/35/41/79/222354179.db2.gz IVBLOBJPGRVNFF-DZTQIWHNSA-N 0 0 362.430 5.432 50 30 FKEARN CC[C@H]1CCCCCCCCC1N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000104277608 571134183 /nfs/dbraw/zinc/13/41/83/571134183.db2.gz IVBLOBJPGRVNFF-DNQHLSNTSA-N 0 0 362.430 5.432 50 30 FKEARN O=C(C=CNc1cccc(Cl)c1Cl)c1ccc(Cl)cc1Cl ZINC000104612084 570859999 /nfs/dbraw/zinc/85/99/99/570859999.db2.gz MLXZYCMCFZOYKK-SREVYHEPSA-N 0 0 361.055 6.109 50 30 FKEARN O=C(C=CNc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1Cl ZINC000104617749 570860154 /nfs/dbraw/zinc/86/01/54/570860154.db2.gz OHNPFBJVYBOKIZ-WAYWQWQTSA-N 0 0 361.055 6.109 50 30 FKEARN O=C(C=CNc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl ZINC000104639179 570860438 /nfs/dbraw/zinc/86/04/38/570860438.db2.gz XEKJOKZUVIBFIH-WAYWQWQTSA-N 0 0 371.607 5.364 50 30 FKEARN Cc1ccc(NC=CC(=O)c2ccc(Cl)cc2)cc1Br ZINC000104692541 570860780 /nfs/dbraw/zinc/86/07/80/570860780.db2.gz VLAIUTQRAKFIMR-HJWRWDBZSA-N 0 0 350.643 5.219 50 30 FKEARN CC(=O)Nc1ccc(NC=CC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000104731190 570861384 /nfs/dbraw/zinc/86/13/84/570861384.db2.gz 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O=c1[nH]c2ccc(N=Cc3ccc(-c4cccc(Cl)c4Cl)o3)cc2[nH]1 ZINC000250788632 571271575 /nfs/dbraw/zinc/27/15/75/571271575.db2.gz PDFXXHDNVFRSFF-UHFFFAOYSA-N 0 0 372.211 5.174 50 30 FKEARN CCC(C)(C)[C@H]1C/C(=C\c2ccccc2C)C(=O)/C(=C\c2ccccc2C)C1 ZINC000251260249 521363777 /nfs/dbraw/zinc/36/37/77/521363777.db2.gz LFTHWCGASRCWAL-UWALNTEISA-N 0 0 372.552 7.186 50 30 FKEARN CCC(C)(C)[C@@H]1C/C(=C\c2ccccc2C)C(=O)/C(=C\c2ccccc2C)C1 ZINC000251260255 521362690 /nfs/dbraw/zinc/36/26/90/521362690.db2.gz LFTHWCGASRCWAL-XZXHPPSQSA-N 0 0 372.552 7.186 50 30 FKEARN CC[C@H]1C/C(=C\c2ccc(Cl)cc2)C(=O)/C(=C\c2ccc(Cl)cc2)C1 ZINC000251474843 522988240 /nfs/dbraw/zinc/98/82/40/522988240.db2.gz BUIBDSHABWDTEC-IPARKIBGSA-N 0 0 371.307 6.850 50 30 FKEARN CC[C@@H]1C/C(=C\c2ccc(Cl)cc2)C(=O)/C(=C\c2ccc(Cl)cc2)C1 ZINC000251474853 523141622 /nfs/dbraw/zinc/14/16/22/523141622.db2.gz BUIBDSHABWDTEC-YGZAECRISA-N 0 0 371.307 6.850 50 30 FKEARN CC[C@H]1C/C(=C\c2ccc(OC)cc2)C(=O)/C(=C\c2ccc(OC)cc2)C1 ZINC000251693772 522988605 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/nfs/dbraw/zinc/28/46/32/571284632.db2.gz FBRJKYDFCPQWSV-UHFFFAOYSA-N 0 0 363.505 6.063 50 30 FKEARN COc1ccc(C=Nc2ccc(-c3ccccc3)cc2)c2c(OC)cccc12 ZINC000252601727 571284612 /nfs/dbraw/zinc/28/46/12/571284612.db2.gz FCBZQKPVOFZVPA-UHFFFAOYSA-N 0 0 367.448 6.275 50 30 FKEARN Cc1[nH]nc(N=Cc2cccc(Br)c2)c1-c1ccc(Cl)cc1 ZINC000252601749 571284622 /nfs/dbraw/zinc/28/46/22/571284622.db2.gz FCMROJWCYGHUNI-UHFFFAOYSA-N 0 0 374.669 5.552 50 30 FKEARN COC(=O)c1ccc(C=Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 ZINC000252602093 571284557 /nfs/dbraw/zinc/28/45/57/571284557.db2.gz FFIGIZWLGAUWKP-UHFFFAOYSA-N 0 0 372.449 5.501 50 30 FKEARN CCOc1ccc2ccccc2c1C=Nc1sc2c(c1C#N)CCCC2 ZINC000252602213 571284721 /nfs/dbraw/zinc/28/47/21/571284721.db2.gz FGLVCDVZIUNODC-UHFFFAOYSA-N 0 0 360.482 5.801 50 30 FKEARN Cc1ccccc1-c1nc2cc(N=Cc3ccc(C(C)C)cc3)ccc2o1 ZINC000252602417 571284734 /nfs/dbraw/zinc/28/47/34/571284734.db2.gz FHPRBRIXMNMMGF-UHFFFAOYSA-N 0 0 354.453 6.677 50 30 FKEARN CC(N=Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)c1ccccc1 ZINC000252602428 571284761 /nfs/dbraw/zinc/28/47/61/571284761.db2.gz FHXATTVNYGYQKE-UHFFFAOYSA-N 0 0 369.493 6.313 50 30 FKEARN Cc1ccc2nc(-c3ccc(N=Cc4cc(C)ccc4O)cc3O)oc2c1 ZINC000252602902 571284723 /nfs/dbraw/zinc/28/47/23/571284723.db2.gz FLYWTQGEBZPNRM-UHFFFAOYSA-N 0 0 358.397 5.273 50 