smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1ccccc1-c1ccccc1C(F)(F)F ZINC000001256877 360999493 /nfs/dbraw/zinc/99/94/93/360999493.db2.gz BEZCQIFTJXVKMP-UHFFFAOYSA-N 0 0 247.219 4.244 20 30 BIEDRN CCCCCCCSc1ccccn1 ZINC000001671807 643159008 /nfs/dbraw/zinc/15/90/08/643159008.db2.gz DGHCPERLGZPPHQ-UHFFFAOYSA-N 0 0 209.358 4.144 20 30 BIEDRN CCCCCCCC(=O)Nc1ccc(F)cc1 ZINC000001726640 643184419 /nfs/dbraw/zinc/18/44/19/643184419.db2.gz UXHPNCBNISHRQM-UHFFFAOYSA-N 0 0 237.318 4.125 20 30 BIEDRN CCCCCCCC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000001733499 587713002 /nfs/dbraw/zinc/71/30/02/587713002.db2.gz WNTGWHJFMOOLHG-OKILXGFUSA-N 0 0 239.403 4.136 20 30 BIEDRN CCCCCCCC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000001733500 632726614 /nfs/dbraw/zinc/72/66/14/632726614.db2.gz WNTGWHJFMOOLHG-KBPBESRZSA-N 0 0 239.403 4.136 20 30 BIEDRN CCCCCCCCCCSc1nc[nH]n1 ZINC000002684112 631650583 /nfs/dbraw/zinc/65/05/83/631650583.db2.gz QQPUZPNPWOTYIR-UHFFFAOYSA-N 0 0 241.404 4.038 20 30 BIEDRN CCCCCCCCC(=O)NCc1ccccc1 ZINC000003160024 368865645 /nfs/dbraw/zinc/86/56/45/368865645.db2.gz UKEUNMBXPKDBBB-UHFFFAOYSA-N 0 0 247.382 4.053 20 30 BIEDRN CCCCCCCCCCC(=O)NC(C)(C)C ZINC000003160436 634391445 /nfs/dbraw/zinc/39/14/45/634391445.db2.gz WZIFJICYSOLSHK-UHFFFAOYSA-N 0 0 241.419 4.432 20 30 BIEDRN CCCCCCCC(=O)Nc1cccc(C)c1 ZINC000003190714 168648014 /nfs/dbraw/zinc/64/80/14/168648014.db2.gz ZXPDBJYUYVYWDF-UHFFFAOYSA-N 0 0 233.355 4.294 20 30 BIEDRN O=C(/C=C\c1ccccc1Cl)c1cccs1 ZINC000004802298 346606966 /nfs/dbraw/zinc/60/69/66/346606966.db2.gz SYHPAXOZIDMOND-FPLPWBNLSA-N 0 0 248.734 4.298 20 30 BIEDRN Cc1cc(C(=O)/C=C/c2ccsc2)c(C)s1 ZINC000005156296 635230752 /nfs/dbraw/zinc/23/07/52/635230752.db2.gz AXZBMSHBZOLROS-ONEGZZNKSA-N 0 0 248.372 4.323 20 30 BIEDRN O=C(/C=C/c1ccc2ccccc2c1)c1ccco1 ZINC000005669904 384124682 /nfs/dbraw/zinc/12/46/82/384124682.db2.gz WSAXYPRBBGNDPI-CSKARUKUSA-N 0 0 248.281 4.329 20 30 BIEDRN Cc1ccc(/C=C2\Cc3ccccc3C2=O)c(C)c1 ZINC000006340220 635366486 /nfs/dbraw/zinc/36/64/86/635366486.db2.gz DFFPYGOBRBSJMJ-MHWRWJLKSA-N 0 0 248.325 4.126 20 30 BIEDRN Fc1ccc(N=NC2CCCCCC2)c(F)c1 ZINC000006673063 635449357 /nfs/dbraw/zinc/44/93/57/635449357.db2.gz DFHDCXGTPWWYRG-UHFFFAOYSA-N 0 0 238.281 4.087 20 30 BIEDRN O=C(/C=C/c1ccsc1)c1cccc(Cl)c1 ZINC000007743242 636467691 /nfs/dbraw/zinc/46/76/91/636467691.db2.gz GTZFKBOAQLZQIP-SNAWJCMRSA-N 0 0 248.734 4.298 20 30 BIEDRN Fc1ccc(N=NC2CCCCCCC2)cc1 ZINC000007949111 643157386 /nfs/dbraw/zinc/15/73/86/643157386.db2.gz LBSNWJZOMGFEPU-UHFFFAOYSA-N 0 0 234.318 4.338 20 30 BIEDRN CC(C)(C)C1CCC(N=Nc2ccccn2)CC1 ZINC000007993958 636614977 /nfs/dbraw/zinc/61/49/77/636614977.db2.gz OOJSKTDVQQUSMY-UHFFFAOYSA-N 0 0 245.370 4.086 20 30 BIEDRN Cc1ccc(C(=O)/C=C/c2sccc2C)s1 ZINC000008080309 643071020 /nfs/dbraw/zinc/07/10/20/643071020.db2.gz RPTQXAWBGJDAEV-GQCTYLIASA-N 0 0 248.372 4.323 20 30 BIEDRN Cc1cc(C(=O)/C=C/c2cccs2)c(C)s1 ZINC000008322624 643705797 /nfs/dbraw/zinc/70/57/97/643705797.db2.gz PYGKMHGJGZPUHH-AATRIKPKSA-N 0 0 248.372 4.323 20 30 BIEDRN Cc1ccc(C(=O)/C=C/c2cc(C)ccc2C)o1 ZINC000016975940 583405914 /nfs/dbraw/zinc/40/59/14/583405914.db2.gz FXZNLUGRTCUHIU-BQYQJAHWSA-N 0 0 240.302 4.101 20 30 BIEDRN O=C(/C=C\c1ccsc1)c1ccc(Cl)cc1 ZINC000017222010 384485306 /nfs/dbraw/zinc/48/53/06/384485306.db2.gz LLNOMBQBEKFPFK-BHQIHCQQSA-N 0 0 248.734 4.298 20 30 BIEDRN COc1cccc(N=NC2CCCCCCC2)c1 ZINC000019339183 583596619 /nfs/dbraw/zinc/59/66/19/583596619.db2.gz GCTLNEYPLYKYIY-UHFFFAOYSA-N 0 0 246.354 4.207 20 30 BIEDRN Cc1ccc(SCc2cccc(C#N)c2)cc1 ZINC000019847572 188281825 /nfs/dbraw/zinc/28/18/25/188281825.db2.gz LWFGHTFDRLZCMP-UHFFFAOYSA-N 0 0 239.343 4.159 20 30 BIEDRN CC(C)c1ccc(SCCCC#N)cc1 ZINC000019847600 347298004 /nfs/dbraw/zinc/29/80/04/347298004.db2.gz RHOIPGGIGFGQMM-UHFFFAOYSA-N 0 0 219.353 4.206 20 30 BIEDRN Cc1cccc(N[C@H](C)c2ccc(C#N)cc2)c1 ZINC000019877104 179156278 /nfs/dbraw/zinc/15/62/78/179156278.db2.gz DJLIHWMUSWFPOR-CYBMUJFWSA-N 0 0 236.318 4.040 20 30 BIEDRN Cc1cccc(N[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000019877106 179152880 /nfs/dbraw/zinc/15/28/80/179152880.db2.gz DJLIHWMUSWFPOR-ZDUSSCGKSA-N 0 0 236.318 4.040 20 30 BIEDRN Cc1ccc([C@@H](C)Nc2ccc(C#N)cc2)cc1 ZINC000019950977 488161437 /nfs/dbraw/zinc/16/14/37/488161437.db2.gz AQXRBTHTDMETPN-CYBMUJFWSA-N 0 0 236.318 4.040 20 30 BIEDRN Cc1ccc([C@H](C)Nc2ccc(C#N)cc2)cc1 ZINC000019950981 488161494 /nfs/dbraw/zinc/16/14/94/488161494.db2.gz AQXRBTHTDMETPN-ZDUSSCGKSA-N 0 0 236.318 4.040 20 30 BIEDRN Cc1ccc([C@@H](C)Nc2ccc(C#N)cc2)s1 ZINC000019951604 643051774 /nfs/dbraw/zinc/05/17/74/643051774.db2.gz MPYHUWXEMKWZFW-LLVKDONJSA-N 0 0 242.347 4.101 20 30 BIEDRN Cc1ccc([C@H](C)Nc2ccc(C#N)cc2)s1 ZINC000019951608 178899475 /nfs/dbraw/zinc/89/94/75/178899475.db2.gz MPYHUWXEMKWZFW-NSHDSACASA-N 0 0 242.347 4.101 20 30 BIEDRN Cc1ccc(N[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000019964416 371211623 /nfs/dbraw/zinc/21/16/23/371211623.db2.gz QKPIXHMAMGLWIU-CYBMUJFWSA-N 0 0 236.318 4.040 20 30 BIEDRN Cc1ccc(N[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000019964417 371211734 /nfs/dbraw/zinc/21/17/34/371211734.db2.gz QKPIXHMAMGLWIU-ZDUSSCGKSA-N 0 0 236.318 4.040 20 30 BIEDRN Cc1ccccc1N[C@H](C)c1ccc(C#N)cc1 ZINC000019964974 179306660 /nfs/dbraw/zinc/30/66/60/179306660.db2.gz DMVLALIJYMELRH-CYBMUJFWSA-N 0 0 236.318 4.040 20 30 BIEDRN Cc1ccccc1N[C@@H](C)c1ccc(C#N)cc1 ZINC000019964975 179305755 /nfs/dbraw/zinc/30/57/55/179305755.db2.gz DMVLALIJYMELRH-ZDUSSCGKSA-N 0 0 236.318 4.040 20 30 BIEDRN N#Cc1ccc(CSc2cccs2)c(F)c1 ZINC000020078170 181111113 /nfs/dbraw/zinc/11/11/13/181111113.db2.gz YTHFJRFXJIQHCL-UHFFFAOYSA-N 0 0 249.335 4.051 20 30 BIEDRN N#Cc1ccc(F)c(CSc2cccs2)c1 ZINC000020078172 181112517 /nfs/dbraw/zinc/11/25/17/181112517.db2.gz QPHRDWULEBXIEO-UHFFFAOYSA-N 0 0 249.335 4.051 20 30 BIEDRN C#Cc1cccc(NCc2cc3ccccc3o2)c1 ZINC000020085186 590072535 /nfs/dbraw/zinc/07/25/35/590072535.db2.gz AJXOSFJBTHGCDO-UHFFFAOYSA-N 0 0 247.297 4.026 20 30 BIEDRN N#Cc1ccc(NC2CCCCCCC2)cc1 ZINC000020561659 590123838 /nfs/dbraw/zinc/12/38/38/590123838.db2.gz BRKIQXLKSGHZKN-UHFFFAOYSA-N 0 0 228.339 4.083 20 30 BIEDRN C#Cc1cccc(NCc2c(C)cc(C)cc2C)c1 ZINC000021509395 166223953 /nfs/dbraw/zinc/22/39/53/166223953.db2.gz QKVQISKNINEINJ-UHFFFAOYSA-N 0 0 249.357 4.205 20 30 BIEDRN Cc1ccc(C(=O)/C=C/c2ccc(C)cc2C)o1 ZINC000022016418 590296245 /nfs/dbraw/zinc/29/62/45/590296245.db2.gz GLBKYOBQRAJFGJ-BQYQJAHWSA-N 0 0 240.302 4.101 20 30 BIEDRN Cc1ccc(C)c(C(=O)/C=C/c2cccs2)c1 ZINC000032100595 643165084 /nfs/dbraw/zinc/16/50/84/643165084.db2.gz AAMFDKPSHPSJEO-BQYQJAHWSA-N 0 0 242.343 4.261 20 30 BIEDRN CCc1ccc(/C=C2/Cc3ccccc3C2=O)cc1 ZINC000033361782 642099371 /nfs/dbraw/zinc/09/93/71/642099371.db2.gz QGYSZIZHGIBHRJ-WJDWOHSUSA-N 0 0 248.325 4.071 20 30 BIEDRN Cc1ccc(C(=O)/C=C\c2ccccc2)c(C)c1 ZINC000033373924 178369867 /nfs/dbraw/zinc/36/98/67/178369867.db2.gz UYTPHSQRUDNHPA-LUAWRHEFSA-N 0 0 236.314 4.200 20 30 BIEDRN O=C(/C=C\c1ccccc1)c1ccccc1Cl ZINC000033378691 385228932 /nfs/dbraw/zinc/22/89/32/385228932.db2.gz UBJIPXGNVJWNJZ-KHPPLWFESA-N 0 0 242.705 4.236 20 30 BIEDRN O=C(/C=C\c1ccc2ccccc2c1)c1ccco1 ZINC000033378801 181849850 /nfs/dbraw/zinc/84/98/50/181849850.db2.gz WSAXYPRBBGNDPI-NTMALXAHSA-N 0 0 248.281 4.329 20 30 BIEDRN Cc1ccc(C)c(C(=O)/C=C/c2ccccc2)c1 ZINC000033465769 350234886 /nfs/dbraw/zinc/23/48/86/350234886.db2.gz XMPOCVOZKDSRRK-ZHACJKMWSA-N 0 0 236.314 4.200 20 30 BIEDRN O=C(/C=C\c1cccs1)c1cccc(Cl)c1 ZINC000033472191 181850904 /nfs/dbraw/zinc/85/09/04/181850904.db2.gz UFQNOVXSPXDMPW-SREVYHEPSA-N 0 0 248.734 4.298 20 30 BIEDRN Cc1ccc(C(C)(C)C)cc1SCCC#N ZINC000033683046 368262987 /nfs/dbraw/zinc/26/29/87/368262987.db2.gz BNFJVNPQLBYHIL-UHFFFAOYSA-N 0 0 233.380 4.298 20 30 BIEDRN Cc1ccsc1/C=C\C(=O)c1ccc(C)cc1 ZINC000033774491 178370326 /nfs/dbraw/zinc/37/03/26/178370326.db2.gz RBRXCMBVKAZLCI-FPLPWBNLSA-N 0 0 242.343 4.261 20 30 BIEDRN Cc1ccc(/C=C\C(=O)c2ccc(F)cc2)s1 ZINC000033911429 178357669 /nfs/dbraw/zinc/35/76/69/178357669.db2.gz RESDEUOXTVNZGW-HJWRWDBZSA-N 0 0 246.306 4.092 20 30 BIEDRN Cc1ccc(/C=C\C(=O)c2cccs2)c(C)c1 ZINC000033921350 646009114 /nfs/dbraw/zinc/00/91/14/646009114.db2.gz URDCDPIZGYJTSI-FPLPWBNLSA-N 0 0 242.343 4.261 20 30 BIEDRN C=C(Cl)COc1cc(Cl)ccc1Cl ZINC000034182319 343266012 /nfs/dbraw/zinc/26/60/12/343266012.db2.gz CVHFZKBYSRDBFH-UHFFFAOYSA-N 0 0 237.513 4.125 20 30 BIEDRN C=CCSCc1ccc(Cl)c(Cl)c1 ZINC000034275049 355823419 /nfs/dbraw/zinc/82/34/19/355823419.db2.gz RIMJTNKYCNSFMZ-UHFFFAOYSA-N 0 0 233.163 4.413 20 30 BIEDRN Cc1cccc(Sc2cccc(F)c2C#N)c1 ZINC000034458343 262776004 /nfs/dbraw/zinc/77/60/04/262776004.db2.gz HQBYHCSHPARRLY-UHFFFAOYSA-N 0 0 243.306 4.157 20 30 BIEDRN CCCC(CCC)N=Nc1ccccc1 ZINC000034583487 711478240 /nfs/dbraw/zinc/47/82/40/711478240.db2.gz IHQLTNRXJHCJDD-UHFFFAOYSA-N 0 0 204.317 4.055 20 30 BIEDRN O=C(/C=C\c1ccccc1)c1cccc(Cl)c1 ZINC000034877442 181849861 /nfs/dbraw/zinc/84/98/61/181849861.db2.gz CTOPNSVRZAUZGA-KTKRTIGZSA-N 0 0 242.705 4.236 20 30 BIEDRN N#CCCCOc1ccc(Cl)c2ccccc12 ZINC000035055520 188466576 /nfs/dbraw/zinc/46/65/76/188466576.db2.gz DRHJOZORYNAQQC-UHFFFAOYSA-N 0 0 245.709 4.176 20 30 BIEDRN N#CCCCSc1ccc2ccccc2c1 ZINC000035120982 188467104 /nfs/dbraw/zinc/46/71/04/188467104.db2.gz GXWCWWOALRORNE-UHFFFAOYSA-N 0 0 227.332 4.236 20 30 BIEDRN C=CCOc1ccc(Cl)c2ccccc12 ZINC000035994073 360535901 /nfs/dbraw/zinc/53/59/01/360535901.db2.gz HPEJOYDSMVYEFT-UHFFFAOYSA-N 0 0 218.683 4.058 20 30 BIEDRN CCCCC[C@@H](C)Nc1cccc(F)c1C#N ZINC000036138425 640371584 /nfs/dbraw/zinc/37/15/84/640371584.db2.gz JIOLGUACFAWNLJ-LLVKDONJSA-N 0 0 234.318 4.078 20 30 BIEDRN CCCCC[C@H](C)Nc1cccc(F)c1C#N ZINC000036138427 640371190 /nfs/dbraw/zinc/37/11/90/640371190.db2.gz JIOLGUACFAWNLJ-NSHDSACASA-N 0 0 234.318 4.078 20 30 BIEDRN CCCSc1ccc(C#N)c(C(F)(F)F)c1 ZINC000036805640 169341025 /nfs/dbraw/zinc/34/10/25/169341025.db2.gz CUMRETWHEPZEIN-UHFFFAOYSA-N 0 0 245.269 4.079 20 30 in-vivo BIEDRN C#Cc1cccc(NC2CC(c3ccccc3)C2)c1 ZINC000036840318 187254266 /nfs/dbraw/zinc/25/42/66/187254266.db2.gz PVBTUBYOFYWOFU-UHFFFAOYSA-N 0 0 247.341 4.026 20 30 BIEDRN CCC(CC)CNc1ccc(C#N)c(Cl)c1 ZINC000036964008 168365001 /nfs/dbraw/zinc/36/50/01/168365001.db2.gz MDQHSDIGJPRMQS-UHFFFAOYSA-N 0 0 236.746 4.060 20 30 BIEDRN CCCCC[C@@H](C)Nc1ccc(CC#N)cc1 ZINC000037071184 712533762 /nfs/dbraw/zinc/53/37/62/712533762.db2.gz ZRWBTGCMLLWFQW-CYBMUJFWSA-N 0 0 230.355 4.133 20 30 BIEDRN CCCCC[C@H](C)Nc1ccc(CC#N)cc1 ZINC000037071185 712533784 /nfs/dbraw/zinc/53/37/84/712533784.db2.gz ZRWBTGCMLLWFQW-ZDUSSCGKSA-N 0 0 230.355 4.133 20 30 BIEDRN N#CCc1ccc(NC2CCCCCCC2)cc1 ZINC000037071270 712533636 /nfs/dbraw/zinc/53/36/36/712533636.db2.gz UVEDYTSVMAGDEE-UHFFFAOYSA-N 0 0 242.366 4.277 20 30 BIEDRN CCC1CCC(Nc2ccc(CC#N)cc2)CC1 ZINC000037071271 324245426 /nfs/dbraw/zinc/24/54/26/324245426.db2.gz OHZWFAQWAGDAHA-UHFFFAOYSA-N 0 0 242.366 4.133 20 30 BIEDRN CC[C@@H](C)C[C@@H](CC)Nc1ccc(CC#N)cc1 