smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Clc1ccc(C/C(=C/CN2CCCC2)c2ccccc2)cc1 ZINC000004474657 181111473 /nfs/dbraw/zinc/11/14/73/181111473.db2.gz WDYYVNNRTDZKAZ-UNOMPAQXSA-N 0 3 311.856 5.062 10 0 in-vitro DKAEHN CCCC[C@@H]1CC[C@]2(C)c3[nH]c4ccccc4c3CCCN2C1 ZINC000005421024 181241223 /nfs/dbraw/zinc/24/12/23/181241223.db2.gz GWOHHWQVHIKTIT-IIBYNOLFSA-N 0 3 310.485 5.232 10 0 DKAEHN CCCC[C@@H]1CC[C@@]2(C)c3[nH]c4ccccc4c3CCCN2C1 ZINC000005421031 181241583 /nfs/dbraw/zinc/24/15/83/181241583.db2.gz GWOHHWQVHIKTIT-IERDGZPVSA-N 0 3 310.485 5.232 10 0 DKAEHN CCCC[C@H]1CC[C@]2(C)c3[nH]c4ccccc4c3CCCN2C1 ZINC000005421281 181241261 /nfs/dbraw/zinc/24/12/61/181241261.db2.gz GWOHHWQVHIKTIT-HRAATJIYSA-N 0 3 310.485 5.232 10 0 DKAEHN CCCC[C@H]1CC[C@@]2(C)c3[nH]c4ccccc4c3CCCN2C1 ZINC000005421287 181241513 /nfs/dbraw/zinc/24/15/13/181241513.db2.gz GWOHHWQVHIKTIT-KKSFZXQISA-N 0 3 310.485 5.232 10 0 DKAEHN COc1ccc2nc(C)cc(Nc3cccc(Cl)c3C)c2c1 ZINC000005587577 181261380 /nfs/dbraw/zinc/26/13/80/181261380.db2.gz WIOVHKKJUYUETF-UHFFFAOYSA-N 0 3 312.800 5.257 10 0 DKAEHN COc1ccc2nc(C)cc(Nc3ccc(Cl)cc3C)c2c1 ZINC000005587655 181261113 /nfs/dbraw/zinc/26/11/13/181261113.db2.gz LMFFHXLDYSJZAP-UHFFFAOYSA-N 0 3 312.800 5.257 10 0 DKAEHN Cc1scc(CN(C)Cc2ccccc2)c1-c1ccc(C)cc1 ZINC000006895166 563898889 /nfs/dbraw/zinc/89/88/89/563898889.db2.gz HBOQKOHPPQDFBS-UHFFFAOYSA-N 0 3 321.489 5.664 10 0 DKAEHN CC(C)NCc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000010435794 563649143 /nfs/dbraw/zinc/64/91/43/563649143.db2.gz CIRREPDLBCZXLC-UHFFFAOYSA-N 0 3 324.251 5.070 10 0 DKAEHN CC(C)NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000010436020 563649267 /nfs/dbraw/zinc/64/92/67/563649267.db2.gz HQHHHLPEQPYJIN-UHFFFAOYSA-N 0 3 324.251 5.070 10 0 DKAEHN CC(C)NCc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000010436023 563649054 /nfs/dbraw/zinc/64/90/54/563649054.db2.gz VSECEAGXPXDWPE-UHFFFAOYSA-N 0 3 324.251 5.070 10 0 DKAEHN CCOc1c(Cl)cc(CN[C@@H](C)c2ccccc2)cc1Cl ZINC000010473936 563357575 /nfs/dbraw/zinc/35/75/75/563357575.db2.gz JDSZDXUGOLSNAU-LBPRGKRZSA-N 0 3 324.251 5.243 10 0 DKAEHN CCOc1c(Cl)cc(CN[C@H](C)c2ccccc2)cc1Cl ZINC000010473941 563357552 /nfs/dbraw/zinc/35/75/52/563357552.db2.gz JDSZDXUGOLSNAU-GFCCVEGCSA-N 0 3 324.251 5.243 10 0 DKAEHN c1ccc(COc2ccccc2CNCCC2=CCCCC2)cc1 ZINC000013723431 563387506 /nfs/dbraw/zinc/38/75/06/563387506.db2.gz SGNPEIYJBWSTLB-UHFFFAOYSA-N 0 3 321.464 5.246 10 0 DKAEHN Clc1ccc(-c2ccc(CNCCC3=CCCCC3)o2)cc1 ZINC000013723856 563387519 /nfs/dbraw/zinc/38/75/19/563387519.db2.gz AETOBNIQYODSQW-UHFFFAOYSA-N 0 3 315.844 5.580 10 0 DKAEHN Clc1cccc(-c2ccc(CNCCC3=CCCCC3)o2)c1 ZINC000013723862 563387392 /nfs/dbraw/zinc/38/73/92/563387392.db2.gz KDBLHNLMSVMWHU-UHFFFAOYSA-N 0 3 315.844 5.580 10 0 DKAEHN Clc1ccccc1-c1ccc(CNCCC2=CCCCC2)o1 ZINC000013723963 563387570 /nfs/dbraw/zinc/38/75/70/563387570.db2.gz XZUVGVUIQQDKSJ-UHFFFAOYSA-N 0 3 315.844 5.580 10 0 DKAEHN CC(C)CCNCc1cc(Cl)ccc1OCc1ccccc1 ZINC000013724280 563663263 /nfs/dbraw/zinc/66/32/63/563663263.db2.gz IMFKHCKNXSIGRF-UHFFFAOYSA-N 0 3 317.860 5.055 10 0 DKAEHN CC(C)CCNCc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000013724381 563387356 /nfs/dbraw/zinc/38/73/56/563387356.db2.gz DKKVNYOPDKHDLX-UHFFFAOYSA-N 0 3 312.240 5.389 10 0 DKAEHN CC(C)CCNCc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000013724387 563387362 /nfs/dbraw/zinc/38/73/62/563387362.db2.gz PDODBNTUMWQIIL-UHFFFAOYSA-N 0 3 312.240 5.389 10 0 DKAEHN CC(C)CCNCc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000013724401 181883937 /nfs/dbraw/zinc/88/39/37/181883937.db2.gz PDRJDVWZUZNEAB-UHFFFAOYSA-N 0 3 312.240 5.389 10 0 DKAEHN CC(C)CCNCc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000013724501 563388227 /nfs/dbraw/zinc/38/82/27/563388227.db2.gz IXLHDRYZDVDNKS-UHFFFAOYSA-N 0 3 311.347 5.101 10 0 DKAEHN CCC(C)(C)NCc1cc(Cl)ccc1OCc1ccccc1 ZINC000013724814 563387981 /nfs/dbraw/zinc/38/79/81/563387981.db2.gz LQCCVQVTZNBAPH-UHFFFAOYSA-N 0 3 317.860 5.197 10 0 DKAEHN C[C@@H](CCc1ccccc1)NCc1c(Cl)cccc1Cl ZINC000013725444 563662965 /nfs/dbraw/zinc/66/29/65/563662965.db2.gz PWYOZUGLDBBOAY-ZDUSSCGKSA-N 0 3 308.252 5.104 10 0 DKAEHN