smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCOC(=O)C1C(C)=NC(=O)N[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000004845108 210297547 /nfs/dbraw/zinc/29/75/47/210297547.db2.gz KUYVLBRFIIEXMG-MRXNPFEDSA-N 0 1 328.412 3.341 50 30 EGEAMN Cc1ccc(C(=O)ONC(=N)Cc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000013635719 258056086 /nfs/dbraw/zinc/05/60/86/258056086.db2.gz IUHWGWXSXUCYMP-UHFFFAOYSA-N 0 1 347.758 3.228 50 30 EGEAMN Cc1ccccc1-c1n[nH]c(=S)n1N=Cc1ccc(O)cc1O ZINC000001260504 452649288 /nfs/dbraw/zinc/64/92/88/452649288.db2.gz YMNINRDDCPNAGD-RQZCQDPDSA-N 0 1 326.381 3.210 50 30 EGEAMN COc1ccc(C=NN=c2[nH]c3ccccc3[nH]2)c(OC)c1OC ZINC000005455111 452875160 /nfs/dbraw/zinc/87/51/60/452875160.db2.gz UJLHGUOSFNLMBK-VCHYOVAHSA-N 0 1 326.356 3.035 50 30 EGEAMN CCOc1cc(C=Nn2c(CC)n[nH]c2=S)cc(Cl)c1O ZINC000006519858 452950165 /nfs/dbraw/zinc/95/01/65/452950165.db2.gz FBVARRJFERGZJQ-VIZOYTHASA-N 0 1 326.809 3.143 50 30 EGEAMN N#Cc1ccccc1CN1CC[C@@H](CNC(=O)Nc2ccccc2)C1 ZINC000067727203 453960630 /nfs/dbraw/zinc/96/06/30/453960630.db2.gz BZUFDKFZKJHBEK-INIZCTEOSA-N 0 1 334.423 3.202 50 30 EGEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102927789 454527939 /nfs/dbraw/zinc/52/79/39/454527939.db2.gz PIHRJTYTXMMHQA-DPEHCCBOSA-N 0 1 327.767 3.358 50 30 EGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N[C@H]2c2ccc(Cl)cc2)cc1 ZINC000104086410 454574521 /nfs/dbraw/zinc/57/45/21/454574521.db2.gz ABGGTNMUHGQYRI-IDTYTIONSA-N 0 1 343.766 3.058 50 30 EGEAMN CCOC(=O)C(N=Nc1ccc(SC(F)(F)F)cc1)C(C)=O ZINC000016134120 1291167430 /nfs/dbraw/zinc/16/74/30/1291167430.db2.gz XJDQHFBOMYBVAU-WQRHYEAKSA-N 0 1 334.319 3.219 50 30 EGEAMN C=CCOc1cccc(C(=O)N2CCN(CC3CCCC3)CC2)c1 ZINC000820494484 1319899588 /nfs/dbraw/zinc/89/95/88/1319899588.db2.gz BFXUKHMCVOYDTH-UHFFFAOYSA-N 0 1 328.456 3.199 50 30 EGEAMN CCn1cc(CN2CCC([C@@H](O)Cc3ccccc3)CC2)cc1C#N ZINC000072427196 203221425 /nfs/dbraw/zinc/22/14/25/203221425.db2.gz XVVWMOLNTVEKTB-NRFANRHFSA-N 0 1 337.467 3.195 50 30 EGEAMN C=CCOc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1 ZINC000008991125 258018219 /nfs/dbraw/zinc/01/82/19/258018219.db2.gz FANOEWKNHRDCRL-SFHVURJKSA-N 0 1 340.423 3.411 50 30 EGEAMN CS[C@H](C)Cc1c(C#N)c(N)nc2c1CN(C1CCCC1)CC2 ZINC000072165627 278159147 /nfs/dbraw/zinc/15/91/47/278159147.db2.gz OQYNAGYGZCPHEF-GFCCVEGCSA-N 0 1 330.501 3.130 50 30 EGEAMN COc1ccc(OC)c(C=Nn2c(=S)[nH]nc2-c2ccco2)c1 ZINC000001300657 452653203 /nfs/dbraw/zinc/65/32/03/452653203.db2.gz KFYSXAOZGCZKFZ-CXUHLZMHSA-N 0 1 330.369 3.100 50 30 EGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N[C@H]2c2ccc(Cl)cc2)cc1 ZINC000016971883 453625276 /nfs/dbraw/zinc/62/52/76/453625276.db2.gz XILJOPTZYIHMRD-HNNXBMFYSA-N 0 1 343.766 3.215 50 30 EGEAMN CCN(CCc1nc2ccc(C)cc2[nH]1)C(=O)c1ccccc1C#N ZINC000055281625 453974119 /nfs/dbraw/zinc/97/41/19/453974119.db2.gz OPNDUNDARCPYSD-UHFFFAOYSA-N 0 1 332.407 3.448 50 30 EGEAMN O=C(/C=C/N1CCN(c2ccccc2F)CC1)c1ccccc1O ZINC000096137230 454291830 /nfs/dbraw/zinc/29/18/30/454291830.db2.gz HTVRDURQPFUIHT-MDZDMXLPSA-N 0 1 326.371 3.050 50 30 EGEAMN C=CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2cnc(CC3CCCC3)[nH]2)C1 ZINC000092062021 454511076 /nfs/dbraw/zinc/51/10/76/454511076.db2.gz IFSKGKYTJHMISS-IBGZPJMESA-N 0 1 331.460 3.385 50 30 EGEAMN C=CC[C@]1(C(=O)[O-])CCC[N@H+](Cc2c[nH]c(CC3CCCC3)n2)C1 ZINC000092062021 454511082 /nfs/dbraw/zinc/51/10/82/454511082.db2.gz IFSKGKYTJHMISS-IBGZPJMESA-N 0 1 331.460 3.385 50 30 EGEAMN C=CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2c[nH]c(CC3CCCC3)n2)C1 ZINC000092062021 454511088 /nfs/dbraw/zinc/51/10/88/454511088.db2.gz IFSKGKYTJHMISS-IBGZPJMESA-N 0 1 331.460 3.385 50 30 EGEAMN