ZINC000037071384 324245454 /nfs/dbraw/zinc/24/54/54/324245454.db2.gz JFFILQVYHNNPJY-UKRRQHHQSA-N 0 0 244.382 4.379 20 30 BIEDRN CC[C@H](C[C@@H](C)CC)Nc1ccc(CC#N)cc1 ZINC000037071385 324245635 /nfs/dbraw/zinc/24/56/35/324245635.db2.gz JFFILQVYHNNPJY-DZGCQCFKSA-N 0 0 244.382 4.379 20 30 BIEDRN CC[C@@H](C)C[C@H](CC)Nc1ccc(CC#N)cc1 ZINC000037071386 324245462 /nfs/dbraw/zinc/24/54/62/324245462.db2.gz JFFILQVYHNNPJY-HIFRSBDPSA-N 0 0 244.382 4.379 20 30 BIEDRN CC[C@H](C)C[C@H](CC)Nc1ccc(CC#N)cc1 ZINC000037071387 324245696 /nfs/dbraw/zinc/24/56/96/324245696.db2.gz JFFILQVYHNNPJY-ZFWWWQNUSA-N 0 0 244.382 4.379 20 30 BIEDRN CCCC(CCC)Nc1ccc(CC#N)cc1 ZINC000037071396 322902240 /nfs/dbraw/zinc/90/22/40/322902240.db2.gz QBFKZJPDDGFYAU-UHFFFAOYSA-N 0 0 230.355 4.133 20 30 BIEDRN Cc1cccc(N[C@@H](C)c2cccc(C#N)c2)c1 ZINC000037185450 388208577 /nfs/dbraw/zinc/20/85/77/388208577.db2.gz QOWMEWBGGYNVBW-ZDUSSCGKSA-N 0 0 236.318 4.040 20 30 BIEDRN Cc1cccc(N[C@H](C)c2cccc(C#N)c2)c1 ZINC000037185451 388208785 /nfs/dbraw/zinc/20/87/85/388208785.db2.gz QOWMEWBGGYNVBW-CYBMUJFWSA-N 0 0 236.318 4.040 20 30 BIEDRN Cc1ccc(N[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000037215919 388237545 /nfs/dbraw/zinc/23/75/45/388237545.db2.gz DJPJKISSBCFDHP-ZDUSSCGKSA-N 0 0 236.318 4.040 20 30 BIEDRN Cc1ccc(N[C@H](C)c2cccc(C#N)c2)cc1 ZINC000037215920 324438095 /nfs/dbraw/zinc/43/80/95/324438095.db2.gz DJPJKISSBCFDHP-CYBMUJFWSA-N 0 0 236.318 4.040 20 30 BIEDRN Cc1ccccc1N[C@@H](C)c1cccc(C#N)c1 ZINC000037216469 388237548 /nfs/dbraw/zinc/23/75/48/388237548.db2.gz VJRZXXRYPXSFEY-ZDUSSCGKSA-N 0 0 236.318 4.040 20 30 BIEDRN Cc1ccccc1N[C@H](C)c1cccc(C#N)c1 ZINC000037216470 324439012 /nfs/dbraw/zinc/43/90/12/324439012.db2.gz VJRZXXRYPXSFEY-CYBMUJFWSA-N 0 0 236.318 4.040 20 30 BIEDRN C[C@H](Nc1cccc(F)c1C#N)C1CCCCC1 ZINC000037268860 388244388 /nfs/dbraw/zinc/24/43/88/388244388.db2.gz HUUYZQATHKSVEG-NSHDSACASA-N 0 0 246.329 4.078 20 30 BIEDRN C[C@@H](Nc1cccc(F)c1C#N)C1CCCCC1 ZINC000037268862 324522513 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KLNOJHXSVJYQQJ-UHFFFAOYSA-N 0 0 230.355 4.045 20 30 BIEDRN Cc1cc(C)cc(NCCCC(C)(C)C#N)c1 ZINC000087597162 383853771 /nfs/dbraw/zinc/85/37/71/383853771.db2.gz GTKWVOPOPYODCX-UHFFFAOYSA-N 0 0 230.355 4.045 20 30 BIEDRN Cc1cccc(NCCCC(C)(C)C#N)c1C ZINC000087597201 383852651 /nfs/dbraw/zinc/85/26/51/383852651.db2.gz ZWZSNFZNCBVJOP-UHFFFAOYSA-N 0 0 230.355 4.045 20 30 BIEDRN Cc1ccc(C)c(NCCCC(C)(C)C#N)c1 ZINC000087597204 134425947 /nfs/dbraw/zinc/42/59/47/134425947.db2.gz DTCMAWMFLFFLSW-UHFFFAOYSA-N 0 0 230.355 4.045 20 30 BIEDRN CCCc1ccc(NCCCC(C)(C)C#N)cc1 ZINC000087597295 640939605 /nfs/dbraw/zinc/93/96/05/640939605.db2.gz GFWAXXCQONVGMS-UHFFFAOYSA-N 0 0 244.382 4.381 20 30 BIEDRN CCCc1ccccc1NCCCC(C)(C)C#N ZINC000087597798 398040435 /nfs/dbraw/zinc/04/04/35/398040435.db2.gz QSHMECQJVPAOAZ-UHFFFAOYSA-N 0 0 244.382 4.381 20 30 BIEDRN Cc1cccc(C)c1NCCCC(C)(C)C#N ZINC000087598075 359920325 /nfs/dbraw/zinc/92/03/25/359920325.db2.gz YRSRGPRGXUXIBO-UHFFFAOYSA-N 0 0 230.355 4.045 20 30 BIEDRN CCN(CCCC(C)(C)C#N)c1ccccc1C ZINC000087608415 383853907 /nfs/dbraw/zinc/85/39/07/383853907.db2.gz SMCGBVGMRPYVID-UHFFFAOYSA-N 0 0 244.382 4.151 20 30 BIEDRN CCN(CCCC(C)(C)C#N)c1cccc(C)c1 ZINC000087608516 383853867 /nfs/dbraw/zinc/85/38/67/383853867.db2.gz WDZIOUAYSMRAPW-UHFFFAOYSA-N 0 0 244.382 4.151 20 30 BIEDRN Cc1cc(C)cc(N(C)CCCC(C)(C)C#N)c1 ZINC000087608668 383853749 /nfs/dbraw/zinc/85/37/49/383853749.db2.gz LITYIMDVHNYMPM-UHFFFAOYSA-N 0 0 244.382 4.070 20 30 BIEDRN Cc1ccc(N(C)CCCC(C)(C)C#N)c(C)c1 ZINC000087608669 640941035 /nfs/dbraw/zinc/94/10/35/640941035.db2.gz QEANPKLFBRFVEO-UHFFFAOYSA-N 0 0 244.382 4.070 20 30 BIEDRN CCN(CCCC(C)(C)C#N)c1ccc(C)cc1 ZINC000087608670 640941149 /nfs/dbraw/zinc/94/11/49/640941149.db2.gz NCUBXWRQOKPIMA-UHFFFAOYSA-N 0 0 244.382 4.151 20 30 BIEDRN Cc1cc(C)c(C)c(OCCCC(C)(C)C#N)c1 ZINC000087608970 384410005 /nfs/dbraw/zinc/41/00/05/384410005.db2.gz XYQDKUZISHFJOY-UHFFFAOYSA-N 0 0 245.366 4.321 20 30 BIEDRN CCCc1ccc(OCCCC(C)(C)C#N)cc1 ZINC000087609048 384409730 /nfs/dbraw/zinc/40/97/30/384409730.db2.gz IDWXNFNLLRZERK-UHFFFAOYSA-N 0 0 245.366 4.348 20 30 BIEDRN CSc1ccccc1OCCCC(C)(C)C#N ZINC000087609055 384410088 /nfs/dbraw/zinc/41/00/88/384410088.db2.gz QSFSMOOPPDKPKZ-UHFFFAOYSA-N 0 0 249.379 4.117 20 30 BIEDRN CSc1ccc(OCCCC(C)(C)C#N)cc1 ZINC000087609056 383854021 /nfs/dbraw/zinc/85/40/21/383854021.db2.gz IKLYIYBPFBEGLQ-UHFFFAOYSA-N 0 0 249.379 4.117 20 30 BIEDRN CC(C)(C#N)CCCSc1ccccc1 ZINC000087609084 534984574 /nfs/dbraw/zinc/98/45/74/534984574.db2.gz IIUKFCAAEJCWEI-UHFFFAOYSA-N 0 0 219.353 4.109 20 30 BIEDRN CC(C)(C#N)CCCSCc1ccccc1 ZINC000087609088 256572789 /nfs/dbraw/zinc/57/27/89/256572789.db2.gz QHDASUOFDLVQPG-UHFFFAOYSA-N 0 0 233.380 4.250 20 30 BIEDRN CC(C)(C#N)CCCSc1ccccc1F ZINC000087609091 384408609 /nfs/dbraw/zinc/40/86/09/384408609.db2.gz WQBYGKJXYPXKFT-UHFFFAOYSA-N 0 0 237.343 4.248 20 30 BIEDRN COc1cccc(SCCCC(C)(C)C#N)c1 ZINC000087609093 383853787 /nfs/dbraw/zinc/85/37/87/383853787.db2.gz ITSNKCRPYULMAL-UHFFFAOYSA-N 0 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C[C@@H](CCC#N)S[C@H]1CCCc2ccccc21 ZINC000188302939 323090883 /nfs/dbraw/zinc/09/08/83/323090883.db2.gz KMLDURICGXKTIS-WFASDCNBSA-N 0 0 245.391 4.489 20 30 BIEDRN C[C@H](CCC#N)S[C@H]1CCCc2ccccc21 ZINC000188302967 323090881 /nfs/dbraw/zinc/09/08/81/323090881.db2.gz KMLDURICGXKTIS-DOMZBBRYSA-N 0 0 245.391 4.489 20 30 BIEDRN C[C@@H](CCC#N)Sc1cccc(Cl)c1 ZINC000188308408 134940633 /nfs/dbraw/zinc/94/06/33/134940633.db2.gz BWTZXGYRFFWYBC-VIFPVBQESA-N 0 0 225.744 4.124 20 30 BIEDRN C[C@H](CCC#N)Sc1cccc(Cl)c1 ZINC000188308424 347277254 /nfs/dbraw/zinc/27/72/54/347277254.db2.gz BWTZXGYRFFWYBC-SECBINFHSA-N 0 0 225.744 4.124 20 30 BIEDRN Cc1ccc(C)c(CS[C@@H](C)CCC#N)c1 ZINC000188313627 323091084 /nfs/dbraw/zinc/09/10/84/323091084.db2.gz JRAAUWWIHHZJTR-ZDUSSCGKSA-N 0 0 233.380 4.229 20 30 BIEDRN Cc1ccc(C)c(CS[C@H](C)CCC#N)c1 ZINC000188313654 323091099 /nfs/dbraw/zinc/09/10/99/323091099.db2.gz JRAAUWWIHHZJTR-CYBMUJFWSA-N 0 0 233.380 4.229 20 30 BIEDRN CC(C)(CCC#N)CNc1ccsc1Cl ZINC000189528677 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C[C@@H](SCCCC#N)c1cc(F)ccc1F ZINC000190919589 357733569 /nfs/dbraw/zinc/73/35/69/357733569.db2.gz ZDNXHLABNXKMSV-SECBINFHSA-N 0 0 241.306 4.063 20 30 BIEDRN C[C@H](SCCCC#N)c1ccc(F)c(F)c1 ZINC000190921308 347337711 /nfs/dbraw/zinc/33/77/11/347337711.db2.gz KGRILRPQKSZLOB-VIFPVBQESA-N 0 0 241.306 4.063 20 30 BIEDRN C[C@@H](SCCCC#N)c1ccc(F)c(F)c1 ZINC000190921325 134949886 /nfs/dbraw/zinc/94/98/86/134949886.db2.gz KGRILRPQKSZLOB-SECBINFHSA-N 0 0 241.306 4.063 20 30 BIEDRN C[C@H](SCCCC#N)c1ccc(F)cc1F ZINC000190921496 347337650 /nfs/dbraw/zinc/33/76/50/347337650.db2.gz NLKKUTSXDSHWRM-VIFPVBQESA-N 0 0 241.306 4.063 20 30 BIEDRN C[C@@H](SCCCC#N)c1ccc(F)cc1F ZINC000190921510 347337717 /nfs/dbraw/zinc/33/77/17/347337717.db2.gz NLKKUTSXDSHWRM-SECBINFHSA-N 0 0 241.306 4.063 20 30 BIEDRN C[C@H](SCCCC#N)c1cccc(Cl)c1 ZINC000190921678 357733588 /nfs/dbraw/zinc/73/35/88/357733588.db2.gz XALWNQYHORNVGU-JTQLQIEISA-N 0 0 239.771 4.438 20 30 BIEDRN C[C@@H](SCCCC#N)c1cccc(Cl)c1 ZINC000190921696 357733517 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/nfs/dbraw/zinc/14/73/22/201147322.db2.gz YEVGUCRUCNKXOM-OCCSQVGLSA-N 0 0 231.364 4.088 20 30 BIEDRN Cc1ccc(S[C@@H]2CC[C@@H](C#N)C2)cc1C ZINC000430128322 201147761 /nfs/dbraw/zinc/14/77/61/201147761.db2.gz YEVGUCRUCNKXOM-TZMCWYRMSA-N 0 0 231.364 4.088 20 30 BIEDRN N#C[C@@H]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000430139584 201147698 /nfs/dbraw/zinc/14/76/98/201147698.db2.gz KVXRIWOPRVFOOE-BXKDBHETSA-N 0 0 237.755 4.124 20 30 BIEDRN N#C[C@H]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000430139585 201147789 /nfs/dbraw/zinc/14/77/89/201147789.db2.gz KVXRIWOPRVFOOE-CABZTGNLSA-N 0 0 237.755 4.124 20 30 BIEDRN N#C[C@H]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000430139586 201146419 /nfs/dbraw/zinc/14/64/19/201146419.db2.gz KVXRIWOPRVFOOE-JOYOIKCWSA-N 0 0 237.755 4.124 20 30 BIEDRN N#C[C@@H]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000430139587 201146202 /nfs/dbraw/zinc/14/62/02/201146202.db2.gz KVXRIWOPRVFOOE-SKDRFNHKSA-N 0 0 237.755 4.124 20 30 BIEDRN Cc1ccc(C)c(S[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000430139733 201146671 /nfs/dbraw/zinc/14/66/71/201146671.db2.gz LJRBUGJNPVSACI-CHWSQXEVSA-N 0 0 231.364 4.088 20 30 BIEDRN Cc1ccc(C)c(S[C@H]2CC[C@@H](C#N)C2)c1 ZINC000430139734 201147711 /nfs/dbraw/zinc/14/77/11/201147711.db2.gz LJRBUGJNPVSACI-OLZOCXBDSA-N 0 0 231.364 4.088 20 30 BIEDRN Cc1ccc(C)c(S[C@@H]2CC[C@H](C#N)C2)c1 ZINC000430139735 201147689 /nfs/dbraw/zinc/14/76/89/201147689.db2.gz LJRBUGJNPVSACI-QWHCGFSZSA-N 0 0 231.364 4.088 20 30 BIEDRN Cc1ccc(C)c(S[C@H]2CC[C@H](C#N)C2)c1 ZINC000430139736 201147084 /nfs/dbraw/zinc/14/70/84/201147084.db2.gz LJRBUGJNPVSACI-STQMWFEESA-N 0 0 231.364 4.088 20 30 BIEDRN Cc1ccc(S[C@@H]2CC[C@@H](C#N)C2)c(C)c1 ZINC000430140800 201146941 /nfs/dbraw/zinc/14/69/41/201146941.db2.gz PQOVYCJZQWEKOK-CHWSQXEVSA-N 0 0 231.364 4.088 20 30 BIEDRN Cc1ccc(S[C@H]2CC[C@@H](C#N)C2)c(C)c1 ZINC000430140802 201147651 /nfs/dbraw/zinc/14/76/51/201147651.db2.gz PQOVYCJZQWEKOK-OLZOCXBDSA-N 0 0 231.364 4.088 20 30 BIEDRN Cc1ccc(S[C@@H]2CC[C@H](C#N)C2)c(C)c1 ZINC000430140803 201146821 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0 0 238.400 4.054 20 30 BIEDRN C=CCCCOc1cnccc1-c1ccccc1 ZINC000434740295 201237248 /nfs/dbraw/zinc/23/72/48/201237248.db2.gz ZHRPPWWUMVTIQA-UHFFFAOYSA-N 0 0 239.318 4.094 20 30 BIEDRN C=C(CC)COc1cnccc1-c1ccccc1 ZINC000434751944 201237049 /nfs/dbraw/zinc/23/70/49/201237049.db2.gz JWYSPDCVUALQJI-UHFFFAOYSA-N 0 0 239.318 4.094 20 30 BIEDRN Cc1ccc(CSc2cccc(C#N)c2)cc1 ZINC000435037604 201248907 /nfs/dbraw/zinc/24/89/07/201248907.db2.gz OTEVETDNRXVPFU-UHFFFAOYSA-N 0 0 239.343 4.159 20 30 BIEDRN C/C=C\CSCCCCC(C)(C)C#N ZINC000435879192 201292701 /nfs/dbraw/zinc/29/27/01/201292701.db2.gz BEQFKTMRJUBTER-PLNGDYQASA-N 0 0 211.374 4.016 20 30 BIEDRN CCc1ccccc1CCSCCCCC#N ZINC000435880441 201291384 /nfs/dbraw/zinc/29/13/84/201291384.db2.gz JEZDMXWTKYLXBX-UHFFFAOYSA-N 0 0 247.407 4.219 20 30 BIEDRN C=C(CC)CSCCCCC(C)(C)C#N ZINC000435880822 201293069 /nfs/dbraw/zinc/29/30/69/201293069.db2.gz LPSHPGKHUJYWST-UHFFFAOYSA-N 0 0 225.401 4.406 20 30 BIEDRN C=CCSCc1nc(-c2ccccc2)cs1 ZINC000435883856 201296428 /nfs/dbraw/zinc/29/64/28/201296428.db2.gz BXAZQMIQYIZUMQ-UHFFFAOYSA-N 0 0 247.388 4.229 20 30 BIEDRN CC(C)(C#N)CCCCSCCC1CC1 ZINC000435883959 201295174 /nfs/dbraw/zinc/29/51/74/201295174.db2.gz NOIOLQBANKQLEY-UHFFFAOYSA-N 0 0 225.401 4.240 20 30 BIEDRN CC(C)(C#N)CCCCSCC1CCC1 ZINC000435883983 201296911 /nfs/dbraw/zinc/29/69/11/201296911.db2.gz NVGREHBRNGTCOP-UHFFFAOYSA-N 0 0 225.401 4.240 20 30 BIEDRN C=CCCCSCCCCC(C)(C)C#N ZINC000435888396 201294614 /nfs/dbraw/zinc/29/46/14/201294614.db2.gz IEMNFRMSXBFSEG-UHFFFAOYSA-N 0 0 225.401 4.406 20 30 BIEDRN CC[C@@H](C#N)SCc1ccc(C(C)C)cc1 