C[C@H](CCc1ccccc1)NCc1c(Cl)cccc1Cl ZINC000013725448 563663261 /nfs/dbraw/zinc/66/32/61/563663261.db2.gz PWYOZUGLDBBOAY-CYBMUJFWSA-N 0 3 308.252 5.104 10 0 DKAEHN C[C@@H](CCc1ccccc1)NCc1cccc(Cl)c1Cl ZINC000013726244 563663005 /nfs/dbraw/zinc/66/30/05/563663005.db2.gz WHYXGOSHKCUQGN-ZDUSSCGKSA-N 0 3 308.252 5.104 10 0 DKAEHN C[C@H](CCc1ccccc1)NCc1cccc(Cl)c1Cl ZINC000013726248 563662979 /nfs/dbraw/zinc/66/29/79/563662979.db2.gz WHYXGOSHKCUQGN-CYBMUJFWSA-N 0 3 308.252 5.104 10 0 DKAEHN Clc1ccc(C/C(=C\CN2CCCC2)c2ccccc2)cc1 ZINC000015848271 182021823 /nfs/dbraw/zinc/02/18/23/182021823.db2.gz WDYYVNNRTDZKAZ-XDHOZWIPSA-N 0 3 311.856 5.062 10 0 in-man DKAEHN Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(Cl)c(Cl)c2)cc1 ZINC000019230217 182109298 /nfs/dbraw/zinc/10/92/98/182109298.db2.gz FNQVEFRGOXQXIB-OLZOCXBDSA-N 0 3 308.252 5.714 10 0 DKAEHN Cc1ccc([C@H](C)N[C@@H](C)c2ccc(Cl)c(Cl)c2)cc1 ZINC000019230218 182108975 /nfs/dbraw/zinc/10/89/75/182108975.db2.gz FNQVEFRGOXQXIB-STQMWFEESA-N 0 3 308.252 5.714 10 0 DKAEHN Cc1ccc([C@@H](C)N[C@H](C)c2ccc(Cl)c(Cl)c2)cc1 ZINC000019230219 182109081 /nfs/dbraw/zinc/10/90/81/182109081.db2.gz FNQVEFRGOXQXIB-CHWSQXEVSA-N 0 3 308.252 5.714 10 0 DKAEHN Cc1ccc([C@H](C)N[C@H](C)c2ccc(Cl)c(Cl)c2)cc1 ZINC000019230221 182108994 /nfs/dbraw/zinc/10/89/94/182108994.db2.gz FNQVEFRGOXQXIB-QWHCGFSZSA-N 0 3 308.252 5.714 10 0 DKAEHN CC[C@@H](N[C@@H](C)c1ccccc1)c1ccc(Br)cc1 ZINC000019878515 182159866 /nfs/dbraw/zinc/15/98/66/182159866.db2.gz TUKMVGLAFBRQND-SUMWQHHRSA-N 0 3 318.258 5.251 10 0 DKAEHN CC[C@H](N[C@@H](C)c1ccccc1)c1ccc(Br)cc1 ZINC000019878517 182160033 /nfs/dbraw/zinc/16/00/33/182160033.db2.gz TUKMVGLAFBRQND-GUYCJALGSA-N 0 3 318.258 5.251 10 0 DKAEHN CC[C@@H](N[C@H](C)c1ccccc1)c1ccc(Br)cc1 ZINC000019878518 182160109 /nfs/dbraw/zinc/16/01/09/182160109.db2.gz TUKMVGLAFBRQND-CXAGYDPISA-N 0 3 318.258 5.251 10 0 DKAEHN CC[C@H](N[C@H](C)c1ccccc1)c1ccc(Br)cc1 ZINC000019878520 182160040 /nfs/dbraw/zinc/16/00/40/182160040.db2.gz TUKMVGLAFBRQND-DYVFJYSZSA-N 0 3 318.258 5.251 10 0 DKAEHN C[C@@H](N)c1c(F)cccc1Sc1cc(Cl)ccc1Cl ZINC000019979466 182173281 /nfs/dbraw/zinc/17/32/81/182173281.db2.gz MSTYGIAMXBLREG-MRVPVSSYSA-N 0 3 316.228 5.303 10 0 DKAEHN C[C@H](N)c1c(F)cccc1Sc1cc(Cl)ccc1Cl ZINC000019979469 182173147 /nfs/dbraw/zinc/17/31/47/182173147.db2.gz MSTYGIAMXBLREG-QMMMGPOBSA-N 0 3 316.228 5.303 10 0 DKAEHN CC(C)CCC[C@@H](C)N[C@@H](C)c1ccccc1Br ZINC000019979541 182173181 /nfs/dbraw/zinc/17/31/81/182173181.db2.gz QELGFWCXVDLMRD-KGLIPLIRSA-N 0 3 312.295 5.315 10 0 DKAEHN CC(C)CCC[C@H](C)N[C@@H](C)c1ccccc1Br ZINC000019979545 182172845 /nfs/dbraw/zinc/17/28/45/182172845.db2.gz QELGFWCXVDLMRD-KBPBESRZSA-N 0 3 312.295 5.315 10 0 DKAEHN CC(C)CCC[C@@H](C)N[C@H](C)c1ccccc1Br ZINC000019979549 182173074 /nfs/dbraw/zinc/17/30/74/182173074.db2.gz QELGFWCXVDLMRD-ZIAGYGMSSA-N 0 3 312.295 5.315 10 0 DKAEHN CC(C)CCC[C@H](C)N[C@H](C)c1ccccc1Br ZINC000019979553 182173019 /nfs/dbraw/zinc/17/30/19/182173019.db2.gz QELGFWCXVDLMRD-UONOGXRCSA-N 0 3 312.295 5.315 10 0 DKAEHN CCc1ccc([C@@H](NCc2ccccc2Cl)C(C)C)cc1 ZINC000019981638 182172966 /nfs/dbraw/zinc/17/29/66/182172966.db2.gz IRLQLUXMYSUBQX-IBGZPJMESA-N 0 3 301.861 5.389 10 0 DKAEHN CCc1ccc([C@H](NCc2ccccc2Cl)C(C)C)cc1 ZINC000019981642 182173112 /nfs/dbraw/zinc/17/31/12/182173112.db2.gz IRLQLUXMYSUBQX-LJQANCHMSA-N 0 3 301.861 5.389 10 0 DKAEHN CCc1ccc([C@@H](NCc2ccc(Cl)cc2)C(C)C)cc1 ZINC000019989461 182174339 /nfs/dbraw/zinc/17/43/39/182174339.db2.gz FEYHCVGBLSYDFK-IBGZPJMESA-N 0 3 301.861 5.389 10 0 DKAEHN CCc1ccc([C@H](NCc2ccc(Cl)cc2)C(C)C)cc1 ZINC000019989465 182174328 /nfs/dbraw/zinc/17/43/28/182174328.db2.gz FEYHCVGBLSYDFK-LJQANCHMSA-N 0 3 301.861 5.389 10 0 DKAEHN CCC[C@@H](N[C@@H](C)c1ccccc1Cl)c1ccc(Cl)cc1 ZINC000020007105 182177267 /nfs/dbraw/zinc/17/72/67/182177267.db2.gz ZNIGRXXLAYXWEM-SCLBCKFNSA-N 0 3 322.279 6.185 10 0 DKAEHN CCC[C@H](N[C@@H](C)c1ccccc1Cl)c1ccc(Cl)cc1 ZINC000020007107 182176942 /nfs/dbraw/zinc/17/69/42/182176942.db2.gz ZNIGRXXLAYXWEM-UGSOOPFHSA-N 0 3 322.279 6.185 10 0 DKAEHN CCC[C@@H](N[C@H](C)c1ccccc1Cl)c1ccc(Cl)cc1 ZINC000020007110 182176753 /nfs/dbraw/zinc/17/67/53/182176753.db2.gz ZNIGRXXLAYXWEM-FZKQIMNGSA-N 0 3 322.279 6.185 10 