smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)C(=O)N(C)Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3)cc1 ZINC000160206332 463322023 /nfs/dbraw/zinc/32/20/23/463322023.db2.gz MDZNNWHCTQUKMB-HDICACEKSA-N 0 1 343.471 2.268 10 70 EEIEMN CSc1nc(C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)c2ccccn21 ZINC000161408804 206345883 /nfs/dbraw/zinc/34/58/83/206345883.db2.gz PAUMFOKUTHJCTD-JTQLQIEISA-N 0 1 329.429 2.449 10 70 EEIEMN COc1cc(CN2C[C@H](C(N)=O)CC[C@H]2C)cc(Cl)c1OC ZINC000159578923 463294118 /nfs/dbraw/zinc/29/41/18/463294118.db2.gz IMJRZDVKOZSVFG-ZYHUDNBSSA-N 0 1 326.824 2.443 10 70 EEIEMN CCc1nc([C@@H]2CN(C(=O)Nc3ccc(F)cc3OC)CCO2)n[nH]1 ZINC000159546648 206251095 /nfs/dbraw/zinc/25/10/95/206251095.db2.gz VPNRCEVRQBLKHR-ZDUSSCGKSA-N 0 1 349.366 2.120 10 70 EEIEMN C[C@@H](CNC(=O)c1cc(S(C)(=O)=O)cs1)CN1CCCCC1 ZINC000161388122 206346895 /nfs/dbraw/zinc/34/68/95/206346895.db2.gz FXNZSFPITNJMGL-LBPRGKRZSA-N 0 1 344.502 2.003 10 70 EEIEMN CC(C)c1n[nH]c(C(=O)N2C[C@H]3CCC[C@@H](C2)N3)c1Br ZINC000159477584 276064164 /nfs/dbraw/zinc/06/41/64/276064164.db2.gz LSNWOTCFJKAGCV-AOOOYVTPSA-N 0 1 341.253 2.262 10 70 EEIEMN CCCNS(=O)(=O)c1ccc(NC(=O)[C@@H](CCC)N(C)C)cc1 ZINC000161452371 311365953 /nfs/dbraw/zinc/36/59/53/311365953.db2.gz UTPNILHWSXTOGX-OAHLLOKOSA-N 0 1 341.477 2.044 10 70 EEIEMN O=C(Cc1ccc(OC(F)(F)F)cc1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160305828 463326656 /nfs/dbraw/zinc/32/66/56/463326656.db2.gz BRZSTXWXEFTBLR-BETUJISGSA-N 0 1 328.334 2.481 10 70 EEIEMN COc1ccc2c(c1)C[C@H](C(=O)N[C@H](C)Cc1cc(C)[nH]n1)CO2 ZINC000161137167 206329838 /nfs/dbraw/zinc/32/98/38/206329838.db2.gz RDGNPDZBRBLFTG-RISCZKNCSA-N 0 1 329.400 2.025 10 70 EEIEMN COc1cccc(C2(NC(=O)NCCCCN3CCOCC3)CC2)c1 ZINC000160390247 206294480 /nfs/dbraw/zinc/29/44/80/206294480.db2.gz WQILJDDFUJZQEB-UHFFFAOYSA-N 0 1 347.459 2.096 10 70 EEIEMN Cc1cc(C[C@H](C)NC(=O)c2cc3c(cc2F)NC(=O)CC3)n[nH]1 ZINC000161398549 206346848 /nfs/dbraw/zinc/34/68/48/206346848.db2.gz QAHRSNMRHVTRSB-VIFPVBQESA-N 0 1 330.363 2.103 10 70 EEIEMN Cc1cccc(OCCNC(=O)CN2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000160785829 206313050 /nfs/dbraw/zinc/31/30/50/206313050.db2.gz OZWMXUJOMFCVIH-YLJYHZDGSA-N 0 1 346.471 2.117 10 70 EEIEMN CC(=O)N[C@H](CC(=O)N[C@H](C)Cc1cc(C)[nH]n1)c1ccc(C)cc1 