ZINC000436049663 201306386 /nfs/dbraw/zinc/30/63/86/201306386.db2.gz MDHVTVJQIFJWDL-AWEZNQCLSA-N 0 0 233.380 4.345 20 30 BIEDRN CC[C@H](C#N)SCc1ccc(C(C)C)cc1 ZINC000436049664 201306248 /nfs/dbraw/zinc/30/62/48/201306248.db2.gz MDHVTVJQIFJWDL-CQSZACIVSA-N 0 0 233.380 4.345 20 30 BIEDRN CC[C@H](C#N)Sc1c(Cl)cccc1Cl ZINC000436053422 201309472 /nfs/dbraw/zinc/30/94/72/201309472.db2.gz NXWVEFYOXKHXTP-SSDOTTSWSA-N 0 0 246.162 4.388 20 30 BIEDRN CC[C@@H](C#N)Sc1c(Cl)cccc1Cl ZINC000436053448 201309237 /nfs/dbraw/zinc/30/92/37/201309237.db2.gz NXWVEFYOXKHXTP-ZETCQYMHSA-N 0 0 246.162 4.388 20 30 BIEDRN C=C(C)CSc1nc(-c2ccccc2)co1 ZINC000436239611 201313774 /nfs/dbraw/zinc/31/37/74/201313774.db2.gz IEPQMQVRMXFCLZ-UHFFFAOYSA-N 0 0 231.320 4.010 20 30 BIEDRN C=CCCSc1nc(-c2ccccc2)co1 ZINC000436245405 201314438 /nfs/dbraw/zinc/31/44/38/201314438.db2.gz MWIHHRWSVAFLCG-UHFFFAOYSA-N 0 0 231.320 4.010 20 30 BIEDRN C=CCSCCc1ccc2ccccc2c1 ZINC000437265994 201349054 /nfs/dbraw/zinc/34/90/54/201349054.db2.gz JKTBVLWURSCZJR-UHFFFAOYSA-N 0 0 228.360 4.302 20 30 BIEDRN C[C@@H](SCC1CCC1)c1ccc(C#N)cc1 ZINC000437276513 201350174 /nfs/dbraw/zinc/35/01/74/201350174.db2.gz NZHHVARTBUPCLA-LLVKDONJSA-N 0 0 231.364 4.153 20 30 BIEDRN C[C@H](SCC1CCC1)c1ccc(C#N)cc1 ZINC000437276518 201348847 /nfs/dbraw/zinc/34/88/47/201348847.db2.gz NZHHVARTBUPCLA-NSHDSACASA-N 0 0 231.364 4.153 20 30 BIEDRN C=CCCS[C@H](C)c1cccc(C)c1 ZINC000437287269 201349292 /nfs/dbraw/zinc/34/92/92/201349292.db2.gz KMLTYPOOPZYIJJ-GFCCVEGCSA-N 0 0 206.354 4.365 20 30 BIEDRN C=CCCS[C@@H](C)c1cccc(C)c1 ZINC000437287270 201350237 /nfs/dbraw/zinc/35/02/37/201350237.db2.gz KMLTYPOOPZYIJJ-LBPRGKRZSA-N 0 0 206.354 4.365 20 30 BIEDRN C=C(CC)COc1ccccc1-c1nccs1 ZINC000438305691 386579321 /nfs/dbraw/zinc/57/93/21/386579321.db2.gz OLVBCKRYXAQTBK-UHFFFAOYSA-N 0 0 245.347 4.155 20 30 BIEDRN C/C=C\CSCc1ccc(C#N)cc1Cl ZINC000438859908 386811154 /nfs/dbraw/zinc/81/11/54/386811154.db2.gz GAKYSJGYWWEGST-IHWYPQMZSA-N 0 0 237.755 4.021 20 30 BIEDRN C/C=C/CSCc1ccc(C#N)cc1Cl ZINC000438859909 386812084 /nfs/dbraw/zinc/81/20/84/386812084.db2.gz GAKYSJGYWWEGST-NSCUHMNNSA-N 0 0 237.755 4.021 20 30 BIEDRN C=C(C)CSCc1ccc(C#N)cc1Cl ZINC000438876895 387959799 /nfs/dbraw/zinc/95/97/99/387959799.db2.gz NUPGLQUAFMHMDK-UHFFFAOYSA-N 0 0 237.755 4.021 20 30 BIEDRN N#Cc1ccccc1SCCC1CCCC1 ZINC000439691342 387046630 /nfs/dbraw/zinc/04/66/30/387046630.db2.gz AWRBRWXJZKBDER-UHFFFAOYSA-N 0 0 231.364 4.231 20 30 BIEDRN CC[C@@H](F)CSc1cccc(Cl)c1C#N ZINC000440581526 201494473 /nfs/dbraw/zinc/49/44/73/201494473.db2.gz DLHHHPBXIBITAL-MRVPVSSYSA-N 0 0 243.734 4.052 20 30 BIEDRN CC[C@H](F)CSc1cccc(Cl)c1C#N ZINC000440581531 387345060 /nfs/dbraw/zinc/34/50/60/387345060.db2.gz DLHHHPBXIBITAL-QMMMGPOBSA-N 0 0 243.734 4.052 20 30 BIEDRN CC(C)(C)CS[C@H](C#N)C1CCCCC1 ZINC000440584226 201494509 /nfs/dbraw/zinc/49/45/09/201494509.db2.gz VRXGPGXLBNEFSV-GFCCVEGCSA-N 0 0 225.401 4.238 20 30 BIEDRN CC(C)(C)CS[C@@H](C#N)C1CCCCC1 ZINC000440584227 388056980 /nfs/dbraw/zinc/05/69/80/388056980.db2.gz VRXGPGXLBNEFSV-LBPRGKRZSA-N 0 0 225.401 4.238 20 30 BIEDRN CC(C)(C)CSCCCC(C)(C)C#N ZINC000440584856 201495132 /nfs/dbraw/zinc/49/51/32/201495132.db2.gz XQBOLHOYKLZTFY-UHFFFAOYSA-N 0 0 213.390 4.096 20 30 BIEDRN CC[C@@H](F)CSc1ccc(C#N)cc1Cl ZINC000440590207 387364550 /nfs/dbraw/zinc/36/45/50/387364550.db2.gz JSUZJJUKNJORFX-SECBINFHSA-N 0 0 243.734 4.052 20 30 BIEDRN CC[C@H](F)CSc1ccc(C#N)cc1Cl ZINC000440590209 201495418 /nfs/dbraw/zinc/49/54/18/201495418.db2.gz JSUZJJUKNJORFX-VIFPVBQESA-N 0 0 243.734 4.052 20 30 BIEDRN CC(C)(C)CSCCCCC(C)(C)C#N ZINC000440591711 388058923 /nfs/dbraw/zinc/05/89/23/388058923.db2.gz BQXYMAFHVOEWQY-UHFFFAOYSA-N 0 0 227.417 4.486 20 30 BIEDRN C[C@@H](SCC(C)(C)C)c1ccc(C#N)cc1 ZINC000440591848 387363086 /nfs/dbraw/zinc/36/30/86/387363086.db2.gz SXNCFUOSKDFFRC-LLVKDONJSA-N 0 0 233.380 4.399 20 30 BIEDRN C[C@H](SCC(C)(C)C)c1ccc(C#N)cc1 ZINC000440591849 201496000 /nfs/dbraw/zinc/49/60/00/201496000.db2.gz SXNCFUOSKDFFRC-NSHDSACASA-N 0 0 233.380 4.399 20 30 BIEDRN CC(C)(C)CSCc1ccc(CC#N)cc1 ZINC000440604872 388062523 /nfs/dbraw/zinc/06/25/23/388062523.db2.gz UWXMPGHDUOWOKP-UHFFFAOYSA-N 0 0 233.380 4.032 20 30 BIEDRN C[C@@H](SCC(C)(C)C)c1cccc(C#N)c1 ZINC000440606145 387376646 /nfs/dbraw/zinc/37/66/46/387376646.db2.gz RVQINMWJOJGMFM-LLVKDONJSA-N 0 0 233.380 4.399 20 30 BIEDRN C[C@H](SCC(C)(C)C)c1cccc(C#N)c1 ZINC000440606146 387377480 /nfs/dbraw/zinc/37/74/80/387377480.db2.gz RVQINMWJOJGMFM-NSHDSACASA-N 0 0 233.380 4.399 20 30 BIEDRN CC[C@H](F)CS[C@@H](C)c1cccc(C#N)c1 ZINC000442547855 388354122 /nfs/dbraw/zinc/35/41/22/388354122.db2.gz XZPUFCZTFZVNNS-GWCFXTLKSA-N 0 0 237.343 4.101 20 30 BIEDRN CC[C@@H](F)CS[C@@H](C)c1cccc(C#N)c1 ZINC000442547862 201572276 /nfs/dbraw/zinc/57/22/76/201572276.db2.gz XZPUFCZTFZVNNS-GXFFZTMASA-N 0 0 237.343 4.101 20 30 BIEDRN CC[C@H](F)CS[C@H](C)c1cccc(C#N)c1 ZINC000442547866 201572644 /nfs/dbraw/zinc/57/26/44/201572644.db2.gz XZPUFCZTFZVNNS-MFKMUULPSA-N 0 0 237.343 4.101 20 30 BIEDRN CC[C@@H](F)CS[C@H](C)c1cccc(C#N)c1 ZINC000442547869 201572478 /nfs/dbraw/zinc/57/24/78/201572478.db2.gz XZPUFCZTFZVNNS-ZWNOBZJWSA-N 0 0 237.343 4.101 20 30 BIEDRN CC[C@H](F)CS[C@@H](C)c1ccc(C#N)cc1 ZINC000442550165 387803678 /nfs/dbraw/zinc/80/36/78/387803678.db2.gz CPAUHFQQNAQOSW-GWCFXTLKSA-N 0 0 237.343 4.101 20 30 BIEDRN CC[C@@H](F)CS[C@@H](C)c1ccc(C#N)cc1 ZINC000442550168 388354106 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C=CCCC[C@@H](C)Sc1nccn1C(C)C ZINC000462397037 361951993 /nfs/dbraw/zinc/95/19/93/361951993.db2.gz LLHMXEADZCUZIW-GFCCVEGCSA-N 0 0 238.400 4.301 20 30 BIEDRN C=CCCC[C@H](C)Sc1nccn1C(C)C ZINC000462397038 527297691 /nfs/dbraw/zinc/29/76/91/527297691.db2.gz LLHMXEADZCUZIW-LBPRGKRZSA-N 0 0 238.400 4.301 20 30 BIEDRN C=CCCCOc1ccc(OC)c2ccccc12 ZINC000462654463 388270222 /nfs/dbraw/zinc/27/02/22/388270222.db2.gz IORUIYFAGSVVGX-UHFFFAOYSA-N 0 0 242.318 4.193 20 30 BIEDRN C=CCCCC(=O)Nc1cccc(C2CCC2)c1 ZINC000462731997 388270324 /nfs/dbraw/zinc/27/03/24/388270324.db2.gz SISJBUOKSHJWCO-UHFFFAOYSA-N 0 0 243.350 4.249 20 30 BIEDRN C=CCCCCCN(C)c1nccc2occc21 ZINC000462864643 388273455 /nfs/dbraw/zinc/27/34/55/388273455.db2.gz VNUXPHFVJASKLB-UHFFFAOYSA-N 0 0 244.338 4.010 20 30 BIEDRN N#C[C@H]1CC[C@@H](Nc2cccc(C3CCC3)c2)C1 ZINC000462874184 388273873 /nfs/dbraw/zinc/27/38/73/388273873.db2.gz OMDGVUAIKKCWHL-BLLLJJGKSA-N 0 0 240.350 4.058 20 30 BIEDRN N#C[C@H]1CC[C@H](Nc2cccc(C3CCC3)c2)C1 ZINC000462874185 224948056 /nfs/dbraw/zinc/94/80/56/224948056.db2.gz OMDGVUAIKKCWHL-LRDDRELGSA-N 0 0 240.350 4.058 20 30 BIEDRN N#C[C@@H]1CC[C@@H](Nc2cccc(C3CCC3)c2)C1 ZINC000462874187 388273863 /nfs/dbraw/zinc/27/38/63/388273863.db2.gz OMDGVUAIKKCWHL-MLGOLLRUSA-N 0 0 240.350 4.058 20 30 BIEDRN N#C[C@@H]1CC[C@H](Nc2cccc(C3CCC3)c2)C1 ZINC000462874189 388273338 /nfs/dbraw/zinc/27/33/38/388273338.db2.gz OMDGVUAIKKCWHL-WBMJQRKESA-N 0 0 240.350 4.058 20 30 BIEDRN C=CCCCS[C@H](C)c1ccccc1OC ZINC000463193893 388088921 /nfs/dbraw/zinc/08/89/21/388088921.db2.gz PXWLTHQCMNCWOV-GFCCVEGCSA-N 0 0 236.380 4.456 20 30 BIEDRN C=CCCCS[C@@H](C)c1ccccc1OC ZINC000463193894 527249736 /nfs/dbraw/zinc/24/97/36/527249736.db2.gz PXWLTHQCMNCWOV-LBPRGKRZSA-N 0 0 236.380 4.456 20 30 BIEDRN C=CCCS[C@H](C)c1ccccc1OC ZINC000463205454 388088777 /nfs/dbraw/zinc/08/87/77/388088777.db2.gz PWSIPAKJKSTSAL-LLVKDONJSA-N 0 0 222.353 4.066 20 30 BIEDRN C=CCCS[C@@H](C)c1ccccc1OC ZINC000463205455 527420747 /nfs/dbraw/zinc/42/07/47/527420747.db2.gz PWSIPAKJKSTSAL-NSHDSACASA-N 0 0 222.353 4.066 20 30 BIEDRN C=C(C)CS[C@H](C)c1ccccc1OC ZINC000463213485 526692841 /nfs/dbraw/zinc/69/28/41/526692841.db2.gz PIKGZVGNISCDDU-LLVKDONJSA-N 0 0 222.353 4.066 20 30 BIEDRN C=C(C)CS[C@@H](C)c1ccccc1OC ZINC000463213486 526691784 /nfs/dbraw/zinc/69/17/84/526691784.db2.gz PIKGZVGNISCDDU-NSHDSACASA-N 0 0 222.353 4.066 20 30 BIEDRN CC(C)[C@H](C)S[C@@H](C#N)C1CCCCC1 ZINC000463236484 388089967 /nfs/dbraw/zinc/08/99/67/388089967.db2.gz RJQQKFCWARANNE-AAEUAGOBSA-N 0 0 225.401 4.237 20 30 BIEDRN CC(C)[C@@H](C)S[C@H](C#N)C1CCCCC1 ZINC000463236485 388089523 /nfs/dbraw/zinc/08/95/23/388089523.db2.gz RJQQKFCWARANNE-DGCLKSJQSA-N 0 0 225.401 4.237 20 30 BIEDRN CC(C)[C@H](C)S[C@H](C#N)C1CCCCC1 ZINC000463236486 388090088 /nfs/dbraw/zinc/09/00/88/388090088.db2.gz RJQQKFCWARANNE-WCQYABFASA-N 0 0 225.401 4.237 20 30 BIEDRN CC(C)[C@@H](C)S[C@@H](C#N)C1CCCCC1 ZINC000463236487 388089792 /nfs/dbraw/zinc/08/97/92/388089792.db2.gz RJQQKFCWARANNE-YPMHNXCESA-N 0 0 225.401 4.237 20 30 BIEDRN CC(C)[C@@H](C)S[C@@H](C)c1ccc(C#N)cc1 ZINC000463237230 398312340 /nfs/dbraw/zinc/31/23/40/398312340.db2.gz UOWQLDJIAOZMNI-NEPJUHHUSA-N 0 0 233.380 4.397 20 30 BIEDRN CC(C)[C@H](C)S[C@H](C)c1ccc(C#N)cc1 ZINC000463237234 398312297 /nfs/dbraw/zinc/31/22/97/398312297.db2.gz UOWQLDJIAOZMNI-NWDGAFQWSA-N 0 0 233.380 4.397 20 30 BIEDRN CC(C)[C@@H](C)S[C@H](C)c1ccc(C#N)cc1 ZINC000463237236 398312314 /nfs/dbraw/zinc/31/23/14/398312314.db2.gz UOWQLDJIAOZMNI-VXGBXAGGSA-N 0 0 233.380 4.397 20 30 BIEDRN C=C(C)C[C@H](C)C(=O)N(CCCCC)C(C)C ZINC000464543479 388101306 /nfs/dbraw/zinc/10/13/06/388101306.db2.gz AOVBXUIMHQDYAX-AWEZNQCLSA-N 0 0 239.403 4.016 20 30 BIEDRN C=C(C)C[C@@H](C)C(=O)N(CCCCC)C(C)C ZINC000464543480 526693269 /nfs/dbraw/zinc/69/32/69/526693269.db2.gz AOVBXUIMHQDYAX-CQSZACIVSA-N 0 0 239.403 4.016 20 30 BIEDRN C=C(C)C[C@H](C)C(=O)N(CCCC)[C@@H](C)CC ZINC000464543952 526706086 /nfs/dbraw/zinc/70/60/86/526706086.db2.gz MRMJBXNUBXAAFH-KBPBESRZSA-N 0 0 239.403 4.016 20 30 BIEDRN C=C(C)C[C@@H](C)C(=O)N(CCCC)[C@@H](C)CC ZINC000464543953 388101148 /nfs/dbraw/zinc/10/11/48/388101148.db2.gz MRMJBXNUBXAAFH-KGLIPLIRSA-N 0 0 239.403 4.016 20 30 BIEDRN C=C(C)C[C@H](C)C(=O)N(CCCC)[C@H](C)CC ZINC000464543954 526706286 /nfs/dbraw/zinc/70/62/86/526706286.db2.gz MRMJBXNUBXAAFH-UONOGXRCSA-N 0 0 239.403 4.016 20 30 BIEDRN C=C(C)C[C@@H](C)C(=O)N(CCCC)[C@H](C)CC ZINC000464543955 388100955 /nfs/dbraw/zinc/10/09/55/388100955.db2.gz MRMJBXNUBXAAFH-ZIAGYGMSSA-N 0 0 239.403 4.016 20 30 BIEDRN C=C(C)C[C@H](C)C(=O)N(CCCC)CCCC ZINC000464546260 526706528 /nfs/dbraw/zinc/70/65/28/526706528.db2.gz HOIXKYWUCAWQSC-AWEZNQCLSA-N 0 0 239.403 4.018 20 30 BIEDRN C=C(C)C[C@@H](C)C(=O)N(CCCC)CCCC ZINC000464546263 388101331 /nfs/dbraw/zinc/10/13/31/388101331.db2.gz HOIXKYWUCAWQSC-CQSZACIVSA-N 0 0 239.403 4.018 20 30 BIEDRN C=C(C)C[C@@H](C)C(=O)Nc1ccc(C(C)C)cc1 ZINC000464564587 388101293 /nfs/dbraw/zinc/10/12/93/388101293.db2.gz WKVSRUBXWSNNNY-CYBMUJFWSA-N 0 0 245.366 4.351 20 30 BIEDRN C=C(C)C[C@H](C)C(=O)Nc1ccc(C(C)C)cc1 ZINC000464564588 388101483 /nfs/dbraw/zinc/10/14/83/388101483.db2.gz WKVSRUBXWSNNNY-ZDUSSCGKSA-N 0 0 245.366 4.351 20 30 BIEDRN C=C(C)C[C@@H](C)C(=O)Nc1cccc(C(C)C)c1 ZINC000464572892 388101230 /nfs/dbraw/zinc/10/12/30/388101230.db2.gz SXZQPSHMVVHDMI-CYBMUJFWSA-N 0 0 245.366 4.351 20 30 BIEDRN C=C(C)C[C@H](C)C(=O)Nc1cccc(C(C)C)c1 ZINC000464572894 388101240 /nfs/dbraw/zinc/10/12/40/388101240.db2.gz SXZQPSHMVVHDMI-ZDUSSCGKSA-N 0 