0 DKAEHN CCC[C@H](N[C@H](C)c1ccccc1Cl)c1ccc(Cl)cc1 ZINC000020007113 182177000 /nfs/dbraw/zinc/17/70/00/182177000.db2.gz ZNIGRXXLAYXWEM-ACJLOTCBSA-N 0 3 322.279 6.185 10 0 DKAEHN Cc1cc(C)c([C@H](C)N[C@H](C)c2ccc(Cl)cc2)cc1C ZINC000020009146 182176827 /nfs/dbraw/zinc/17/68/27/182176827.db2.gz YBPHLUIOQIAOFN-CVEARBPZSA-N 0 3 301.861 5.677 10 0 DKAEHN Cc1cc(C)c([C@H](C)N[C@@H](C)c2ccc(Cl)cc2)cc1C ZINC000020009149 182176862 /nfs/dbraw/zinc/17/68/62/182176862.db2.gz YBPHLUIOQIAOFN-HOTGVXAUSA-N 0 3 301.861 5.677 10 0 DKAEHN Cc1cc(C)c([C@@H](C)N[C@H](C)c2ccc(Cl)cc2)cc1C ZINC000020009151 182176725 /nfs/dbraw/zinc/17/67/25/182176725.db2.gz YBPHLUIOQIAOFN-HZPDHXFCSA-N 0 3 301.861 5.677 10 0 DKAEHN Cc1cc(C)c([C@@H](C)N[C@@H](C)c2ccc(Cl)cc2)cc1C ZINC000020009154 182177134 /nfs/dbraw/zinc/17/71/34/182177134.db2.gz YBPHLUIOQIAOFN-JKSUJKDBSA-N 0 3 301.861 5.677 10 0 DKAEHN Cc1cc(C)c([C@H](C)N[C@H](C)c2ccccc2Cl)cc1C ZINC000020010239 182176742 /nfs/dbraw/zinc/17/67/42/182176742.db2.gz GUKWKVPMOFOUHC-CVEARBPZSA-N 0 3 301.861 5.677 10 0 DKAEHN Cc1cc(C)c([C@H](C)N[C@@H](C)c2ccccc2Cl)cc1C ZINC000020010242 182176781 /nfs/dbraw/zinc/17/67/81/182176781.db2.gz GUKWKVPMOFOUHC-HOTGVXAUSA-N 0 3 301.861 5.677 10 0 DKAEHN Cc1cc(C)c([C@@H](C)N[C@H](C)c2ccccc2Cl)cc1C ZINC000020010245 182176814 /nfs/dbraw/zinc/17/68/14/182176814.db2.gz GUKWKVPMOFOUHC-HZPDHXFCSA-N 0 3 301.861 5.677 10 0 DKAEHN Cc1cc(C)c([C@@H](C)N[C@@H](C)c2ccccc2Cl)cc1C ZINC000020010248 182177095 /nfs/dbraw/zinc/17/70/95/182177095.db2.gz GUKWKVPMOFOUHC-JKSUJKDBSA-N 0 3 301.861 5.677 10 0 DKAEHN C[C@@H](NCc1ccc(C(C)(C)C)cc1)c1ccc(Cl)cc1 ZINC000020011030 182178140 /nfs/dbraw/zinc/17/81/40/182178140.db2.gz WSODKDYUXZUERY-CQSZACIVSA-N 0 3 301.861 5.488 10 0 DKAEHN C[C@H](NCc1ccc(C(C)(C)C)cc1)c1ccc(Cl)cc1 ZINC000020011034 182178038 /nfs/dbraw/zinc/17/80/38/182178038.db2.gz WSODKDYUXZUERY-AWEZNQCLSA-N 0 3 301.861 5.488 10 0 DKAEHN C[C@@H](NCc1cccc(C(F)(F)F)c1)c1cccc(Cl)c1 ZINC000020012366 182177570 /nfs/dbraw/zinc/17/75/70/182177570.db2.gz KAZSXOIDRPQRSL-LLVKDONJSA-N 0 3 313.750 5.210 10 0 DKAEHN C[C@H](NCc1cccc(C(F)(F)F)c1)c1cccc(Cl)c1 ZINC000020012369 182177748 /nfs/dbraw/zinc/17/77/48/182177748.db2.gz KAZSXOIDRPQRSL-NSHDSACASA-N 0 3 313.750 5.210 10 0 DKAEHN CC(C)C[C@@H](N[C@@H](C)c1ccccc1Cl)c1ccccc1 ZINC000020012827 182178103 /nfs/dbraw/zinc/17/81/03/182178103.db2.gz UDYJTIHBIJTBSZ-HNAYVOBHSA-N 0 3 301.861 5.778 10 0 DKAEHN CC(C)C[C@H](N[C@@H](C)c1ccccc1Cl)c1ccccc1 ZINC000020012830 182178152 /nfs/dbraw/zinc/17/81/52/182178152.db2.gz UDYJTIHBIJTBSZ-KXBFYZLASA-N 0 3 301.861 5.778 10 0 DKAEHN CC(C)C[C@@H](N[C@H](C)c1ccccc1Cl)c1ccccc1 ZINC000020012833 182177653 /nfs/dbraw/zinc/17/76/53/182177653.db2.gz UDYJTIHBIJTBSZ-DNVCBOLYSA-N 0 3 301.861 5.778 10 0 DKAEHN CC(C)C[C@H](N[C@H](C)c1ccccc1Cl)c1ccccc1 ZINC000020012836 182178111 /nfs/dbraw/zinc/17/81/11/182178111.db2.gz UDYJTIHBIJTBSZ-BEFAXECRSA-N 0 3 301.861 5.778 10 0 DKAEHN C[C@@H](NCCCc1ccccc1)c1ccc(Cl)cc1Cl ZINC000020014594 182178485 /nfs/dbraw/zinc/17/84/85/182178485.db2.gz CJKSAEJGCXWRTL-CYBMUJFWSA-N 0 3 308.252 5.277 10 0 DKAEHN C[C@H](NCCCc1ccccc1)c1ccc(Cl)cc1Cl ZINC000020014597 182178469 /nfs/dbraw/zinc/17/84/69/182178469.db2.gz CJKSAEJGCXWRTL-ZDUSSCGKSA-N 0 3 308.252 5.277 10 0 DKAEHN CC[C@@H](N[C@@H](C)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000020020790 182179502 /nfs/dbraw/zinc/17/95/02/182179502.db2.gz FGXJRNXZDTWSQL-YVEFUNNKSA-N 0 3 308.252 5.795 10 0 DKAEHN CC[C@H](N[C@@H](C)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000020020793 182179650 /nfs/dbraw/zinc/17/96/50/182179650.db2.gz FGXJRNXZDTWSQL-SJCJKPOMSA-N 0 3 308.252 5.795 10 0 DKAEHN CC[C@@H](N[C@H](C)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000020020796 182179854 /nfs/dbraw/zinc/17/98/54/182179854.db2.gz FGXJRNXZDTWSQL-SJKOYZFVSA-N 0 3 308.252 5.795 10 0 DKAEHN CC[C@H](N[C@H](C)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000020020799 182179452 /nfs/dbraw/zinc/17/94/52/182179452.db2.gz FGXJRNXZDTWSQL-PXAZEXFGSA-N 0 3 308.252 5.795 10 0 DKAEHN C[C@@H](NCCc1ccc(F)cc1)c1ccc(Cl)cc1Cl ZINC000020020925 182179495 /nfs/dbraw/zinc/17/94/95/182179495.db2.gz CBFBUACSACXOME-LLVKDONJSA-N 0 3 312.215 5.026 10 0 DKAEHN