Cc1ccc2nc(CCCNC(=O)N3CCC(C#N)CC3)[nH]c2c1C ZINC000584896514 459820901 /nfs/dbraw/zinc/82/09/01/459820901.db2.gz KOXZQJPKNKLSPN-UHFFFAOYSA-N 0 1 339.443 3.058 50 30 EGEAMN C=C(C)CNc1ccc(C(=O)N2CCN(C(C)C)[C@@H](CC)C2)cn1 ZINC000012429790 211378497 /nfs/dbraw/zinc/37/84/97/211378497.db2.gz RWYSMSSHZOURRT-KRWDZBQOSA-N 0 1 330.476 3.014 50 30 EGEAMN OCC#Cc1csc(CN(Cc2ccsc2)C[C@@H]2CCCO2)c1 ZINC000055074669 258014994 /nfs/dbraw/zinc/01/49/94/258014994.db2.gz YKTVVEVZBWKZMU-KRWDZBQOSA-N 0 1 347.505 3.335 50 30 EGEAMN N#Cc1c(=O)[nH]cc(/C=N/N=C/c2ccccc2)c1Nc1ccccc1 ZINC000008691943 453221515 /nfs/dbraw/zinc/22/15/15/453221515.db2.gz IQINVWKZELEQSD-GKZLBNLFSA-N 0 1 341.374 3.443 50 30 EGEAMN C/C(=N\O)C1=NO[C@H](CNc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000100067474 454463617 /nfs/dbraw/zinc/46/36/17/454463617.db2.gz BZYBVEXQKZBCRX-QOZVTFESSA-N 0 1 336.701 3.161 50 30 EGEAMN N=C(Nc1cccc(Cl)c1)Nc1nc(-c2ccccc2)cc(=O)[nH]1 ZINC000020064258 202030763 /nfs/dbraw/zinc/03/07/63/202030763.db2.gz UXMAJEXFVXBZSF-UHFFFAOYSA-N 0 1 339.786 3.149 50 30 EGEAMN C=C(C)COc1cccc(C(=O)N2CC(N3CCCC[C@H]3C)C2)c1 ZINC000055036751 258014675 /nfs/dbraw/zinc/01/46/75/258014675.db2.gz BDAQQVLAQZQZGU-MRXNPFEDSA-N 0 1 328.456 3.340 50 30 EGEAMN COc1cc(C=Nn2c(=S)[nH]nc2-c2ccccc2)ccc1O ZINC000001239452 452649215 /nfs/dbraw/zinc/64/92/15/452649215.db2.gz ULUUPBXLBTXAFU-LICLKQGHSA-N 0 1 326.381 3.204 50 30 EGEAMN COc1cc(C=Nc2n[nH]c(=S)n2Cc2ccccc2)ccc1O ZINC000002392028 452694595 /nfs/dbraw/zinc/69/45/95/452694595.db2.gz PQLGMQSACXVHDE-VCHYOVAHSA-N 0 1 340.408 3.454 50 30 EGEAMN COc1cc(OC)c(OC)cc1C=NN=c1[nH]c2ccccc2[nH]1 ZINC000005070835 452835913 /nfs/dbraw/zinc/83/59/13/452835913.db2.gz CCVUKAHKCIVZHK-VCHYOVAHSA-N 0 1 326.356 3.035 50 30 EGEAMN CCc1ccc(-c2c[nH]nc2C=Nn2c(=S)[nH]nc2C(F)F)cc1 ZINC000008338695 453194093 /nfs/dbraw/zinc/19/40/93/453194093.db2.gz ZUUCASZFFCLTAL-UFWORHAWSA-N 0 1 348.382 3.339 50 30 EGEAMN CCNC(=S)N=C(Nc1ccccc1)Nc1nc(C)cc(C)n1 ZINC000013635754 453475953 /nfs/dbraw/zinc/47/59/53/453475953.db2.gz MVXBGGZXULXCRT-UHFFFAOYSA-N 0 1 328.445 3.088 50 30 EGEAMN CCc1nc(C)c(-c2cc(-c3ccc(OC)cc3)nc(N)c2C#N)[nH]1 ZINC000067743699 453962172 /nfs/dbraw/zinc/96/21/72/453962172.db2.gz LEFUWFSPRZSIDH-UHFFFAOYSA-N 0 1 333.395 3.472 50 30 EGEAMN C=CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2cnc(CC3CCCC3)[nH]2)C1 ZINC000092062022 454511198 /nfs/dbraw/zinc/51/11/98/454511198.db2.gz IFSKGKYTJHMISS-LJQANCHMSA-N 0 1 331.460 3.385 50 30 EGEAMN C=CC[C@@]1(C(=O)[O-])CCC[N@H+](Cc2c[nH]c(CC3CCCC3)n2)C1 ZINC000092062022 454511202 /nfs/dbraw/zinc/51/12/02/454511202.db2.gz IFSKGKYTJHMISS-LJQANCHMSA-N 0 1 331.460 3.385 50 30 EGEAMN C=CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2c[nH]c(CC3CCCC3)n2)C1 ZINC000092062022 454511207 /nfs/dbraw/zinc/51/12/07/454511207.db2.gz IFSKGKYTJHMISS-LJQANCHMSA-N 0 1 331.460 3.385 50 30 EGEAMN N#Cc1cccc(CN2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccc2)C3)c1 ZINC000092065770 454512244 /nfs/dbraw/zinc/51/22/44/454512244.db2.gz LUGNCDYDABEKBM-TZIWHRDSSA-N 0 1 345.446 3.295 50 30 EGEAMN COc1ccccc1CC(=O)ONC(=N)Cc1cccc2ccccc21 ZINC000018173059 524387751 /nfs/dbraw/zinc/38/77/51/524387751.db2.gz HLPHIVACDBFVIE-UHFFFAOYSA-N 0 1 348.402 3.449 50 30 EGEAMN COc1ccc(OC)c(/C=C/C(=O)c2c(O)cc(OC)cc2OC)c1 ZINC000048057042 524800714 /nfs/dbraw/zinc/80/07/14/524800714.db2.gz RHCLDCCTKQILMS-FNORWQNLSA-N 0 1 344.363 3.323 50 30 EGEAMN N=C(Cc1ccc([N+](=O)[O-])cc1)NOC(=O)c1cccc2ccccc21 ZINC000004679771 526813926 /nfs/dbraw/zinc/81/39/26/526813926.db2.gz NENWVECFLRLQNR-UHFFFAOYSA-N 0 1 349.346 3.420 50 30 EGEAMN O=c1c(/C=N/O)c(Sc2ccc(Cl)cc2)nc2ccccn12 ZINC000001481411 452667348 /nfs/dbraw/zinc/66/73/48/452667348.db2.gz