0 245.366 4.351 20 30 BIEDRN CC(C)CCC[C@H](C)N(CC#N)CCC(C)C ZINC000464723561 388102383 /nfs/dbraw/zinc/10/23/83/388102383.db2.gz BEOQOJUAXJGPSN-HNNXBMFYSA-N 0 0 238.419 4.073 20 30 BIEDRN CC(C)CCC[C@@H](C)N(CC#N)CCC(C)C ZINC000464723562 388102473 /nfs/dbraw/zinc/10/24/73/388102473.db2.gz BEOQOJUAXJGPSN-OAHLLOKOSA-N 0 0 238.419 4.073 20 30 BIEDRN CC[C@H](C)CS[C@@H](C#N)C1CCCCC1 ZINC000464803701 388104521 /nfs/dbraw/zinc/10/45/21/388104521.db2.gz ZWHCZSOADGDNIN-AAEUAGOBSA-N 0 0 225.401 4.238 20 30 BIEDRN CC[C@@H](C)CS[C@H](C#N)C1CCCCC1 ZINC000464803702 388105047 /nfs/dbraw/zinc/10/50/47/388105047.db2.gz ZWHCZSOADGDNIN-DGCLKSJQSA-N 0 0 225.401 4.238 20 30 BIEDRN CC[C@H](C)CS[C@H](C#N)C1CCCCC1 ZINC000464803703 529674724 /nfs/dbraw/zinc/67/47/24/529674724.db2.gz ZWHCZSOADGDNIN-WCQYABFASA-N 0 0 225.401 4.238 20 30 BIEDRN CC[C@@H](C)CS[C@@H](C#N)C1CCCCC1 ZINC000464803704 529332752 /nfs/dbraw/zinc/33/27/52/529332752.db2.gz ZWHCZSOADGDNIN-YPMHNXCESA-N 0 0 225.401 4.238 20 30 BIEDRN C=CCCCCCN(C)C(=O)CC(C)(C)CC ZINC000465142168 527121580 /nfs/dbraw/zinc/12/15/80/527121580.db2.gz WZEVBVNNGTZQGE-UHFFFAOYSA-N 0 0 239.403 4.018 20 30 BIEDRN C=C(C)C[C@@H](C)C(=O)Nc1ccc(C)c(CC)c1 ZINC000466247815 398018702 /nfs/dbraw/zinc/01/87/02/398018702.db2.gz MPILUWWPVSWBDV-CYBMUJFWSA-N 0 0 245.366 4.098 20 30 BIEDRN C=C(C)C[C@H](C)C(=O)Nc1ccc(C)c(CC)c1 ZINC000466247816 398018863 /nfs/dbraw/zinc/01/88/63/398018863.db2.gz MPILUWWPVSWBDV-ZDUSSCGKSA-N 0 0 245.366 4.098 20 30 BIEDRN C=C(C)C[C@@H](C)C(=O)Nc1ccc(CC)c(C)c1 ZINC000466252059 398018789 /nfs/dbraw/zinc/01/87/89/398018789.db2.gz CLTYDXWDHVYUDU-CYBMUJFWSA-N 0 0 245.366 4.098 20 30 BIEDRN C=C(C)C[C@H](C)C(=O)Nc1ccc(CC)c(C)c1 ZINC000466252063 398018692 /nfs/dbraw/zinc/01/86/92/398018692.db2.gz CLTYDXWDHVYUDU-ZDUSSCGKSA-N 0 0 245.366 4.098 20 30 BIEDRN CC/C=C\CCSc1ccccc1C#N ZINC000466480968 528792090 /nfs/dbraw/zinc/79/20/90/528792090.db2.gz INUBYLZNPYXWOE-ARJAWSKDSA-N 0 0 217.337 4.007 20 30 BIEDRN CC/C=C/CCSc1ccccc1C#N ZINC000466480969 388745845 /nfs/dbraw/zinc/74/58/45/388745845.db2.gz INUBYLZNPYXWOE-ONEGZZNKSA-N 0 0 217.337 4.007 20 30 BIEDRN CC/C=C\CCSc1ccc(C#N)cc1 ZINC000466487753 388743983 /nfs/dbraw/zinc/74/39/83/388743983.db2.gz DTERAFFFCGKSGS-ARJAWSKDSA-N 0 0 217.337 4.007 20 30 BIEDRN CC/C=C/CCSc1ccc(C#N)cc1 ZINC000466487754 388745586 /nfs/dbraw/zinc/74/55/86/388745586.db2.gz DTERAFFFCGKSGS-ONEGZZNKSA-N 0 0 217.337 4.007 20 30 BIEDRN CC/C=C\CCSc1cccc(C#N)c1 ZINC000466493391 388745709 /nfs/dbraw/zinc/74/57/09/388745709.db2.gz RQDAUYWWQGIMFO-ARJAWSKDSA-N 0 0 217.337 4.007 20 30 BIEDRN CC/C=C/CCSc1cccc(C#N)c1 ZINC000466493392 388745014 /nfs/dbraw/zinc/74/50/14/388745014.db2.gz RQDAUYWWQGIMFO-ONEGZZNKSA-N 0 0 217.337 4.007 20 30 BIEDRN C=C(C)C[C@H](C)C(=O)N[C@@H](CCC)CCCC ZINC000466537644 388119722 /nfs/dbraw/zinc/11/97/22/388119722.db2.gz ALOLDALWMPYVOP-KBPBESRZSA-N 0 0 239.403 4.064 20 30 BIEDRN C=C(C)C[C@@H](C)C(=O)N[C@@H](CCC)CCCC ZINC000466537645 526700339 /nfs/dbraw/zinc/70/03/39/526700339.db2.gz ALOLDALWMPYVOP-KGLIPLIRSA-N 0 0 239.403 4.064 20 30 BIEDRN C=C(C)C[C@H](C)C(=O)N[C@H](CCC)CCCC ZINC000466537646 526712933 /nfs/dbraw/zinc/71/29/33/526712933.db2.gz ALOLDALWMPYVOP-UONOGXRCSA-N 0 0 239.403 4.064 20 30 BIEDRN C=C(C)C[C@@H](C)C(=O)N[C@H](CCC)CCCC ZINC000466537647 388120106 /nfs/dbraw/zinc/12/01/06/388120106.db2.gz ALOLDALWMPYVOP-ZIAGYGMSSA-N 0 0 239.403 4.064 20 30 BIEDRN C=C(C)CSC[C@H]1CCC2(CCCCC2)O1 ZINC000466738249 526690624 /nfs/dbraw/zinc/69/06/24/526690624.db2.gz SLLNLQLCSOUVKZ-CYBMUJFWSA-N 0 0 240.412 4.178 20 30 BIEDRN C=C(C)CSC[C@@H]1CCC2(CCCCC2)O1 ZINC000466738250 526690370 /nfs/dbraw/zinc/69/03/70/526690370.db2.gz SLLNLQLCSOUVKZ-ZDUSSCGKSA-N 0 0 240.412 4.178 20 30 BIEDRN Cc1c(F)cccc1N[C@@H](C#N)C1CCCCC1 ZINC000467096252 533892481 /nfs/dbraw/zinc/89/24/81/533892481.db2.gz PAVRBNORXXLEEC-HNNXBMFYSA-N 0 0 246.329 4.019 20 30 BIEDRN Cc1c(F)cccc1N[C@H](C#N)C1CCCCC1 ZINC000467096253 533893160 /nfs/dbraw/zinc/89/31/60/533893160.db2.gz PAVRBNORXXLEEC-OAHLLOKOSA-N 0 0 246.329 4.019 20 30 BIEDRN C=CCN(C(=O)CC(C)(C)CC)c1ccccc1 ZINC000467105682 527532973 /nfs/dbraw/zinc/53/29/73/527532973.db2.gz GHJXPTFJPKXNKA-UHFFFAOYSA-N 0 0 245.366 4.032 20 30 BIEDRN C=C(C)C[C@H](C)C(=O)N([C@H](C)CC)[C@H](C)CC ZINC000467211862 526706443 /nfs/dbraw/zinc/70/64/43/526706443.db2.gz PMRKERMRLOOSTD-BFHYXJOUSA-N 0 0 239.403 4.014 20 30 BIEDRN C=C(C)C[C@H](C)C(=O)N([C@@H](C)CC)[C@@H](C)CC ZINC000467211863 526706381 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349615776 /nfs/dbraw/zinc/61/57/76/349615776.db2.gz KGBXNRFDYUVRBE-LLVKDONJSA-N 0 0 244.363 4.253 20 30 BIEDRN C[C@@H](CCC#N)CNc1cccc2ccsc21 ZINC000602592892 349615783 /nfs/dbraw/zinc/61/57/83/349615783.db2.gz KGBXNRFDYUVRBE-NSHDSACASA-N 0 0 244.363 4.253 20 30 BIEDRN CCc1cc(NC2CCC(C#N)CC2)ccc1C ZINC000602599106 349645708 /nfs/dbraw/zinc/64/57/08/349645708.db2.gz DAENGKLJTXVFRP-UHFFFAOYSA-N 0 0 242.366 4.052 20 30 BIEDRN CSc1cc(C)ccc1NC[C@H](C)CCC#N ZINC000602692545 349690211 /nfs/dbraw/zinc/69/02/11/349690211.db2.gz AQZUBLAFWJBDEO-GFCCVEGCSA-N 0 0 248.395 4.069 20 30 BIEDRN CSc1cc(C)ccc1NC[C@@H](C)CCC#N ZINC000602692546 349689719 /nfs/dbraw/zinc/68/97/19/349689719.db2.gz AQZUBLAFWJBDEO-LBPRGKRZSA-N 0 0 248.395 4.069 20 30 BIEDRN CSc1cc(NC[C@H](C)CCC#N)ccc1C ZINC000602704784 349699307 /nfs/dbraw/zinc/69/93/07/349699307.db2.gz IXTYEMHFKBXSJP-LLVKDONJSA-N 0 0 248.395 4.069 20 30 BIEDRN CSc1cc(NC[C@@H](C)CCC#N)ccc1C ZINC000602704785 349698866 /nfs/dbraw/zinc/69/88/66/349698866.db2.gz 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584929129 /nfs/dbraw/zinc/92/91/29/584929129.db2.gz CTEZAXKNBJMRGV-UHFFFAOYSA-N 0 0 236.359 4.240 20 30 BIEDRN CCCCCCCCCc1nc(C2CC2)no1 ZINC000731794851 584928982 /nfs/dbraw/zinc/92/89/82/584928982.db2.gz SDSPNMADSNDHPE-UHFFFAOYSA-N 0 0 236.359 4.240 20 30 BIEDRN CC(CCC1CCCCC1)N=Nc1ccccn1 ZINC000731924644 584931401 /nfs/dbraw/zinc/93/14/01/584931401.db2.gz LMQGRMDWFUBAGO-UHFFFAOYSA-N 0 0 245.370 4.230 20 30 BIEDRN CCCCNN=C(C)CCC1CCCCC1 ZINC000731925666 584931495 /nfs/dbraw/zinc/93/14/95/584931495.db2.gz PXZISAWUIWZIER-UHFFFAOYSA-N 0 0 224.392 4.113 20 30 BIEDRN CC(CCC1CCCCC1)=NNC1CCCC1 ZINC000731926837 584931700 /nfs/dbraw/zinc/93/17/00/584931700.db2.gz SMFGYNWPZSHCSB-UHFFFAOYSA-N 0 0 236.403 4.255 20 30 BIEDRN CCCCCCCCC(=O)N(C)C[C@@H](C)CC ZINC000731996281 584932806 /nfs/dbraw/zinc/93/28/06/584932806.db2.gz CPYBPMAKHXMLBQ-AWEZNQCLSA-N 0 0 241.419 4.242 20 30 BIEDRN CCCCCCCCC(=O)N(C)C[C@H](C)CC ZINC000731996282 584932723 /nfs/dbraw/zinc/93/27/23/584932723.db2.gz 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C=C(CC)CNc1ccccc1NC(C)(C)C ZINC000766131455 585498101 /nfs/dbraw/zinc/49/81/01/585498101.db2.gz DXKVVJSBWHYYOG-UHFFFAOYSA-N 0 0 232.371 4.275 20 30 BIEDRN C=CCCCNc1ccccc1NC(C)(C)C ZINC000766133154 585498028 /nfs/dbraw/zinc/49/80/28/585498028.db2.gz NROBVZIKPFQEBR-UHFFFAOYSA-N 0 0 232.371 4.275 20 30 BIEDRN C#CCCCS[C@H](C)c1ccccc1F ZINC000766287753 585500415 /nfs/dbraw/zinc/50/04/15/585500415.db2.gz BBTIYRIVASPONG-LLVKDONJSA-N 0 0 222.328 4.033 20 30 BIEDRN C#CCCCS[C@@H](C)c1ccccc1F ZINC000766287754 585500427 /nfs/dbraw/zinc/50/04/27/585500427.db2.gz BBTIYRIVASPONG-NSHDSACASA-N 0 0 222.328 4.033 20 30 BIEDRN C#CCCCS[C@@H](C)c1c(F)cccc1F ZINC000766287913 585500517 /nfs/dbraw/zinc/50/05/17/585500517.db2.gz BQTBAGOFCPOIOE-JTQLQIEISA-N 0 0 240.318 4.172 20 30 BIEDRN Cc1ccc(/C=C\C(=O)c2ccco2)cc1Cl ZINC000766488987 585503169 /nfs/dbraw/zinc/50/31/69/585503169.db2.gz AOUGXNPAMHJBTN-SREVYHEPSA-N 0 0 246.693 4.138 20 30 BIEDRN Cc1ccc(/C=C/C(=O)c2ccco2)cc1Cl ZINC000766489002 585503130 /nfs/dbraw/zinc/50/31/30/585503130.db2.gz AOUGXNPAMHJBTN-VOTSOKGWSA-N 0 0 246.693 4.138 20 30 BIEDRN C#CCCCSc1cc(C)nc2ccccc21 ZINC000766737089 585507177 /nfs/dbraw/zinc/50/71/77/585507177.db2.gz IMUNLUDGPFLPSR-UHFFFAOYSA-N 0 0 241.359 4.049 20 30 BIEDRN C#CCCCSCc1ccc(SC)cc1 ZINC000766737759 585507382 /nfs/dbraw/zinc/50/73/82/585507382.db2.gz BFZATIFRTCKWJZ-UHFFFAOYSA-N 0 0 236.405 4.055 20 30 BIEDRN C#CCCCS[C@@H](C)c1ccc(F)cc1F ZINC000766737853 585507410 /nfs/dbraw/zinc/50/74/10/585507410.db2.gz FUBANBKETJZXFE-JTQLQIEISA-N 0 0 240.318 4.172 20 30 BIEDRN C#CCCCS[C@H](C)c1ccc(F)cc1F ZINC000766737854 585507488 /nfs/dbraw/zinc/50/74/88/585507488.db2.gz FUBANBKETJZXFE-SNVBAGLBSA-N 0 0 240.318 4.172 20 30 BIEDRN C#CCCCSCc1cc2ccccc2o1 ZINC000766738033 585507361 /nfs/dbraw/zinc/50/73/61/585507361.db2.gz OVDRQWKQFONNBC-UHFFFAOYSA-N 0 0 230.332 4.079 20 30 BIEDRN C#CCCCS[C@H](C)c1cccc(F)c1 ZINC000766738590 585507345 /nfs/dbraw/zinc/50/73/45/585507345.db2.gz LMMMGUXPFQEXRH-LLVKDONJSA-N 0 0 222.328 4.033 20 30 BIEDRN C#CCCCS[C@@H](C)c1cccc(F)c1 ZINC000766738591 585507388 /nfs/dbraw/zinc/50/73/88/585507388.db2.gz LMMMGUXPFQEXRH-NSHDSACASA-N 0 0 222.328 4.033 20 30 BIEDRN C#CCCCSCc1cc(C)sc1C ZINC000766738612 585507537 /nfs/dbraw/zinc/50/75/37/585507537.db2.gz RZHZAAANTYWDAT-UHFFFAOYSA-N 0 0 224.394 4.012 20 30 BIEDRN C#CCCCS[C@@H](C)c1ccc(F)c(F)c1 ZINC000766738677 585507429 /nfs/dbraw/zinc/50/74/29/585507429.db2.gz NMWIJTTXWDJNDC-JTQLQIEISA-N 0 0 240.318 4.172 20 30 BIEDRN C#CCCCS[C@H](C)c1ccc(F)c(F)c1 ZINC000766738678 585507452 /nfs/dbraw/zinc/50/74/52/585507452.db2.gz NMWIJTTXWDJNDC-SNVBAGLBSA-N 0 0 240.318 4.172 20 30 BIEDRN C#CCCCS[C@@H](C)c1cc(F)ccc1F ZINC000766738806 585507462 /nfs/dbraw/zinc/50/74/62/585507462.db2.gz PKJZIBWHGRHGLQ-JTQLQIEISA-N 0 0 240.318 4.172 20 30 BIEDRN C#CCCCS[C@H](C)c1cc(F)ccc1F ZINC000766738807 585507404 /nfs/dbraw/zinc/50/74/04/585507404.db2.gz PKJZIBWHGRHGLQ-SNVBAGLBSA-N 0 0 240.318 4.172 20 30 BIEDRN C=C(C)C[C@@H](C)C(=O)Oc1ccccc1C(C)C ZINC000767044559 585513142 /nfs/dbraw/zinc/51/31/42/585513142.db2.gz AQXRSEFDLZNWHW-CYBMUJFWSA-N 0 0 246.350 4.318 20 30 BIEDRN C=C(C)C[C@H](C)C(=O)Oc1ccccc1C(C)C ZINC000767044562 585512750 /nfs/dbraw/zinc/51/27/50/585512750.db2.gz AQXRSEFDLZNWHW-ZDUSSCGKSA-N 0 0 246.350 4.318 20 30 BIEDRN C=C(C)C[C@H](C)C(=O)N[C@@H](C)CCCCCC ZINC000767046522 585513121 /nfs/dbraw/zinc/51/31/21/585513121.db2.gz RDTLJPPTPHCWLY-KBPBESRZSA-N 0 0 239.403 4.064 20 30 BIEDRN C=C(C)C[C@@H](C)C(=O)N[C@@H](C)CCCCCC ZINC000767046525 585513032 /nfs/dbraw/zinc/51/30/32/585513032.db2.gz RDTLJPPTPHCWLY-KGLIPLIRSA-N 0 0 239.403 4.064 20 30 BIEDRN C=C(C)C[C@H](C)C(=O)N[C@H](C)CCCCCC ZINC000767046528 585512985 /nfs/dbraw/zinc/51/29/85/585512985.db2.gz RDTLJPPTPHCWLY-UONOGXRCSA-N 0 0 239.403 4.064 20 30 BIEDRN C=C(C)C[C@@H](C)C(=O)N[C@H](C)CCCCCC ZINC000767046532 585513130 /nfs/dbraw/zinc/51/31/30/585513130.db2.gz RDTLJPPTPHCWLY-ZIAGYGMSSA-N 0 0 239.403 4.064 20 30 BIEDRN CCSCCSCCCCC(C)(C)C#N ZINC000767057640 585513362 /nfs/dbraw/zinc/51/33/62/585513362.db2.gz BCZNYYDEWBKTQG-UHFFFAOYSA-N 0 0 245.457 4.193 20 30 BIEDRN C=C(C)C[C@H](C)C(=O)NCCCCCCCC ZINC000767096851 585513968 /nfs/dbraw/zinc/51/39/68/585513968.db2.gz DNZPJASISDABLI-AWEZNQCLSA-N 0 0 239.403 4.065 20 30 BIEDRN C=C(C)C[C@@H](C)C(=O)NCCCCCCCC ZINC000767096852 585513967 /nfs/dbraw/zinc/51/39/67/585513967.db2.gz