C[C@H](NCCc1ccc(F)cc1)c1ccc(Cl)cc1Cl ZINC000020020927 182179986 /nfs/dbraw/zinc/17/99/86/182179986.db2.gz CBFBUACSACXOME-NSHDSACASA-N 0 3 312.215 5.026 10 0 DKAEHN C[C@@H](NC1CCCCCCC1)c1ccccc1Br ZINC000020024645 182180435 /nfs/dbraw/zinc/18/04/35/182180435.db2.gz XTOJMKPGEHKFNY-CYBMUJFWSA-N 0 3 310.279 5.213 10 0 DKAEHN C[C@H](NC1CCCCCCC1)c1ccccc1Br ZINC000020024648 182180164 /nfs/dbraw/zinc/18/01/64/182180164.db2.gz XTOJMKPGEHKFNY-ZDUSSCGKSA-N 0 3 310.279 5.213 10 0 DKAEHN Cc1ccccc1[C@H](C)N[C@H](C)c1ccc(Br)cc1 ZINC000020126148 182190059 /nfs/dbraw/zinc/19/00/59/182190059.db2.gz QKLWRGHVLNDPFD-KGLIPLIRSA-N 0 3 318.258 5.169 10 0 DKAEHN Cc1ccccc1[C@H](C)N[C@@H](C)c1ccc(Br)cc1 ZINC000020126149 182190177 /nfs/dbraw/zinc/19/01/77/182190177.db2.gz QKLWRGHVLNDPFD-KBPBESRZSA-N 0 3 318.258 5.169 10 0 DKAEHN Cc1ccccc1[C@@H](C)N[C@H](C)c1ccc(Br)cc1 ZINC000020126150 182189671 /nfs/dbraw/zinc/18/96/71/182189671.db2.gz QKLWRGHVLNDPFD-ZIAGYGMSSA-N 0 3 318.258 5.169 10 0 DKAEHN Cc1ccccc1[C@@H](C)N[C@@H](C)c1ccc(Br)cc1 ZINC000020126151 182190138 /nfs/dbraw/zinc/19/01/38/182190138.db2.gz QKLWRGHVLNDPFD-UONOGXRCSA-N 0 3 318.258 5.169 10 0 DKAEHN Cc1ccccc1[C@H](C)N[C@H](C)c1cccc(Br)c1 ZINC000020126152 182189724 /nfs/dbraw/zinc/18/97/24/182189724.db2.gz NRIMXYZJWCEZNP-KGLIPLIRSA-N 0 3 318.258 5.169 10 0 DKAEHN Cc1ccccc1[C@H](C)N[C@@H](C)c1cccc(Br)c1 ZINC000020126153 182190287 /nfs/dbraw/zinc/19/02/87/182190287.db2.gz NRIMXYZJWCEZNP-KBPBESRZSA-N 0 3 318.258 5.169 10 0 DKAEHN Cc1ccccc1[C@@H](C)N[C@H](C)c1cccc(Br)c1 ZINC000020126154 182190252 /nfs/dbraw/zinc/19/02/52/182190252.db2.gz NRIMXYZJWCEZNP-ZIAGYGMSSA-N 0 3 318.258 5.169 10 0 DKAEHN Cc1ccccc1[C@@H](C)N[C@@H](C)c1cccc(Br)c1 ZINC000020126155 182190041 /nfs/dbraw/zinc/19/00/41/182190041.db2.gz NRIMXYZJWCEZNP-UONOGXRCSA-N 0 3 318.258 5.169 10 0 DKAEHN C[C@@H](N[C@@H](C)c1cccc(Br)c1)c1cccc(F)c1 ZINC000020147824 182192655 /nfs/dbraw/zinc/19/26/55/182192655.db2.gz YXVFQZQYPJDOND-NWDGAFQWSA-N 0 3 322.221 5.000 10 0 DKAEHN C[C@H](N[C@@H](C)c1cccc(Br)c1)c1cccc(F)c1 ZINC000020147825 182192545 /nfs/dbraw/zinc/19/25/45/182192545.db2.gz YXVFQZQYPJDOND-RYUDHWBXSA-N 0 3 322.221 5.000 10 0 DKAEHN C[C@@H](N[C@H](C)c1cccc(Br)c1)c1cccc(F)c1 ZINC000020147826 182192640 /nfs/dbraw/zinc/19/26/40/182192640.db2.gz YXVFQZQYPJDOND-VXGBXAGGSA-N 0 3 322.221 5.000 10 0 DKAEHN C[C@@H](N[C@@H](C)c1cccc(F)c1)c1cccc(Br)c1 ZINC000020147827 182192495 /nfs/dbraw/zinc/19/24/95/182192495.db2.gz YXVFQZQYPJDOND-NEPJUHHUSA-N 0 3 322.221 5.000 10 0 DKAEHN Cc1cc(CN[C@H](C)c2ccc(Cl)c(Cl)c2)cc(C)c1O ZINC000020305559 182205039 /nfs/dbraw/zinc/20/50/39/182205039.db2.gz IPHPGNAKVPSNSI-GFCCVEGCSA-N 0 3 324.251 5.167 10 0 DKAEHN Cc1cc(CN[C@@H](C)c2ccc(Cl)c(Cl)c2)cc(C)c1O ZINC000020305560 182205227 /nfs/dbraw/zinc/20/52/27/182205227.db2.gz IPHPGNAKVPSNSI-LBPRGKRZSA-N 0 3 324.251 5.167 10 0 DKAEHN C[C@@H](NCc1ccc(C(F)(F)F)cc1)c1cccc(Cl)c1 ZINC000020547788 333322133 /nfs/dbraw/zinc/32/21/33/333322133.db2.gz MBPWWOBBHCWCLM-LLVKDONJSA-N 0 3 313.750 5.210 10 0 DKAEHN C[C@H](NCc1ccc(C(F)(F)F)cc1)c1cccc(Cl)c1 ZINC000020547790 333362816 /nfs/dbraw/zinc/36/28/16/333362816.db2.gz MBPWWOBBHCWCLM-NSHDSACASA-N 0 3 313.750 5.210 10 0 DKAEHN C[C@@H](NCc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 ZINC000020548578 333322160 /nfs/dbraw/zinc/32/21/60/333322160.db2.gz HEPYTZPRSJQRRT-LLVKDONJSA-N 0 3 313.750 5.210 10 0 DKAEHN C[C@H](NCc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 ZINC000020548579 333322186 /nfs/dbraw/zinc/32/21/86/333322186.db2.gz HEPYTZPRSJQRRT-NSHDSACASA-N 0 3 313.750 5.210 10 0 DKAEHN C[C@@H](NCc1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC000020552517 333322886 /nfs/dbraw/zinc/32/28/86/333322886.db2.gz GIUOKLNWNKOSIT-SNVBAGLBSA-N 0 3 314.643 5.498 10 0 DKAEHN C[C@H](NCc1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC000020552518 333322836 /nfs/dbraw/zinc/32/28/36/333322836.db2.gz GIUOKLNWNKOSIT-JTQLQIEISA-N 0 3 314.643 5.498 10 0 DKAEHN CC[C@@H](C)c1ccc([C@@H](N)c2cccc(Br)c2)cc1 ZINC000020552716 182231040 /nfs/dbraw/zinc/23/10/40/182231040.db2.gz MQJBMUSGNLOMLH-SJKOYZFVSA-N 0 3 318.258 5.011 10 0 DKAEHN CC[C@H](C)c1ccc([C@@H](N)c2cccc(Br)c2)cc1 ZINC000020552717 182230732 /nfs/dbraw/zinc/23/07/32/182230732.db2.gz MQJBMUSGNLOMLH-YVEFUNNKSA-N 0 3 318.258 5.011 10 0 DKAEHN CC[C@@H](C)c1ccc([C@H](N)c2cccc(Br)c2)cc1 ZINC000020552718 182231022 /nfs/dbraw/zinc/23/10/22/182231022.db2.gz MQJBMUSGNLOMLH-PXAZEXFGSA-N 0 3 318.258 5.011 10 0 DKAEHN CC[C@H](C)c1ccc([C@H](N)c2cccc(Br)c2)cc1 ZINC000020552719 182230741 /nfs/dbraw/zinc/23/07/41/182230741.db2.gz MQJBMUSGNLOMLH-SJCJKPOMSA-N 0 3 318.258 5.011 10 0 DKAEHN CCOc1ccc(CN[C@@H](C)c2ccc(Cl)c(Cl)c2)cc1 ZINC000020557217 333323123 /nfs/dbraw/zinc/32/31/23/333323123.db2.gz CLBBBCNXXYEBLS-LBPRGKRZSA-N 0 3 324.251 5.243 10 0 DKAEHN CCOc1ccc(CN[C@H](C)c2ccc(Cl)c(Cl)c2)cc1 ZINC000020557218 333323170 /nfs/dbraw/zinc/32/31/70/333323170.db2.gz CLBBBCNXXYEBLS-GFCCVEGCSA-N 0 3 324.251 5.243 10 0 DKAEHN C[C@@H](N[C@@H]1CCc2ccccc21)c1ccc(Cl)c(Cl)c1 ZINC000020561755 333322789 /nfs/dbraw/zinc/32/27/89/333322789.db2.gz RVMYFVZTQJKTEM-PIGZYNQJSA-N 0 3 306.236 5.332 10 0 DKAEHN C[C@H](N[C@@H]1CCc2ccccc21)c1ccc(Cl)c(Cl)c1 ZINC000020561758 333322823 /nfs/dbraw/zinc/32/28/23/333322823.db2.gz RVMYFVZTQJKTEM-APPDUMDISA-N 0 3 306.236 5.332 10 0 DKAEHN C[C@@H](N[C@H]1CCc2ccccc21)c1ccc(Cl)c(Cl)c1 ZINC000020561761 333322920 /nfs/dbraw/zinc/32/29/20/333322920.db2.gz RVMYFVZTQJKTEM-DIFFPNOSSA-N 0 3 306.236 5.332 10 0 DKAEHN C[C@H](N[C@H]1CCc2ccccc21)c1ccc(Cl)c(Cl)c1 ZINC000020561764 333322889 /nfs/dbraw/zinc/32/28/89/333322889.db2.gz RVMYFVZTQJKTEM-GTNSWQLSSA-N 0 3 306.236 5.332 10 0 DKAEHN C[C@@H](N[C@@H](C)c1ccc(Cl)c(Cl)c1)c1cccc(F)c1 ZINC000020564927 333323548 /nfs/dbraw/zinc/32/35/48/333323548.db2.gz GIVQWTYWRLVPFZ-MNOVXSKESA-N 0 3 312.215 5.544 10 0 DKAEHN C[C@H](N[C@@H](C)c1ccc(Cl)c(Cl)c1)c1cccc(F)c1 ZINC000020564928 333323603 /nfs/dbraw/zinc/32/36/03/333323603.db2.gz GIVQWTYWRLVPFZ-QWRGUYRKSA-N 0 3 312.215 5.544 10 0 DKAEHN C[C@@H](N[C@H](C)c1ccc(Cl)c(Cl)c1)c1cccc(F)c1 ZINC000020564929 333323513 /nfs/dbraw/zinc/32/35/13/333323513.db2.gz GIVQWTYWRLVPFZ-GHMZBOCLSA-N 0 3 312.215 5.544 10 0 DKAEHN C[C@@H](N[C@@H](C)c1cccc(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000020564930 333323577 /nfs/dbraw/zinc/32/35/77/333323577.db2.gz GIVQWTYWRLVPFZ-WDEREUQCSA-N 0 3 312.215 5.544 10 0 DKAEHN N[C@H](c1csc2ccccc21)c1cccc(Cl)c1Cl ZINC000020596407 182236589 /nfs/dbraw/zinc/23/65/89/182236589.db2.gz YLMFCAJJJKIKSH-HNNXBMFYSA-N 0 3 308.233 5.256 10 0 DKAEHN N[C@@H](c1csc2ccccc21)c1cccc(Cl)c1Cl ZINC000020596408 182236371 /nfs/dbraw/zinc/23/63/71/182236371.db2.gz YLMFCAJJJKIKSH-OAHLLOKOSA-N 0 3 308.233 5.256 10 0 DKAEHN N[C@@H](c1csc2ccccc21)c1c(Cl)cccc1Cl ZINC000020596411 182236475 /nfs/dbraw/zinc/23/64/75/182236475.db2.gz VTPGEWPZQMWNBE-HNNXBMFYSA-N 0 3 308.233 5.256 10 0 DKAEHN N[C@H](c1csc2ccccc21)c1c(Cl)cccc1Cl ZINC000020596412 182236682 /nfs/dbraw/zinc/23/66/82/182236682.db2.gz VTPGEWPZQMWNBE-OAHLLOKOSA-N 0 3 308.233 5.256 10 0 DKAEHN N[C@H](c1csc2ccccc21)c1cc(Cl)ccc1Cl ZINC000020596419 182236442 /nfs/dbraw/zinc/23/64/42/182236442.db2.gz HFBHRVWRPWQJDQ-HNNXBMFYSA-N 0 3 308.233 5.256 10 0 DKAEHN N[C@@H](c1csc2ccccc21)c1cc(Cl)ccc1Cl ZINC000020596420 182236395 /nfs/dbraw/zinc/23/63/95/182236395.db2.gz HFBHRVWRPWQJDQ-OAHLLOKOSA-N 0 3 308.233 5.256 10 0 DKAEHN Cc1ccc(COc2ccc(Cl)cc2CNC(C)(C)C)cc1 ZINC000020875072 182251760 /nfs/dbraw/zinc/25/17/60/182251760.db2.gz AHPULNADORFNPO-UHFFFAOYSA-N 0 3 317.860 5.116 10 0 DKAEHN CCCCNCc1cc(Cl)ccc1OCc1ccc(C)cc1 ZINC000020875096 182251310 /nfs/dbraw/zinc/25/13/10/182251310.db2.gz BVCKNUNTRFPPHT-UHFFFAOYSA-N 0 3 317.860 5.117 10 0 DKAEHN CC[C@@H](C)NCc1cc(Cl)ccc1OCc1ccc(C)cc1 ZINC000020875132 182251482 /nfs/dbraw/zinc/25/14/82/182251482.db2.gz OPOGHUSFBHJVQK-OAHLLOKOSA-N 0 3 317.860 5.116 10 0 DKAEHN CC[C@H](C)NCc1cc(Cl)ccc1OCc1ccc(C)cc1 ZINC000020875134 182251797 /nfs/dbraw/zinc/25/17/97/182251797.db2.gz OPOGHUSFBHJVQK-HNNXBMFYSA-N 0 3 317.860 5.116 10 0 DKAEHN CCCCCCNCc1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000020876597 182251555 /nfs/dbraw/zinc/25/15/55/182251555.db2.gz PAXMGGXGCFMMTP-UHFFFAOYSA-N 0 3 305.849 5.578 10 0 DKAEHN CCCOc1c(Cl)cc(CNCc2ccccc2)cc1Cl ZINC000020926200 182254533 /nfs/dbraw/zinc/25/45/33/182254533.db2.gz XWYNPEVEJMXSBW-UHFFFAOYSA-N 0 3 324.251 5.072 10 0 DKAEHN CCCOc1c(Cl)cc(Cl)cc1CNC1CCCCC1 