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@@H](Nc1cccc(C)c1)c1ccccc1O ZINC000019877236 170915635 /nfs/dbraw/zinc/91/56/35/170915635.db2.gz MWQSGLUXBFZXLD-OAHLLOKOSA-N 0 0 241.334 4.264 20 10 BICDRN CC[C@H](Nc1cccc(C)c1)c1ccccc1O ZINC000019877237 171551490 /nfs/dbraw/zinc/55/14/90/171551490.db2.gz MWQSGLUXBFZXLD-HNNXBMFYSA-N 0 0 241.334 4.264 20 10 BICDRN Cc1ccc(N[C@@H](C)c2ccccc2O)c(C)c1 ZINC000019877414 178770435 /nfs/dbraw/zinc/77/04/35/178770435.db2.gz UAISMVYVKDTHKK-ZDUSSCGKSA-N 0 0 241.334 4.182 20 10 BICDRN C[C@@H](Nc1cccc(Cl)c1)c1ccccc1O ZINC000019920357 590044825 /nfs/dbraw/zinc/04/48/25/590044825.db2.gz JZPPVHPNISSIQY-SNVBAGLBSA-N 0 0 247.725 4.219 20 10 BICDRN C[C@H](Nc1cccc(Cl)c1)c1ccccc1O ZINC000019920359 590044655 /nfs/dbraw/zinc/04/46/55/590044655.db2.gz JZPPVHPNISSIQY-JTQLQIEISA-N 0 0 247.725 4.219 20 10 BICDRN CC[C@@H](Nc1cccc(F)c1)c1ccccc1O ZINC000019920867 590047716 /nfs/dbraw/zinc/04/77/16/590047716.db2.gz SPIJBKRLCBOGMC-CQSZACIVSA-N 0 0 245.297 4.095 20 10 BICDRN CC[C@H](Nc1cccc(F)c1)c1ccccc1O ZINC000019920869 590047928 /nfs/dbraw/zinc/04/79/28/590047928.db2.gz SPIJBKRLCBOGMC-AWEZNQCLSA-N 0 0 245.297 4.095 20 10 BICDRN C[C@@H](Nc1ccc(Cl)cc1)c1ccccc1O ZINC000019921106 590047732 /nfs/dbraw/zinc/04/77/32/590047732.db2.gz KBRNKHGQFNQIMC-SNVBAGLBSA-N 0 0 247.725 4.219 20 10 BICDRN C[C@H](Nc1ccc(Cl)cc1)c1ccccc1O ZINC000019921109 590047878 /nfs/dbraw/zinc/04/78/78/590047878.db2.gz KBRNKHGQFNQIMC-JTQLQIEISA-N 0 0 247.725 4.219 20 10 BICDRN CC[C@@H](Nc1ccc(F)cc1)c1ccccc1O ZINC000019942349 590051998 /nfs/dbraw/zinc/05/19/98/590051998.db2.gz XGOWNWQQWCXMRH-CQSZACIVSA-N 0 0 245.297 4.095 20 10 BICDRN CC[C@H](Nc1ccc(F)cc1)c1ccccc1O ZINC000019942353 590052653 /nfs/dbraw/zinc/05/26/53/590052653.db2.gz XGOWNWQQWCXMRH-AWEZNQCLSA-N 0 0 245.297 4.095 20 10 BICDRN Cc1ccc(F)cc1N[C@H](C)c1ccccc1O ZINC000019953363 178692547 /nfs/dbraw/zinc/69/25/47/178692547.db2.gz WGCFNTVDZXXDJX-LLVKDONJSA-N 0 0 245.297 4.013 20 10 BICDRN Cc1ccc(F)cc1N[C@@H](C)c1ccccc1O ZINC000019953368 178691127 /nfs/dbraw/zinc/69/11/27/178691127.db2.gz WGCFNTVDZXXDJX-NSHDSACASA-N 0 0 245.297 