SZBFRBXTQCBPTG-RQZCQDPDSA-N 0 1 331.784 3.307 50 30 EGEAMN Cc1cccc(/C=N/N=C2\NC(=O)C(Cc3cccc(C)c3)S2)c1 ZINC000004964800 452828231 /nfs/dbraw/zinc/82/82/31/452828231.db2.gz CQRANTBCPWKHTN-XNHPLOEXSA-N 0 1 337.448 3.468 50 30 EGEAMN Cc1cc(C2N=NC(=S)N2N=Cc2cccc3ccccc23)[nH]n1 ZINC000005625935 452890145 /nfs/dbraw/zinc/89/01/45/452890145.db2.gz ZFNHUWDGUYGHMM-VCHYOVAHSA-N 0 1 334.408 3.301 50 30 EGEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N[C@H]1c1ccc(F)cc1 ZINC000006493893 452947044 /nfs/dbraw/zinc/94/70/44/452947044.db2.gz HPIRLVOOCKCIDH-AWEZNQCLSA-N 0 1 331.730 3.345 50 30 EGEAMN N#Cc1c(=O)[nH]c(SCc2ccc(F)cc2)nc1-c1ccco1 ZINC000018219310 453648591 /nfs/dbraw/zinc/64/85/91/453648591.db2.gz DXRLBFPEYLCEPQ-UHFFFAOYSA-N 0 1 327.340 3.333 50 30 EGEAMN Cc1ccc2nc(CN3CCc4c(cnc(C)c4C#N)C3)[nH]c2c1C ZINC000067541285 453940930 /nfs/dbraw/zinc/94/09/30/453940930.db2.gz IXHJJXSVJFPAJC-UHFFFAOYSA-N 0 1 331.423 3.313 50 30 EGEAMN CC1S/C(=N\N=C\c2ccccc2OCc2ccccc2)NC1=O ZINC000005233991 452850637 /nfs/dbraw/zinc/85/06/37/452850637.db2.gz SJXSDQHWOJJJBO-OTGIAGGSSA-N 0 1 339.420 3.207 50 30 EGEAMN COc1ccc(/N=C2/NC(=O)C(Cc3ccc(F)cc3)S2)cc1 ZINC000016739809 453621324 /nfs/dbraw/zinc/62/13/24/453621324.db2.gz JYWICGJGYDQQGN-OAHLLOKOSA-N 0 1 330.384 3.296 50 30 EGEAMN COc1cccc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)N2C)c1F ZINC000072153082 278005740 /nfs/dbraw/zinc/00/57/40/278005740.db2.gz KHTHRZLATSOQTB-IINYFYTJSA-N 0 1 338.386 3.042 50 30 EGEAMN Cc1cc(O)cc(O)c1C=Nn1c(=S)[nH]nc1-c1ccccc1 ZINC000006556583 452953704 /nfs/dbraw/zinc/95/37/04/452953704.db2.gz QPZNJPSCEOAWLN-RQZCQDPDSA-N 0 1 326.381 3.210 50 30 EGEAMN COc1cc2c(cc1OC)[C@@H]1C/C(=N\O)[C@@H](CC(C)C)CN1CC2 ZINC000012401412 453359526 /nfs/dbraw/zinc/35/95/26/453359526.db2.gz APWMOWABPJKXTE-ZDWDIULSSA-N 0 1 332.444 3.499 50 30 EGEAMN Cc1cccc(CC2S/C(=N\N=C\c3ccccc3F)NC2=O)c1 ZINC000018209387 453648823 /nfs/dbraw/zinc/64/88/23/453648823.db2.gz NXPZKOGKJUYCBP-MBTVCVBTSA-N 0 1 341.411 3.298 50 30 EGEAMN Cc1ccoc1C(=O)NC[C@@H]1CCCN(Cc2ccccc2C#N)C1 ZINC000067773857 453965064 /nfs/dbraw/zinc/96/50/64/453965064.db2.gz SXOVOJGGLUSCAW-INIZCTEOSA-N 0 1 337.423 3.102 50 30 EGEAMN N#Cc1ccccc1CN1CCC2(C[C@H](c3ccccc3)C(=O)N2)CC1 ZINC000095357037 454197433 /nfs/dbraw/zinc/19/74/33/454197433.db2.gz GNPZZDIGNSJZHT-HXUWFJFHSA-N 0 1 345.446 3.197 50 30 EGEAMN NS(=O)(=O)c1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1 ZINC000096068499 454278722 /nfs/dbraw/zinc/27/87/22/454278722.db2.gz ZBUILKZAUXTOSA-REZTVBANSA-N 0 1 345.207 3.097 50 30 EGEAMN C=CCc1cc(CN2C[C@H]3CC[C@@H](C2)C(=O)N3CCC)ccc1OC ZINC000091756577 454466162 /nfs/dbraw/zinc/46/61/62/454466162.db2.gz MUDVXQVKUYIVQB-RBUKOAKNSA-N 0 1 342.483 3.257 50 30 EGEAMN CCOc1cc(C=Nc2nnc[nH]2)ccc1OCc1ccccc1C#N ZINC000000459635 520644546 /nfs/dbraw/zinc/64/45/46/520644546.db2.gz DRXRBOJEDFFAGM-SRZZPIQSSA-N 0 1 347.378 3.405 50 30 EGEAMN N#Cc1ccc(NC[C@@H]2CCN(Cc3nc4ccccc4o3)C2)nc1 ZINC000065478004 201153794 /nfs/dbraw/zinc/15/37/94/201153794.db2.gz STQVUKFXGMWXLK-HNNXBMFYSA-N 0 1 333.395 3.028 50 30 EGEAMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C(=O)c2ccccc2C1=O ZINC000100193826 276187098 /nfs/dbraw/zinc/18/70/98/276187098.db2.gz VAFQYLOIORCNPM-MRXNPFEDSA-N 0 1 330.343 3.031 50 30 EGEAMN COc1ccc(C=Nn2c(=S)[nH]nc2-c2ccco2)c(OC)c1 ZINC000001261073 452650805 /nfs/dbraw/zinc/65/08/05/452650805.db2.gz GBOXTPWQTKEMOL-CXUHLZMHSA-N 0 1 330.369 3.100 50 30 EGEAMN COc1cccc(-c2n[nH]c(=S)n2N=Cc2ccc(O)cc2)c1 ZINC000001276550 452651808 /nfs/dbraw/zinc/65/18/08/452651808.db2.gz NMDVVMONJYRKPO-LICLKQGHSA-N 0 1 326.381 3.204 50 30 EGEAMN O=[N+]([O-])c1ccc(C=Nn2c(=S)[nH]nc2-c2ccccc2)cc1 ZINC000013111800 453445165 /nfs/dbraw/zinc/44/51/65/453445165.db2.gz TTZIAKNUUKCNGO-MHWRWJLKSA-N 0 1 325.353 3.398 50 30 EGEAMN N#CC(=NNc1ccccc1[N+](=O)[O-])C(=O)c1ccc(Cl)cc1 ZINC000015219709 453562206 /nfs/dbraw/zinc/56/22/06/453562206.db2.gz FQUQHLLOPSTMLR-UYRXBGFRSA-N 0 1 328.715 3.423 50 30 EGEAMN Cc1ccc(/C=N/N=C2\NC(=O)C(Cc3ccc(C)cc3)S2)cc1 ZINC000018209463 453648192 /nfs/dbraw/zinc/64/81/92/453648192.db2.gz JSUBEKSQHNZZRZ-XNHPLOEXSA-N 0 1 337.448 3.468 50 30 EGEAMN C=C(C)CN1CCN(c2cc(C)c(C#N)c3nc4ccccc4n32)CC1 ZINC000052688873 453842201 /nfs/dbraw/zinc/84/22/01/453842201.db2.gz FRNZPOONXMOPOW-UHFFFAOYSA-N 0 1 345.450 3.366 50 30 EGEAMN N=C(Cc1ccc([N+](=O)[O-])cc1)NOC(=O)CCC1CCCCC1 ZINC000004845084 526815335 /nfs/dbraw/zinc/81/53/35/526815335.db2.gz INKQKVAFFIXPLY-UHFFFAOYSA-N 0 1 333.388 3.313 50 30 EGEAMN C=CCn1nc(C(=O)[O-])c2c1CC[C@H]([N@@H+](C)Cc1sccc1C)C2 ZINC000067910121 215248655 /nfs/dbraw/zinc/24/86/55/215248655.db2.gz UXMBBQJBMXUAAF-ZDUSSCGKSA-N 0 1 345.468 3.127 50 30 EGEAMN Cc1ccc2nc(C3=C(N)N(c4cccc(C)c4C)CC3=O)[nH]c2c1 ZINC000008844100 211010965 /nfs/dbraw/zinc/01/09/65/211010965.db2.gz UOHUJJJPSCMQRP-UHFFFAOYSA-N 0 1 332.407 3.205 50 30 EGEAMN O=c1[nH]c2ccc(C#CCN3CCC(Cc4ccccc4)CC3)cc2[nH]1 ZINC000000023994 208550494 /nfs/dbraw/zinc/55/04/94/208550494.db2.gz JJEXWPHPFZLTCU-UHFFFAOYSA-N 0 1 345.446 3.162 50 30 in-vitro EGEAMN CCCCCCCCNC(=O)Cc1c(O)c2ccccc2[nH]c1=O ZINC000002285822 258049690 /nfs/dbraw/zinc/04/96/90/258049690.db2.gz MKJWCVDVBAHFTE-UHFFFAOYSA-N 0 1 330.428 3.253 50 30 EGEAMN COc1cccc(-c2n[nH]c(=S)n2N=Cc2cccc(O)c2)c1 ZINC000001279570 452650726 /nfs/dbraw/zinc/65/07/26/452650726.db2.gz YSNNCTVBUVISCY-LICLKQGHSA-N 0 1 326.381 3.204 50 30 EGEAMN COc1ccc(-c2cc(C(=O)Nc3ccccc3C#N)[nH]n2)c(OC)c1 ZINC000057412916 454126365 /nfs/dbraw/zinc/12/63/65/454126365.db2.gz RYBAOUMTNKTFEB-UHFFFAOYSA-N 0 1 348.362 3.218 50 30 EGEAMN CCOC(=O)C1=C(C)N=C(/N=C/N(C)C)S[C@H]1c1ccccc1 ZINC000100208414 454465157 /nfs/dbraw/zinc/46/51/57/454465157.db2.gz DIQRXWJXPKXJSU-LZNAANCOSA-N 0 1 331.441 3.258 50 30 EGEAMN COc1ccccc1-c1nc(C#N)c(NCCN2CCCCC2)o1 ZINC000585152361 459831456 /nfs/dbraw/zinc/83/14/56/459831456.db2.gz UBGAWKHYWLADPE-UHFFFAOYSA-N 0 1 326.400 3.120 50 30 EGEAMN C=CCN(Cc1ccc(C)s1)Cc1cccc(OCC(N)=O)c1 ZINC000055108551 518778642 /nfs/dbraw/zinc/77/86/42/518778642.db2.gz LWVUHEBIMDMORB-UHFFFAOYSA-N 0 1 330.453 3.109 50 30 EGEAMN C=CCn1cc(CN2CCC[C@H](c3nc(C(C)C)no3)C2)c(C)n1 ZINC000055404223 519278514 /nfs/dbraw/zinc/27/85/14/519278514.db2.gz YHACWPIZYIEDRK-HNNXBMFYSA-N 0 1 329.448 3.264 50 30 EGEAMN Cc1ccc(C(=N)NOC(=O)c2cccc(Br)c2)cc1 ZINC000004281345 210160599 /nfs/dbraw/zinc/16/05/99/210160599.db2.gz KQRYNHGLVFEFAI-UHFFFAOYSA-N 0 1 333.185 3.235 50 30 EGEAMN N#CC(=NNc1ccc(Br)cc1)C(=N)N1CCCCC1 ZINC000000067833 209398662 /nfs/dbraw/zinc/39/86/62/209398662.db2.gz ZNPZRQKQRKOUDH-QFVQXBGYSA-N 0 1 334.221 3.204 50 30 EGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(C)[C@@H]2c2ccc(C)cc2)cc1 ZINC000005687227 210517956 /nfs/dbraw/zinc/51/79/56/210517956.db2.gz AJOUVKPQJSPPNF-QGZVFWFLSA-N 0 1 337.375 3.212 50 30 EGEAMN O=[N+]([O-])c1cccc(C=NN=c2[nH]c(-c3cccc(O)c3)cs2)c1 ZINC000008513417 258012067 /nfs/dbraw/zinc/01/20/67/258012067.db2.gz YLRSQMHQRWJMAJ-RQZCQDPDSA-N 0 1 340.364 3.292 50 30 EGEAMN C[C@@H]1CCc2c(C#N)c(NC(=O)c3ccc([N+](=O)[O-])o3)sc2C1 ZINC000000572071 452626371 /nfs/dbraw/zinc/62/63/71/452626371.db2.gz HMFHQOHXPARWLI-MRVPVSSYSA-N 0 1 331.353 3.498 50 30 EGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(C)[C@H]2c2cccc(F)c2)cc1 ZINC000005686970 452895905 /nfs/dbraw/zinc/89/59/05/452895905.db2.gz OKKWKPFJLYHHJT-INIZCTEOSA-N 0 1 341.338 3.042 50 30 EGEAMN Cc1cccc(/N=C2/NC(=O)C(Cc3cccc([N+](=O)[O-])c3)S2)c1 ZINC000005784580 