ZINC000020929993 182254733 /nfs/dbraw/zinc/25/47/33/182254733.db2.gz XCSCMLIFQIZRNF-UHFFFAOYSA-N 0 3 316.272 5.205 10 0 DKAEHN CCCCCNCc1cc(Cl)cc(Cl)c1OCCC ZINC000020930149 182254160 /nfs/dbraw/zinc/25/41/60/182254160.db2.gz WYLUTFOWZFPYGX-UHFFFAOYSA-N 0 3 304.261 5.062 10 0 DKAEHN CCCCCCNCc1cc(Cl)cc(Cl)c1OCCC ZINC000020930156 182254416 /nfs/dbraw/zinc/25/44/16/182254416.db2.gz KYBBQTDESATPLL-UHFFFAOYSA-N 0 3 318.288 5.452 10 0 DKAEHN CCCOc1c(Cl)cc(Cl)cc1CNC(C)(C)CC ZINC000020930418 182255376 /nfs/dbraw/zinc/25/53/76/182255376.db2.gz WISXUFLJCQVQPV-UHFFFAOYSA-N 0 3 304.261 5.060 10 0 DKAEHN CCCOc1ccc2ccccc2c1CN[C@@H](C)c1ccccc1 ZINC000020930512 182255045 /nfs/dbraw/zinc/25/50/45/182255045.db2.gz BMIMGFKUUTXHRY-KRWDZBQOSA-N 0 3 319.448 5.479 10 0 DKAEHN CCCOc1ccc2ccccc2c1CN[C@H](C)c1ccccc1 ZINC000020930518 182255176 /nfs/dbraw/zinc/25/51/76/182255176.db2.gz BMIMGFKUUTXHRY-QGZVFWFLSA-N 0 3 319.448 5.479 10 0 DKAEHN CCCOc1ccc2ccccc2c1CNCc1ccc(F)cc1 ZINC000020930685 182255401 /nfs/dbraw/zinc/25/54/01/182255401.db2.gz IVTXTXOSDNUUBL-UHFFFAOYSA-N 0 3 323.411 5.058 10 0 DKAEHN CCCOc1ccc2ccccc2c1CNCc1ccc(C)cc1 ZINC000020930750 182255258 /nfs/dbraw/zinc/25/52/58/182255258.db2.gz AZXDMBQRPUWRGK-UHFFFAOYSA-N 0 3 319.448 5.227 10 0 DKAEHN CCC[C@@H](NCc1cn(CC)c2ccccc12)c1ccccc1 ZINC000020935255 182255030 /nfs/dbraw/zinc/25/50/30/182255030.db2.gz RAOTXOWXLVMNGC-HXUWFJFHSA-N 0 3 306.453 5.292 10 0 DKAEHN CCC[C@H](NCc1cn(CC)c2ccccc12)c1ccccc1 ZINC000020935260 182255007 /nfs/dbraw/zinc/25/50/07/182255007.db2.gz RAOTXOWXLVMNGC-FQEVSTJZSA-N 0 3 306.453 5.292 10 0 DKAEHN CC(C)CCCCCCNCc1ccccc1Br ZINC000021011303 182260153 /nfs/dbraw/zinc/26/01/53/182260153.db2.gz CFIWZUVVROEGFV-UHFFFAOYSA-N 0 3 312.295 5.145 10 0 DKAEHN CC(C)COc1ccc([C@@H](C)N[C@@H](C)c2cccs2)cc1 ZINC000021037942 333412847 /nfs/dbraw/zinc/41/28/47/333412847.db2.gz SQTYECSBORCDOT-CABCVRRESA-N 0 3 303.471 5.195 10 0 DKAEHN CC(C)COc1ccc([C@H](C)N[C@@H](C)c2cccs2)cc1 ZINC000021037946 333412811 /nfs/dbraw/zinc/41/28/11/333412811.db2.gz SQTYECSBORCDOT-GJZGRUSLSA-N 0 3 303.471 5.195 10 0 DKAEHN CC(C)COc1ccc([C@H](C)N[C@H](C)c2cccs2)cc1 ZINC000021037954 333412790 /nfs/dbraw/zinc/41/27/90/333412790.db2.gz SQTYECSBORCDOT-LSDHHAIUSA-N 0 3 303.471 5.195 10 0 DKAEHN CC(C)CCCCCCNCc1cccc(Cl)c1Cl ZINC000021044537 182263261 /nfs/dbraw/zinc/26/32/61/182263261.db2.gz WHOAFPSFCLSDMF-UHFFFAOYSA-N 0 3 302.289 5.690 10 0 DKAEHN CC(C)CCC[C@@H](C)N[C@@H](C)c1cc(Cl)ccc1Cl ZINC000021503954 182275987 /nfs/dbraw/zinc/27/59/87/182275987.db2.gz SPUJRPGYKKJVTF-OLZOCXBDSA-N 0 3 302.289 5.859 10 0 DKAEHN CC(C)CCC[C@H](C)N[C@@H](C)c1cc(Cl)ccc1Cl ZINC000021503956 182275685 /nfs/dbraw/zinc/27/56/85/182275685.db2.gz SPUJRPGYKKJVTF-STQMWFEESA-N 0 3 302.289 5.859 10 0 DKAEHN CC(C)CCC[C@@H](C)N[C@H](C)c1cc(Cl)ccc1Cl ZINC000021503958 182276166 /nfs/dbraw/zinc/27/61/66/182276166.db2.gz SPUJRPGYKKJVTF-CHWSQXEVSA-N 0 3 302.289 5.859 10 0 DKAEHN CC(C)CCC[C@H](C)N[C@H](C)c1cc(Cl)ccc1Cl ZINC000021503960 182275940 /nfs/dbraw/zinc/27/59/40/182275940.db2.gz SPUJRPGYKKJVTF-QWHCGFSZSA-N 0 3 302.289 5.859 10 0 DKAEHN C[C@@H](N[C@@H](C)c1cccs1)c1ccc(Cl)c(Cl)c1 ZINC000021505359 182275837 /nfs/dbraw/zinc/27/58/37/182275837.db2.gz SAXUKOWGZRZLPM-ZJUUUORDSA-N 0 3 300.254 5.467 10 0 DKAEHN C[C@H](N[C@@H](C)c1ccc(Cl)c(Cl)c1)c1cccs1 ZINC000021505361 182276006 /nfs/dbraw/zinc/27/60/06/182276006.db2.gz SAXUKOWGZRZLPM-UWVGGRQHSA-N 0 3 300.254 5.467 10 0 DKAEHN C[C@@H](N[C@H](C)c1ccc(Cl)c(Cl)c1)c1cccs1 ZINC000021505362 182275575 /nfs/dbraw/zinc/27/55/75/182275575.db2.gz SAXUKOWGZRZLPM-NXEZZACHSA-N 0 3 300.254 5.467 10 0 DKAEHN C[C@@H](N[C@@H](C)c1ccc(Cl)c(Cl)c1)c1cccs1 ZINC000021505364 182276107 /nfs/dbraw/zinc/27/61/07/182276107.db2.gz SAXUKOWGZRZLPM-VHSXEESVSA-N 0 3 300.254 5.467 10 0 DKAEHN C[C@@H](N[C@H](C)c1ccc(OC(F)(F)F)cc1)c1cccs1 ZINC000021507481 333424187 /nfs/dbraw/zinc/42/41/87/333424187.db2.gz BIUFSKNASYXENO-GHMZBOCLSA-N 0 3 315.360 5.059 10 0 DKAEHN C[C@H](N[C@@H](C)c1ccc(F)c(Cl)c1)c1cccc(Cl)c1 ZINC000021794431 333451497 /nfs/dbraw/zinc/45/14/97/333451497.db2.gz MYMFLSWCSGBSNA-QWRGUYRKSA-N 0 3 312.215 5.544 10 0 DKAEHN C[C@@H](N[C@H](C)c1ccc(F)c(Cl)c1)c1cccc(Cl)c1 ZINC000021794433 333451535 /nfs/dbraw/zinc/45/15/35/333451535.db2.gz MYMFLSWCSGBSNA-GHMZBOCLSA-N 0 3 312.215 5.544 10 0 DKAEHN C[C@@H](N[C@@H](C)c1cccc(Cl)c1)c1ccc(F)c(Cl)c1 ZINC000021794437 333451540 /nfs/dbraw/zinc/45/15/40/333451540.db2.gz MYMFLSWCSGBSNA-WDEREUQCSA-N 0 3 312.215 5.544 10 0 DKAEHN CCC1CCC(N[C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000021801317 182290651 /nfs/dbraw/zinc/29/06/51/182290651.db2.gz WKYHIRRHWXKGFX-DCBWTQNWSA-N 0 3 300.273 5.613 10 0 DKAEHN CCC1CCC(N[C@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000021801319 182290570 /nfs/dbraw/zinc/29/05/70/182290570.db2.gz WKYHIRRHWXKGFX-LKSINWNRSA-N 0 3 300.273 5.613 10 0 DKAEHN C[C@@H](NCc1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 ZINC000021803981 182291507 /nfs/dbraw/zinc/29/15/07/182291507.db2.gz ULVBOVNYNWFWAB-SNVBAGLBSA-N 0 3 314.643 5.498 10 0 DKAEHN C[C@H](NCc1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 ZINC000021803984 182291079 /nfs/dbraw/zinc/29/10/79/182291079.db2.gz ULVBOVNYNWFWAB-JTQLQIEISA-N 0 3 314.643 5.498 10 0 DKAEHN C[C@@H](NCc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 ZINC000021813336 333454021 /nfs/dbraw/zinc/45/40/21/333454021.db2.gz BJVKRHLUTHBWKS-LLVKDONJSA-N 0 3 313.750 5.210 10 0 DKAEHN C[C@@H](N[C@@H](C)c1ccc(Cl)cc1)c1ccc(Cl)s1 ZINC000035056933 337741088 /nfs/dbraw/zinc/74/10/88/337741088.db2.gz OQKMNBFLIUUNMG-VHSXEESVSA-N 0 3 300.254 5.467 10 0 DKAEHN C[C@H](N[C@@H](C)c1cccc(Cl)c1)c1ccc(Cl)s1 ZINC000035056949 337741062 /nfs/dbraw/zinc/74/10/62/337741062.db2.gz KAIRLLYGVWBCFH-UWVGGRQHSA-N 0 3 300.254 5.467 10 0 DKAEHN C[C@@H](N[C@@H](C)c1cccc(Cl)c1)c1ccc(Cl)s1 ZINC000035056953 337741111 /nfs/dbraw/zinc/74/11/11/337741111.db2.gz KAIRLLYGVWBCFH-VHSXEESVSA-N 0 3 300.254 5.467 10 0 DKAEHN C[C@H](NCc1cccc(C(F)(F)F)c1)c1ccc(Cl)s1 ZINC000035232470 337742401 /nfs/dbraw/zinc/74/24/01/337742401.db2.gz IBYZZMDXORTSGY-VIFPVBQESA-N 0 3 319.779 5.271 10 0 DKAEHN C[C@H](NCc1ccccc1C(F)(F)F)c1ccc(Cl)s1 ZINC000035253452 337742063 /nfs/dbraw/zinc/74/20/63/337742063.db2.gz OTNHUYKDNLFBCW-VIFPVBQESA-N 0 3 319.779 5.271 10 0 DKAEHN C[C@@H](NCc1ccccc1C(F)(F)F)c1ccc(Cl)s1 ZINC000035253454 337741974 /nfs/dbraw/zinc/74/19/74/337741974.db2.gz OTNHUYKDNLFBCW-SECBINFHSA-N 0 3 319.779 5.271 10 0 DKAEHN C[C@H](NCc1ccc2ccccc2c1)c1ccc(Cl)s1 ZINC000035253539 331490768 /nfs/dbraw/zinc/49/07/68/331490768.db2.gz VPBDGHBDDPQXEC-LBPRGKRZSA-N 0 3 301.842 5.406 10 0 DKAEHN C[C@@H](NCc1ccc2ccccc2c1)c1ccc(Cl)s1 ZINC000035253541 337742053 /nfs/dbraw/zinc/74/20/53/337742053.db2.gz VPBDGHBDDPQXEC-GFCCVEGCSA-N 0 3 301.842 5.406 10 0 DKAEHN C[C@H](N)c1ccc(-c2cc(Cl)c(Cl)cc2Cl)s1 ZINC000036666935 182834448 /nfs/dbraw/zinc/83/44/48/182834448.db2.gz NJXQZANCUOYJAQ-LURJTMIESA-N 0 3 306.645 5.395 10 0 DKAEHN C[C@@H](N)c1ccc(-c2cc(Cl)c(Cl)cc2Cl)s1 ZINC000036666936 182834261 /nfs/dbraw/zinc/83/42/61/182834261.db2.gz NJXQZANCUOYJAQ-ZCFIWIBFSA-N 0 3 306.645 5.395 10 0 DKAEHN CCCNCc1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1 ZINC000036819261 182845840 /nfs/dbraw/zinc/84/58/40/182845840.db2.gz QMVJITFQCKAKFP-UHFFFAOYSA-N 0 3 318.631 5.406 10 0 DKAEHN CC[C@H](N[C@@H](C)c1cccc(Br)c1)c1cccs1 ZINC000036919666 337794188 /nfs/dbraw/zinc/79/41/88/337794188.db2.gz ZHJUDMRQAHMACH-FZMZJTMJSA-N 0 3 324.287 5.313 10 0 DKAEHN CC[C@@H](N[C@@H](C)c1cccc(Br)c1)c1cccs1 ZINC000036919667 337794137 /nfs/dbraw/zinc/79/41/37/337794137.db2.gz ZHJUDMRQAHMACH-SMDDNHRTSA-N 0 3 324.287 5.313 10 0 DKAEHN CC[C@@H](N[C@H](C)c1cccc(Br)c1)c1cccs1 ZINC000036919669 337794167 /nfs/dbraw/zinc/79/41/67/337794167.db2.gz ZHJUDMRQAHMACH-BXUZGUMPSA-N 0 3 324.287 5.313 10 0 DKAEHN CC[C@H](N[C@@H](C)c1cccc(Br)c1)c1ccccc1 ZINC000036919982 337794205 /nfs/dbraw/zinc/79/42/05/337794205.db2.gz ZHMBMVOWTIQNGS-GUYCJALGSA-N 0 3 318.258 5.251 10 0 DKAEHN CC[C@@H](N[C@@H](C)c1cccc(Br)c1)c1ccccc1 ZINC000036919983 337794148 /nfs/dbraw/zinc/79/41/48/337794148.db2.gz ZHMBMVOWTIQNGS-SUMWQHHRSA-N 0 3 318.258 5.251 10 0 DKAEHN CC[C@H](N[C@H](C)c1cccc(Br)c1)c1ccccc1 ZINC000036919984 337794165 /nfs/dbraw/zinc/79/41/65/337794165.db2.gz ZHMBMVOWTIQNGS-DYVFJYSZSA-N 0 3 318.258 5.251 10 0 DKAEHN CC[C@@H](N[C@H](C)c1cccc(Br)c1)c1ccccc1 ZINC000036919985 337794139 /nfs/dbraw/zinc/79/41/39/337794139.db2.gz