ZINC000161371570 311365105 /nfs/dbraw/zinc/36/51/05/311365105.db2.gz NXWIFJNICQREBQ-FZKQIMNGSA-N 0 1 342.443 2.341 10 70 EEIEMN C[C@@H](N[C@H](C)c1ccccc1-n1cccn1)C(=O)Nc1ncccn1 ZINC000160841882 463375640 /nfs/dbraw/zinc/37/56/40/463375640.db2.gz JHOOSPJVIUDSMC-ZIAGYGMSSA-N 0 1 336.399 2.340 10 70 EEIEMN O=C(Nc1ccn(CC(F)(F)F)n1)N1CCN2CCCC[C@H]2C1 ZINC000160801266 206313781 /nfs/dbraw/zinc/31/37/81/206313781.db2.gz GMRGWSDLKKIRNC-NSHDSACASA-N 0 1 331.342 2.147 10 70 EEIEMN CCOc1cccc(CNC(=O)CN2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000161140459 206331816 /nfs/dbraw/zinc/33/18/16/206331816.db2.gz JZIVTHYZLOIQCT-YLJYHZDGSA-N 0 1 346.471 2.329 10 70 EEIEMN Cc1cc(C[C@H](C)NC(=O)N(C)[C@@H]2CCCc3c2cnn3C)n[nH]1 ZINC000159763400 463303814 /nfs/dbraw/zinc/30/38/14/463303814.db2.gz RJCSHRVPJCPAOO-XHDPSFHLSA-N 0 1 330.436 2.102 10 70 EEIEMN Cc1cccc2nc(CNC(=O)c3cccc(-n4cncn4)c3)[nH]c21 ZINC000160236058 311351928 /nfs/dbraw/zinc/35/19/28/311351928.db2.gz NDJSVYSZWVTMIJ-UHFFFAOYSA-N 0 1 332.367 2.382 10 70 EEIEMN CCCN1C(=O)N=NC1SCc1nnc(-c2ccccc2)n1C ZINC000160974530 311360478 /nfs/dbraw/zinc/36/04/78/311360478.db2.gz VCSCHYKJTZJZBA-UHFFFAOYSA-N 0 1 330.417 2.482 10 70 EEIEMN O=C(Nc1ccn(CC(F)(F)F)n1)N1CCN2CCCC[C@@H]2C1 ZINC000160801133 463372694 /nfs/dbraw/zinc/37/26/94/463372694.db2.gz GMRGWSDLKKIRNC-LLVKDONJSA-N 0 1 331.342 2.147 10 70 EEIEMN COc1ccc2c(c1)C[C@H](C(=O)N[C@@H](C)Cc1cc(C)[nH]n1)CO2 ZINC000161137301 463403116 /nfs/dbraw/zinc/40/31/16/463403116.db2.gz RDGNPDZBRBLFTG-FZMZJTMJSA-N 0 1 329.400 2.025 10 70 EEIEMN CCCNC(=O)c1cccc(C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)c1 ZINC000161170836 463406943 /nfs/dbraw/zinc/40/69/43/463406943.db2.gz OJWPQFFZBKSNKW-LBPRGKRZSA-N 0 1 328.416 2.219 10 70 EEIEMN COCCC1(CNC(=O)N[C@H](c2n[nH]c(C)n2)c2ccccc2)CC1 ZINC000161100562 159720243 /nfs/dbraw/zinc/72/02/43/159720243.db2.gz IQGQNNDWTDTLKZ-HNNXBMFYSA-N 0 1 343.431 2.318 10 70 EEIEMN Cc1cccc2nc(CNC(=O)CCC(=O)NC3CCCC3)[nH]c21 ZINC000160350451 311352949 /nfs/dbraw/zinc/35/29/49/311352949.db2.gz LUAVGKLHKKEXCH-UHFFFAOYSA-N 0 1 328.416 2.327 10 70 EEIEMN COC(=O)[C@H]1CCC[C@@H](C(=O)NCc2nc3cccc(C)c3[nH]2)C1 ZINC000160566517 311355635 /nfs/dbraw/zinc/35/56/35/311355635.db2.gz CDSTWRQKCVLQKI-OLZOCXBDSA-N 0 1 329.400 2.467 10 70 EEIEMN