452901252 /nfs/dbraw/zinc/90/12/52/452901252.db2.gz JQEYDMDMXFJSMF-HNNXBMFYSA-N 0 1 341.392 3.365 50 30 EGEAMN COc1ccc([C@H]2NC(=O)C(=O)C2C(=O)c2ccc(Cl)cc2)cc1 ZINC000006493623 452947582 /nfs/dbraw/zinc/94/75/82/452947582.db2.gz FPKFDSMSUOTFNG-OAHLLOKOSA-N 0 1 343.766 3.215 50 30 EGEAMN COc1ccc(/N=C2/NC(=O)C(Cc3ccc(F)cc3)S2)cc1 ZINC000016739811 453621673 /nfs/dbraw/zinc/62/16/73/453621673.db2.gz JYWICGJGYDQQGN-HNNXBMFYSA-N 0 1 330.384 3.296 50 30 EGEAMN N=C(NOC(=O)C1CC1)c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000004382623 526807531 /nfs/dbraw/zinc/80/75/31/526807531.db2.gz KGLROPAFYVOXJE-UHFFFAOYSA-N 0 1 344.798 3.493 50 30 EGEAMN NC1=C(c2nc3ccccc3s2)C(=O)CN1N=Cc1ccncc1 ZINC000102728379 219225413 /nfs/dbraw/zinc/22/54/13/219225413.db2.gz FLWMBPAUQWZTGL-ZMHJNSJFSA-N 0 1 335.392 3.287 50 30 EGEAMN C=CC[C@@]1(C(=O)[O-])CCC[N@H+](Cc2ccc(OC)c(COC)c2)C1 ZINC000091829592 218071502 /nfs/dbraw/zinc/07/15/02/218071502.db2.gz KLOJPQFRXJPJHS-LJQANCHMSA-N 0 1 333.428 3.085 50 30 EGEAMN Cc1cccc(/C=N/N=C2\NC(=O)C(Cc3cccc(C)c3)S2)c1 ZINC000004964801 210342403 /nfs/dbraw/zinc/34/24/03/210342403.db2.gz CQRANTBCPWKHTN-RONKMWSCSA-N 0 1 337.448 3.468 50 30 EGEAMN CCOc1ccc(C=Nn2c(=S)[nH]nc2-c2ccco2)cc1OC ZINC000004899375 210316781 /nfs/dbraw/zinc/31/67/81/210316781.db2.gz WMPHJEZAUTVTHD-LICLKQGHSA-N 0 1 344.396 3.490 50 30 EGEAMN COC(=O)c1ccc(C=Nn2c(=S)[nH]nc2-c2ccccc2)cc1 ZINC000001240549 452648373 /nfs/dbraw/zinc/64/83/73/452648373.db2.gz XRPNKWQGSGJMPO-WOJGMQOQSA-N 0 1 338.392 3.276 50 30 EGEAMN N#C[C@@H](c1nc2ccccc2nc1Cl)S(=O)(=O)c1ccccc1 ZINC000003278428 452756757 /nfs/dbraw/zinc/75/67/57/452756757.db2.gz XDUDZMHWULSAEP-AWEZNQCLSA-N 0 1 343.795 3.322 50 30 EGEAMN C=CCc1c(C)nc2c(-c3ccccc3)cnn2c1N1CCN(C)CC1 ZINC000005246468 452852091 /nfs/dbraw/zinc/85/20/91/452852091.db2.gz SHVSBNJXYXEFMU-UHFFFAOYSA-N 0 1 347.466 3.185 50 30 EGEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N[C@@H]1c1ccc(F)cc1 ZINC000006493892 452947295 /nfs/dbraw/zinc/94/72/95/452947295.db2.gz HPIRLVOOCKCIDH-CQSZACIVSA-N 0 1 331.730 3.345 50 30 EGEAMN O=[N+]([O-])c1cccc(C=Nn2c(=S)[nH]nc2-c2ccccc2)c1 ZINC000016946464 453624426 /nfs/dbraw/zinc/62/44/26/453624426.db2.gz AMMASIAPYUZIAZ-MHWRWJLKSA-N 0 1 325.353 3.398 50 30 EGEAMN CC1S/C(=N/N=C/c2ccccc2OCc2ccccc2)NC1=O ZINC000016676895 525621056 /nfs/dbraw/zinc/62/10/56/525621056.db2.gz SJXSDQHWOJJJBO-MDBUFAAASA-N 0 1 339.420 3.207 50 30 EGEAMN C/C(=N\O)C1=NO[C@@H](CNc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000100067469 219089814 /nfs/dbraw/zinc/08/98/14/219089814.db2.gz BZYBVEXQKZBCRX-GWEZJUCKSA-N 0 1 336.701 3.161 50 30 EGEAMN Cc1cnnn1-c1ccc(C(C)N=Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000005073585 210384374 /nfs/dbraw/zinc/38/43/74/210384374.db2.gz KGLXOHXLIZALSS-CPNJWEJPSA-N 0 1 336.355 3.320 50 30 EGEAMN Cn1c(-c2ccc3c(c2)OCO3)cnc1NCc1ccc(C#N)cc1 ZINC000000819158 452637587 /nfs/dbraw/zinc/63/75/87/452637587.db2.gz HXWQKPXWYFXONO-UHFFFAOYSA-N 0 1 332.363 3.300 50 30 EGEAMN COc1ccc(-c2n[nH]c(=S)n2N=Cc2ccccc2O)cc1 ZINC000001246987 452649224 /nfs/dbraw/zinc/64/92/24/452649224.db2.gz OHWQRVAHTCKZNF-LICLKQGHSA-N 0 1 326.381 3.204 50 30 EGEAMN N#Cc1ccccc1CN1CC[C@H](CNC(=O)Nc2ccccc2)C1 ZINC000067727206 215198201 /nfs/dbraw/zinc/19/82/01/215198201.db2.gz BZUFDKFZKJHBEK-MRXNPFEDSA-N 0 1 334.423 3.202 50 30 EGEAMN CCn1cc(CN2CCC(Oc3ccc(OC)cc3)CC2)cc1C#N ZINC000072157840 216047455 /nfs/dbraw/zinc/04/74/55/216047455.db2.gz MTEZFLCWVYPPEJ-UHFFFAOYSA-N 0 1 339.439 3.432 50 30 EGEAMN Cn1cc(CN2CCC([C@@H](O)CCc3ccccc3)CC2)cc1C#N ZINC000072435595 216231289 /nfs/dbraw/zinc/23/12/89/216231289.db2.gz SMFBMJGGWWSCPU-NRFANRHFSA-N 0 1 337.467 3.102 50 30 EGEAMN