DNZPJASISDABLI-CQSZACIVSA-N 0 0 239.403 4.065 20 30 BIEDRN N#Cc1cccc(N=NC2CCCCCCC2)c1 ZINC000767336537 644673779 /nfs/dbraw/zinc/67/37/79/644673779.db2.gz QXQCESCFUUPXMK-UHFFFAOYSA-N 0 0 241.338 4.070 20 30 BIEDRN Cc1cc(Cl)ccc1C=NNc1ccccc1 ZINC000767352567 585517364 /nfs/dbraw/zinc/51/73/64/585517364.db2.gz WTIUSIHXYUSKPE-UHFFFAOYSA-N 0 0 244.725 4.094 20 30 BIEDRN Cc1cc(Cl)ccc1/C=C\C(=O)c1ccco1 ZINC000767357016 585517395 /nfs/dbraw/zinc/51/73/95/585517395.db2.gz FDVPHNIMRNTMQH-ALCCZGGFSA-N 0 0 246.693 4.138 20 30 BIEDRN Cc1cc(Cl)ccc1/C=C/C(=O)c1ccco1 ZINC000767357018 585517422 /nfs/dbraw/zinc/51/74/22/585517422.db2.gz FDVPHNIMRNTMQH-FNORWQNLSA-N 0 0 246.693 4.138 20 30 BIEDRN CCON=C1CCC(C(C)(C)CC)CC1 ZINC000767459292 585520647 /nfs/dbraw/zinc/52/06/47/585520647.db2.gz UQWSOTDZRNZQID-UHFFFAOYSA-N 0 0 211.349 4.005 20 30 BIEDRN CCON=C(C)c1oc2ccc(C)cc2c1CC ZINC000767465248 585520877 /nfs/dbraw/zinc/52/08/77/585520877.db2.gz XKCLRBPSGDVUQC-UHFFFAOYSA-N 0 0 245.322 4.064 20 30 BIEDRN CCCCCC1=C(C)CCC1=NOCC ZINC000767468923 585520829 /nfs/dbraw/zinc/52/08/29/585520829.db2.gz HQCKSEBBHCZBHM-UHFFFAOYSA-N 0 0 209.333 4.070 20 30 BIEDRN CON=C(C)/C=C/C1=C(C)CCCC1(C)C ZINC000767491150 585521033 /nfs/dbraw/zinc/52/10/33/585521033.db2.gz QUAQKXSVYQZAJX-DDXPXLKJSA-N 0 0 221.344 4.092 20 30 BIEDRN CON=C(C)/C=C\C1=C(C)CCCC1(C)C ZINC000767491152 585521016 /nfs/dbraw/zinc/52/10/16/585521016.db2.gz QUAQKXSVYQZAJX-ZYHZCNJHSA-N 0 0 221.344 4.092 20 30 BIEDRN C=CCCC(=O)O[C@@H]1C[C@H](C)c2c1cccc2C ZINC000767591205 585522845 /nfs/dbraw/zinc/52/28/45/585522845.db2.gz GVQSDVVOKVHAQU-GXTWGEPZSA-N 0 0 244.334 4.053 20 30 BIEDRN C=CCCC(=O)O[C@H]1C[C@H](C)c2c1cccc2C ZINC000767591224 585523001 /nfs/dbraw/zinc/52/30/01/585523001.db2.gz GVQSDVVOKVHAQU-JSGCOSHPSA-N 0 0 244.334 4.053 20 30 BIEDRN C=CCCC(=O)O[C@H]1C[C@@H](C)c2c1cccc2C ZINC000767591229 585522876 /nfs/dbraw/zinc/52/28/76/585522876.db2.gz GVQSDVVOKVHAQU-OCCSQVGLSA-N 0 0 244.334 4.053 20 30 BIEDRN C=CCCC(=O)O[C@@H]1C[C@@H](C)c2c1cccc2C ZINC000767591234 585522948 /nfs/dbraw/zinc/52/29/48/585522948.db2.gz GVQSDVVOKVHAQU-TZMCWYRMSA-N 0 0 244.334 4.053 20 30 BIEDRN CC(=NNc1cccc(Cl)c1)c1occc1C ZINC000767741951 585525408 /nfs/dbraw/zinc/52/54/08/585525408.db2.gz CPNAHUBMHKREDZ-UHFFFAOYSA-N 0 0 248.713 4.078 20 30 BIEDRN CC(=NNc1ccccc1Cl)c1occc1C ZINC000767742631 585525385 /nfs/dbraw/zinc/52/53/85/585525385.db2.gz GXTVGCYPOPBTHR-UHFFFAOYSA-N 0 0 248.713 4.078 20 30 BIEDRN CC(=NNc1ccc(Cl)cc1)c1occc1C ZINC000767744884 585525570 /nfs/dbraw/zinc/52/55/70/585525570.db2.gz WRGZWOFKVYLGBS-UHFFFAOYSA-N 0 0 248.713 4.078 20 30 BIEDRN CC(=NNc1cc(C)ccc1C)c1occc1C ZINC000767759394 585525658 /nfs/dbraw/zinc/52/56/58/585525658.db2.gz MZZKRBVCTKJVMR-UHFFFAOYSA-N 0 0 242.322 4.041 20 30 BIEDRN CC(=NNc1cc(C)cc(C)c1)c1occc1C ZINC000767760287 585525625 /nfs/dbraw/zinc/52/56/25/585525625.db2.gz VOARDOVOVYMGSQ-UHFFFAOYSA-N 0 0 242.322 4.041 20 30 BIEDRN CCC(C)N=Nc1c(Cl)cc(F)cc1Cl ZINC000767909929 585527985 /nfs/dbraw/zinc/52/79/85/585527985.db2.gz AYTHXNWOJUBSNH-UHFFFAOYSA-N 0 0 249.116 4.330 20 30 BIEDRN CCCCN=Nc1c(Cl)cc(F)cc1Cl ZINC000767910405 585528245 /nfs/dbraw/zinc/52/82/45/585528245.db2.gz SZMLZODXDRUMRI-UHFFFAOYSA-N 0 0 249.116 4.330 20 30 BIEDRN CC(C)CN=Nc1c(Cl)cc(F)cc1Cl ZINC000767910453 585528242 /nfs/dbraw/zinc/52/82/42/585528242.db2.gz UMBKOWFCUTVNLF-UHFFFAOYSA-N 0 0 249.116 4.186 20 30 BIEDRN C[C@H]1CCC[C@@H](C=NOCc2ccccc2)C1 ZINC000768353854 585536702 /nfs/dbraw/zinc/53/67/02/585536702.db2.gz AMODHLLYQVGOFE-DZGCQCFKSA-N 0 0 231.339 4.015 20 30 BIEDRN C[C@@H]1CCC[C@H](C=NOCc2ccccc2)C1 ZINC000768353855 585536718 /nfs/dbraw/zinc/53/67/18/585536718.db2.gz AMODHLLYQVGOFE-HIFRSBDPSA-N 0 0 231.339 4.015 20 30 BIEDRN C[C@@H]1CCC[C@@H](C=NOCc2ccccc2)C1 ZINC000768353858 585536692 /nfs/dbraw/zinc/53/66/92/585536692.db2.gz AMODHLLYQVGOFE-UKRRQHHQSA-N 0 0 231.339 4.015 20 30 BIEDRN C[C@H]1CCC[C@H](C=NOCc2ccccc2)C1 ZINC000768353860 585536792 /nfs/dbraw/zinc/53/67/92/585536792.db2.gz AMODHLLYQVGOFE-ZFWWWQNUSA-N 0 0 231.339 4.015 20 30 BIEDRN C[C@@H]1CCC[C@H](CN=Nc2ccccc2F)C1 ZINC000768354721 585536688 /nfs/dbraw/zinc/53/66/88/585536688.db2.gz JUJHNXKLENZODS-NEPJUHHUSA-N 0 0 234.318 4.050 20 30 BIEDRN C[C@H]1CCC[C@@H](CN=Nc2ccccc2F)C1 ZINC000768354727 585536820 /nfs/dbraw/zinc/53/68/20/585536820.db2.gz JUJHNXKLENZODS-NWDGAFQWSA-N 0 0 234.318 4.050 20 30 BIEDRN C[C@H]1CCC[C@H](CN=Nc2ccccc2F)C1 ZINC000768354729 585536725 /nfs/dbraw/zinc/53/67/25/585536725.db2.gz JUJHNXKLENZODS-RYUDHWBXSA-N 0 0 234.318 4.050 20 30 BIEDRN C[C@@H]1CCC[C@@H](CN=Nc2ccccc2F)C1 ZINC000768354731 585536812 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/nfs/dbraw/zinc/01/08/10/585010810.db2.gz NHDLOYFYNIIVFU-KGLIPLIRSA-N 0 0 249.402 4.005 20 30 BIEDRN CCCCCC[C@@H]1CCCC1=NN[C@@H](C)CC#N ZINC000771888936 585010802 /nfs/dbraw/zinc/01/08/02/585010802.db2.gz NHDLOYFYNIIVFU-UONOGXRCSA-N 0 0 249.402 4.005 20 30 BIEDRN CCCCCC[C@@H]1CCCC1=NN[C@H](C)CC#N ZINC000771888937 585010799 /nfs/dbraw/zinc/01/07/99/585010799.db2.gz NHDLOYFYNIIVFU-ZIAGYGMSSA-N 0 0 249.402 4.005 20 30 BIEDRN CCCCCCC[N@H+](Cc1cccnc1)C1CC1 ZINC000772235902 585610844 /nfs/dbraw/zinc/61/08/44/585610844.db2.gz FQJWWPDSQIVBQF-UHFFFAOYSA-N 0 0 246.398 4.016 20 30 BIEDRN Clc1ccc(N=NC2CC3(CCC3)C2)cc1 ZINC000772828362 585624932 /nfs/dbraw/zinc/62/49/32/585624932.db2.gz QTHOYWRAGIRBQG-UHFFFAOYSA-N 0 0 234.730 4.072 20 30 BIEDRN Clc1ccccc1N=NC1CC2(CCC2)C1 ZINC000772830856 585624906 /nfs/dbraw/zinc/62/49/06/585624906.db2.gz OSGZGZIZKBCXKD-UHFFFAOYSA-N 0 0 234.730 4.072 20 30 BIEDRN Clc1cccc(N=NC2CC3(CCC3)C2)c1 ZINC000772831699 585625055 /nfs/dbraw/zinc/62/50/55/585625055.db2.gz 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4.344 20 30 BIEDRN CC1=CCC[C@H](C)[C@@H]1CN=Nc1ccccc1 ZINC000773180803 585633342 /nfs/dbraw/zinc/63/33/42/585633342.db2.gz RFHSKIDWVINFSF-DZGCQCFKSA-N 0 0 228.339 4.077 20 30 BIEDRN CC1=CCC[C@@H](C)[C@H]1CN=Nc1ccccc1 ZINC000773180804 585633192 /nfs/dbraw/zinc/63/31/92/585633192.db2.gz RFHSKIDWVINFSF-HIFRSBDPSA-N 0 0 228.339 4.077 20 30 BIEDRN CC1=CCC[C@@H](C)[C@@H]1CN=Nc1ccccc1 ZINC000773180805 585633162 /nfs/dbraw/zinc/63/31/62/585633162.db2.gz RFHSKIDWVINFSF-UKRRQHHQSA-N 0 0 228.339 4.077 20 30 BIEDRN CC1=CCC[C@H](C)[C@H]1CN=Nc1ccccc1 ZINC000773180807 585633278 /nfs/dbraw/zinc/63/32/78/585633278.db2.gz RFHSKIDWVINFSF-ZFWWWQNUSA-N 0 0 228.339 4.077 20 30 BIEDRN C=C(CC)CON=C(C)c1cc2ccccc2o1 ZINC000773182172 585633343 /nfs/dbraw/zinc/63/33/43/585633343.db2.gz KIPIAQMDRQMZII-UHFFFAOYSA-N 0 0 243.306 4.140 20 30 BIEDRN CCCCCCCSCc1nnc(C)s1 ZINC000773290017 585634725 /nfs/dbraw/zinc/63/47/25/585634725.db2.gz KUPXAVCOBLILDQ-UHFFFAOYSA-N 0 0 244.429 4.050 20 30 BIEDRN CCCc1cccc(/C=C\C(=O)c2ccco2)c1 ZINC000774134706 585651324 /nfs/dbraw/zinc/65/13/24/585651324.db2.gz FNOSTHKARXLGHE-KTKRTIGZSA-N 0 0 240.302 4.128 20 30 BIEDRN CCCc1cccc(/C=C/C(=O)c2ccco2)c1 ZINC000774134707 585651315 /nfs/dbraw/zinc/65/13/15/585651315.db2.gz FNOSTHKARXLGHE-MDZDMXLPSA-N 0 0 240.302 4.128 20 30 BIEDRN CC(CCCC(F)(F)F)N=Nc1ccccc1 ZINC000774309792 585656216 /nfs/dbraw/zinc/65/62/16/585656216.db2.gz HUOLZCQLYBWPKF-UHFFFAOYSA-N 0 0 244.260 4.207 20 30 BIEDRN CC(CCCC(F)(F)F)=NOC1CCCC1 ZINC000774398803 585657617 /nfs/dbraw/zinc/65/76/17/585657617.db2.gz JADAYLIOPFKLBL-UHFFFAOYSA-N 0 0 237.265 4.054 20 30 BIEDRN C=CCC[C@H](CCC)Nc1ccc(COC)cc1 ZINC000774486455 585660319 /nfs/dbraw/zinc/66/03/19/585660319.db2.gz SCDOOPRETRXHFT-HNNXBMFYSA-N 0 0 247.382 4.380 20 30 BIEDRN C=CCC[C@@H](CCC)Nc1ccc(COC)cc1 ZINC000774486457 585660083 /nfs/dbraw/zinc/66/00/83/585660083.db2.gz SCDOOPRETRXHFT-OAHLLOKOSA-N 0 0 247.382 4.380 20 30 BIEDRN CC(=NOC1CCCC1)c1cc2ccccc2o1 ZINC000774596643 585661654 /nfs/dbraw/zinc/66/16/54/585661654.db2.gz JDYICMIXECLLEH-UHFFFAOYSA-N 0 0 243.306 4.116 20 30 BIEDRN Cc1ccc(C2CC(=NOC3CCCC3)C2)cc1 ZINC000774596800 585661616 /nfs/dbraw/zinc/66/16/16/585661616.db2.gz LFZLVRDYIRZXRE-UHFFFAOYSA-N 0 0 243.350 4.188 20 30 BIEDRN CC(=NOC1CCCC1)c1cc(C)sc1C ZINC000774597255 585032336 /nfs/dbraw/zinc/03/23/36/585032336.db2.gz SFBFBTAUAZETDQ-UHFFFAOYSA-N 0 0 237.368 4.048 20 30 BIEDRN C=C(C)[C@@H]1CC=C(C)C(=NOC2CCCC2)C1 ZINC000774597733 585661677 /nfs/dbraw/zinc/66/16/77/585661677.db2.gz XHBJSAHAXULTEP-CYBMUJFWSA-N 0 0 233.355 4.234 20 30 BIEDRN C=C(C)[C@H]1CC=C(C)C(=NOC2CCCC2)C1 ZINC000774597734 585661667 /nfs/dbraw/zinc/66/16/67/585661667.db2.gz XHBJSAHAXULTEP-ZDUSSCGKSA-N 0 0 233.355 4.234 20 30 BIEDRN CCC(Cc1cccs1)=NOC1CCCC1 ZINC000774603105 585661822 /nfs/dbraw/zinc/66/18/22/585661822.db2.gz LWNGRGKQRCVJML-UHFFFAOYSA-N 0 0 237.368 4.016 20 30 BIEDRN CC1(c2ccccc2)CC(=NOC2CCCC2)C1 ZINC000774603131 585661818 /nfs/dbraw/zinc/66/18/18/585661818.db2.gz 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0 0 243.350 4.125 20 30 BIEDRN CSc1ccc(C(C)=NOC2CCCC2)cc1 ZINC000774604438 585661784 /nfs/dbraw/zinc/66/17/84/585661784.db2.gz XPYCFVVPFXYLAE-UHFFFAOYSA-N 0 0 249.379 4.092 20 30 BIEDRN CC(C)=CCCC(C)=NOC1CCCC1 ZINC000774605887 585661923 /nfs/dbraw/zinc/66/19/23/585661923.db2.gz CFYZMWWEQYGOGW-UHFFFAOYSA-N 0 0 209.333 4.068 20 30 BIEDRN CC(=NOC1CCCC1)c1ccc(Cl)s1 ZINC000774606858 585661984 /nfs/dbraw/zinc/66/19/84/585661984.db2.gz BSUWIRKBXSAIQF-UHFFFAOYSA-N 0 0 243.759 4.085 20 30 BIEDRN Cc1ccccc1C1CC(=NOC2CCCC2)C1 ZINC000774606886 585661967 /nfs/dbraw/zinc/66/19/67/585661967.db2.gz CBNIJJWPIQLAFM-UHFFFAOYSA-N 0 0 243.350 4.188 20 30 BIEDRN CC(=NOC1CCCC1)[C@@H](C)c1ccccc1 ZINC000774607061 585662020 /nfs/dbraw/zinc/66/20/20/585662020.db2.gz CJOWOSCGOHDKBS-GFCCVEGCSA-N 0 0 231.339 4.125 20 30 BIEDRN CC(=NOC1CCCC1)[C@H](C)c1ccccc1 ZINC000774607064 585662093 /nfs/dbraw/zinc/66/20/93/585662093.db2.gz CJOWOSCGOHDKBS-LBPRGKRZSA-N 0 0 231.339 4.125 20 30 BIEDRN C[C@H](C=NOC1CCCC1)CCc1ccccc1 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/nfs/dbraw/zinc/66/19/57/585661957.db2.gz KIGZOMWCJTVHSY-CQSZACIVSA-N 0 0 243.350 4.052 20 30 BIEDRN CC(=NOC1CCCC1)c1coc2ccccc12 ZINC000774609117 585662052 /nfs/dbraw/zinc/66/20/52/585662052.db2.gz SEBVSQACCFURRH-UHFFFAOYSA-N 0 0 243.306 4.116 20 30 BIEDRN Fc1ccccc1C1CC(=NOC2CCCC2)C1 ZINC000774609128 585662051 /nfs/dbraw/zinc/66/20/51/585662051.db2.gz SJOWIHPUIXDAEI-UHFFFAOYSA-N 0 0 247.313 4.018 20 30 BIEDRN CC(CCc1cccc(F)c1)=NOC1CCCC1 ZINC000774609143 585662123 /nfs/dbraw/zinc/66/21/23/585662123.db2.gz SWEXMFRHBRYWIH-UHFFFAOYSA-N 0 0 249.329 4.093 20 30 BIEDRN Fc1ccc(C2CC(=NOC3CCCC3)C2)cc1 ZINC000774609199 585662014 /nfs/dbraw/zinc/66/20/14/585662014.db2.gz UJONSVUJORIZSO-UHFFFAOYSA-N 0 0 247.313 4.018 20 30 BIEDRN CC(CCc1ccccc1F)=NOC1CCCC1 ZINC000774609570 585662080 /nfs/dbraw/zinc/66/20/80/585662080.db2.gz XQPLKBRALBLLOL-UHFFFAOYSA-N 0 0 249.329 4.093 20 30 BIEDRN Clc1cccc(CON=C2CCC2)c1Cl ZINC000774820664 585666969 /nfs/dbraw/zinc/66/69/69/585666969.db2.gz 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KNNDZPJFRAVJLA-VXGBXAGGSA-N 0 0 230.355 4.038 20 30 BIEDRN CC(C)(C)c1ccc(NN=Cc2ccoc2)cc1 ZINC000779825408 585767686 /nfs/dbraw/zinc/76/76/86/585767686.db2.gz