4.013 20 10 BICDRN CCc1ccc(N[C@@H](C)c2ccccc2O)cc1 ZINC000019955239 590055476 /nfs/dbraw/zinc/05/54/76/590055476.db2.gz ZZOGBPXBOWZLLT-LBPRGKRZSA-N 0 0 241.334 4.128 20 10 BICDRN CCc1ccc(N[C@H](C)c2ccccc2O)cc1 ZINC000019955243 590055046 /nfs/dbraw/zinc/05/50/46/590055046.db2.gz ZZOGBPXBOWZLLT-GFCCVEGCSA-N 0 0 241.334 4.128 20 10 BICDRN Cc1ccc(N[C@H](C)c2ccccc2O)cc1F ZINC000019955855 178776686 /nfs/dbraw/zinc/77/66/86/178776686.db2.gz POMTXSJMTSVZRC-LLVKDONJSA-N 0 0 245.297 4.013 20 10 BICDRN Cc1ccc(N[C@@H](C)c2ccccc2O)cc1F ZINC000019955859 590055248 /nfs/dbraw/zinc/05/52/48/590055248.db2.gz POMTXSJMTSVZRC-NSHDSACASA-N 0 0 245.297 4.013 20 10 BICDRN CCc1ccccc1N[C@@H](C)c1ccccc1O ZINC000019956514 590055013 /nfs/dbraw/zinc/05/50/13/590055013.db2.gz DCFOLMJHVAGYIX-LBPRGKRZSA-N 0 0 241.334 4.128 20 10 BICDRN CCc1ccccc1N[C@H](C)c1ccccc1O ZINC000019956518 590055080 /nfs/dbraw/zinc/05/50/80/590055080.db2.gz DCFOLMJHVAGYIX-GFCCVEGCSA-N 0 0 241.334 4.128 20 10 BICDRN Cc1cc(F)ccc1N[C@H](C)c1ccccc1O ZINC000019961132 178091031 /nfs/dbraw/zinc/09/10/31/178091031.db2.gz FEOXRHUQEWFHHZ-LLVKDONJSA-N 0 0 245.297 4.013 20 10 BICDRN Cc1cc(F)ccc1N[C@@H](C)c1ccccc1O ZINC000019961136 178091125 /nfs/dbraw/zinc/09/11/25/178091125.db2.gz FEOXRHUQEWFHHZ-NSHDSACASA-N 0 0 245.297 4.013 20 10 BICDRN CCc1cccc(N[C@@H](C)c2ccccc2O)c1 ZINC000019962150 171863388 /nfs/dbraw/zinc/86/33/88/171863388.db2.gz DTHORMATDRQYRK-LBPRGKRZSA-N 0 0 241.334 4.128 20 10 BICDRN CCc1cccc(N[C@H](C)c2ccccc2O)c1 ZINC000019962152 590058868 /nfs/dbraw/zinc/05/88/68/590058868.db2.gz DTHORMATDRQYRK-GFCCVEGCSA-N 0 0 241.334 4.128 20 10 BICDRN Cc1cccc(N[C@H](C)c2ccccc2O)c1C ZINC000019964265 179155876 /nfs/dbraw/zinc/15/58/76/179155876.db2.gz CUEPBKIPQZZATQ-CYBMUJFWSA-N 0 0 241.334 4.182 20 10 BICDRN Cc1cccc(N[C@@H](C)c2ccccc2O)c1C ZINC000019964266 179153731 /nfs/dbraw/zinc/15/37/31/179153731.db2.gz CUEPBKIPQZZATQ-ZDUSSCGKSA-N 0 0 241.334 4.182 20 10 BICDRN CC[C@@H](Nc1ccc(C)cc1)c1ccccc1O ZINC000019964499 590059849 /nfs/dbraw/zinc/05/98/49/590059849.db2.gz ZEDPCLZNKQBXBH-OAHLLOKOSA-N 0 0 241.334 4.264 20 10 BICDRN CC[C@H](Nc1ccc(C)cc1)c1ccccc1O