CNc1ncc(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)s1 ZINC000159370512 463283471 /nfs/dbraw/zinc/28/34/71/463283471.db2.gz BRUMAHHEFWVDLD-OCCSQVGLSA-N 0 1 330.457 2.435 10 70 EEIEMN Cc1cc(C[C@@H](C)NC(=O)c2cc3c(cc2F)NC(=O)CC3)n[nH]1 ZINC000161398423 463427981 /nfs/dbraw/zinc/42/79/81/463427981.db2.gz QAHRSNMRHVTRSB-SECBINFHSA-N 0 1 330.363 2.103 10 70 EEIEMN COCc1ccc(CNC(=O)CN2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000160924645 463382610 /nfs/dbraw/zinc/38/26/10/463382610.db2.gz DYYHPWDELBNMGU-UYAOXDASSA-N 0 1 346.471 2.076 10 70 EEIEMN Cc1cc(C[C@@H](C)NC(=O)C[C@H](C)NC(=O)C2CCCCC2)n[nH]1 ZINC000161412683 463429225 /nfs/dbraw/zinc/42/92/25/463429225.db2.gz JMHGPIUKGCIYOY-OLZOCXBDSA-N 0 1 334.464 2.240 10 70 EEIEMN CCC[C@@H](C(=O)N(CC)CC(=O)Nc1cccc(OC)c1)N(C)C ZINC000161472354 463432886 /nfs/dbraw/zinc/43/28/86/463432886.db2.gz VASRLMDHCMKWRS-INIZCTEOSA-N 0 1 335.448 2.213 10 70 EEIEMN CC(C)NC(=O)Nc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3)cc1 ZINC000159745543 463302987 /nfs/dbraw/zinc/30/29/87/463302987.db2.gz VKSMKOKJYOFMBV-IYBDPMFKSA-N 0 1 330.432 2.183 10 70 EEIEMN O=C(NCCCCN1CCOCC1)c1cc(F)cc2cccnc21 ZINC000160680930 463362526 /nfs/dbraw/zinc/36/25/26/463362526.db2.gz VYEAQEDKGUDJJG-UHFFFAOYSA-N 0 1 331.391 2.216 10 70 EEIEMN Cc1cccc2c(=O)c(C(=O)NCc3nnc4ccccn43)c[nH]c12 ZINC000161287563 463417051 /nfs/dbraw/zinc/41/70/51/463417051.db2.gz IDQITMCOQAXMIF-UHFFFAOYSA-N 0 1 333.351 2.222 10 70 EEIEMN Cc1ccn2c(c1)ncc(C(=O)NCc1nc3cccc(C)c3[nH]1)c2=O ZINC000160361356 311353580 /nfs/dbraw/zinc/35/35/80/311353580.db2.gz KQZGTWRKYVJUNL-UHFFFAOYSA-N 0 1 347.378 2.118 10 70 EEIEMN O=C(CCSc1ccc2c(c1)OCCO2)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000159440908 463287735 /nfs/dbraw/zinc/28/77/35/463287735.db2.gz BLKJDXDWPAEYHO-OKILXGFUSA-N 0 1 348.468 2.293 10 70 EEIEMN COc1ccccc1CN(C)C(=O)CN1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160556809 463349714 /nfs/dbraw/zinc/34/97/14/463349714.db2.gz CCMPZLOEIRNWFX-YLJYHZDGSA-N 0 1 346.471 2.281 10 70 EEIEMN CCCn1c(=O)[nH]nc1S(=O)(=O)Cc1csc(C(C)(C)C)n1 ZINC000160921015 463382937 /nfs/dbraw/zinc/38/29/37/463382937.db2.gz YVZXLEDOTZDSOW-UHFFFAOYSA-N 0 1 344.462 2.122 10 70 EEIEMN CC(=O)CCc1ccc(OCC(=O)N[C@H](C)Cc2cc(C)[nH]n2)cc1 ZINC000161275939 463415736 /nfs/dbraw/zinc/41/57/36/463415736.db2.gz VKKRNUODHHVTEL-CYBMUJFWSA-N 0 1 343.427 2.366 10 70 EEIEMN CC(C)[C@@H](NCC(=O)Nc1nncs1)c1ccc2c(c1)OCCO2 ZINC000161479049 463433384 /nfs/dbraw/zinc/43/33/84/463433384.db2.gz HSVVSXOTWSLPRV-OAHLLOKOSA-N 0 1 348.428 2.235 10 70 EEIEMN CCc1nc([C@H]2CN(C(=O)Nc3ccc(F)cc3OC)CCO2)n[nH]1 ZINC000159546776 529700910 /nfs/dbraw/zinc/70/09/10/529700910.db2.gz VPNRCEVRQBLKHR-CYBMUJFWSA-N 0 1 349.366 2.120 10 70 EEIEMN COc1ccc(COCCC(=O)N[C@H](C)Cc2cc(C)[nH]n2)cc1 ZINC000161170308 539524608 /nfs/dbraw/zinc/52/46/08/539524608.db2.gz XOODVWHUMUBIAL-CYBMUJFWSA-N 0 1 331.416 2.381 10 70 EEIEMN CON(C)C(=O)c1ccc(NC(=O)N[C@H](C)Cc2cc(C)[nH]n2)cc1 ZINC000160059843 225327984 /nfs/dbraw/zinc/32/79/84/225327984.db2.gz LCYXWIQPEBNXNF-LLVKDONJSA-N 0 1 345.403 2.104 10 70 EEIEMN Cc1cc(=O)n2nc(CN(CCc3nccs3)C(C)C)sc2n1 ZINC000159786574 311346123 /nfs/dbraw/zinc/34/61/23/311346123.db2.gz ZGBPDFZGUNXFBR-UHFFFAOYSA-N 0 1 349.485 2.369 10 70 EEIEMN CCc1c(C(=O)NCc2nc3cccc(C)c3[nH]2)[nH]c(C)c1C(N)=O ZINC000160502225 311354514 /nfs/dbraw/zinc/35/45/14/311354514.db2.gz ODXPTNVTKTWNLC-UHFFFAOYSA-N 0 1 339.399 2.099 10 70 EEIEMN Cc1cccc2nc(CNC(=O)c3ccc4c(c3)OCC(=O)N4)[nH]c21 ZINC000160548301 311355615 /nfs/dbraw/zinc/35/56/15/311355615.db2.gz PGYVCVXWPCLAST-UHFFFAOYSA-N 0 1 336.351 2.132 10 70 EEIEMN Cc1cccc2nc(CNC(=O)c3ccc(-n4cnnc4)cc3)[nH]c21 ZINC000160592576 311356110 /nfs/dbraw/zinc/35/61/10/311356110.db2.gz STRSBSROKDEXDH-UHFFFAOYSA-N 0 1 332.367 2.382 10 70 EEIEMN COCCOc1ccc(Cl)cc1C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160215140 463324147 /nfs/dbraw/zinc/32/41/47/463324147.db2.gz IGNFYDWTXQXCFQ-OKILXGFUSA-N 0 1 338.835 2.332 10 70 EEIEMN CCn1cnnc1[C@H]1CCCN(C[C@H](O)c2cc(F)ccc2F)C1 ZINC000161266516 463414621 /nfs/dbraw/zinc/41/46/21/463414621.db2.gz JYVDSUMXXMNPBV-LRDDRELGSA-N 0 1 336.386 2.489 10 70 EEIEMN CCc1nc([C@H]2CN(C(=O)Nc3cccc(COC)c3)CCO2)n[nH]1 ZINC000159681611 529701003 /nfs/dbraw/zinc/70/10/03/529701003.db2.gz PDIXTXXBJTVUKT-CQSZACIVSA-N 0 1 345.403 2.119 10 70 EEIEMN O[C@H](COCc1ccccc1)CN1CCN(c2cccs2)CC1 ZINC000160304335 225385891 /nfs/dbraw/zinc/38/58/91/225385891.db2.gz MEJBNNPKIDIMAN-KRWDZBQOSA-N 0 1 332.469 2.448 10 70 EEIEMN Cc1n[nH]c([N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)c1C ZINC000160500892 