30 FKEARN Cc1ccc2oc(-c3ccc(C)c(N=Cc4ccc([N+](=O)[O-])o4)c3)nc2c1 ZINC000252602974 571284752 /nfs/dbraw/zinc/28/47/52/571284752.db2.gz FNLPZFUAXCCIJY-UHFFFAOYSA-N 0 0 361.357 5.363 50 30 FKEARN c1ccc2c(c1)[nH]c1c2CCCC1=NN=C1CCCc2c3ccccc3[nH]c21 ZINC000252603137 571284776 /nfs/dbraw/zinc/28/47/76/571284776.db2.gz FNXQLTBZJPOLSF-UHFFFAOYSA-N 0 0 366.468 5.515 50 30 FKEARN Oc1ccc2ccccc2c1C=Nc1ccc2nn(-c3ccccc3)nc2c1 ZINC000252603237 571284699 /nfs/dbraw/zinc/28/46/99/571284699.db2.gz FOZJAAFYSSGIFP-UHFFFAOYSA-N 0 0 364.408 5.030 50 30 FKEARN Cc1ccc(Cl)cc1-c1ccc(C=Nc2cc(C(C)(C)C)ccc2O)o1 ZINC000252603243 571284757 /nfs/dbraw/zinc/28/47/57/571284757.db2.gz FPEOATBWKHFMKV-UHFFFAOYSA-N 0 0 367.876 6.662 50 30 FKEARN CCCN1C(=O)/C(=C/c2ccc(C)s2)SC1=Nc1ccc(OC)cc1 ZINC000252603250 521698206 /nfs/dbraw/zinc/69/82/06/521698206.db2.gz FPGLRERKARMPJL-HDTIWSQQSA-N 0 0 372.515 5.079 50 30 FKEARN Clc1ccc(-c2nc3cc(N=Cc4ccccc4)ccc3o2)c(Cl)c1 ZINC000252603678 571284701 /nfs/dbraw/zinc/28/47/01/571284701.db2.gz FSXRSBBWOUEUPT-UHFFFAOYSA-N 0 0 367.235 6.552 50 30 FKEARN COc1cccc(-c2nc3cc(N=Cc4ccc(Cl)cc4)ccc3o2)c1 ZINC000252603755 571317400 /nfs/dbraw/zinc/31/74/00/571317400.db2.gz FTOIXVIJOWTAAY-UHFFFAOYSA-N 0 0 362.816 5.907 50 30 FKEARN Cc1cccc2oc(-c3ccc(C)c(N=Cc4cccc([N+](=O)[O-])c4)c3)nc21 ZINC000252603776 571284778 /nfs/dbraw/zinc/28/47/78/571284778.db2.gz FTSRKUHYXOBTOT-UHFFFAOYSA-N 0 0 371.396 5.770 50 30 FKEARN Cc1ccc(-c2csc(N=NCc3ccc(Br)cc3)n2)cc1 ZINC000252604113 571284748 /nfs/dbraw/zinc/28/47/48/571284748.db2.gz FWQGGZRVTYJRCN-UHFFFAOYSA-N 0 0 372.291 5.327 50 30 FKEARN O=[N+]([O-])c1cccc(-c2ccc(C=Nc3cccc(C(F)(F)F)c3)o2)c1 ZINC000252604141 571284710 /nfs/dbraw/zinc/28/47/10/571284710.db2.gz FXBFFQYVEATFCG-UHFFFAOYSA-N 0 0 360.291 5.624 50 30 FKEARN CCCCc1ccc(C(C)N=Nc2nc(C)cc(-c3ccccc3)n2)cc1 ZINC000252604161 571284765 /nfs/dbraw/zinc/28/47/65/571284765.db2.gz FXNGPWFVOQDTRA-UHFFFAOYSA-N 0 0 358.489 5.631 50 30 FKEARN CCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=Nc1ccccc1 ZINC000252604290 571284826 /nfs/dbraw/zinc/28/48/26/571284826.db2.gz FYDBHUAMKZMRKN-FZECDQFNSA-N 0 0 356.878 5.354 50 30 FKEARN Cc1ccc(-c2ccc(C=NNc3ccc([N+](=O)[O-])cc3)o2)cc1Cl ZINC000252604896 571284715 /nfs/dbraw/zinc/28/47/15/571284715.db2.gz GEWXBHIZCVDKKV-UHFFFAOYSA-N 0 0 355.781 5.263 50 30 FKEARN CCOc1ccc(-c2nc(N=NCc3ccc(Cl)cc3)sc2C)cc1 ZINC000252605127 571284770 /nfs/dbraw/zinc/28/47/70/571284770.db2.gz GGBPTSCTZFZTRG-UHFFFAOYSA-N 0 0 371.893 5.039 50 30 FKEARN COc1cccc(C=Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)c1O ZINC000252605872 571284831 /nfs/dbraw/zinc/28/48/31/571284831.db2.gz GNXNSUQNCGXMPZ-UHFFFAOYSA-N 0 0 372.424 5.576 50 30 FKEARN C#CCOc1ccc(C=Nc2ccc3c(c2)oc2ccccc23)cc1OC ZINC000252606057 571284833 /nfs/dbraw/zinc/28/48/33/571284833.db2.gz GPBAIRIQUSQBLC-UHFFFAOYSA-N 0 0 355.393 5.357 50 30 FKEARN CN(C)c1ccc(C=Nc2cc(-c3ccccc3)nn2-c2ccccc2)cc1 ZINC000252606673 571284887 /nfs/dbraw/zinc/28/48/87/571284887.db2.gz GUHVLTSSVAHUPR-UHFFFAOYSA-N 0 0 366.468 5.356 50 30 FKEARN N#Cc1c2c(sc1N=Cc1ccc(Br)cc1)CCCCC2 ZINC000252606883 571284852 /nfs/dbraw/zinc/28/48/52/571284852.db2.gz GWZRYCPJHWEKNX-UHFFFAOYSA-N 0 0 359.292 5.402 50 30 FKEARN CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=Nc1ccccc1 ZINC000252607178 571284848 /nfs/dbraw/zinc/28/48/48/571284848.db2.gz GZBRHIHYJLXKGG-FZECDQFNSA-N 0 0 356.878 5.354 50 30 FKEARN CCCCCCCOc1ccccc1C=NN=c1[nH]c2ccccc2s1 ZINC000252607377 571284859 /nfs/dbraw/zinc/28/48/59/571284859.db2.gz HBRKNQPFZVNCNL-UHFFFAOYSA-N 0 0 367.518 6.092 50 30 FKEARN Brc1ccc(-c2csc(N=NCc3ccccc3)n2)cc1 