ZINC000019964500 590059815 /nfs/dbraw/zinc/05/98/15/590059815.db2.gz ZEDPCLZNKQBXBH-HNNXBMFYSA-N 0 0 241.334 4.264 20 10 BICDRN Cc1ccc(C)c(N[C@H](C)c2ccccc2O)c1 ZINC000019964606 590059656 /nfs/dbraw/zinc/05/96/56/590059656.db2.gz NRMCRHDSBGJRLH-CYBMUJFWSA-N 0 0 241.334 4.182 20 10 BICDRN Cc1ccc(C)c(N[C@@H](C)c2ccccc2O)c1 ZINC000019964607 590059884 /nfs/dbraw/zinc/05/98/84/590059884.db2.gz NRMCRHDSBGJRLH-ZDUSSCGKSA-N 0 0 241.334 4.182 20 10 BICDRN Cc1cccc(N[C@H](C)c2ccc(C)cc2O)c1 ZINC000020085231 590071805 /nfs/dbraw/zinc/07/18/05/590071805.db2.gz QLJORTHQBGLHFW-CYBMUJFWSA-N 0 0 241.334 4.182 20 10 BICDRN Cc1cccc(N[C@@H](C)c2ccc(C)cc2O)c1 ZINC000020085232 590072435 /nfs/dbraw/zinc/07/24/35/590072435.db2.gz QLJORTHQBGLHFW-ZDUSSCGKSA-N 0 0 241.334 4.182 20 10 BICDRN Cc1ccc([C@@H](C)Nc2cccc(F)c2)c(O)c1 ZINC000020089962 178850998 /nfs/dbraw/zinc/85/09/98/178850998.db2.gz OZBJHEMMLMFYAV-LLVKDONJSA-N 0 0 245.297 4.013 20 10 BICDRN Cc1ccc([C@H](C)Nc2cccc(F)c2)c(O)c1 ZINC000020089964 178900827 /nfs/dbraw/zinc/90/08/27/178900827.db2.gz OZBJHEMMLMFYAV-NSHDSACASA-N 0 0 245.297 4.013 20 10 BICDRN Cc1ccc([C@@H](C)Nc2ccc(F)cc2)c(O)c1 ZINC000020090459 590073402 /nfs/dbraw/zinc/07/34/02/590073402.db2.gz CNTBESMPPXREKW-LLVKDONJSA-N 0 0 245.297 4.013 20 10 BICDRN Cc1ccc([C@H](C)Nc2ccc(F)cc2)c(O)c1 ZINC000020090461 590072906 /nfs/dbraw/zinc/07/29/06/590072906.db2.gz CNTBESMPPXREKW-NSHDSACASA-N 0 0 245.297 4.013 20 10 BICDRN Cc1ccc(N[C@H](C)c2ccc(C)cc2O)cc1 ZINC000020092767 590073058 /nfs/dbraw/zinc/07/30/58/590073058.db2.gz KKORHOZZBDYKNU-CYBMUJFWSA-N 0 0 241.334 4.182 20 10 BICDRN Cc1ccc(N[C@@H](C)c2ccc(C)cc2O)cc1 ZINC000020092769 590073229 /nfs/dbraw/zinc/07/32/29/590073229.db2.gz KKORHOZZBDYKNU-ZDUSSCGKSA-N 0 0 241.334 4.182 20 10 BICDRN Cc1ccc(N[C@H](C)c2ccccc2O)c(F)c1 ZINC000020372010 590104644 /nfs/dbraw/zinc/10/46/44/590104644.db2.gz NPBMGGOSONKGQX-LLVKDONJSA-N 0 0 245.297 4.013 20 10 BICDRN Cc1ccc(N[C@@H](C)c2ccccc2O)c(F)c1 ZINC000020372014 590104480 /nfs/dbraw/zinc/10/44/80/590104480.db2.gz NPBMGGOSONKGQX-NSHDSACASA-N 0 0 245.297 4.013 20 10 BICDRN Cc1ccc(F)c(N[C@H](C)c2ccccc2O)c1 