RRIAEIMWMJZPFU-UHFFFAOYSA-N 0 0 242.322 4.023 20 30 BIEDRN CC(C)(C)c1ccc(NN=Cc2ccco2)cc1 ZINC000779825575 585767679 /nfs/dbraw/zinc/76/76/79/585767679.db2.gz YUQZHJLITFTPIE-UHFFFAOYSA-N 0 0 242.322 4.023 20 30 BIEDRN CC[C@H](C#N)Sc1cccc(C(F)(F)F)c1 ZINC000780328772 585778080 /nfs/dbraw/zinc/77/80/80/585778080.db2.gz FOWTXXVVBGEPJU-SECBINFHSA-N 0 0 245.269 4.100 20 30 BIEDRN CC[C@@H](C#N)Sc1cccc(C(F)(F)F)c1 ZINC000780328809 585778061 /nfs/dbraw/zinc/77/80/61/585778061.db2.gz FOWTXXVVBGEPJU-VIFPVBQESA-N 0 0 245.269 4.100 20 30 BIEDRN C=CC[C@H](C)NC(=O)[C@](C)(CC)CCCCC ZINC000780736792 585783900 /nfs/dbraw/zinc/78/39/00/585783900.db2.gz PULJJLILEGBVQI-DZGCQCFKSA-N 0 0 239.403 4.064 20 30 BIEDRN C=CC[C@@H](C)NC(=O)[C@@](C)(CC)CCCCC ZINC000780736793 585783864 /nfs/dbraw/zinc/78/38/64/585783864.db2.gz PULJJLILEGBVQI-HIFRSBDPSA-N 0 0 239.403 4.064 20 30 BIEDRN C=CC[C@@H](C)NC(=O)[C@](C)(CC)CCCCC ZINC000780736794 585783956 /nfs/dbraw/zinc/78/39/56/585783956.db2.gz PULJJLILEGBVQI-UKRRQHHQSA-N 0 0 239.403 4.064 20 30 BIEDRN C=CC[C@H](C)NC(=O)[C@@](C)(CC)CCCCC ZINC000780736795 585784002 /nfs/dbraw/zinc/78/40/02/585784002.db2.gz PULJJLILEGBVQI-ZFWWWQNUSA-N 0 0 239.403 4.064 20 30 BIEDRN C=C(C)CN(C)C(=O)[C@@](C)(CC)CCCCC ZINC000780998912 585788522 /nfs/dbraw/zinc/78/85/22/585788522.db2.gz OKNASJVSJVXTNF-HNNXBMFYSA-N 0 0 239.403 4.018 20 30 BIEDRN C=C(C)CN(C)C(=O)[C@](C)(CC)CCCCC ZINC000780998923 585788506 /nfs/dbraw/zinc/78/85/06/585788506.db2.gz OKNASJVSJVXTNF-OAHLLOKOSA-N 0 0 239.403 4.018 20 30 BIEDRN C#CCCCSCc1ccccc1SC ZINC000781157598 585791890 /nfs/dbraw/zinc/79/18/90/585791890.db2.gz INPRWZQJMRFILD-UHFFFAOYSA-N 0 0 236.405 4.055 20 30 BIEDRN CCCCCCCCCSc1cccnn1 ZINC000781386619 585795567 /nfs/dbraw/zinc/79/55/67/585795567.db2.gz UEXRODIXGAGFST-UHFFFAOYSA-N 0 0 238.400 4.319 20 30 BIEDRN Fc1cccc(C2CC(=NOC3CCCC3)C2)c1 ZINC000781594824 585799823 /nfs/dbraw/zinc/79/98/23/585799823.db2.gz IEUKIBLNQFQUGT-UHFFFAOYSA-N 0 0 247.313 4.018 20 30 BIEDRN CC1(CN=Nc2ccc(Cl)cc2Cl)CC1 ZINC000782159557 712417588 /nfs/dbraw/zinc/41/75/88/712417588.db2.gz RYWMANKSUNXXMJ-UHFFFAOYSA-N 0 0 243.137 4.191 20 30 BIEDRN CC1(CN=Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000782198941 585811953 /nfs/dbraw/zinc/81/19/53/585811953.db2.gz NQIQLLORENBYAT-UHFFFAOYSA-N 0 0 243.137 4.191 20 30 BIEDRN CC1(CN=Nc2cc(Cl)ccc2Cl)CC1 ZINC000782239925 585812827 /nfs/dbraw/zinc/81/28/27/585812827.db2.gz RZGSXXVPZXSNQW-UHFFFAOYSA-N 0 0 243.137 4.191 20 30 BIEDRN CC1(CN=Nc2c(Cl)cccc2Cl)CC1 ZINC000782249534 585813055 /nfs/dbraw/zinc/81/30/55/585813055.db2.gz NNDZNFZOQGWGSJ-UHFFFAOYSA-N 0 0 243.137 4.191 20 30 BIEDRN O=C(/C=C\c1cc(Cl)cs1)c1ccccc1 ZINC000782300361 585814406 /nfs/dbraw/zinc/81/44/06/585814406.db2.gz FNHYYPDNWZNUNW-SREVYHEPSA-N 0 0 248.734 4.298 20 30 BIEDRN O=C(/C=C/c1cc(Cl)cs1)c1ccccc1 ZINC000782300417 585814386 /nfs/dbraw/zinc/81/43/86/585814386.db2.gz FNHYYPDNWZNUNW-VOTSOKGWSA-N 0 0 248.734 4.298 20 30 BIEDRN CC(C)=CCCC(C)=NNCCC(C)(C)C ZINC000782902715 585825694 /nfs/dbraw/zinc/82/56/94/585825694.db2.gz IAFZKFUIBFXLLG-UHFFFAOYSA-N 0 0 224.392 4.135 20 30 BIEDRN C=C(Cl)CSc1cccc(Cl)c1C#N ZINC000782917441 585826341 /nfs/dbraw/zinc/82/63/41/585826341.db2.gz GDEPXASIRWXBIY-UHFFFAOYSA-N 0 0 244.146 4.056 20 30 BIEDRN N#Cc1c(Cl)cccc1SC/C=C\Cl ZINC000782918740 585826303 /nfs/dbraw/zinc/82/63/03/585826303.db2.gz NDHLFODJWXIOBZ-DJWKRKHSSA-N 0 0 244.146 4.056 20 30 BIEDRN N#Cc1c(Cl)cccc1SC/C=C/Cl ZINC000782918743 585826451 /nfs/dbraw/zinc/82/64/51/585826451.db2.gz NDHLFODJWXIOBZ-GORDUTHDSA-N 0 0 244.146 4.056 20 30 BIEDRN C=CCCCCCOc1ccc(C(C)(C)O)cc1 ZINC000783043142 585827325 /nfs/dbraw/zinc/82/73/25/585827325.db2.gz URMQOGITKJGTHB-UHFFFAOYSA-N 0 0 248.366 4.039 20 30 BIEDRN C=CCCCCCSc1nccn1C1CC1 ZINC000783115062 585828024 /nfs/dbraw/zinc/82/80/24/585828024.db2.gz ZSIREAHVUDWGIT-UHFFFAOYSA-N 0 0 236.384 4.057 20 30 BIEDRN C=CCCCCCSCc1ncc(C)s1 ZINC000783469896 585835563 /nfs/dbraw/zinc/83/55/63/585835563.db2.gz NGTFQBJZYGGHGP-UHFFFAOYSA-N 0 0 241.425 4.431 20 30 BIEDRN CCC(=NNc1ccccc1)c1cccc(F)c1 ZINC000783511021 585835769 /nfs/dbraw/zinc/83/57/69/585835769.db2.gz HLFWKSTVVHZCQZ-UHFFFAOYSA-N 0 0 242.297 4.052 20 30 BIEDRN FC(F)(F)[C@@H]1CCCC(=NOC2CCCC2)C1 ZINC000783521753 585835768 /nfs/dbraw/zinc/83/57/68/585835768.db2.gz AZEWSZBUOHTAEP-SECBINFHSA-N 0 0 249.276 4.054 20 30 BIEDRN FC(F)(F)[C@H]1CCCC(=NOC2CCCC2)C1 ZINC000783521754 585835932 /nfs/dbraw/zinc/83/59/32/585835932.db2.gz AZEWSZBUOHTAEP-VIFPVBQESA-N 0 0 249.276 4.054 20 30 BIEDRN CC(C)(C)SCCSCCC(C)(C)C#N ZINC000783555426 582959360 /nfs/dbraw/zinc/95/93/60/582959360.db2.gz PWCKNIMDFISZKD-UHFFFAOYSA-N 0 0 245.457 4.191 20 30 BIEDRN Cc1ccc(N=NC[C@@H]2CCCC[C@@H]2C)cc1 ZINC000783770794 585842866 /nfs/dbraw/zinc/84/28/66/585842866.db2.gz COYBUXCCVXHSGM-KBPBESRZSA-N 0 0 230.355 4.219 20 30 BIEDRN Cc1ccc(N=NC[C@@H]2CCCC[C@H]2C)cc1 ZINC000783770802 585842754 /nfs/dbraw/zinc/84/27/54/585842754.db2.gz COYBUXCCVXHSGM-KGLIPLIRSA-N 0 0 230.355 4.219 20 30 BIEDRN Cc1ccc(N=NC[C@H]2CCCC[C@@H]2C)cc1 ZINC000783770803 585842736 /nfs/dbraw/zinc/84/27/36/585842736.db2.gz COYBUXCCVXHSGM-UONOGXRCSA-N 0 0 230.355 4.219 20 30 BIEDRN Cc1ccc(N=NC[C@H]2CCCC[C@H]2C)cc1 ZINC000783770804 585842711 /nfs/dbraw/zinc/84/27/11/585842711.db2.gz COYBUXCCVXHSGM-ZIAGYGMSSA-N 0 0 230.355 4.219 20 30 BIEDRN Cc1cccc(N=NC[C@@H]2CCCC[C@@H]2C)c1 ZINC000783771304 585842788 /nfs/dbraw/zinc/84/27/88/585842788.db2.gz DOADJIMXSCCLNE-KBPBESRZSA-N 0 0 230.355 4.219 20 30 BIEDRN Cc1cccc(N=NC[C@@H]2CCCC[C@H]2C)c1 ZINC000783771305 585842733 /nfs/dbraw/zinc/84/27/33/585842733.db2.gz DOADJIMXSCCLNE-KGLIPLIRSA-N 0 0 230.355 4.219 20 30 BIEDRN Cc1cccc(N=NC[C@H]2CCCC[C@@H]2C)c1 ZINC000783771306 585842728 /nfs/dbraw/zinc/84/27/28/585842728.db2.gz DOADJIMXSCCLNE-UONOGXRCSA-N 0 0 230.355 4.219 20 30 BIEDRN Cc1cccc(N=NC[C@H]2CCCC[C@H]2C)c1 ZINC000783771307 585842704 /nfs/dbraw/zinc/84/27/04/585842704.db2.gz DOADJIMXSCCLNE-ZIAGYGMSSA-N 0 0 230.355 4.219 20 30 BIEDRN CC[C@H]1CCC[C@H](CN=Nc2ccccc2)C1 ZINC000783774371 585842923 /nfs/dbraw/zinc/84/29/23/585842923.db2.gz USRQLZWCVTUIQC-KBPBESRZSA-N 0 0 230.355 4.301 20 30 BIEDRN CC[C@@H]1CCC[C@H](CN=Nc2ccccc2)C1 ZINC000783774372 585842911 /nfs/dbraw/zinc/84/29/11/585842911.db2.gz USRQLZWCVTUIQC-KGLIPLIRSA-N 0 0 230.355 4.301 20 30 BIEDRN CC[C@H]1CCC[C@@H](CN=Nc2ccccc2)C1 ZINC000783774373 585842931 /nfs/dbraw/zinc/84/29/31/585842931.db2.gz USRQLZWCVTUIQC-UONOGXRCSA-N 0 0 230.355 4.301 20 30 BIEDRN CC[C@@H]1CCC[C@@H](CN=Nc2ccccc2)C1 ZINC000783774374 585842832 /nfs/dbraw/zinc/84/28/32/585842832.db2.gz USRQLZWCVTUIQC-ZIAGYGMSSA-N 0 0 230.355 4.301 20 30 BIEDRN C[C@@H]1CCCC[C@H]1CN=Nc1ccc(F)cc1 ZINC000783782648 585843090 /nfs/dbraw/zinc/84/30/90/585843090.db2.gz FTXRWMVFKCELID-NEPJUHHUSA-N 0 0 234.318 4.050 20 30 BIEDRN C[C@H]1CCCC[C@@H]1CN=Nc1ccc(F)cc1 ZINC000783782649 585843101 /nfs/dbraw/zinc/84/31/01/585843101.db2.gz FTXRWMVFKCELID-NWDGAFQWSA-N 0 0 234.318 4.050 20 30 BIEDRN C[C@H]1CCCC[C@H]1CN=Nc1ccc(F)cc1 ZINC000783782650 585843214 /nfs/dbraw/zinc/84/32/14/585843214.db2.gz FTXRWMVFKCELID-RYUDHWBXSA-N 0 0 234.318 4.050 20 30 BIEDRN C[C@@H]1CCCC[C@@H]1CN=Nc1ccc(F)cc1 ZINC000783782651 585843189 /nfs/dbraw/zinc/84/31/89/585843189.db2.gz FTXRWMVFKCELID-VXGBXAGGSA-N 0 0 234.318 4.050 20 30 BIEDRN C[C@H]1CCCC[C@@H]1C=NOCc1ccccc1 ZINC000783821016 585844007 /nfs/dbraw/zinc/84/40/07/585844007.db2.gz KHJHNYWSDSRSTH-DZGCQCFKSA-N 0 0 231.339 4.015 20 30 BIEDRN C[C@@H]1CCCC[C@H]1C=NOCc1ccccc1 ZINC000783821017 585843990 /nfs/dbraw/zinc/84/39/90/585843990.db2.gz KHJHNYWSDSRSTH-HIFRSBDPSA-N 0 0 231.339 4.015 20 30 BIEDRN C[C@@H]1CCCC[C@@H]1C=NOCc1ccccc1 ZINC000783821018 585844024 /nfs/dbraw/zinc/84/40/24/585844024.db2.gz KHJHNYWSDSRSTH-UKRRQHHQSA-N 0 0 231.339 4.015 20 30 BIEDRN C[C@H]1CCCC[C@H]1C=NOCc1ccccc1 ZINC000783821019 585844115 /nfs/dbraw/zinc/84/41/15/585844115.db2.gz KHJHNYWSDSRSTH-ZFWWWQNUSA-N 0 0 231.339 4.015 20 30 BIEDRN C[C@@H]1CCCC[C@H]1CN=Nc1ccccc1F ZINC000783821122 585843993 /nfs/dbraw/zinc/84/39/93/585843993.db2.gz LAKCLBFMTSRXHP-NEPJUHHUSA-N 0 0 234.318 4.050 20 30 BIEDRN C[C@H]1CCCC[C@@H]1CN=Nc1ccccc1F ZINC000783821125 585843989 /nfs/dbraw/zinc/84/39/89/585843989.db2.gz LAKCLBFMTSRXHP-NWDGAFQWSA-N 0 0 234.318 4.050 20 30 BIEDRN C[C@H]1CCCC[C@H]1CN=Nc1ccccc1F ZINC000783821127 585844119 /nfs/dbraw/zinc/84/41/19/585844119.db2.gz LAKCLBFMTSRXHP-RYUDHWBXSA-N 0 0 234.318 4.050 20 30 BIEDRN C[C@@H]1CCCC[C@@H]1CN=Nc1ccccc1F ZINC000783821129 585844042 /nfs/dbraw/zinc/84/40/42/585844042.db2.gz LAKCLBFMTSRXHP-VXGBXAGGSA-N 0 0 234.318 4.050 20 30 BIEDRN C[C@@H]1CCCC[C@H]1CN=Nc1cccc(F)c1 ZINC000783830646 585844376 /nfs/dbraw/zinc/84/43/76/585844376.db2.gz AZXRTCJTHRXNAR-NEPJUHHUSA-N 0 0 234.318 4.050 20 30 BIEDRN C[C@H]1CCCC[C@@H]1CN=Nc1cccc(F)c1 ZINC000783830647 585844352 /nfs/dbraw/zinc/84/43/52/585844352.db2.gz AZXRTCJTHRXNAR-NWDGAFQWSA-N 0 0 234.318 4.050 20 30 BIEDRN C[C@H]1CCCC[C@H]1CN=Nc1cccc(F)c1 ZINC000783830649 585844363 /nfs/dbraw/zinc/84/43/63/585844363.db2.gz AZXRTCJTHRXNAR-RYUDHWBXSA-N 0 0 234.318 4.050 20 30 BIEDRN C[C@@H]1CCCC[C@@H]1CN=Nc1cccc(F)c1 ZINC000783830653 585844471 /nfs/dbraw/zinc/84/44/71/585844471.db2.gz AZXRTCJTHRXNAR-VXGBXAGGSA-N 0 0 234.318 4.050 20 30 BIEDRN Cc1ccc(N=NC(C)C2CCCCCC2)nc1 ZINC000783840196 585844366 /nfs/dbraw/zinc/84/43/66/585844366.db2.gz WRUNYULQILOXCB-UHFFFAOYSA-N 0 0 245.370 4.148 20 30 BIEDRN CCC(CC)NN=C(C)C1CCCCCC1 ZINC000783846296 585844679 /nfs/dbraw/zinc/84/46/79/585844679.db2.gz LQTUAYQKTCTRKL-UHFFFAOYSA-N 0 0 224.392 4.111 20 30 BIEDRN CC[C@H]1CCC[C@H](CN=Nc2cc(C)ccn2)C1 ZINC000783855725 585844963 /nfs/dbraw/zinc/84/49/63/585844963.db2.gz RARMSZBVJJQIDO-KBPBESRZSA-N 0 0 245.370 4.004 20 30 BIEDRN CC[C@@H]1CCC[C@H](CN=Nc2cc(C)ccn2)C1 ZINC000783855726 585844912 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245.370 4.004 20 30 BIEDRN CC[C@H]1C[C@H](C)CCC1N=Nc1ncccc1C ZINC000790191844 585960925 /nfs/dbraw/zinc/96/09/25/585960925.db2.gz ZBTNARHEDRKMSL-YPMHNXCESA-N 0 0 245.370 4.004 20 30 BIEDRN Cc1cccnc1N=NCC1(C)CCCCCC1 ZINC000790192904 585960846 /nfs/dbraw/zinc/96/08/46/585960846.db2.gz JQAJNKPLQRDONT-UHFFFAOYSA-N 0 0 245.370 4.148 20 30 BIEDRN Cc1cccnc1N=NC1CCCC[C@@H]1C(C)C ZINC000790192983 585960989 /nfs/dbraw/zinc/96/09/89/585960989.db2.gz MMDPHDYMNLRJFQ-CYBMUJFWSA-N 0 0 245.370 4.004 20 30 BIEDRN Cc1cccnc1N=NC1CCCC[C@H]1C(C)C ZINC000790192984 585961010 /nfs/dbraw/zinc/96/10/10/585961010.db2.gz MMDPHDYMNLRJFQ-ZDUSSCGKSA-N 0 0 245.370 4.004 20 30 BIEDRN Cc1cccnc1N=NC(C)CCCC(C)C ZINC000790192996 585960870 /nfs/dbraw/zinc/96/08/70/585960870.db2.gz NAYSMTOWXBDAQS-UHFFFAOYSA-N 0 0 233.359 4.004 20 30 BIEDRN CCC(N=Nc1ncccc1C)C1CCCCC1 ZINC000790193173 585960914 /nfs/dbraw/zinc/96/09/14/585960914.db2.gz WNTHDYXQPRWIRY-UHFFFAOYSA-N 0 0 245.370 4.148 20 30 BIEDRN Cc1cccnc1N=NCC1CCC(C)(C)CC1 ZINC000790193256 585961201 /nfs/dbraw/zinc/96/12/01/585961201.db2.gz ZYVQMHKLJUADJX-UHFFFAOYSA-N 0 0 245.370 4.004 20 30 BIEDRN