311354784 /nfs/dbraw/zinc/35/47/84/311354784.db2.gz RNYWVAYKIWDQKP-UHFFFAOYSA-N 0 1 343.792 2.252 10 70 EEIEMN C[C@H]1CCCC[N@H+]1CCNC(=O)CCc1cc2ccccc2[nH]c1=O ZINC000160495567 311354818 /nfs/dbraw/zinc/35/48/18/311354818.db2.gz TXBOFQOXTISFQY-HNNXBMFYSA-N 0 1 341.455 2.451 10 70 EEIEMN O=C(c1cnn(-c2ccc(Cl)cc2)c1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160018994 463316320 /nfs/dbraw/zinc/31/63/20/463316320.db2.gz BBXPUGUGKRVLGE-GASCZTMLSA-N 0 1 330.819 2.492 10 70 EEIEMN Cc1ccc(-c2n[nH]c(NC(=O)C[C@@H]3C(=O)Nc4ccccc43)n2)o1 ZINC000160355575 463330673 /nfs/dbraw/zinc/33/06/73/463330673.db2.gz BANXCARSWRKSOB-NSHDSACASA-N 0 1 337.339 2.438 10 70 EEIEMN CCOc1cccc(CNC(=O)CN2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000161140572 463403144 /nfs/dbraw/zinc/40/31/44/463403144.db2.gz JZIVTHYZLOIQCT-XLIONFOSSA-N 0 1 346.471 2.329 10 70 EEIEMN Cc1ccccc1CCNC(=O)CN1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161178374 463407616 /nfs/dbraw/zinc/40/76/16/463407616.db2.gz HORCNJSUGMAEKD-UYAOXDASSA-N 0 1 330.472 2.281 10 70 EEIEMN CCCCNC(=O)NC(=O)C[N@@H+](CCc1nccs1)C(C)C ZINC000159759289 311345794 /nfs/dbraw/zinc/34/57/94/311345794.db2.gz AMKJWVPJAFAEIG-UHFFFAOYSA-N 0 1 326.466 2.022 10 70 EEIEMN CCCCNC(=O)NC(=O)CN(CCc1nccs1)C(C)C ZINC000159759289 311345795 /nfs/dbraw/zinc/34/57/95/311345795.db2.gz AMKJWVPJAFAEIG-UHFFFAOYSA-N 0 1 326.466 2.022 10 70 EEIEMN COCCOc1ncccc1C(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000160460560 311354358 /nfs/dbraw/zinc/35/43/58/311354358.db2.gz UTEVDRGZGXYNOP-UHFFFAOYSA-N 0 1 340.383 2.222 10 70 EEIEMN COc1ccc(CN2C[C@H](C(N)=O)CC[C@@H]2C)c(Cl)c1OC ZINC000159694064 463300085 /nfs/dbraw/zinc/30/00/85/463300085.db2.gz QHLOHROXXSHZPE-CMPLNLGQSA-N 0 1 326.824 2.443 10 70 EEIEMN CC(C)NC(=O)Nc1ccccc1C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160317186 463329176 /nfs/dbraw/zinc/32/91/76/463329176.db2.gz DXDUELUOLQEOCB-OKILXGFUSA-N 0 1 330.432 2.183 10 70 EEIEMN Cc1cc(C[C@@H](C)NC(=O)NCc2ccnc(OC(C)C)c2)n[nH]1 ZINC000160751184 463367327 /nfs/dbraw/zinc/36/73/27/463367327.db2.gz KNXPHGWDSZVBPL-GFCCVEGCSA-N 0 1 331.420 2.331 10 70 EEIEMN Cc1cc(C[C@H](C)NC(=O)Nc2ccc(C(=O)N(C)C)c(C)c2)n[nH]1 ZINC000160874417 463378679 /nfs/dbraw/zinc/37/86/79/463378679.db2.gz MATRHANWYQEDQJ-LBPRGKRZSA-N 0 1 343.431 