ZINC000020471767 590115817 /nfs/dbraw/zinc/11/58/17/590115817.db2.gz SFYIHGCNIZFLPM-LLVKDONJSA-N 0 0 245.297 4.013 20 10 BICDRN Cc1ccc(F)c(N[C@@H](C)c2ccccc2O)c1 ZINC000020471768 590115686 /nfs/dbraw/zinc/11/56/86/590115686.db2.gz SFYIHGCNIZFLPM-NSHDSACASA-N 0 0 245.297 4.013 20 10 BICDRN Cc1cccc(N[C@@H](C)c2cc(C)ccc2O)c1 ZINC000035628455 179153290 /nfs/dbraw/zinc/15/32/90/179153290.db2.gz LQVVSCPLDHYAKK-ZDUSSCGKSA-N 0 0 241.334 4.182 20 10 BICDRN Cc1cccc(N[C@H](C)c2cc(C)ccc2O)c1 ZINC000035628456 179155803 /nfs/dbraw/zinc/15/58/03/179155803.db2.gz LQVVSCPLDHYAKK-CYBMUJFWSA-N 0 0 241.334 4.182 20 10 BICDRN Cc1ccc(O)c([C@@H](C)Nc2cccc(F)c2)c1 ZINC000035628645 178803832 /nfs/dbraw/zinc/80/38/32/178803832.db2.gz PFKUSJVNWMONDB-LLVKDONJSA-N 0 0 245.297 4.013 20 10 BICDRN Cc1ccc(O)c([C@H](C)Nc2cccc(F)c2)c1 ZINC000035628646 178804570 /nfs/dbraw/zinc/80/45/70/178804570.db2.gz PFKUSJVNWMONDB-NSHDSACASA-N 0 0 245.297 4.013 20 10 BICDRN Cc1ccc(O)c([C@@H](C)Nc2ccc(F)cc2)c1 ZINC000035628659 633838364 /nfs/dbraw/zinc/83/83/64/633838364.db2.gz SYCLOAAPZWUDFM-LLVKDONJSA-N 0 0 245.297 4.013 20 10 BICDRN Cc1ccc(O)c([C@H](C)Nc2ccc(F)cc2)c1 ZINC000035628660 633838054 /nfs/dbraw/zinc/83/80/54/633838054.db2.gz SYCLOAAPZWUDFM-NSHDSACASA-N 0 0 245.297 4.013 20 10 BICDRN Cc1ccc(N[C@@H](C)c2cc(C)ccc2O)cc1 ZINC000035628725 633839630 /nfs/dbraw/zinc/83/96/30/633839630.db2.gz SPTXWUJCTKRTEP-ZDUSSCGKSA-N 0 0 241.334 4.182 20 10 BICDRN Cc1ccc(N[C@H](C)c2cc(C)ccc2O)cc1 ZINC000035628726 633839952 /nfs/dbraw/zinc/83/99/52/633839952.db2.gz SPTXWUJCTKRTEP-CYBMUJFWSA-N 0 0 241.334 4.182 20 10 BICDRN Oc1ccccc1CNc1ccc2ccccc2c1 ZINC000036951936 183303826 /nfs/dbraw/zinc/30/38/26/183303826.db2.gz KAFSRFYYFINIBH-UHFFFAOYSA-N 0 0 249.313 4.158 20 10 BICDRN Cc1c(F)cccc1N[C@@H](C)c1ccccc1O ZINC000043319475 641561289 /nfs/dbraw/zinc/56/12/89/641561289.db2.gz NQSWRQPOAJICGE-NSHDSACASA-N 0 0 245.297 4.013 20 10 BICDRN Cc1c(F)cccc1N[C@H](C)c1ccccc1O ZINC000043319477 641562431 /nfs/dbraw/zinc/56/24/31/641562431.db2.gz NQSWRQPOAJICGE-LLVKDONJSA-N 0 0 245.297 4.013 20 10 BICDRN CC(C)c1ccc(CNc2ccc(N)cc2)cc1 