ZINC000252607836 571284958 /nfs/dbraw/zinc/28/49/58/571284958.db2.gz HFANHGMQAAJDMD-UHFFFAOYSA-N 0 0 358.264 5.019 50 30 FKEARN Clc1ccc(-c2csc(N=NCc3c[nH]c4ccccc34)n2)cc1 ZINC000252607837 571284990 /nfs/dbraw/zinc/28/49/90/571284990.db2.gz HFAWWSMSCNKBBA-UHFFFAOYSA-N 0 0 352.850 5.391 50 30 FKEARN CN(C)c1ccc([N+](=O)[O-])cc1C=Nc1ccc2c(c1)oc1ccccc12 ZINC000252608337 571284975 /nfs/dbraw/zinc/28/49/75/571284975.db2.gz HJJUMAJDTXRFMA-UHFFFAOYSA-N 0 0 359.385 5.311 50 30 FKEARN CCCn1c2ccccc2nc1N=Cc1ccc(OC)c2cccc(OC)c12 ZINC000252608581 571284991 /nfs/dbraw/zinc/28/49/91/571284991.db2.gz HLNBBMIFCTUHKV-UHFFFAOYSA-N 0 0 373.456 5.367 50 30 FKEARN Oc1ccc2ccccc2c1C=Nc1ccccc1-c1nc2ccccc2[nH]1 ZINC000252608852 571285067 /nfs/dbraw/zinc/28/50/67/571285067.db2.gz HOCMMTZZDZSGGP-UHFFFAOYSA-N 0 0 363.420 5.839 50 30 FKEARN Clc1ccc(N=Cc2c3ccccc3cc3ccccc32)c2ncccc12 ZINC000252609329 571285084 /nfs/dbraw/zinc/28/50/84/571285084.db2.gz HRTWLNMABGMQNJ-UHFFFAOYSA-N 0 0 366.851 6.945 50 30 FKEARN Cc1ccc(N=C2CCCc3c4cc(Br)ccc4[nH]c32)cc1 ZINC000252610005 571285186 /nfs/dbraw/zinc/28/51/86/571285186.db2.gz HXMJRVNLOYBDMX-UHFFFAOYSA-N 0 0 353.263 5.696 50 30 FKEARN Cc1cccc(-c2nc3cc(N=Cc4ccccc4[N+](=O)[O-])ccc3o2)c1 ZINC000252610378 571285240 /nfs/dbraw/zinc/28/52/40/571285240.db2.gz IBJFCYITHLJWEG-UHFFFAOYSA-N 0 0 357.369 5.462 50 30 FKEARN Cc1cccc(C=Nc2cccc(-c3cc4ccccc4oc3=O)c2)c1O ZINC000252610490 571285222 /nfs/dbraw/zinc/28/52/22/571285222.db2.gz IBPNIJQXILPKPR-UHFFFAOYSA-N 0 0 355.393 5.225 50 30 FKEARN C(=NNc1cccc2cccnc21)c1ccc(OCc2ccccc2)cc1 ZINC000252610585 571285224 /nfs/dbraw/zinc/28/52/24/571285224.db2.gz ICXKPYCHQMKXFR-UHFFFAOYSA-N 0 0 353.425 5.260 50 30 FKEARN COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1N=Cc1ccccc1O ZINC000252610767 571285623 /nfs/dbraw/zinc/28/56/23/571285623.db2.gz IDJLJSZIRWEAOY-UHFFFAOYSA-N 0 0 361.485 5.619 50 30 FKEARN Cc1cc(C(F)(F)F)c2c(N=Cc3ccc(N(C)C)cc3)csc2n1 ZINC000252610842 571285628 /nfs/dbraw/zinc/28/56/28/571285628.db2.gz IEJLGLXYXUIWKR-UHFFFAOYSA-N 0 0 363.408 5.440 50 30 FKEARN Oc1ccc2ccccc2c1C=Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000252611068 571285707 /nfs/dbraw/zinc/28/57/07/571285707.db2.gz IGYCILOUXGUCMY-UHFFFAOYSA-N 0 0 363.420 5.839 50 30 FKEARN Cc1cccc(C(=O)Nc2ccc(N=Cc3cc(Cl)ccc3O)cc2)c1 ZINC000252611541 571285710 /nfs/dbraw/zinc/28/57/10/571285710.db2.gz IKNNQLHYCCCTLU-UHFFFAOYSA-N 0 0 364.832 5.357 50 30 FKEARN S=C(N=NCc1c2ccccc2cc2ccccc21)Nc1ccccc1 ZINC000252611995 526388254 /nfs/dbraw/zinc/38/82/54/526388254.db2.gz IOXANBGTOKHNTB-UHFFFAOYSA-N 0 0 355.466 5.725 50 30 FKEARN O=C(Nc1ccc(N=Cc2c(O)cccc2Cl)cc1)c1ccc(F)cc1 ZINC000252612198 571285690 /nfs/dbraw/zinc/28/56/90/571285690.db2.gz IQBYLKLKAQQDAA-UHFFFAOYSA-N 0 0 368.795 5.188 50 30 FKEARN CN(C)c1ccc(C=Nc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)cc1 ZINC000252612213 571285714 /nfs/dbraw/zinc/28/57/14/571285714.db2.gz IQHWDMPPHUBWNU-UHFFFAOYSA-N 0 0 352.522 5.804 50 30 FKEARN Cc1cccc(C=Nc2ccc(-c3nc4ccccc4s3)c(O)c2)c1O ZINC000252612242 571285771 /nfs/dbraw/zinc/28/57/71/571285771.db2.gz IQSRDZJHZKKRHE-UHFFFAOYSA-N 0 0 360.438 5.434 50 30 FKEARN COc1ccc(C=Nc2ccc3c(c2)c2nc4ccccc4nc2n3C)cc1 ZINC000252612275 571285678 /nfs/dbraw/zinc/28/56/78/571285678.db2.gz IRLYMOIGJPUVRG-UHFFFAOYSA-N 0 0 366.424 5.034 50 30 FKEARN CCCCCCCCCC(C)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000252612477 571285679 /nfs/dbraw/zinc/28/56/79/571285679.db2.gz IUEBGTPEQHNPFM-UHFFFAOYSA-N 0 0 350.419 5.432 50 30 FKEARN O=C(C(=NNc1ccccc1)Sc1ccc(Cl)cc1)c1cccs1 ZINC000252612671 571285681 /nfs/dbraw/zinc/28/56/81/571285681.db2.gz IUNSKTLFXXMCIZ-UHFFFAOYSA-N 0 0 372.902 5.802 50 30 FKEARN Cc1cc(Cl)cc(Cl)c1N=Cc1c2ccccc2cc2ccccc21 ZINC000252613183 571285846 /nfs/dbraw/zinc/28/58/46/571285846.db2.gz IZDATYDBJRZZSC-UHFFFAOYSA-N 0 0 364.275 7.359 50 30 FKEARN Cc1ccc(Cn2c3ccccc3nc2N=Cc2ccc(N(C)C)cc2)cc1 ZINC000252613426 571285858 /nfs/dbraw/zinc/28/58/58/571285858.db2.gz JBEKVGARRJMLGR-UHFFFAOYSA-N 0 0 368.484 5.210 50 30 FKEARN Cc1cccc(-c2nc3cc(N=Cc4c(C)cc(O)cc4O)ccc3o2)c1 ZINC000252614192 571285854 /nfs/dbraw/zinc/28/58/54/571285854.db2.gz JGVMROWMYCMACQ-UHFFFAOYSA-N 0 0 358.397 5.273 50 30 FKEARN CCCN1C(=O)/C(=C/c2ccc(C)o2)SC1=Nc1ccc(OCC)cc1 ZINC000252615177 521698319 /nfs/dbraw/zinc/69/83/19/521698319.db2.gz JQGAHXVEWUKPLB-JEFZPDFESA-N 0 0 370.474 5.001 50 30 FKEARN Fc1ccc(N=Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 ZINC000252615801 571285893 /nfs/dbraw/zinc/28/58/93/571285893.db2.gz JVALENKCYCLEEH-UHFFFAOYSA-N 0 0 363.823 5.628 50 30 FKEARN Cn1c2ccccc2nc1N=Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000252616117 571286102 /nfs/dbraw/zinc/28/61/02/571286102.db2.gz JXFCADDENSEBAR-UHFFFAOYSA-N 0 0 363.505 5.625 50 30 FKEARN CCOc1ccc(C=Nc2ccc3oc(-c4ccc(C)cc4)nc3c2)cc1 ZINC000252616167 571286010 /nfs/dbraw/zinc/28/60/10/571286010.db2.gz JYFYTKKZAPLQCY-UHFFFAOYSA-N 0 0 356.425 5.953 50 30 FKEARN COc1ccc(C=Nc2ccc(C(=O)Nc3ccccc3C)cc2)cc1OC ZINC000252616357 571286022 /nfs/dbraw/zinc/28/60/22/571286022.db2.gz JZUKFOAVYMOQRJ-UHFFFAOYSA-N 0 0 374.440 5.015 50 30 FKEARN CC(=Nc1cccc(N=C(C)c2ccc(C)c(C)c2)n1)c1ccc(C)c(C)c1 ZINC000252616714 571286101 /nfs/dbraw/zinc/28/61/01/571286101.db2.gz KEDNRWKAMBSKET-UHFFFAOYSA-N 0 0 369.512 6.597 50 30 FKEARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1C/C(=C/c1cccs1)C2=O ZINC000252616717 571286033 /nfs/dbraw/zinc/28/60/33/571286033.db2.gz KEFQOADBHMAFFK-GZCBVYBTSA-N 0 0 368.586 6.743 50 30 FKEARN Clc1cccc(-c2ccc(C=NN=c3[nH]c4ccccc4s3)o2)c1 ZINC000252616721 571286097 /nfs/dbraw/zinc/28/60/97/571286097.db2.gz KEGXDFMDAQIXGR-UHFFFAOYSA-N 0 0 353.834 5.656 50 30 FKEARN N#Cc1c(N=Cc2cc(Cl)cc(Cl)c2[O-])sc2c1CCCC2 ZINC000252616893 571286166 /nfs/dbraw/zinc/28/61/66/571286166.db2.gz KHWNAJMRMRZOLM-UHFFFAOYSA-N 0 0 351.258 5.262 50 30 FKEARN CCn1c2ccccc2c2cc(C=Nc3ccc4c(c3)OCCO4)ccc21 ZINC000252616933 571286120 /nfs/dbraw/zinc/28/61/20/571286120.db2.gz KIXNCXNOJWOZGW-UHFFFAOYSA-N 0 0 356.425 5.336 50 30 FKEARN CCOc1ccc(N=Cc2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)cc1 ZINC000252617058 571286208 /nfs/dbraw/zinc/28/62/08/571286208.db2.gz KLHOQVUKSCUTLP-UHFFFAOYSA-N 0 0 350.374 5.313 50 30 FKEARN Clc1cc(Cl)c(N=NCc2nc3ccccc3s2)c(Cl)c1 ZINC000252617064 571286149 /nfs/dbraw/zinc/28/61/49/571286149.db2.gz KLNKJJOXTUBEIH-UHFFFAOYSA-N 0 0 356.665 5.703 50 30 FKEARN S=C1C(=Nc2ccccc2)n2c3ccccc3nc2N1c1ccccc1 ZINC000252617126 571286196 /nfs/dbraw/zinc/28/61/96/571286196.db2.gz KMTRQDOISTVNNE-UHFFFAOYSA-N 0 0 354.438 5.094 50 30 FKEARN Cc1ccc2oc(-c3ccc(N=Cc4cc(C)ccc4O)cc3O)nc2c1 ZINC000252617293 571286181 /nfs/dbraw/zinc/28/61/81/571286181.db2.gz KPVCSBODJNSAAV-UHFFFAOYSA-N 0 0 358.397 5.273 50 30 FKEARN CC(=O)Nc1ccc(N=Cc2ccccc2OCc2ccccc2F)cc1 ZINC000252617415 571286193 /nfs/dbraw/zinc/28/61/93/571286193.db2.gz KSIZAGPQLORFBI-UHFFFAOYSA-N 0 0 362.404 5.114 50 30 FKEARN CCN1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=Nc1ccc(C)cc1 ZINC000252617609 521515258 /nfs/dbraw/zinc/51/52/58/521515258.db2.gz KWZMZBPMHJSKNY-PXWOKZSGSA-N 0 0 361.470 5.100 50 30 FKEARN CCN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=Nc1ccc(C)cc1 ZINC000252617610 571286124 /nfs/dbraw/zinc/28/61/24/571286124.db2.gz KWZMZBPMHJSKNY-SYVFOUEHSA-N 0 0 361.470 5.100 50 30 FKEARN c1sc(N=NCc2ccccc2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000252617643 571286117 /nfs/dbraw/zinc/28/61/17/571286117.db2.gz KXNUBVXXLTXHGU-UHFFFAOYSA-N 0 0 355.466 5.923 50 30 FKEARN O=[N+]([O-])c1ccccc1/C=C/C=Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000252617711 571317406 /nfs/dbraw/zinc/31/74/06/571317406.db2.gz KYSDQIXCBPBTJF-HPAPIJOGSA-N 0 0 368.396 5.554 50 30 FKEARN O=[N+]([O-])c1ccccc1/C=C\C=Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000252617712 571317376 /nfs/dbraw/zinc/31/73/76/571317376.db2.gz KYSDQIXCBPBTJF-ZOKPEWGRSA-N 0 0 368.396 5.554 50 30 FKEARN Cc1cc(-c2ccccc2)nc(N=NCc2c(Cl)cccc2Cl)n1 ZINC000252617757 571286225 /nfs/dbraw/zinc/28/62/25/571286225.db2.gz KZNXCTAWURBQKL-UHFFFAOYSA-N 0 0 357.244 5.205 50 30 FKEARN Clc1cccc(C=Nc2ccc(N=Cc3cccc(Cl)c3)cc2)c1 ZINC000252618873 571286602 /nfs/dbraw/zinc/28/66/02/571286602.db2.gz LKMLDXGLFVAYMW-UHFFFAOYSA-N 0 0 353.252 6.495 50 30 FKEARN Cc1ccc(C=Nc2ccc(-c3ccc(N=Cc4ccc(C)o4)cc3)cc2)o1 ZINC000252619575 571286662 /nfs/dbraw/zinc/28/66/62/571286662.db2.gz LQHGPIKSNIDFGR-UHFFFAOYSA-N 0 0 368.436 6.658 50 30 FKEARN Cc1ccc(Cn2c3ccccc3nc2N=Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000252619603 571286992 /nfs/dbraw/zinc/28/69/92/571286992.db2.gz LQUHRPNRMJGSET-UHFFFAOYSA-N 0 0 370.412 5.052 50 30 FKEARN Cc1cc(C=Nc2ccc(C)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000252619614 571286930 /nfs/dbraw/zinc/28/69/30/571286930.db2.gz LRAHYQOMGWOCGC-UHFFFAOYSA-N 0 0 367.290 5.916 50 30 FKEARN Cc1ccc2nc(-c3cc(N=Cc4ccccc4O)ccc3Cl)oc2c1 ZINC000252620024 571287455 /nfs/dbraw/zinc/28/74/55/571287455.db2.gz LWBWOVLZVRAPKG-UHFFFAOYSA-N 0 0 362.816 5.913 50 30 FKEARN CC(C)(C)C(=CCc1ccccc1)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000252620358 571287485 /nfs/dbraw/zinc/28/74/85/571287485.db2.gz MCNFQUFLMJYHTB-DONMJRKJSA-N 0 0 368.393 5.030 50 30 FKEARN Cc1ccc2oc(-c3cc(N=C/C=C/c4ccccc4)ccc3O)nc2c1 ZINC000252620469 571287558 /nfs/dbraw/zinc/28/75/58/571287558.db2.gz MEPKPJQTHHWJMC-TXCMASFXSA-N 0 0 354.409 5.925 50 30 FKEARN Cc1ccc2oc(-c3cc(N=C/C=C\c4ccccc4)ccc3O)nc2c1 ZINC000252620470 571287511 /nfs/dbraw/zinc/28/75/11/571287511.db2.gz MEPKPJQTHHWJMC-VZQSFYQKSA-N 0 0 354.409 5.925 50 30 FKEARN Cc1sc(N=NCc2cccc(Cl)c2)nc1-c1ccc(Cl)cc1 ZINC000252620983 571288205 /nfs/dbraw/zinc/28/82/05/571288205.db2.gz MQFATHKLMQSPRH-UHFFFAOYSA-N 0 0 362.285 5.293 50 30 FKEARN CCCCOc1ccc(N=CC=Nc2ccc(OCCCC)cc2)cc1 ZINC000252621082 571288253 /nfs/dbraw/zinc/28/82/53/571288253.db2.gz MSJYPRMNCZUDFI-UHFFFAOYSA-N 0 0 352.478 6.149 50 30 FKEARN O=[N+]([O-])c1ccc(-c2ccc(N=Cc3c(O)ccc4ccccc34)cc2)cc1 ZINC000252621613 571288279 /nfs/dbraw/zinc/28/82/79/571288279.db2.gz NCUMXWVLFJUMEX-UHFFFAOYSA-N 0 0 368.392 5.871 50 30 FKEARN CC(=Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N)c1ccc(C)o1 ZINC000252622005 571288200 /nfs/dbraw/zinc/28/82/00/571288200.db2.gz NMIKFJVONSKILC-UHFFFAOYSA-N 0 0 366.420 6.527 50 30 FKEARN COc1ccc(N=C2S/C(=C\c3cccs3)C(=O)N2CC(C)C)cc1 ZINC000252622456 524448503 /nfs/dbraw/zinc/44/85/03/524448503.db2.gz NVTXFIZIPZQLGF-JWZKOSBISA-N 0 0 372.515 5.017 50 30 FKEARN Cc1nn(-c2ccccc2)c(Cl)c1C=NNc1ccc2ccccc2c1 ZINC000252622569 571288383 /nfs/dbraw/zinc/28/83/83/571288383.db2.gz NYHLAZFBZYQBCL-UHFFFAOYSA-N 0 0 360.848 5.433 50 30 FKEARN COc1cccc(C=Nc2cc(-c3nc4ccc(C)cc4o3)ccc2C)c1O ZINC000252622764 571288359 /nfs/dbraw/zinc/28/83/59/571288359.db2.gz OBZWKYSSUOJKNO-UHFFFAOYSA-N 0 0 372.424 5.576 50 30 FKEARN CCc1c(C)sc(N=Cc2ccccc2)c1C(=O)NC1CCCCC1 