Cc1cccnc1N=NC(C)CCC1CCCC1 ZINC000790193291 585961097 /nfs/dbraw/zinc/96/10/97/585961097.db2.gz BLADHHIWSLCCBF-UHFFFAOYSA-N 0 0 245.370 4.148 20 30 BIEDRN CCCCCCC(C)N=Nc1ncccc1C ZINC000790193530 585961075 /nfs/dbraw/zinc/96/10/75/585961075.db2.gz HBYXUKCODHGPIE-UHFFFAOYSA-N 0 0 233.359 4.148 20 30 BIEDRN CC[C@H]1CCC[C@H](CN=Nc2ncccc2C)C1 ZINC000790193795 585961051 /nfs/dbraw/zinc/96/10/51/585961051.db2.gz NEQVXCKNIYLTTO-KBPBESRZSA-N 0 0 245.370 4.004 20 30 BIEDRN CC[C@@H]1CCC[C@H](CN=Nc2ncccc2C)C1 ZINC000790193796 585961159 /nfs/dbraw/zinc/96/11/59/585961159.db2.gz NEQVXCKNIYLTTO-KGLIPLIRSA-N 0 0 245.370 4.004 20 30 BIEDRN CC[C@H]1CCC[C@@H](CN=Nc2ncccc2C)C1 ZINC000790193797 585961065 /nfs/dbraw/zinc/96/10/65/585961065.db2.gz NEQVXCKNIYLTTO-UONOGXRCSA-N 0 0 245.370 4.004 20 30 BIEDRN CC[C@@H]1CCC[C@@H](CN=Nc2ncccc2C)C1 ZINC000790193798 585961200 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/nfs/dbraw/zinc/96/12/48/585961248.db2.gz MBCKWIDKDIXHQJ-UHFFFAOYSA-N 0 0 243.137 4.335 20 30 BIEDRN CCCCCCCC[S@](=O)C(CC)CC ZINC000790209943 585961462 /nfs/dbraw/zinc/96/14/62/585961462.db2.gz CGSAYULNYQLLSN-HNNXBMFYSA-N 0 0 232.433 4.284 20 30 BIEDRN CCCCCCCC[S@@](=O)C(CC)CC ZINC000790209947 585961284 /nfs/dbraw/zinc/96/12/84/585961284.db2.gz CGSAYULNYQLLSN-OAHLLOKOSA-N 0 0 232.433 4.284 20 30 BIEDRN CCCCCCCC[S@@](=O)C[C@@H](C)CC ZINC000790210452 585961429 /nfs/dbraw/zinc/96/14/29/585961429.db2.gz DZWPNFMRWNRIKE-DZGCQCFKSA-N 0 0 232.433 4.142 20 30 BIEDRN CCCCCCCC[S@](=O)C[C@H](C)CC ZINC000790210454 585961467 /nfs/dbraw/zinc/96/14/67/585961467.db2.gz DZWPNFMRWNRIKE-HIFRSBDPSA-N 0 0 232.433 4.142 20 30 BIEDRN CCCCCCCC[S@@](=O)C[C@H](C)CC ZINC000790210456 585961412 /nfs/dbraw/zinc/96/14/12/585961412.db2.gz DZWPNFMRWNRIKE-UKRRQHHQSA-N 0 0 232.433 4.142 20 30 BIEDRN CCCCCCCC[S@](=O)C[C@@H](C)CC ZINC000790210458 585961487 /nfs/dbraw/zinc/96/14/87/585961487.db2.gz DZWPNFMRWNRIKE-ZFWWWQNUSA-N 0 0 232.433 4.142 20 30 BIEDRN CCCCCCCC[S@@](=O)[C@@H](C)C(C)C ZINC000790211496 585961406 /nfs/dbraw/zinc/96/14/06/585961406.db2.gz NBLLFIRDYOUUND-DZGCQCFKSA-N 0 0 232.433 4.140 20 30 BIEDRN CCCCCCCC[S@](=O)[C@H](C)C(C)C ZINC000790211498 585961454 /nfs/dbraw/zinc/96/14/54/585961454.db2.gz NBLLFIRDYOUUND-HIFRSBDPSA-N 0 0 232.433 4.140 20 30 BIEDRN CCCCCCCC[S@@](=O)[C@H](C)C(C)C ZINC000790211499 585961477 /nfs/dbraw/zinc/96/14/77/585961477.db2.gz NBLLFIRDYOUUND-UKRRQHHQSA-N 0 0 232.433 4.140 20 30 BIEDRN CCCCCCCC[S@](=O)[C@@H](C)C(C)C ZINC000790211500 585961296 /nfs/dbraw/zinc/96/12/96/585961296.db2.gz NBLLFIRDYOUUND-ZFWWWQNUSA-N 0 0 232.433 4.140 20 30 BIEDRN O=C(/C=C\c1ccsc1Cl)c1ccccc1 ZINC000790212388 585961340 /nfs/dbraw/zinc/96/13/40/585961340.db2.gz WIEQUKIWELJEEY-SREVYHEPSA-N 0 0 248.734 4.298 20 30 BIEDRN O=C(/C=C/c1ccsc1Cl)c1ccccc1 ZINC000790212392 585961337 /nfs/dbraw/zinc/96/13/37/585961337.db2.gz WIEQUKIWELJEEY-VOTSOKGWSA-N 0 0 248.734 4.298 20 30 BIEDRN CCCCCCCC[S@](=O)c1cccs1 ZINC000790212519 585961488 /nfs/dbraw/zinc/96/14/88/585961488.db2.gz XJLDIFDKVHDUOD-HNNXBMFYSA-N 0 0 244.425 4.216 20 30 BIEDRN CCCCCCCC[S@@](=O)c1cccs1 ZINC000790212520 585961359 /nfs/dbraw/zinc/96/13/59/585961359.db2.gz XJLDIFDKVHDUOD-OAHLLOKOSA-N 0 0 244.425 4.216 20 30 BIEDRN CCCCCCCSc1nc(C)co1 ZINC000790279266 585962273 /nfs/dbraw/zinc/96/22/73/585962273.db2.gz NPRPSBBRBQHKQJ-UHFFFAOYSA-N 0 0 213.346 4.046 20 30 BIEDRN C=CCCS[C@@H](C)[C@H](C)SCCC=C ZINC000790280084 585962314 /nfs/dbraw/zinc/96/23/14/585962314.db2.gz ASSBKYRHTJQDHB-RYUDHWBXSA-N 0 0 230.442 4.382 20 30 BIEDRN C=CCCS[C@H](C)[C@H](C)SCCC=C ZINC000790280132 585962291 /nfs/dbraw/zinc/96/22/91/585962291.db2.gz ASSBKYRHTJQDHB-TXEJJXNPSA-N 0 0 230.442 4.382 20 30 BIEDRN C=CCCS[C@H](C)[C@@H](C)SCCC=C ZINC000790280134 585962285 /nfs/dbraw/zinc/96/22/85/585962285.db2.gz ASSBKYRHTJQDHB-VXGBXAGGSA-N 0 0 230.442 4.382 20 30 BIEDRN CC(C)Oc1ccc(CSCCCC#N)cc1 ZINC000790562736 585966297 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C[C@H](NN=C1CCC2(CC2)CC1)c1ccccc1 ZINC000792629836 586003511 /nfs/dbraw/zinc/00/35/11/586003511.db2.gz QLCGLUYHONWUSV-ZDUSSCGKSA-N 0 0 242.366 4.047 20 30 BIEDRN Fc1ccc(CON=C2CCC3(CC3)CC2)cc1 ZINC000792641820 586003619 /nfs/dbraw/zinc/00/36/19/586003619.db2.gz JGRASQBYBVJWMA-UHFFFAOYSA-N 0 0 247.313 4.053 20 30 BIEDRN C1CC12CCC(=NOC1CCCCC1)CC2 ZINC000792643599 586003731 /nfs/dbraw/zinc/00/37/31/586003731.db2.gz SVDMKHHPNJQDBN-UHFFFAOYSA-N 0 0 221.344 4.046 20 30 BIEDRN CCCCN=Nc1ccc(Cl)c(Cl)c1 ZINC000793076139 586009588 /nfs/dbraw/zinc/00/95/88/586009588.db2.gz IZFLTMYFJHBFGQ-UHFFFAOYSA-N 0 0 231.126 4.191 20 30 BIEDRN CC(C)CCN=Nc1ccc(Cl)c(Cl)c1 ZINC000793076396 586009691 /nfs/dbraw/zinc/00/96/91/586009691.db2.gz NEIXUSLNGUYCLT-UHFFFAOYSA-N 0 0 245.153 4.437 20 30 BIEDRN C[C@@H](NN=C1CCCCCCC1)C(C)(C)C ZINC000793116246 583554259 /nfs/dbraw/zinc/55/42/59/583554259.db2.gz RSXYXHHZFLRTEP-GFCCVEGCSA-N 0 0 224.392 4.111 20 30 BIEDRN C[C@H](NN=C1CCCCCCC1)C(C)(C)C ZINC000793116263 583554004 /nfs/dbraw/zinc/55/40/04/583554004.db2.gz RSXYXHHZFLRTEP-LBPRGKRZSA-N 0 0 224.392 4.111 20 30 BIEDRN CC(C)=CCCC(C)N=N[C@H](C)C(C)(C)C ZINC000793117323 586010950 /nfs/dbraw/zinc/01/09/50/586010950.db2.gz XBGANEQGCWYSDU-CYBMUJFWSA-N 0 0 224.392 4.133 20 30 BIEDRN CC(C)=CCCC(C)N=N[C@@H](C)C(C)(C)C ZINC000793117325 586011017 /nfs/dbraw/zinc/01/10/17/586011017.db2.gz XBGANEQGCWYSDU-ZDUSSCGKSA-N 0 0 224.392 4.133 20 30 BIEDRN CC(=CN=N[C@H](C)C(C)(C)C)Cc1ccccc1 ZINC000793117346 586010946 /nfs/dbraw/zinc/01/09/46/586010946.db2.gz XEJVYDJMZGQXFA-FISXXMRCSA-N 0 0 244.382 4.100 20 30 BIEDRN C/C(C=NN[C@@H](C)C(C)(C)C)=C\c1ccccc1 ZINC000793117348 583554409 /nfs/dbraw/zinc/55/44/09/583554409.db2.gz XEJVYDJMZGQXFA-HDTYTRGHSA-N 0 0 244.382 4.100 20 30 BIEDRN CC(=CN=N[C@H](C)C(C)(C)C)Cc1ccccc1 ZINC000793117362 583554375 /nfs/dbraw/zinc/55/43/75/583554375.db2.gz XEJVYDJMZGQXFA-PSGCLAJPSA-N 0 0 244.382 4.100 20 30 BIEDRN CC(=CN=N[C@@H](C)C(C)(C)C)Cc1ccccc1 ZINC000793117364 583554030 /nfs/dbraw/zinc/55/40/30/583554030.db2.gz XEJVYDJMZGQXFA-SCESXESPSA-N 0 0 244.382 4.100 20 30 BIEDRN CC[C@H](C)CON=C1CC(c2ccc(F)cc2)C1 ZINC000793146447 586011746 /nfs/dbraw/zinc/01/17/46/586011746.db2.gz RXXVGMZKBIIUGK-AMGKYWFPSA-N 0 0 249.329 4.122 20 30 BIEDRN CC[C@@H](C)CON=C1CC(c2ccc(F)cc2)C1 ZINC000793146448 583561026 /nfs/dbraw/zinc/56/10/26/583561026.db2.gz RXXVGMZKBIIUGK-JTDNENJMSA-N 0 0 249.329 4.122 20 30 BIEDRN CC[C@H](C)CON=C(C)C1CCC(F)(F)CC1 ZINC000793146851 583562972 /nfs/dbraw/zinc/56/29/72/583562972.db2.gz VTVJBOUITSKALL-JTQLQIEISA-N 0 0 247.329 4.251 20 30 BIEDRN CC[C@@H](C)CON=C(C)C1CCC(F)(F)CC1 ZINC000793146853 583563173 /nfs/dbraw/zinc/56/31/73/583563173.db2.gz VTVJBOUITSKALL-SNVBAGLBSA-N 0 0 247.329 4.251 20 30 BIEDRN CC[C@H](C)CON=C1CC(c2cccc(F)c2)C1 ZINC000793159061 586012206 /nfs/dbraw/zinc/01/22/06/586012206.db2.gz KTFJSWHTTLIIGV-AMGKYWFPSA-N 0 0 249.329 4.122 20 30 BIEDRN CC[C@@H](C)CON=C1CC(c2cccc(F)c2)C1 ZINC000793159062 586012120 /nfs/dbraw/zinc/01/21/20/586012120.db2.gz KTFJSWHTTLIIGV-JTDNENJMSA-N 0 0 249.329 4.122 20 30 BIEDRN CC[C@H](C)CON=Cc1ccc(C(F)F)cc1 ZINC000793159734 586012258 /nfs/dbraw/zinc/01/22/58/586012258.db2.gz RAALTLVEOHLDNQ-JTQLQIEISA-N 0 0 241.281 4.021 20 30 BIEDRN CC[C@@H](C)CON=Cc1ccc(C(F)F)cc1 ZINC000793159736 586012243 /nfs/dbraw/zinc/01/22/43/586012243.db2.gz RAALTLVEOHLDNQ-SNVBAGLBSA-N 0 0 241.281 4.021 20 30 BIEDRN CC[C@@H](C)CON=C1CC(c2ccccc2F)C1 ZINC000793160041 586012129 /nfs/dbraw/zinc/01/21/29/586012129.db2.gz UCMSDBANZOWBAW-JHJMLUEUSA-N 0 0 249.329 4.122 20 30 BIEDRN CC[C@H](C)CON=C1CC(c2ccccc2F)C1 ZINC000793160043 586012130 /nfs/dbraw/zinc/01/21/30/586012130.db2.gz UCMSDBANZOWBAW-PXYINDEMSA-N 0 0 249.329 4.122 20 30 BIEDRN CCCCC(CC)N=Nc1cccc(Cl)n1 ZINC000793161962 586012417 /nfs/dbraw/zinc/01/24/17/586012417.db2.gz OBKYLJGCULNRHD-UHFFFAOYSA-N 0 0 239.750 4.103 20 30 BIEDRN CC[C@@H](C)CON=C(C)CCc1ccsc1 ZINC000793162759 586011996 /nfs/dbraw/zinc/01/19/96/586011996.db2.gz BZHYIQALIHYJRW-LLVKDONJSA-N 0 0 239.384 4.119 20 30 BIEDRN CC[C@H](C)CON=C(C)CCc1ccsc1 ZINC000793162771 586011998 /nfs/dbraw/zinc/01/19/98/586011998.db2.gz BZHYIQALIHYJRW-NSHDSACASA-N 0 0 239.384 4.119 20 30 BIEDRN CC[C@@H](C)CON=C(C)CCCC(F)(F)F ZINC000793163494 586012526 /nfs/dbraw/zinc/01/25/26/586012526.db2.gz LGSOSGDKRRXJBA-SECBINFHSA-N 0 0 239.281 4.158 20 30 BIEDRN CC[C@H](C)CON=C(C)CCCC(F)(F)F ZINC000793163497 586012643 /nfs/dbraw/zinc/01/26/43/586012643.db2.gz LGSOSGDKRRXJBA-VIFPVBQESA-N 0 0 239.281 4.158 20 30 BIEDRN CCCC(CCC)N=Nc1cccc(Cl)n1 ZINC000793174666 586013143 /nfs/dbraw/zinc/01/31/43/586013143.db2.gz MIGZYVNHTFXKMK-UHFFFAOYSA-N 0 0 239.750 4.103 20 30 BIEDRN CCCCCCCN=Nc1cccc(Cl)n1 ZINC000793176077 586013061 /nfs/dbraw/zinc/01/30/61/586013061.db2.gz YBONXDIBZWNKIX-UHFFFAOYSA-N 0 0 239.750 4.103 20 30 BIEDRN CCCCCC(C)N=Nc1cccc(Cl)n1 ZINC000793176151 586013127 /nfs/dbraw/zinc/01/31/27/586013127.db2.gz ZEHWVRYHJGNVOF-UHFFFAOYSA-N 0 0 239.750 4.103 20 30 BIEDRN Cc1cccc(-c2ccc3cc[nH]c3c2)c1C#N ZINC000793368162 644803418 /nfs/dbraw/zinc/80/34/18/644803418.db2.gz GSEYYPGKFBYLAS-UHFFFAOYSA-N 0 0 232.286 4.015 20 30 BIEDRN Cc1cccc(-c2cncc3ccccc32)c1C#N ZINC000793368377 644803322 /nfs/dbraw/zinc/80/33/22/644803322.db2.gz LORBAXGUCFRRLI-UHFFFAOYSA-N 0 0 244.297 4.082 20 30 BIEDRN Cc1cccc(-c2cccc3cnccc32)c1C#N ZINC000793368785 644803259 /nfs/dbraw/zinc/80/32/59/644803259.db2.gz WENCHHCOOOJHPE-UHFFFAOYSA-N 0 0 244.297 4.082 20 30 BIEDRN Cc1cccc(-c2cccc3ccncc32)c1C#N ZINC000793368802 644803486 /nfs/dbraw/zinc/80/34/86/644803486.db2.gz WOZCFUBHYKSUKG-UHFFFAOYSA-N 0 0 244.297 4.082 20 30 BIEDRN Cc1cccc(-c2ccnc3ccccc32)c1C#N ZINC000793368826 586017933 /nfs/dbraw/zinc/01/79/33/586017933.db2.gz XTJYDDIGSARAPS-UHFFFAOYSA-N 0 0 244.297 4.082 20 30 BIEDRN N#Cc1ccccc1-c1ccc2sccc2c1 ZINC000793382737 586017812 /nfs/dbraw/zinc/01/78/12/586017812.db2.gz UOFWWGWTBVAPNT-UHFFFAOYSA-N 0 0 235.311 4.440 20 30 BIEDRN C=CCCCCC[C@H](C)Nc1cccc(CO)c1 ZINC000793590255 586023891 /nfs/dbraw/zinc/02/38/91/586023891.db2.gz OGMNUHZFHCMNMZ-AWEZNQCLSA-N 0 0 247.382 4.116 20 30 BIEDRN C=CCCCCC[C@@H](C)Nc1cccc(CO)c1 ZINC000793590259 586023835 /nfs/dbraw/zinc/02/38/35/586023835.db2.gz OGMNUHZFHCMNMZ-CQSZACIVSA-N 0 0 247.382 4.116 20 30 BIEDRN C=C(C)CNc1ccc(-c2ccncc2)c(C)c1 ZINC000793886765 586028508 /nfs/dbraw/zinc/02/85/08/586028508.db2.gz BOXDEMPVAHEDDQ-UHFFFAOYSA-N 0 0 238.334 4.045 20 30 BIEDRN FC(F)c1ccc(C=NNc2ccccc2)cc1 ZINC000794445587 583599574 /nfs/dbraw/zinc/59/95/74/583599574.db2.gz QINDOMIGEFCLIU-UHFFFAOYSA-N 0 0 246.260 4.070 20 30 BIEDRN CC(C)C[C@H]1CCCC(N=Nc2ccccn2)C1 ZINC000794471875 586040455 /nfs/dbraw/zinc/04/04/55/586040455.db2.gz RTYZNIJJRYXXLI-CYBMUJFWSA-N 0 0 245.370 4.086 20 30 BIEDRN CC(C)C[C@@H]1CCCC(N=Nc2ccccn2)C1 ZINC000794471922 586040374 /nfs/dbraw/zinc/04/03/74/586040374.db2.gz RTYZNIJJRYXXLI-ZDUSSCGKSA-N 0 0 245.370 4.086 20 30 BIEDRN Cc1ccc(N=NC2CCC[C@@H](C(C)C)C2)nc1 ZINC000794507153 586041147 /nfs/dbraw/zinc/04/11/47/586041147.db2.gz YAWHILRLTCABBC-CYBMUJFWSA-N 0 0 245.370 4.004 20 