ZINC000045042013 643550475 /nfs/dbraw/zinc/55/04/75/643550475.db2.gz OIDNODMLFDTGOK-UHFFFAOYSA-N 0 0 240.350 4.004 20 10 BICDRN CCNc1cc2oc3ccccc3c2cc1OC ZINC000058798452 711830737 /nfs/dbraw/zinc/83/07/37/711830737.db2.gz PPLUJPFLKVDVEG-UHFFFAOYSA-N 0 0 241.290 4.026 20 10 BICDRN Clc1ccc(CSc2nccs2)cc1 ZINC000060846345 635747250 /nfs/dbraw/zinc/74/72/50/635747250.db2.gz KOHVGZSBMCQDLR-UHFFFAOYSA-N 0 0 241.768 4.089 20 10 BICDRN Cc1cc(N[C@@H](C)c2ccccc2O)ccc1F ZINC000061117671 640927099 /nfs/dbraw/zinc/92/70/99/640927099.db2.gz DSXMQTZTEOXCDH-NSHDSACASA-N 0 0 245.297 4.013 20 10 BICDRN Cc1cc(N[C@H](C)c2ccccc2O)ccc1F ZINC000061117672 640927449 /nfs/dbraw/zinc/92/74/49/640927449.db2.gz DSXMQTZTEOXCDH-LLVKDONJSA-N 0 0 245.297 4.013 20 10 BICDRN Cc1cccc(N[C@@H](C)c2ccc(F)cc2O)c1 ZINC000062744680 641085224 /nfs/dbraw/zinc/08/52/24/641085224.db2.gz FLYVXSLEDVFMLR-NSHDSACASA-N 0 0 245.297 4.013 20 10 BICDRN Cc1cccc(N[C@H](C)c2ccc(F)cc2O)c1 ZINC000062744681 641083617 /nfs/dbraw/zinc/08/36/17/641083617.db2.gz FLYVXSLEDVFMLR-LLVKDONJSA-N 0 0 245.297 4.013 20 10 BICDRN Cc1ccc(N[C@@H](C)c2ccc(F)cc2O)cc1 ZINC000062744946 641087287 /nfs/dbraw/zinc/08/72/87/641087287.db2.gz HULAPTPHGWUDFY-NSHDSACASA-N 0 0 245.297 4.013 20 10 BICDRN Cc1ccc(N[C@H](C)c2ccc(F)cc2O)cc1 ZINC000062744947 641086625 /nfs/dbraw/zinc/08/66/25/641086625.db2.gz HULAPTPHGWUDFY-LLVKDONJSA-N 0 0 245.297 4.013 20 10 BICDRN Clc1ccccc1CSc1nccs1 ZINC000064660823 642687862 /nfs/dbraw/zinc/68/78/62/642687862.db2.gz QFGYWJNVPOPQGP-UHFFFAOYSA-N 0 0 241.768 4.089 20 10 BICDRN Clc1cnc(SCc2ccccc2)s1 ZINC000090495248 644594944 /nfs/dbraw/zinc/59/49/44/644594944.db2.gz FIIRXQQTCFRTSS-UHFFFAOYSA-N 0 0 241.768 4.089 20 10 BICDRN Cc1cc(F)cc(N[C@@H](C)c2ccccc2O)c1 ZINC000091509419 644627655 /nfs/dbraw/zinc/62/76/55/644627655.db2.gz SBEYICPAHGPSTF-NSHDSACASA-N 0 0 245.297 4.013 20 10 BICDRN Cc1cc(F)cc(N[C@H](C)c2ccccc2O)c1 ZINC000091509421 644627618 /nfs/dbraw/zinc/62/76/18/644627618.db2.gz SBEYICPAHGPSTF-LLVKDONJSA-N 0 0 245.297 4.013 20 10 BICDRN Cc1cccc(N[C@@H](C)c2cc(F)ccc2O)c1 ZINC000094616539 644720602 /nfs/dbraw/zinc/72/06/02/644720602.db2.gz