ZINC000252622854 571288537 /nfs/dbraw/zinc/28/85/37/571288537.db2.gz OEGDGGLKVNONCM-UHFFFAOYSA-N 0 0 354.519 5.432 50 30 FKEARN Clc1ccc(-c2ccc(C=Nc3ccc4c(c3)oc3ccccc34)o2)cc1 ZINC000252623049 571288380 /nfs/dbraw/zinc/28/83/80/571288380.db2.gz OIVLLROHIJRQAF-UHFFFAOYSA-N 0 0 371.823 7.250 50 30 FKEARN Cc1ccc(C(=O)C(C#N)=NNc2c(Cl)cc(Cl)cc2Cl)cc1 ZINC000252623123 571288530 /nfs/dbraw/zinc/28/85/30/571288530.db2.gz OKQFNPZTAJFJGH-UHFFFAOYSA-N 0 0 366.635 5.130 50 30 FKEARN CCCN1C(=O)/C(=C/c2ccc(OC)c(C)c2)SC1=Nc1ccccc1 ZINC000252623349 571288525 /nfs/dbraw/zinc/28/85/25/571288525.db2.gz OOZYHIDNZNLPLQ-IMQDXXIXSA-N 0 0 366.486 5.018 50 30 FKEARN CCOc1cccc(C=Nc2cc(-c3nc4ccccc4o3)ccc2C)c1O ZINC000252623467 571288527 /nfs/dbraw/zinc/28/85/27/571288527.db2.gz OSGCKKIYIYIHJI-UHFFFAOYSA-N 0 0 372.424 5.658 50 30 FKEARN Clc1ccc(C=Nc2c(-c3ccco3)nc3ccccn32)c(Cl)c1 ZINC000252623756 571288455 /nfs/dbraw/zinc/28/84/55/571288455.db2.gz OYOITFUXAQGOIF-UHFFFAOYSA-N 0 0 356.212 5.652 50 30 FKEARN CCOc1cccc(C=Nc2cccc(-c3nc4ccccc4o3)c2)c1O ZINC000252624176 571288744 /nfs/dbraw/zinc/28/87/44/571288744.db2.gz PIKCXAGVBKQXQM-UHFFFAOYSA-N 0 0 358.397 5.350 50 30 FKEARN CCOc1cccc(C=Nc2ccc3oc(-c4ccccc4C)nc3c2)c1O ZINC000252624194 571288668 /nfs/dbraw/zinc/28/86/68/571288668.db2.gz PIRUJMVLFOAKPS-UHFFFAOYSA-N 0 0 372.424 5.658 50 30 FKEARN Cc1ccc2oc(-c3ccc(N=C/C=C/c4ccccc4)cc3O)nc2c1 ZINC000252624343 571288753 /nfs/dbraw/zinc/28/87/53/571288753.db2.gz PLXZYTCQZULFPX-TXCMASFXSA-N 0 0 354.409 5.925 50 30 FKEARN Cc1ccc2oc(-c3ccc(N=C/C=C\c4ccccc4)cc3O)nc2c1 ZINC000252624344 571288678 /nfs/dbraw/zinc/28/86/78/571288678.db2.gz PLXZYTCQZULFPX-VZQSFYQKSA-N 0 0 354.409 5.925 50 30 FKEARN CC(C)(C)c1cc(C=Nc2nc3ccccc3s2)c(O)c(C(C)(C)C)c1 ZINC000252624512 571288811 /nfs/dbraw/zinc/28/88/11/571288811.db2.gz PPGVFYDSILRJGW-UHFFFAOYSA-N 0 0 366.530 6.348 50 30 FKEARN Oc1ccc(Cl)cc1C=Nc1ccc(-c2nc3ccccc3o2)c(O)c1 ZINC000252624587 571288773 /nfs/dbraw/zinc/28/87/73/571288773.db2.gz PRGTUKJRWRAOCC-UHFFFAOYSA-N 0 0 364.788 5.310 50 30 FKEARN c1ccc(N=C2Sc3nc4ccccc4n3C2=Nc2ccccc2)cc1 ZINC000252624999 571288826 /nfs/dbraw/zinc/28/88/26/571288826.db2.gz QARQZVIMLXBPQD-UHFFFAOYSA-N 0 0 354.438 5.451 50 30 FKEARN O=[N+]([O-])c1ccc(C=Nc2ccc3oc(-c4ccccc4Cl)nc3c2)o1 ZINC000252625034 571288777 /nfs/dbraw/zinc/28/87/77/571288777.db2.gz QBKZWDJZOXFXOA-UHFFFAOYSA-N 0 0 367.748 5.400 50 30 FKEARN Brc1ccc(C=Nc2c(-c3ccco3)nc3ccccn32)cc1 ZINC000252625253 571288975 /nfs/dbraw/zinc/28/89/75/571288975.db2.gz QFZHXLIDDYULQF-UHFFFAOYSA-N 0 0 366.218 5.107 50 30 FKEARN COc1ccccc1-n1cnc2cc(N=Cc3c[nH]c4ccccc34)ccc21 ZINC000252625322 571288979 /nfs/dbraw/zinc/28/89/79/571288979.db2.gz QHMNKRKWQWIPHX-UHFFFAOYSA-N 0 0 366.424 5.266 50 30 FKEARN CC(C)(C)c1ccc(C(C)(C)C)c(N=Cc2c(O)ccc3ccccc32)c1 ZINC000252625985 571289021 /nfs/dbraw/zinc/28/90/21/571289021.db2.gz QTKBXMTVLSGLRS-UHFFFAOYSA-N 0 0 359.513 6.891 50 30 FKEARN Cc1ccc(N=Cc2ccc(Cl)c([N+](=O)[O-])c2)cc1Br ZINC000252626038 571289042 /nfs/dbraw/zinc/28/90/42/571289042.db2.gz QUXJYFJZKYFHSY-UHFFFAOYSA-N 0 0 353.603 5.070 50 30 FKEARN Clc1ccc(-c2csc(N=NCc3cccs3)n2)c(Cl)c1 ZINC000252626238 571289075 /nfs/dbraw/zinc/28/90/75/571289075.db2.gz QYWXPZMVCMRXOL-UHFFFAOYSA-N 0 0 354.287 5.624 50 30 FKEARN COc1ccc(-c2nc3cc(N=Cc4ccc([N+](=O)[O-])cc4)ccc3o2)cc1 ZINC000252626878 571289139 /nfs/dbraw/zinc/28/91/39/571289139.db2.gz RHMNDLKZTQUNLD-UHFFFAOYSA-N 0 0 373.368 5.162 50 30 FKEARN Cc1cccc(C)c1N=C1S/C(=C\c2c[nH]c3ccccc23)C(=O)N1C ZINC000252627036 571289194 /nfs/dbraw/zinc/28/91/94/571289194.db2.gz RKRUBLFSINPGIC-DDOGFQLYSA-N 0 0 361.470 