2.481 10 70 EEIEMN COc1ccsc1S(=O)(=O)NC[C@H]1CCCN1CC(C)C ZINC000160301509 533102188 /nfs/dbraw/zinc/10/21/88/533102188.db2.gz FEOFSCFGGVNAIF-GFCCVEGCSA-N 0 1 332.491 2.155 10 70 EEIEMN CCCn1c(=O)[nH]nc1S(=O)(=O)Cc1c(F)cccc1Cl ZINC000160918919 463381388 /nfs/dbraw/zinc/38/13/88/463381388.db2.gz GQGFFSJKIUQGSX-UHFFFAOYSA-N 0 1 333.772 2.160 10 70 EEIEMN CCC[C@H](C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1)N(C)C ZINC000161456598 463432462 /nfs/dbraw/zinc/43/24/62/463432462.db2.gz BIJBLKYVQQQLCM-OAHLLOKOSA-N 0 1 331.416 2.004 10 70 EEIEMN Cc1cc(C[C@H](C)NC(=O)c2cccnc2OCC(F)(F)F)n[nH]1 ZINC000161500729 463434403 /nfs/dbraw/zinc/43/44/03/463434403.db2.gz HZMLZSAQULISKZ-VIFPVBQESA-N 0 1 342.321 2.415 10 70 EEIEMN 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COc1ccc(-c2n[nH]cc2C(=O)N2C[C@H]3CCC[C@@H](C2)N3)cc1 ZINC000160700584 463363774 /nfs/dbraw/zinc/36/37/74/463363774.db2.gz NNEYGBDEOWCRTQ-OKILXGFUSA-N 0 1 326.400 2.052 10 70 EEIEMN Cc1cc(C[C@@H](C)NC(=O)[C@H](NC(=O)c2cccs2)C(C)C)n[nH]1 ZINC000161094109 463399145 /nfs/dbraw/zinc/39/91/45/463399145.db2.gz GSHNRGDVXDKIRN-IAQYHMDHSA-N 0 1 348.472 2.281 10 70 EEIEMN COc1ccc(C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)c(OC)c1OC ZINC000161330887 463421638 /nfs/dbraw/zinc/42/16/38/463421638.db2.gz RXRPGPRTHWFJJH-JTQLQIEISA-N 0 1 333.388 2.105 10 70 EEIEMN Cc1cc(C[C@@H](C)NC(=O)[C@@H](CC(C)C)N2CCCCC2=O)n[nH]1 ZINC000161447209 463430920 /nfs/dbraw/zinc/43/09/20/463430920.db2.gz AIWMOKMWEGMMBV-CZUORRHYSA-N 0 1 334.464 2.193 10 70 EEIEMN Cc1cc(C[C@H](C)NC(=O)Cc2csc(NC(=O)C(C)C)n2)n[nH]1 ZINC000161503982 225641693 /nfs/dbraw/zinc/64/16/93/225641693.db2.gz UZNLCLDQDOABIT-JTQLQIEISA-N 0 1 349.460 2.059 10 70 EEIEMN C[C@@H](N[C@@H](C)c1ccc(-n2ccnn2)cc1)C(=O)Nc1nccs1 ZINC000159863153 311347361 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ZINC000160406024 311354014 /nfs/dbraw/zinc/35/40/14/311354014.db2.gz LQCVDUVLKCVMPZ-UHFFFAOYSA-N 0 1 343.408 2.205 10 70 EEIEMN C[C@H](CNC(=O)c1cc(S(C)(=O)=O)cs1)CN1CCCCC1 ZINC000161388245 463427667 /nfs/dbraw/zinc/42/76/67/463427667.db2.gz FXNZSFPITNJMGL-GFCCVEGCSA-N 0 1 344.502 2.003 10 70 EEIEMN COCCN(CCOC)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000159707517 225263166 /nfs/dbraw/zinc/26/31/66/225263166.db2.gz JVTNDTWHSBXJKS-OAHLLOKOSA-N 