XLHYEVSPORYASR-NSHDSACASA-N 0 0 245.297 4.013 20 10 BICDRN Cc1cccc(N[C@H](C)c2cc(F)ccc2O)c1 ZINC000094616540 644720350 /nfs/dbraw/zinc/72/03/50/644720350.db2.gz XLHYEVSPORYASR-LLVKDONJSA-N 0 0 245.297 4.013 20 10 BICDRN Cc1ccc(N[C@@H](C)c2cc(F)ccc2O)cc1 ZINC000094616777 635375690 /nfs/dbraw/zinc/37/56/90/635375690.db2.gz AFKYEBLBZDYFME-NSHDSACASA-N 0 0 245.297 4.013 20 10 BICDRN Cc1ccc(N[C@H](C)c2cc(F)ccc2O)cc1 ZINC000094616778 635377010 /nfs/dbraw/zinc/37/70/10/635377010.db2.gz AFKYEBLBZDYFME-LLVKDONJSA-N 0 0 245.297 4.013 20 10 BICDRN CC(C)CSCCCSc1nccs1 ZINC000119190505 589248021 /nfs/dbraw/zinc/24/80/21/589248021.db2.gz UKWUHYMSPAKADC-UHFFFAOYSA-N 0 0 247.454 4.015 20 10 BICDRN Cc1ccccc1[C@@H](C)Sc1nccs1 ZINC000154644876 642169108 /nfs/dbraw/zinc/16/91/08/642169108.db2.gz YFHGRWXDOZXMFU-SNVBAGLBSA-N 0 0 235.377 4.305 20 10 BICDRN Cc1ccccc1[C@H](C)Sc1nccs1 ZINC000154645000 642168609 /nfs/dbraw/zinc/16/86/09/642168609.db2.gz YFHGRWXDOZXMFU-JTQLQIEISA-N 0 0 235.377 4.305 20 10 BICDRN CC[C@H](Nc1cscc1C)c1ccccc1O ZINC000157442837 641618475 /nfs/dbraw/zinc/61/84/75/641618475.db2.gz BZYHZLOQXBFTOP-LBPRGKRZSA-N 0 0 247.363 4.325 20 10 BICDRN CC[C@@H](Nc1cscc1C)c1ccccc1O ZINC000157442970 641619039 /nfs/dbraw/zinc/61/90/39/641619039.db2.gz BZYHZLOQXBFTOP-GFCCVEGCSA-N 0 0 247.363 4.325 20 10 BICDRN Cc1cccc(N[C@H](C)c2ccccc2O)c1F ZINC000183671498 633987135 /nfs/dbraw/zinc/98/71/35/633987135.db2.gz GZDNNUIFAHLCEB-LLVKDONJSA-N 0 0 245.297 4.013 20 10 BICDRN Cc1cc(CSc2nccs2)c(C)s1 ZINC000194324963 644314908 /nfs/dbraw/zinc/31/49/08/644314908.db2.gz OZDWZMCKULDXHR-UHFFFAOYSA-N 0 0 241.406 4.114 20 10 BICDRN Clc1ccsc1CSc1nccs1 ZINC000306258911 635961533 /nfs/dbraw/zinc/96/15/33/635961533.db2.gz SKHKAIXIGHGGAX-UHFFFAOYSA-N 0 0 247.797 4.150 20 10 BICDRN Clc1cnc(Sc2cccs2)s1 ZINC000306534562 643176293 /nfs/dbraw/zinc/17/62/93/643176293.db2.gz KWMVDSUDIGNIFK-UHFFFAOYSA-N 0 0 233.770 4.009 20 10 BICDRN Clc1ccc(CSc2nccs2)s1 ZINC000306630350 635971586 /nfs/dbraw/zinc/97/15/86/635971586.db2.gz MBGQWCYOWGHBEV-UHFFFAOYSA-N 0 0 247.797 4.150 20 10 BICDRN Clc1cnc(SC2CCCCC2)s1 ZINC000307295426 