5.019 50 30 FKEARN Cc1cccc(C)c1N=C1S/C(=C/c2c[nH]c3ccccc23)C(=O)N1C ZINC000252627037 571289201 /nfs/dbraw/zinc/28/92/01/571289201.db2.gz RKRUBLFSINPGIC-ZCXLDBAHSA-N 0 0 361.470 5.019 50 30 FKEARN CCCCCCCCCCCCCCCc1noc2c1C(=NO)CCC2 ZINC000252627140 571289150 /nfs/dbraw/zinc/28/91/50/571289150.db2.gz RNLIKOTUPOSZCH-UHFFFAOYSA-N 0 0 362.558 6.823 50 30 FKEARN CCOc1ccccc1C=Nc1nc2ccccc2n1Cc1ccccc1 ZINC000252627177 571289178 /nfs/dbraw/zinc/28/91/78/571289178.db2.gz ROJYEEUJJTXXAX-UHFFFAOYSA-N 0 0 355.441 5.234 50 30 FKEARN COc1ccc(C(=O)Oc2ccccc2C=Nc2ccc(Cl)cc2)cc1 ZINC000252627203 571289205 /nfs/dbraw/zinc/28/92/05/571289205.db2.gz ROTQELREBYTHLO-UHFFFAOYSA-N 0 0 365.816 5.318 50 30 FKEARN ClC12C[C@@H]3C[C@H](C1)CC(c1ccc(N=Cc4cccs4)cc1)(C3)C2 ZINC000252627279 571289182 /nfs/dbraw/zinc/28/91/82/571289182.db2.gz RQKPBDNYJWVLFP-XBLGPDGASA-N 0 0 355.934 6.328 50 30 FKEARN CCCCCCC(=O)Nc1ccc(N=Cc2ccc(C(C)C)cc2)cc1 ZINC000252627310 571289212 /nfs/dbraw/zinc/28/92/12/571289212.db2.gz RRLPACWBDWSGOR-UHFFFAOYSA-N 0 0 350.506 6.470 50 30 FKEARN Cc1ccccc1N=C1S/C(=C/c2ccco2)C(=O)N1c1ccccc1C ZINC000252627345 571289186 /nfs/dbraw/zinc/28/91/86/571289186.db2.gz RSKLTAQGJZANMV-GXTKKWAKSA-N 0 0 374.465 5.705 50 30 FKEARN Cc1ccccc1N=C1S/C(=C\c2ccco2)C(=O)N1c1ccccc1C ZINC000252627346 571289199 /nfs/dbraw/zinc/28/91/99/571289199.db2.gz RSKLTAQGJZANMV-HNNYNVTISA-N 0 0 374.465 5.705 50 30 FKEARN Cc1cc(-c2ccccc2)nc(N=NC(C)c2ccc(Cl)c(Cl)c2)n1 ZINC000252627590 571289200 /nfs/dbraw/zinc/28/92/00/571289200.db2.gz RXKOHXCIVJMHHY-UHFFFAOYSA-N 0 0 371.271 5.595 50 30 FKEARN O=[N+]([O-])c1ccc(-c2ccc(N=Cc3ccc(Cl)c(Cl)c3)cc2)cc1 ZINC000252627637 571289148 /nfs/dbraw/zinc/28/91/48/571289148.db2.gz RYLUANKUUVRJLZ-UHFFFAOYSA-N 0 0 371.223 6.319 50 30 FKEARN N#Cc1c2c(sc1N=Cc1ccc(-c3ccccc3Cl)o1)CCC2 ZINC000252627681 571289195 /nfs/dbraw/zinc/28/91/95/571289195.db2.gz RZKVJOOKVABGDB-UHFFFAOYSA-N 0 0 352.846 5.772 50 30 FKEARN O=[N+]([O-])c1ccc(N=C(C#Cc2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000252627820 571289189 /nfs/dbraw/zinc/28/91/89/571289189.db2.gz SCCVZQYXAXVQPF-UHFFFAOYSA-N 0 0 360.800 5.421 50 30 FKEARN COc1ccc(N=Cc2ccc(Sc3cccc4cccnc43)o2)cc1 ZINC000252627827 571289198 /nfs/dbraw/zinc/28/91/98/571289198.db2.gz SCDXIJDSZARIGM-UHFFFAOYSA-N 0 0 360.438 5.738 50 30 FKEARN CCOc1ccc(N=Cc2cccc(OC)c2OCc2ccccc2)cc1 ZINC000252627833 571289131 /nfs/dbraw/zinc/28/91/31/571289131.db2.gz SCGMJXAONHKUCQ-UHFFFAOYSA-N 0 0 361.441 5.424 50 30 FKEARN CC(=O)Oc1ccc2ccccc2c1C=Nc1ccc(Cl)cc1Cl ZINC000252627967 571289184 /nfs/dbraw/zinc/28/91/84/571289184.db2.gz SFDHOKLBQHUGQK-UHFFFAOYSA-N 0 0 358.224 5.823 50 30 FKEARN Cc1cccc(-c2nc3cc(N=Cc4ccc([N+](=O)[O-])cc4)ccc3o2)c1 ZINC000252628197 571289303 /nfs/dbraw/zinc/28/93/03/571289303.db2.gz SKOFHVKNKKBJDN-UHFFFAOYSA-N 0 0 357.369 5.462 50 30 FKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(N=Cc3cc([N+](=O)[O-])cs3)sc2C1 ZINC000252628284 571289320 /nfs/dbraw/zinc/28/93/20/571289320.db2.gz SMPIETSCWJTFFZ-LLVKDONJSA-N 0 0 373.503 5.491 50 30 FKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(N=Cc3cc([N+](=O)[O-])cs3)sc2C1 ZINC000252628285 571289300 /nfs/dbraw/zinc/28/93/00/571289300.db2.gz SMPIETSCWJTFFZ-NSHDSACASA-N 0 0 373.503 5.491 50 30 FKEARN Cc1ccc2nc(-c3ccc(N=Cc4ccc5c(c4)OCO5)cc3)oc2c1 ZINC000252628332 571289390 /nfs/dbraw/zinc/28/93/90/571289390.db2.gz SNWOSNMJAKIYAJ-UHFFFAOYSA-N 0 0 356.381 5.283 50 30 FKEARN N=C1N(c2ccccc2)C(=S)C(=Nc2ccccc2)N1c1ccccc1 ZINC000252628363 526839390 /nfs/dbraw/zinc/83/93/90/526839390.db2.gz SOLNIHCIAWZQOF-UHFFFAOYSA-N 0 0 356.454 5.006 50 30 FKEARN