COc1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(O)cc2)cc1 ZINC000004901368 210315835 /nfs/dbraw/zinc/31/58/35/210315835.db2.gz BZNVVDOHNVVNMT-LICLKQGHSA-N 0 1 326.381 3.204 50 30 EGEAMN Cc1ccc2nc(C3=C(N)N(c4ccc(C)cc4C)CC3=O)[nH]c2c1 ZINC000005182825 281153055 /nfs/dbraw/zinc/15/30/55/281153055.db2.gz CPPSVOMKRDSWSI-UHFFFAOYSA-N 0 1 332.407 3.205 50 30 EGEAMN Cc1ccccc1COc1ccc(C=NNC2=NC(=O)CS2)cc1 ZINC000003255914 452753762 /nfs/dbraw/zinc/75/37/62/452753762.db2.gz QKGRKKICZOHHJX-VXLYETTFSA-N 0 1 339.420 3.127 50 30 EGEAMN COc1cc(OC)cc(C(=O)ONC(=N)Cc2ccc(Cl)cc2)c1 ZINC000004526044 452806108 /nfs/dbraw/zinc/80/61/08/452806108.db2.gz AHYGMFQTVDPEAA-UHFFFAOYSA-N 0 1 348.786 3.029 50 30 EGEAMN COc1nc2ccccc2nc1C(C#N)C(=O)Nc1cccc(C)c1 ZINC000005483266 452877837 /nfs/dbraw/zinc/87/78/37/452877837.db2.gz HPHWWUFRAUNDJB-CQSZACIVSA-N 0 1 332.363 3.193 50 30 EGEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@@H]2c2ccc(F)cc2)cc1 ZINC000005686963 452896158 /nfs/dbraw/zinc/89/61/58/452896158.db2.gz JDHJHRQXHXPOEL-MRXNPFEDSA-N 0 1 341.338 3.042 50 30 EGEAMN CC(C)[C@H]1CN(C(=O)C2(C#N)CC2)CCCN1Cc1ccc(F)cc1 ZINC000071747066 454212303 /nfs/dbraw/zinc/21/23/03/454212303.db2.gz IAQRUEMHVVXTOG-GOSISDBHSA-N 0 1 343.446 3.188 50 30 EGEAMN COc1ccc(NC(=O)N(C)Cc2cc(C(C)(C)C)[nH]n2)cc1C#N ZINC000095500065 454222497 /nfs/dbraw/zinc/22/24/97/454222497.db2.gz FPLLBBRRCSXTTI-UHFFFAOYSA-N 0 1 341.415 3.251 50 30 EGEAMN Cn1c2ccccc2c(C#N)c1CN1CCN(Cc2ccccc2)CC1 ZINC000020458847 212132983 /nfs/dbraw/zinc/13/29/83/212132983.db2.gz PVERPFGRPQBZNM-UHFFFAOYSA-N 0 1 344.462 3.368 50 30 EGEAMN Cc1cccc(CC2S/C(=N/N=C\c3ccccc3F)NC2=O)c1 ZINC000005010015 210360073 /nfs/dbraw/zinc/36/00/73/210360073.db2.gz NXPZKOGKJUYCBP-IWEBCOIVSA-N 0 1 341.411 3.298 50 30 EGEAMN Cc1ccc(C(=N)NOC(=O)COc2ccc3ccccc3c2)cc1 ZINC000005101918 258051379 /nfs/dbraw/zinc/05/13/79/258051379.db2.gz CYYXUIMBRWEZSW-UHFFFAOYSA-N 0 1 334.375 3.391 50 30 EGEAMN COc1cccc(NC(C)=[NH+][N-]c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000013286588 453455902 /nfs/dbraw/zinc/45/59/02/453455902.db2.gz RIXIJUQGXYSFGS-UHFFFAOYSA-N 0 1 345.315 3.369 50 30 EGEAMN Cc1nc[nH]c1-c1cc(-c2cc(F)c(F)c(F)c2)nc(N)c1C#N ZINC000071752690 454214413 /nfs/dbraw/zinc/21/44/13/454214413.db2.gz AVQLDCXOIHJPBR-UHFFFAOYSA-N 0 1 329.285 3.318 50 30 EGEAMN COc1cc(C=CC(O)=CC(=O)C=Cc2ccc(O)cc2)ccc1O ZINC000031430198 521978541 /nfs/dbraw/zinc/97/85/41/521978541.db2.gz HJTVQHVGMGKONQ-AVWDGMTFSA-N 0 1 338.359 3.361 50 30 EGEAMN C=C(C)CN1CCN(Cc2cc3ccc(Cl)cc3[nH]c2=O)CC1 ZINC000952961478 1334625822 /nfs/dbraw/zinc/62/58/22/1334625822.db2.gz MDEYLOZARZNPFV-UHFFFAOYSA-N 0 1 331.847 3.288 50 30 EGEAMN Cc1ccccc1CC1S/C(=N/N=C/c2ccccc2F)NC1=O ZINC000005061111 210379459 /nfs/dbraw/zinc/37/94/59/210379459.db2.gz WCLQZOYURLVRTC-YODDIOPGSA-N 0 1 341.411 3.298 50 30 EGEAMN C=CCC[C@H](CN(C)Cc1cccnc1)Oc1ccc(Cl)nn1 ZINC000067726710 258011184 /nfs/dbraw/zinc/01/11/84/258011184.db2.gz BMCLETVXHVRQPI-OAHLLOKOSA-N 0 1 332.835 3.371 50 30 EGEAMN Cc1cc(C#N)ccc1-c1cccc(C(=O)N[C@@H]2CN3CCC2CC3)c1 ZINC000299782078 258090629 /nfs/dbraw/zinc/09/06/29/258090629.db2.gz GQRABFBRVLWIRE-OAQYLSRUSA-N 0 1 345.446 3.358 50 30 EGEAMN COc1cccc2c1ccn2CCC(=O)Nc1nc(C2CC2)n[nH]1 ZINC000095477842 454221507 /nfs/dbraw/zinc/22/15/07/454221507.db2.gz UPRGLQVACBQWNE-UHFFFAOYSA-N 0 1 325.372 3.324 50 30 EGEAMN COc1cccc2c1ccn2CCC(=O)Nc1n[nH]c(C2CC2)n1 ZINC000095477842 454221510 /nfs/dbraw/zinc/22/15/10/454221510.db2.gz UPRGLQVACBQWNE-UHFFFAOYSA-N 0 1 325.372 3.324 50 30 EGEAMN COc1ccc(C(=O)C2C(=O)C(=O)N[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000104086414 454574418 /nfs/dbraw/zinc/57/44/18/454574418.db2.gz ABGGTNMUHGQYRI-DPEHCCBOSA-N 0 1 343.766 3.058 50 30 EGEAMN