643431203 /nfs/dbraw/zinc/43/12/03/643431203.db2.gz PXFXDSCPLGZBSQ-UHFFFAOYSA-N 0 0 233.789 4.221 20 10 BICDRN C/C(=C/Cl)CSc1ncc(Cl)s1 ZINC000307702300 643582104 /nfs/dbraw/zinc/58/21/04/643582104.db2.gz TZAHNOBJOZSLPQ-DJWKRKHSSA-N 0 0 240.180 4.031 20 10 BICDRN CCC(CC)Sc1ncc(Cl)s1 ZINC000307978073 642362506 /nfs/dbraw/zinc/36/25/06/642362506.db2.gz MQSWEFXIXOYICX-UHFFFAOYSA-N 0 0 221.778 4.077 20 10 BICDRN CCC(C)(C)CCSc1nccs1 ZINC000308289047 631265574 /nfs/dbraw/zinc/26/55/74/631265574.db2.gz FXYAHGXHGMWQHQ-UHFFFAOYSA-N 0 0 215.387 4.062 20 10 BICDRN CCCC(CCC)Sc1nccs1 ZINC000308358976 631298989 /nfs/dbraw/zinc/29/89/89/631298989.db2.gz LMXABPUTIGKISV-UHFFFAOYSA-N 0 0 215.387 4.204 20 10 BICDRN Cc1cscc1N[C@H](C)c1ccc(C)cc1O ZINC000387272462 711042090 /nfs/dbraw/zinc/04/20/90/711042090.db2.gz DQCKKIZBYZDVMD-LLVKDONJSA-N 0 0 247.363 4.244 20 10 BICDRN Cc1cscc1N[C@@H](C)c1ccc(C)cc1O ZINC000387272463 711042749 /nfs/dbraw/zinc/04/27/49/711042749.db2.gz DQCKKIZBYZDVMD-NSHDSACASA-N 0 0 247.363 4.244 20 10 BICDRN Cc1cscc1N[C@H](C)c1cc(C)ccc1O ZINC000387347997 711788362 /nfs/dbraw/zinc/78/83/62/711788362.db2.gz RODOCPQXHMNKPX-LLVKDONJSA-N 0 0 247.363 4.244 20 10 BICDRN Cc1cscc1N[C@@H](C)c1cc(C)ccc1O ZINC000387347999 711042368 /nfs/dbraw/zinc/04/23/68/711042368.db2.gz RODOCPQXHMNKPX-NSHDSACASA-N 0 0 247.363 4.244 20 10 BICDRN CCc1ccc(CCSc2nccs2)cc1 ZINC000734367321 584961039 /nfs/dbraw/zinc/96/10/39/584961039.db2.gz HYYPNNPXJOVGSA-UHFFFAOYSA-N 0 0 249.404 4.040 20 10 BICDRN C[C@@H](CSc1nccs1)c1ccccc1 ZINC000734982588 584970597 /nfs/dbraw/zinc/97/05/97/584970597.db2.gz MXHDGLDNUFAJBT-JTQLQIEISA-N 0 0 235.377 4.039 20 10 BICDRN C[C@H](CSc1nccs1)c1ccccc1 ZINC000734982589 584970676 /nfs/dbraw/zinc/97/06/76/584970676.db2.gz MXHDGLDNUFAJBT-SNVBAGLBSA-N 0 0 235.377 4.039 20 10 BICDRN Cc1cccc(C)c1CSc1nccs1 ZINC000737398203 585031415 /nfs/dbraw/zinc/03/14/15/585031415.db2.gz NUOKYDGJAXKBBG-UHFFFAOYSA-N 0 0 235.377 4.052 20 10 BICDRN Cc1cccc([C@H](C)Sc2nccs2)c1 ZINC000742450824 585126470 /nfs/dbraw/zinc/12/64/70/585126470.db2.gz 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