O=C1/C(=C/c2cccnc2)SC(=Nc2ccccc2)N1C1CCCCC1 ZINC000252628595 571289386 /nfs/dbraw/zinc/28/93/86/571289386.db2.gz STTITXBGKXWPOC-VXMHBOQLSA-N 0 0 363.486 5.018 50 30 FKEARN Cc1cc2nc(-c3cccc(N=Cc4cccc(C)c4O)c3)oc2c(C)c1 ZINC000252628742 571289400 /nfs/dbraw/zinc/28/94/00/571289400.db2.gz SWRWPOJHMNBUQS-UHFFFAOYSA-N 0 0 356.425 5.876 50 30 FKEARN O=C1/C(=C\c2ccc(F)cc2)SC(=Nc2ccccc2)N1c1ccccc1 ZINC000252629111 571289412 /nfs/dbraw/zinc/28/94/12/571289412.db2.gz TYTGDSMNTJULHF-HJFHBGSISA-N 0 0 374.440 5.634 50 30 FKEARN O=C1/C(=C/c2ccc(F)cc2)SC(=Nc2ccccc2)N1c1ccccc1 ZINC000252629112 571289387 /nfs/dbraw/zinc/28/93/87/571289387.db2.gz TYTGDSMNTJULHF-OIBHPTRJSA-N 0 0 374.440 5.634 50 30 FKEARN Cc1ccc(N=Cc2cc3ccccc3nc2Sc2ccc(C)cc2)cc1 ZINC000252629116 571289392 /nfs/dbraw/zinc/28/93/92/571289392.db2.gz TYUZFJBMUPNAAS-UHFFFAOYSA-N 0 0 368.505 6.753 50 30 FKEARN CCN(CC)c1ccc(C=Nc2ccc(C)cc2C(=O)c2ccccc2)cc1 ZINC000252629193 571289406 /nfs/dbraw/zinc/28/94/06/571289406.db2.gz UAUDDXVZLIJBHV-UHFFFAOYSA-N 0 0 370.496 5.823 50 30 FKEARN CCn1c2ccccc2c2cc(C=[NH+][N-]c3nc4ccccc4s3)ccc21 ZINC000252629724 571289403 /nfs/dbraw/zinc/28/94/03/571289403.db2.gz UMKZWFWYDWKXCL-UHFFFAOYSA-N 0 0 370.481 5.870 50 30 FKEARN N#Cc1c2c(sc1N=Cc1ccc(-c3ccc(Cl)cc3)o1)CCCC2 ZINC000252629760 571289426 /nfs/dbraw/zinc/28/94/26/571289426.db2.gz UNEROCQAAHNEMM-UHFFFAOYSA-N 0 0 366.873 6.163 50 30 FKEARN Cc1ccccc1NN=Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000252629888 571289555 /nfs/dbraw/zinc/28/95/55/571289555.db2.gz UPQLSYHZNKSOPZ-UHFFFAOYSA-N 0 0 355.235 5.464 50 30 FKEARN Oc1cc2ccccc2cc1C=Nc1ccc2nn(-c3ccccc3)nc2c1 ZINC000252630001 571289523 /nfs/dbraw/zinc/28/95/23/571289523.db2.gz USEHMQMRKMJZHY-UHFFFAOYSA-N 0 0 364.408 5.030 50 30 FKEARN CCOc1cc(C=Nc2ccccc2OC)ccc1OCc1ccccc1 ZINC000252630137 571289547 /nfs/dbraw/zinc/28/95/47/571289547.db2.gz UVIPZRDVULNBRO-UHFFFAOYSA-N 0 0 361.441 5.424 50 30 FKEARN COc1ccccc1C=Nc1ccc(O)c(-c2nc3ccccc3s2)c1 ZINC000252630501 571289527 /nfs/dbraw/zinc/28/95/27/571289527.db2.gz VAWVJSNCOZLRRH-UHFFFAOYSA-N 0 0 360.438 5.428 50 30 FKEARN CCOc1ccc(C=Nc2sc3c(c2C#N)CCCC3)cc1OCC ZINC000252630508 571289522 /nfs/dbraw/zinc/28/95/22/571289522.db2.gz VBCCULYKMZZEGL-UHFFFAOYSA-N 0 0 354.475 5.047 50 30 FKEARN Cc1cc2c(cn1)C(=Nc1ccc3c(c1)Cc1ccccc1-3)c1ccccc1-2 ZINC000252630661 571289511 /nfs/dbraw/zinc/28/95/11/571289511.db2.gz VCPWVQTYKYTMMM-UHFFFAOYSA-N 0 0 358.444 6.111 50 30 FKEARN Clc1cccc(C=Nc2cccc(-c3nc4ccccc4o3)c2)c1Cl 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O=C(CCC1CCCC1)O[C@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000328592382 571323655 /nfs/dbraw/zinc/32/36/55/571323655.db2.gz OBTOBGKTOSXRIN-QFIPXVFZSA-N 0 0 365.473 5.398 50 30 FKEARN CC[C@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1 ZINC000328592480 571323631 /nfs/dbraw/zinc/32/36/31/571323631.db2.gz WFZXQUNSXPVZOD-NRFANRHFSA-N 0 0 373.452 5.429 50 30 FKEARN CC[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1 ZINC000328592481 571323591 /nfs/dbraw/zinc/32/35/91/571323591.db2.gz WFZXQUNSXPVZOD-OAQYLSRUSA-N 0 0 373.452 5.429 50 30 FKEARN C[C@H](NC(=O)c1cnc(Br)s1)c1cccc2ccccc21 ZINC000328592534 571323627 /nfs/dbraw/zinc/32/36/27/571323627.db2.gz MULOOKGOMJMERN-JTQLQIEISA-N 0 0 361.264 5.125 50 30 FKEARN C[C@@H](NC(=O)c1cnc(Br)s1)c1cccc2ccccc21 ZINC000328592535 571323632 /nfs/dbraw/zinc/32/36/32/571323632.db2.gz MULOOKGOMJMERN-SNVBAGLBSA-N 0 0 361.264 5.125 50 30 FKEARN CCCCCC(=O)NCc1cccc2c1CCCN2C(=O)OC(C)(C)C ZINC000328592991 571323613 /nfs/dbraw/zinc/32/36/13/571323613.db2.gz 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