0 1 326.824 2.428 10 70 EEIEMN Cc1cccc2nc(CNC(=O)[C@@H](C)OC[C@@H]3CCCCO3)[nH]c21 ZINC000160536518 311355203 /nfs/dbraw/zinc/35/52/03/311355203.db2.gz FUJLQZNRGLOFRZ-KGLIPLIRSA-N 0 1 331.416 2.462 10 70 EEIEMN CC(=O)N[C@H](CC(=O)N[C@@H](C)Cc1cc(C)[nH]n1)c1ccc(C)cc1 ZINC000161371345 311365244 /nfs/dbraw/zinc/36/52/44/311365244.db2.gz NXWIFJNICQREBQ-SCLBCKFNSA-N 0 1 342.443 2.341 10 70 EEIEMN CCn1cnnc1[C@H]1CCCN(CC(=O)N2[C@H](C)CCC[C@@H]2C)C1 ZINC000161300401 463418648 /nfs/dbraw/zinc/41/86/48/463418648.db2.gz HYJHYPVONZXVAF-XHSDSOJGSA-N 0 1 333.480 2.267 10 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COc1ccc(C(C)(C)C(=O)N2C[C@H]3CCC[C@@H](C2)N3)cc1OC ZINC000159927281 463309878 /nfs/dbraw/zinc/30/98/78/463309878.db2.gz KHUMFXFNRFLAAQ-GASCZTMLSA-N 0 1 332.444 2.334 10 70 EEIEMN Cc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3)c2cnn(C(C)C)c2n1 ZINC000159935794 463311825 /nfs/dbraw/zinc/31/18/25/463311825.db2.gz YJJBBDXSUDJKMA-OKILXGFUSA-N 0 1 327.432 2.287 10 70 EEIEMN COCc1cccc(CNC(=O)CN2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000160588001 463352393 /nfs/dbraw/zinc/35/23/93/463352393.db2.gz BGWDFOHHCFRYQM-QUCCMNQESA-N 0 1 346.471 2.076 10 70 EEIEMN CC(C)N(CCc1nccs1)CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000159923625 311347853 /nfs/dbraw/zinc/34/78/53/311347853.db2.gz XLGXSESZUCRQEX-OKILXGFUSA-N 0 1 325.478 2.032 10 70 EEIEMN CCC[C@@H](C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)N(C)C ZINC000161497755 311366470 /nfs/dbraw/zinc/36/64/70/311366470.db2.gz PJDARBNECKUEHZ-JKSUJKDBSA-N 0 1 333.432 2.473 10 70 EEIEMN COc1ccc(-c2cc(C(=O)N(C)CC(=O)NC(C)(C)C)n[nH]2)cc1 ZINC000159381096 463282681 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/nfs/dbraw/zinc/36/29/59/463362959.db2.gz ROWYVGHYGYQYDW-GDBMZVCRSA-N 0 1 338.398 2.297 10 70 EEIEMN Cc1ccc2c([n-]cc(C(=O)N[C@H]3CCO[C@@H](C4CC4)C3)c2=O)[nH+]1 ZINC000159384853 463283360 /nfs/dbraw/zinc/28/33/60/463283360.db2.gz DBRBSTZHKXVNQG-SWLSCSKDSA-N 0 1 327.384 2.331 10 70 EEIEMN CC(C)(C)C(=O)NCc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3)cc1 ZINC000160205202 463322438 /nfs/dbraw/zinc/32/24/38/463322438.db2.gz VWCJGXKNSVDKOI-CALCHBBNSA-N 0 1 343.471 2.315 10 70 EEIEMN CCc1nn(C)c(Cl)c1C(=O)Nc1cc(-c2nccn2C)n[nH]1 ZINC000160898806 463380695 /nfs/dbraw/zinc/38/06/95/463380695.db2.gz OOHVGTSZPMMQPG-UHFFFAOYSA-N 0 1 333.783 2.012 10 70 EEIEMN COCCCOc1ccc(C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)cc1 ZINC000161181408 463407479 /nfs/dbraw/zinc/40/74/79/463407479.db2.gz AKMGDCZEKYEQGK-ZDUSSCGKSA-N 0 1 331.416 2.494 10 70 EEIEMN CSc1nc(C(=O)N[C@H](C)Cc2cc(C)[nH]n2)c2ccccn21 ZINC000161408676 463428917 /nfs/dbraw/zinc/42/89/17/463428917.db2.gz PAUMFOKUTHJCTD-SNVBAGLBSA-N 0 1 329.429 2.449 10 70 EEIEMN CCC[C@H](C(=O)N(CC)CC(=O)Nc1cccc(OC)c1)N(C)C ZINC000161472477 527969295 /nfs/dbraw/zinc/96/92/95/527969295.db2.gz VASRLMDHCMKWRS-MRXNPFEDSA-N 0 1 335.448 2.213 10 70 EEIEMN CCc1c(C(=O)N[C@H](C)Cc2cc(C)[nH]n2)cnn1-c1ccccn1 ZINC000161387976 529488028 /nfs/dbraw/zinc/48/80/28/529488028.db2.gz DYEJCXINTRLFJY-GFCCVEGCSA-N 0 1 338.415 2.222 10 70 EEIEMN Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160315216 463327498 /nfs/dbraw/zinc/32/74/98/463327498.db2.gz DIWYKGCXJIZWLP-CALCHBBNSA-N 0 1 338.455 2.385 10 70 EEIEMN O=C(c1ccn(-c2cccc(Cl)c2)n1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160261688 463325827 /nfs/dbraw/zinc/32/58/27/463325827.db2.gz NXHWLKDCOKLNEL-OKILXGFUSA-N 0 1 330.819 2.492 10 70 EEIEMN Cc1cc(C[C@@H](C)NC(=O)CCc2nnc(C3CCCC3)o2)n[nH]1 ZINC000161318502 463419172 /nfs/dbraw/zinc/41/91/72/463419172.db2.gz YKVWMLRWSADIHV-LLVKDONJSA-N 0 1 331.420 2.439 10 70 EEIEMN Cc1ccc(-c2cc(C(=O)N3CCS(=O)(=O)C(C)(C)C3)n[nH]2)cc1 ZINC000160121835 534172846 /nfs/dbraw/zinc/17/28/46/534172846.db2.gz OAAPCMLQCVVQKV-UHFFFAOYSA-N 0 1 347.440 2.034 10 70 EEIEMN COCCN(CCOC)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000159707396 225262468 /nfs/dbraw/zinc/26/24/68/225262468.db2.gz JVTNDTWHSBXJKS-HNNXBMFYSA-N 0 1 326.824 2.428 10 70 EEIEMN Cc1cc(C[C@@H](C)NC(=O)c2ncccc2OCC(F)(F)F)n[nH]1 ZINC000161179456 311363408 /nfs/dbraw/zinc/36/34/08/311363408.db2.gz JWKMMJYIACKYTC-SECBINFHSA-N 0 1 342.321 2.415 10 70 EEIEMN Cc1c(C(=O)N2C[C@H]3CCC[C@@H](C2)N3)cnn1-c1ccccc1F ZINC000160063350 463316640 /nfs/dbraw/zinc/31/66/40/463316640.db2.gz SNVSBISSCWYYPH-OKILXGFUSA-N 0 1 328.391 2.286 10 70 EEIEMN COCc1ccc(CNC(=O)CN2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000160924770 463383254 /nfs/dbraw/zinc/38/32/54/463383254.db2.gz DYYHPWDELBNMGU-QUCCMNQESA-N 0 1 346.471 2.076 10 70 EEIEMN