C=C(C)COc1c(CN(C)Cc2n[nH]c3c2CCC3)cccc1OC ZINC000055393323 518609187 /nfs/dbraw/zinc/60/91/87/518609187.db2.gz NIPQAWVRHSTBGB-UHFFFAOYSA-N 0 1 341.455 3.494 50 30 EGEAMN O[C@@H](C(=NNc1nncc2ccccc21)c1ccco1)c1ccco1 ZINC000030955045 527645453 /nfs/dbraw/zinc/64/54/53/527645453.db2.gz IUWGKLDDHDTTAN-XUMLYMLNSA-N 0 1 334.335 3.366 50 30 EGEAMN C(=N/N1CCN(Cc2cccc3ccccc32)CC1)\c1ccncc1 ZINC000019773200 212063881 /nfs/dbraw/zinc/06/38/81/212063881.db2.gz WIEWCVDFHPBMMK-XQNSMLJCSA-N 0 1 330.435 3.387 50 30 EGEAMN COc1cc(C=CC(O)=CC(=O)C=Cc2ccc(O)cc2)ccc1O ZINC000005115722 452837907 /nfs/dbraw/zinc/83/79/07/452837907.db2.gz HJTVQHVGMGKONQ-LUZURFALSA-N 0 1 338.359 3.361 50 30 endogenous,in-man EGEAMN CC(=O)C(=NNc1ccccc1)[C@H](c1ccccc1)N1CCOCC1 ZINC000096319115 454319457 /nfs/dbraw/zinc/31/94/57/454319457.db2.gz AEFBZVQDUUIDJG-UUZBPDLYSA-N 0 1 337.423 3.117 50 30 EGEAMN N#Cc1ccc(NC[C@@H]2CCN(Cc3nc4ccccc4s3)C2)nc1 ZINC000065496799 454578626 /nfs/dbraw/zinc/57/86/26/454578626.db2.gz OKUHJMCXZMASLL-HNNXBMFYSA-N 0 1 349.463 3.497 50 30 EGEAMN COc1cc(C=Nc2nnc[nH]2)ccc1OCCOc1ccccc1 ZINC000004182131 522002808 /nfs/dbraw/zinc/00/28/08/522002808.db2.gz LYEVHIJZOMQUJU-XDHOZWIPSA-N 0 1 338.367 3.022 50 30 EGEAMN Cc1cccc(N2C(=O)C[C@H](SC(=N)Nc3ccccc3)C2=O)c1 ZINC000018141403 524533276 /nfs/dbraw/zinc/53/32/76/524533276.db2.gz ZEJNZKHCAPAIKW-HNNXBMFYSA-N 0 1 339.420 3.007 50 30 EGEAMN C=CCOc1c(Cl)cc(C(=O)NCCc2cnc[nH]2)cc1Cl ZINC000055042384 258014660 /nfs/dbraw/zinc/01/46/60/258014660.db2.gz GEFZGYXVTFODLL-UHFFFAOYSA-N 0 1 340.210 3.254 50 30 EGEAMN CC(=O)c1cn(CC(=O)Nc2n[nH]c(CC(C)C)n2)c2ccccc12 ZINC000095480362 454221576 /nfs/dbraw/zinc/22/15/76/454221576.db2.gz MVXSCPVCRPFOIH-UHFFFAOYSA-N 0 1 339.399 3.449 50 30 EGEAMN CC(=O)c1cn(CC(=O)Nc2nc(CC(C)C)n[nH]2)c2ccccc12 ZINC000095480362 454221581 /nfs/dbraw/zinc/22/15/81/454221581.db2.gz MVXSCPVCRPFOIH-UHFFFAOYSA-N 0 1 339.399 3.449 50 30 EGEAMN N#Cc1cccc(-c2ccc(C(=O)N3CCN(CC4CC4)CC3)cc2)c1 ZINC000426370453 457814783 /nfs/dbraw/zinc/81/47/83/457814783.db2.gz ITXBOISKVGXIIR-UHFFFAOYSA-N 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Cc1[nH]n(-c2ccccc2)c(=O)c1[C@H](c1ccccc1)C(C#N)C#N ZINC000105602493 454644784 /nfs/dbraw/zinc/64/47/84/454644784.db2.gz QJAROVKOQCLZEZ-LJQANCHMSA-N 0 1 328.375 3.269 50 30 EGEAMN COc1ccc(C(=O)ONC(=N)Cc2ccc(Cl)cc2)c(OC)c1 ZINC000004191548 523768718 /nfs/dbraw/zinc/76/87/18/523768718.db2.gz AQLPPRUBMNWCRY-UHFFFAOYSA-N 0 1 348.786 3.029 50 30 EGEAMN Cc1ccccc1CC1S/C(=N\N=C\c2cccs2)NC1=O ZINC000004075918 210113670 /nfs/dbraw/zinc/11/36/70/210113670.db2.gz HHLDEULGVNOHDE-FBJMNJBLSA-N 0 1 329.450 3.221 50 30 EGEAMN Cc1cccc(CC2S/C(=N/N=C/c3ccccc3C)NC2=O)c1 ZINC000004964799 210342289 /nfs/dbraw/zinc/34/22/89/210342289.db2.gz FMKCKTDIZYSMJI-RONKMWSCSA-N 0 1 337.448 3.468 50 30 EGEAMN OCC#Cc1csc(CN(Cc2ccsc2)C[C@H]2CCCO2)c1 ZINC000055074673 258014927 /nfs/dbraw/zinc/01/49/27/258014927.db2.gz YKTVVEVZBWKZMU-QGZVFWFLSA-N 0 1 347.505 3.335 50 30 EGEAMN CC1(C)CC(=O)C(=C2C=C(O)N(c3ccc(F)c(F)c3)C2O)C(=O)C1 ZINC000101264913 275808072 /nfs/dbraw/zinc/80/80/72/275808072.db2.gz XEYATQLRVGDXES-JTQLQIEISA-N 0 1 349.333 3.046 50 30 EGEAMN O[C@@H](CNCc1ccco1)CON=C1c2ccccc2-c2ccccc21 ZINC000002707495 452716823 /nfs/dbraw/zinc/71/68/23/452716823.db2.gz ZXWOIOGJZLOLLO-HNNXBMFYSA-N 0 1 348.402 3.180 50 30 EGEAMN COc1ccc2nc(SCC(=O)Nc3ccc(C#N)cc3)[nH]c2c1 ZINC000008745157 453231281 /nfs/dbraw/zinc/23/12/81/453231281.db2.gz KODURZQSKRNERU-UHFFFAOYSA-N 0 1 338.392 3.174 50 30 EGEAMN C[C@@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1C[C@H]1OC(=O)C=C12 ZINC000257357982 455897766 /nfs/dbraw/zinc/89/77/66/455897766.db2.gz RBULKOMEEZXUGR-YXGYCTSJSA-N 0 1 340.419 3.159 50 30 EGEAMN