30 BIEDRN Cc1ccc(N=NC2CCC[C@H](C(C)C)C2)nc1 ZINC000794507158 586041206 /nfs/dbraw/zinc/04/12/06/586041206.db2.gz YAWHILRLTCABBC-ZDUSSCGKSA-N 0 0 245.370 4.004 20 30 BIEDRN Cc1ccnc(N=NC2CCC[C@@H](C(C)C)C2)c1 ZINC000794516593 586041343 /nfs/dbraw/zinc/04/13/43/586041343.db2.gz JXVDFVIQLHAZKB-CYBMUJFWSA-N 0 0 245.370 4.004 20 30 BIEDRN Cc1ccnc(N=NC2CCC[C@H](C(C)C)C2)c1 ZINC000794516595 586041297 /nfs/dbraw/zinc/04/12/97/586041297.db2.gz JXVDFVIQLHAZKB-ZDUSSCGKSA-N 0 0 245.370 4.004 20 30 BIEDRN CC(C)CON=C[C@H](c1ccccc1)C(C)C ZINC000794524059 586041792 /nfs/dbraw/zinc/04/17/92/586041792.db2.gz ULMFBFCRDXHKSW-HNNXBMFYSA-N 0 0 233.355 4.085 20 30 BIEDRN CC(C)CON=C[C@@H](c1ccccc1)C(C)C ZINC000794524060 586041871 /nfs/dbraw/zinc/04/18/71/586041871.db2.gz ULMFBFCRDXHKSW-OAHLLOKOSA-N 0 0 233.355 4.085 20 30 BIEDRN CC(C)[C@H](C=NOC1CCCC1)c1ccccc1 ZINC000794527211 583603378 /nfs/dbraw/zinc/60/33/78/583603378.db2.gz XCTQOBRQQWIABL-INIZCTEOSA-N 0 0 245.366 4.371 20 30 BIEDRN CC(C)[C@@H](C=NOC1CCCC1)c1ccccc1 ZINC000794527214 583603345 /nfs/dbraw/zinc/60/33/45/583603345.db2.gz XCTQOBRQQWIABL-MRXNPFEDSA-N 0 0 245.366 4.371 20 30 BIEDRN Cc1cccnc1N=NC1CCC[C@@H](C(C)C)C1 ZINC000794536667 586042484 /nfs/dbraw/zinc/04/24/84/586042484.db2.gz WUHNQHAMNONOCM-CYBMUJFWSA-N 0 0 245.370 4.004 20 30 BIEDRN Cc1cccnc1N=NC1CCC[C@H](C(C)C)C1 ZINC000794536669 586042669 /nfs/dbraw/zinc/04/26/69/586042669.db2.gz WUHNQHAMNONOCM-ZDUSSCGKSA-N 0 0 245.370 4.004 20 30 BIEDRN CSCCON=CC[C@H](C)CCC=C(C)C ZINC000794573683 586044406 /nfs/dbraw/zinc/04/44/06/586044406.db2.gz HOSREEWTUREMNE-CYBMUJFWSA-N 0 0 243.416 4.124 20 30 BIEDRN CSCCON=C/C=C(/C)CCC=C(C)C ZINC000794574723 586044775 /nfs/dbraw/zinc/04/47/75/586044775.db2.gz NDLRIKJGZXIAJP-IWFLNBKMSA-N 0 0 241.400 4.045 20 30 BIEDRN CSCCON=C/C=C(\C)CCC=C(C)C ZINC000794574726 586044822 /nfs/dbraw/zinc/04/48/22/586044822.db2.gz NDLRIKJGZXIAJP-UVGNWNSDSA-N 0 0 241.400 4.045 20 30 BIEDRN CCCCCC1=CCCC1=NOCCSC ZINC000794575074 586044831 /nfs/dbraw/zinc/04/48/31/586044831.db2.gz WCOQDDILXCOYCG-UHFFFAOYSA-N 0 0 241.400 4.023 20 30 BIEDRN Cc1cc(C)cc(N=NC2CCC[C@@H]2CCF)c1 ZINC000794877323 586052941 /nfs/dbraw/zinc/05/29/41/586052941.db2.gz DWKLBHIEDVFPJE-CYBMUJFWSA-N 0 0 248.345 4.231 20 30 BIEDRN Cc1cc(C)cc(N=NC2CCC[C@H]2CCF)c1 ZINC000794877324 586053214 /nfs/dbraw/zinc/05/32/14/586053214.db2.gz DWKLBHIEDVFPJE-ZDUSSCGKSA-N 0 0 248.345 4.231 20 30 BIEDRN Cc1ccc(C)c(N=NC2CCC[C@@H]2CCF)c1 ZINC000794877433 586052791 /nfs/dbraw/zinc/05/27/91/586052791.db2.gz HVGZXCRDMYGDRJ-CYBMUJFWSA-N 0 0 248.345 4.231 20 30 BIEDRN Cc1ccc(C)c(N=NC2CCC[C@H]2CCF)c1 ZINC000794877434 586053124 /nfs/dbraw/zinc/05/31/24/586053124.db2.gz HVGZXCRDMYGDRJ-ZDUSSCGKSA-N 0 0 248.345 4.231 20 30 BIEDRN CCc1ccccc1N=NC1CCC[C@@H]1CCF ZINC000794896352 586053934 /nfs/dbraw/zinc/05/39/34/586053934.db2.gz KJVJJTWYVPLHQX-CYBMUJFWSA-N 0 0 248.345 4.177 20 30 BIEDRN CCc1ccccc1N=NC1CCC[C@H]1CCF ZINC000794896354 583626888 /nfs/dbraw/zinc/62/68/88/583626888.db2.gz KJVJJTWYVPLHQX-ZDUSSCGKSA-N 0 0 248.345 4.177 20 30 BIEDRN C#CCCCSCc1cccc(C(F)F)c1 ZINC000794898521 586053732 /nfs/dbraw/zinc/05/37/32/586053732.db2.gz NGXVBWSIBYITDT-UHFFFAOYSA-N 0 0 240.318 4.271 20 30 BIEDRN CCCCCCC[S@@](=O)[C@@H](CC)CCC ZINC000794908582 586054356 /nfs/dbraw/zinc/05/43/56/586054356.db2.gz RHRFTVXEYUCSHF-DZGCQCFKSA-N 0 0 232.433 4.284 20 30 BIEDRN CCCCCCC[S@](=O)[C@H](CC)CCC ZINC000794908595 586054369 /nfs/dbraw/zinc/05/43/69/586054369.db2.gz RHRFTVXEYUCSHF-HIFRSBDPSA-N 0 0 232.433 4.284 20 30 BIEDRN CCCCCCC[S@@](=O)[C@H](CC)CCC ZINC000794908598 586054197 /nfs/dbraw/zinc/05/41/97/586054197.db2.gz RHRFTVXEYUCSHF-UKRRQHHQSA-N 0 0 232.433 4.284 20 30 BIEDRN CCCCCCC[S@](=O)[C@@H](CC)CCC ZINC000794908601 586054362 /nfs/dbraw/zinc/05/43/62/586054362.db2.gz RHRFTVXEYUCSHF-ZFWWWQNUSA-N 0 0 232.433 4.284 20 30 BIEDRN O=C(/C=C/c1ccc(C(F)F)cc1)c1ccco1 ZINC000794940992 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224.394 4.218 20 30 BIEDRN C=C(Cl)CSCCCc1ccccc1 ZINC000913396065 640366026 /nfs/dbraw/zinc/36/60/26/640366026.db2.gz HEGZEBIHQULWQS-UHFFFAOYSA-N 0 0 226.772 4.105 20 30 BIEDRN C=C(Cl)CSC/C=C/c1ccccc1 ZINC000913396118 640365846 /nfs/dbraw/zinc/36/58/46/640365846.db2.gz KJNBZHCXYRWWAT-VMPITWQZSA-N 0 0 224.756 4.186 20 30 BIEDRN C=C(Cl)CSC/C=C\c1ccccc1 ZINC000913396119 640365288 /nfs/dbraw/zinc/36/52/88/640365288.db2.gz KJNBZHCXYRWWAT-YVMONPNESA-N 0 0 224.756 4.186 20 30 BIEDRN C=C(Cl)CSCc1ccccc1OCC ZINC000913396214 640365308 /nfs/dbraw/zinc/36/53/08/640365308.db2.gz RSUKXKJYLWEWNZ-UHFFFAOYSA-N 0 0 242.771 4.071 20 30 BIEDRN C=C(Cl)CSCc1ccc(SC)cc1 ZINC000913396237 640366010 /nfs/dbraw/zinc/36/60/10/640366010.db2.gz SYGDNMXNEHKNLG-UHFFFAOYSA-N 0 0 244.812 4.394 20 30 BIEDRN CCCCCCCC(=O)N(C)[C@H](C)C(C)(C)C ZINC000914431550 641699008 /nfs/dbraw/zinc/69/90/08/641699008.db2.gz IOKCJADNBMFCEM-CYBMUJFWSA-N 0 0 241.419 4.240 20 30 BIEDRN CCCCCCCC(=O)N(C)[C@@H](C)C(C)(C)C ZINC000914431551 641698548 /nfs/dbraw/zinc/69/85/48/641698548.db2.gz IOKCJADNBMFCEM-ZDUSSCGKSA-N 0 0 241.419 4.240 20 30 BIEDRN CCCCCCCC(=O)N[C@H]1CCC[C@H](C)C1 ZINC000914445038 641713574 /nfs/dbraw/zinc/71/35/74/641713574.db2.gz LDGFAYHVXZIZEX-KBPBESRZSA-N 0 0 239.403 4.042 20 30 BIEDRN CCCCCCCC(=O)N[C@H]1CCC[C@@H](C)C1 ZINC000914445044 641712718 /nfs/dbraw/zinc/71/27/18/641712718.db2.gz LDGFAYHVXZIZEX-KGLIPLIRSA-N 0 0 239.403 4.042 20 30 BIEDRN CCCCCCCC(=O)N[C@@H]1CCC[C@H](C)C1 ZINC000914445045 641713572 /nfs/dbraw/zinc/71/35/72/641713572.db2.gz LDGFAYHVXZIZEX-UONOGXRCSA-N 0 0 239.403 4.042 20 30 BIEDRN CCCCCCCC(=O)N[C@@H]1CCC[C@@H](C)C1 ZINC000914445046 641713375 /nfs/dbraw/zinc/71/33/75/641713375.db2.gz LDGFAYHVXZIZEX-ZIAGYGMSSA-N 0 0 239.403 4.042 20 30 BIEDRN CCCCCCCC(=O)N(CCCC)C1CC1 ZINC000914472616 641718258 /nfs/dbraw/zinc/71/82/58/641718258.db2.gz OJWVULBCABVPQJ-UHFFFAOYSA-N 0 0 239.403 4.138 20 30 BIEDRN CCCCCCCCC(=O)N(C(C)C)C1CC1 ZINC000914473752 641717155 /nfs/dbraw/zinc/71/71/55/641717155.db2.gz BUEADSKMWWVZNQ-UHFFFAOYSA-N 0 0 239.403 4.136 20 30 BIEDRN CCCCCCCCCC(=O)N(C)CC(C)C ZINC000914500938 641725041 /nfs/dbraw/zinc/72/50/41/641725041.db2.gz BIQZKEFYNIMFEW-UHFFFAOYSA-N 0 0 241.419 4.242 20 30 BIEDRN CCCCCCCCC(=O)N(C)CCC(C)C ZINC000914501089 641725165 /nfs/dbraw/zinc/72/51/65/641725165.db2.gz UOIIBELTFSYARC-UHFFFAOYSA-N 0 0 241.419 4.242 20 30 BIEDRN CCCCCCCC(=O)N(CCC)CC(C)C ZINC000914504721 641727132 /nfs/dbraw/zinc/72/71/32/641727132.db2.gz BYTNTQVVIGNXJR-UHFFFAOYSA-N 0 0 241.419 4.242 20 30 BIEDRN CCCCCCCCC(=O)N(CC)CC(C)C ZINC000914504887 641725744 /nfs/dbraw/zinc/72/57/44/641725744.db2.gz HAFUKAOSZBDHMJ-UHFFFAOYSA-N 0 0 241.419 4.242 20 30 BIEDRN CCCCCCCCCC(=O)N(C)[C@@H](C)CC ZINC000914529199 641732093 /nfs/dbraw/zinc/73/20/93/641732093.db2.gz ASCGWCLKJJBFNF-AWEZNQCLSA-N 0 0 241.419 4.384 20 30 BIEDRN CCCCCCCCCC(=O)N(C)[C@H](C)CC ZINC000914529200 641732504 /nfs/dbraw/zinc/73/25/04/641732504.db2.gz ASCGWCLKJJBFNF-CQSZACIVSA-N 0 0 241.419 4.384 20 30 BIEDRN CON=C(C)c1ccc(SC2CCCC2)cc1 ZINC000914695196 641752667 /nfs/dbraw/zinc/75/26/67/641752667.db2.gz JNPQNSLYUYAMTP-UHFFFAOYSA-N 0 0 249.379 4.092 20 30 BIEDRN CCCCCCCCC(=O)NCC1CCCC1 ZINC000914736104 641758737 /nfs/dbraw/zinc/75/87/37/641758737.db2.gz FRLQTESQOAXMGA-UHFFFAOYSA-N 0 0 239.403 4.043 20 30 BIEDRN CCCc1ccccc1N=Cc1ccccc1O ZINC000914773295 641762597 /nfs/dbraw/zinc/76/25/97/641762597.db2.gz CHNLMGOYSCERAK-UHFFFAOYSA-N 0 0 239.318 4.095 20 30 BIEDRN CC(=NNc1cccc(Cl)c1C)c1ccco1 ZINC000915050785 641794825 /nfs/dbraw/zinc/79/48/25/641794825.db2.gz CJUMAXRVMZCEQQ-UHFFFAOYSA-N 0 0 248.713 4.078 20 30 BIEDRN Cc1c(Cl)cccc1N=NC[C@@H]1CC=CCC1 ZINC000915050827 641794373 /nfs/dbraw/zinc/79/43/73/641794373.db2.gz FBFDASZXIGJIME-GFCCVEGCSA-N 0 0 248.757 4.402 20 30 BIEDRN Cc1c(Cl)cccc1N=NC[C@H]1CC=CCC1 ZINC000915050828 641794645 /nfs/dbraw/zinc/79/46/45/641794645.db2.gz FBFDASZXIGJIME-LBPRGKRZSA-N 0 0 248.757 4.402 20 30 BIEDRN CCC(N=Nc1cccc(Cl)c1C)C(C)C 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FKFMULTZSYGHDL-UHFFFAOYSA-N 0 0 238.334 4.003 20 30 BIEDRN CC[C@@H](C)C(C)N=Nc1cccc(Cl)c1C ZINC000915051448 641796744 /nfs/dbraw/zinc/79/67/44/641796744.db2.gz UQGVCBZFGGCKHA-SECBINFHSA-N 0 0 238.762 4.482 20 30 BIEDRN CC[C@H](C)C(C)N=Nc1cccc(Cl)c1C ZINC000915051449 641796152 /nfs/dbraw/zinc/79/61/52/641796152.db2.gz UQGVCBZFGGCKHA-VIFPVBQESA-N 0 0 238.762 4.482 20 30 BIEDRN CCC(CC)N=Nc1cccc(Cl)c1C ZINC000915051457 641795898 /nfs/dbraw/zinc/79/58/98/641795898.db2.gz VFUFIIHVTPYKBL-UHFFFAOYSA-N 0 0 224.735 4.236 20 30 BIEDRN CCC(CC)CN=Nc1cccc(Cl)c1C ZINC000915051531 641796394 /nfs/dbraw/zinc/79/63/94/641796394.db2.gz YIKUYDWPPQKXKO-UHFFFAOYSA-N 0 0 238.762 4.482 20 30 BIEDRN Cc1c(Cl)cccc1N=NCCC(C)C ZINC000915051532 641796749 /nfs/dbraw/zinc/79/67/49/641796749.db2.gz YIRBOCGFNPXYJH-UHFFFAOYSA-N 0 0 224.735 4.092 20 30 BIEDRN CCc1ccccc1NN=C(C)c1ccccc1 ZINC000915051576 641796066 /nfs/dbraw/zinc/79/60/66/641796066.db2.gz HYVLZEROIFSXCC-UHFFFAOYSA-N 0 0 238.334 4.085 20 30 BIEDRN CCc1ccccc1NN=Cc1ccc(C)cc1 ZINC000915051595 641796059 /nfs/dbraw/zinc/79/60/59/641796059.db2.gz IZHLGPPOCICJRC-UHFFFAOYSA-N 0 0 238.334 4.003 20 30 BIEDRN CCc1ccccc1N=NCC(CC)CC ZINC000915051601 641795621 /nfs/dbraw/zinc/79/56/21/641795621.db2.gz JEDZUULPDBYTQS-UHFFFAOYSA-N 0 0 218.344 4.083 20 30 BIEDRN CCc1ccccc1NN=C(C)c1cccs1 ZINC000915051604 641796793 /nfs/dbraw/zinc/79/67/93/641796793.db2.gz JHLFOQPPKGBRCP-UHFFFAOYSA-N 0 0 244.363 4.147 20 30 BIEDRN CCc1ccccc1NN=Cc1sccc1C ZINC000915051621 641796314 /nfs/dbraw/zinc/79/63/14/641796314.db2.gz KGECQNKKWLKVBJ-UHFFFAOYSA-N 0 0 244.363 4.065 20 30 BIEDRN CCc1ccccc1NN=Cc1cccc(C)c1 ZINC000915051675 641796112 /nfs/dbraw/zinc/79/61/12/641796112.db2.gz MPCBMHRVDCEBBY-UHFFFAOYSA-N 0 0 238.334 4.003 20 30 BIEDRN CCc1ccccc1NN=Cc1ccc(C)s1 ZINC000915051721 641796566 /nfs/dbraw/zinc/79/65/66/641796566.db2.gz ONBVCFIQGMWZRD-UHFFFAOYSA-N 0 0 244.363 4.065 20 30 BIEDRN CCc1ccccc1N=NC1CCCCCC1 ZINC000915051770 641796352 /nfs/dbraw/zinc/79/63/52/641796352.db2.gz QUTUTYXLKYKRPP-UHFFFAOYSA-N 0 0 230.355 4.371 20 30 BIEDRN CCc1ccccc1N=NCC1CCCCC1 ZINC000915051801 641796676 /nfs/dbraw/zinc/79/66/76/641796676.db2.gz SIJMAEQNYWSTKG-UHFFFAOYSA-N 0 0 230.355 4.227 20 30 BIEDRN CCCCCCCCCC(=O)NCC1CCC1 ZINC000915073834 641798420 /nfs/dbraw/zinc/79/84/20/641798420.db2.gz MMRYTBRFSGNBAE-UHFFFAOYSA-N 0 0 239.403 4.043 20 30 BIEDRN CCCCCCCCC(=O)N(C)[C@@H](C)C(C)C ZINC000915080088 641800350 /nfs/dbraw/zinc/80/03/50/641800350.db2.gz PWRKKDADGHFNSQ-AWEZNQCLSA-N 0 0 241.419 4.240 20 30 BIEDRN CCCCCCCCC(=O)N(C)[C@H](C)C(C)C ZINC000915080089 641799736 /nfs/dbraw/zinc/79/97/36/641799736.db2.gz PWRKKDADGHFNSQ-CQSZACIVSA-N 0 0 241.419 4.240 20 30 BIEDRN CCCCCCCCC(=O)N(C)[C@@H](C)CCC ZINC000915097683 641800388 /nfs/dbraw/zinc/80/03/88/641800388.db2.gz LAPIQPFLZYWKAY-AWEZNQCLSA-N 0 0 241.419 4.384 20 30 BIEDRN CCCCCCCCC(=O)N(C)[C@H](C)CCC ZINC000915097684 641800356 /nfs/dbraw/zinc/80/03/56/641800356.db2.gz 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