COc1cccc(O)c1C(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 ZINC000048057074 526213551 /nfs/dbraw/zinc/21/35/51/526213551.db2.gz OEKOYDNDUSEWAD-CMDGGOBGSA-N 0 1 344.363 3.323 50 30 EGEAMN CC1S/C(=N/N=C/c2ccco2)N(Cc2ccc(F)cc2)C1=O ZINC000004939292 210329979 /nfs/dbraw/zinc/32/99/79/210329979.db2.gz PUNDVMYMRBBBEF-TWRKLKJHSA-N 0 1 331.372 3.273 50 30 EGEAMN CCN(CC#C[C@@](O)(c1ccccc1)C1(CC)CCCC1)CCO ZINC000002286966 258017599 /nfs/dbraw/zinc/01/75/99/258017599.db2.gz OGQPMELVOBPBML-OAQYLSRUSA-N 0 1 329.484 3.162 50 30 EGEAMN COc1cccc(-c2n[nH]c(=S)n2N=Cc2ccccc2O)c1 ZINC000001272252 452651282 /nfs/dbraw/zinc/65/12/82/452651282.db2.gz IQEGIDLHCFOVHO-LICLKQGHSA-N 0 1 326.381 3.204 50 30 EGEAMN Cc1cccc(/N=C2/NC(=O)[C@H](Cc3ccccc3[N+](=O)[O-])S2)c1 ZINC000005533045 452882963 /nfs/dbraw/zinc/88/29/63/452882963.db2.gz RRSCHJJCDBRLLU-HNNXBMFYSA-N 0 1 341.392 3.365 50 30 EGEAMN COc1cccc(C[C@]2(CO)CCCN(CC#Cc3ccccc3)C2)c1 ZINC000012570987 453376014 /nfs/dbraw/zinc/37/60/14/453376014.db2.gz HHBHOBJTPGNADA-HSZRJFAPSA-N 0 1 349.474 3.364 50 30 EGEAMN COc1ccc(C2(C(=O)Nc3nc(C(C)C)n[nH]3)CCOCC2)cc1 ZINC000095476882 454219811 /nfs/dbraw/zinc/21/98/11/454219811.db2.gz IFWXPYYIXNHEAR-UHFFFAOYSA-N 0 1 344.415 3.273 50 30 EGEAMN COc1ccc(C2(C(=O)Nc3n[nH]c(C(C)C)n3)CCOCC2)cc1 ZINC000095476882 454219814 /nfs/dbraw/zinc/21/98/14/454219814.db2.gz IFWXPYYIXNHEAR-UHFFFAOYSA-N 0 1 344.415 3.273 50 30 EGEAMN C=CCn1c(CN)nnc1SCc1cc(C2CCCCC2)no1 ZINC000426730412 457886936 /nfs/dbraw/zinc/88/69/36/457886936.db2.gz LUUYTVORFQEACO-UHFFFAOYSA-N 0 1 333.461 3.251 50 30 EGEAMN COc1ccccc1N1CCN(Cc2cc(C#N)n(C)c2)CC1(C)C ZINC000072146209 216032234 /nfs/dbraw/zinc/03/22/34/216032234.db2.gz RVIXQZPSPHMRLZ-UHFFFAOYSA-N 0 1 338.455 3.006 50 30 EGEAMN COc1ccc(/C=C/C(=O)c2cc(NC(C)=O)ccc2O)cc1OC ZINC000011865192 211260356 /nfs/dbraw/zinc/26/03/56/211260356.db2.gz FFIMSDJULFUIPP-QPJJXVBHSA-N 0 1 341.363 3.264 50 30 biogenic EGEAMN COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2C)cc1 ZINC000009089564 211038719 /nfs/dbraw/zinc/03/87/19/211038719.db2.gz IKFHBODSZAZPEZ-KRWDZBQOSA-N 0 1 337.375 3.212 50 30 EGEAMN C=CCOC(=O)C1C(C)=NC(=O)N[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000004845107 210297057 /nfs/dbraw/zinc/29/70/57/210297057.db2.gz KUYVLBRFIIEXMG-INIZCTEOSA-N 0 1 328.412 3.341 50 30 EGEAMN CCOC(=O)C1=C(C)N=C(/N=C/N(C)C)S[C@@H]1c1ccccc1 ZINC000100208408 276273971 /nfs/dbraw/zinc/27/39/71/276273971.db2.gz DIQRXWJXPKXJSU-CLXYIWAZSA-N 0 1 331.441 3.258 50 30 EGEAMN CC(C)(C)S(=O)(=O)/C(C#N)=N/Nc1ccc(Cl)c(Cl)c1 ZINC000003047555 452739632 /nfs/dbraw/zinc/73/96/32/452739632.db2.gz WFONVRGSCXZTHU-GZTJUZNOSA-N 0 1 334.228 3.456 50 30 EGEAMN CC1S/C(=N\N=C\c2ccco2)N(Cc2ccc(F)cc2)C1=O ZINC000006409364 452943521 /nfs/dbraw/zinc/94/35/21/452943521.db2.gz PUNDVMYMRBBBEF-MWIMKKNQSA-N 0 1 331.372 3.273 50 30 EGEAMN Cc1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(O)cc2O)cc1 ZINC000006556821 452954320 /nfs/dbraw/zinc/95/43/20/452954320.db2.gz LIQIPDSYXIFNGO-RQZCQDPDSA-N 0 1 326.381 3.210 50 30 EGEAMN Cc1ccc(CC2S/C(=N/N=C/c3cccs3)NC2=O)cc1 ZINC000013552781 453469774 /nfs/dbraw/zinc/46/97/74/453469774.db2.gz PCLIZMOSWCLVTC-NGWPFTMJSA-N 0 1 329.450 3.221 50 30 EGEAMN C#CCN(CCC(=O)OCC(Cl)(Cl)Cl)Cc1ccccc1 ZINC000025663438 453781791 /nfs/dbraw/zinc/78/17/91/453781791.db2.gz YGQZJWKINXGGBK-UHFFFAOYSA-N 0 1 348.657 3.425 50 30 EGEAMN CC[C@H](C(=O)NCC#CCN(C)Cc1ccccc1)c1ccccc1 ZINC000075165140 453868571 /nfs/dbraw/zinc/86/85/71/453868571.db2.gz LIHSLFSHRUUICJ-NRFANRHFSA-N 0 1 334.463 3.432 50 30 EGEAMN Cc1ccccc1N1CCN(Cc2ccc(C#CCO)s2)[C@H](C)C1 ZINC000065375171 454555971 /nfs/dbraw/zinc/55/59/71/454555971.db2.gz KYNVWCLWWCWLKD-QGZVFWFLSA-N 0 1 340.492 3.111 50 30 EGEAMN