ZHMBMVOWTIQNGS-CXAGYDPISA-N 0 3 318.258 5.251 10 0 DKAEHN CC[C@@H](N)c1ccc(-c2c(Cl)cc(Cl)cc2Cl)s1 ZINC000036927898 182853334 /nfs/dbraw/zinc/85/33/34/182853334.db2.gz ZNGZEJPGGBYOLZ-SNVBAGLBSA-N 0 3 320.672 5.785 10 0 DKAEHN COc1ccc2c(c1)CCC[C@H]2N[C@@H](C)c1ccc(Cl)s1 ZINC000036992223 340729414 /nfs/dbraw/zinc/72/94/14/340729414.db2.gz KNGTZHDWYYIWKD-XHDPSFHLSA-N 0 3 321.873 5.138 10 0 DKAEHN COc1ccc2c(c1)CCC[C@H]2N[C@H](C)c1ccc(Cl)s1 ZINC000036992224 340729522 /nfs/dbraw/zinc/72/95/22/340729522.db2.gz KNGTZHDWYYIWKD-IAQYHMDHSA-N 0 3 321.873 5.138 10 0 DKAEHN COc1ccc2c(c1)CCC[C@@H]2N[C@@H](C)c1ccc(Cl)s1 ZINC000036992225 340729419 /nfs/dbraw/zinc/72/94/19/340729419.db2.gz KNGTZHDWYYIWKD-NHYWBVRUSA-N 0 3 321.873 5.138 10 0 DKAEHN COc1ccc2c(c1)CCC[C@@H]2N[C@H](C)c1ccc(Cl)s1 ZINC000036992226 340729491 /nfs/dbraw/zinc/72/94/91/340729491.db2.gz KNGTZHDWYYIWKD-ABAIWWIYSA-N 0 3 321.873 5.138 10 0 DKAEHN CC[C@H](N[C@H](C)c1cccs1)c1cccc(Br)c1 ZINC000037235251 340778842 /nfs/dbraw/zinc/77/88/42/340778842.db2.gz ATAYQFCTHOVJHD-RISCZKNCSA-N 0 3 324.287 5.313 10 0 DKAEHN Cc1nc(C(C)(C)C)sc1[C@@H](C)N[C@@H](C)c1cccs1 ZINC000037235503 340778829 /nfs/dbraw/zinc/77/88/29/340778829.db2.gz VFAOSCQRPOPBCP-WDEREUQCSA-N 0 3 308.516 5.222 10 0 DKAEHN Cc1nc(C(C)(C)C)sc1[C@H](C)N[C@@H](C)c1cccs1 ZINC000037235505 340778831 /nfs/dbraw/zinc/77/88/31/340778831.db2.gz VFAOSCQRPOPBCP-QWRGUYRKSA-N 0 3 308.516 5.222 10 0 DKAEHN Cc1nc(C(C)(C)C)sc1[C@H](C)N[C@H](C)c1cccs1 ZINC000037235509 340778851 /nfs/dbraw/zinc/77/88/51/340778851.db2.gz VFAOSCQRPOPBCP-MNOVXSKESA-N 0 3 308.516 5.222 10 0 DKAEHN Cc1cccc([C@@H](C)N[C@@H](C)c2cccc(Br)c2)c1 ZINC000037271368 340782481 /nfs/dbraw/zinc/78/24/81/340782481.db2.gz OAHUFOGXLNOBAR-KGLIPLIRSA-N 0 3 318.258 5.169 10 0 DKAEHN Cc1cccc([C@@H](C)N[C@H](C)c2cccc(Br)c2)c1 ZINC000037271372 340782443 /nfs/dbraw/zinc/78/24/43/340782443.db2.gz OAHUFOGXLNOBAR-ZIAGYGMSSA-N 0 3 318.258 5.169 10 0 DKAEHN Cc1cccc([C@H](C)N[C@H](C)c2cccc(Br)c2)c1 ZINC000037271375 340782504 /nfs/dbraw/zinc/78/25/04/340782504.db2.gz OAHUFOGXLNOBAR-UONOGXRCSA-N 0 3 318.258 5.169 10 0 DKAEHN C[C@H](NC1CCC(C(F)(F)F)CC1)c1ccc(F)cc1Cl ZINC000037305912 340785054 /nfs/dbraw/zinc/78/50/54/340785054.db2.gz QVAJWCVRKPFKFE-BMQDGWLCSA-N 0 3 323.761 5.251 10 0 DKAEHN Cc1ccc(CNCc2sc3ccccc3c2Cl)cc1 ZINC000037977158 182948816 /nfs/dbraw/zinc/94/88/16/182948816.db2.gz YUZIUPGDQZZJLF-UHFFFAOYSA-N 0 3 301.842 5.153 10 0 DKAEHN CCCOc1cccc(CN[C@H](C)c2ccc(Cl)s2)c1 ZINC000037996881 331594134 /nfs/dbraw/zinc/59/41/34/331594134.db2.gz XEYWBTIZNJOXMS-GFCCVEGCSA-N 0 3 309.862 5.041 10 0 DKAEHN Fc1ccc(-c2cn(-c3ccncc3)c3cc(Cl)ccc23)cc1 ZINC000038927927 183012944 /nfs/dbraw/zinc/01/29/44/183012944.db2.gz JKNPXPLGMZKBSY-UHFFFAOYSA-N 0 3 322.770 5.485 10 0 DKAEHN Cc1cc(NC2CCCCC2)c2ccc(C(F)(F)F)cc2n1 ZINC000040570848 183103526 /nfs/dbraw/zinc/10/35/26/183103526.db2.gz LWISGBNGFVXQJH-UHFFFAOYSA-N 0 3 308.347 5.307 10 0 DKAEHN Cc1cc(N(C)C2CCCCC2)c2ccc(C(F)(F)F)cc2n1 ZINC000040570940 183103693 /nfs/dbraw/zinc/10/36/93/183103693.db2.gz AGEUZJOUQDDWBF-UHFFFAOYSA-N 0 3 322.374 5.331 10 0 DKAEHN CCCCN(CC)c1cc(C)nc2cc(C(F)(F)F)ccc21 ZINC000040570957 183103697 /nfs/dbraw/zinc/10/36/97/183103697.db2.gz IWGNXOBVFQOHOD-UHFFFAOYSA-N 0 3 310.363 5.188 10 0 DKAEHN CC(C)Oc1cccc(CN[C@H](C)c2ccc(Cl)s2)c1 ZINC000040640392 333533108 /nfs/dbraw/zinc/53/31/08/333533108.db2.gz DWQYNSURLWGBCN-GFCCVEGCSA-N 0 3 309.862 5.040 10 0 DKAEHN CC(C)Oc1ccc2ccccc2c1CN[C@@H](C)c1ccccc1 ZINC000040729588 183125520 /nfs/dbraw/zinc/12/55/20/183125520.db2.gz JBQZTZCNSJITJJ-KRWDZBQOSA-N 0 3 319.448 5.478 10 0 DKAEHN CC(C)Oc1ccc2ccccc2c1CN[C@H](C)c1ccccc1 ZINC000040729591 183125513 /nfs/dbraw/zinc/12/55/13/183125513.db2.gz JBQZTZCNSJITJJ-QGZVFWFLSA-N 0 3 319.448 5.478 10 0 DKAEHN CC(C)Oc1ccc2ccccc2c1CNCc1ccc(F)cc1 ZINC000040729660 183125425 /nfs/dbraw/zinc/12/54/25/183125425.db2.gz DJEZUFVSSXNSFB-UHFFFAOYSA-N 0 3 323.411 5.056 10 0 DKAEHN Cc1ccc(CNCc2c(OC(C)C)ccc3ccccc32)cc1 ZINC000040729688 183125734 /nfs/dbraw/zinc/12/57/34/183125734.db2.gz IOSQVOQGRGMTFU-UHFFFAOYSA-N 0 3 319.448 5.225 10 0 DKAEHN CCCNCc1ccccc1OCc1c(Cl)cccc1Cl ZINC000040731786 183126212 /nfs/dbraw/zinc/12/62/12/183126212.db2.gz YDYJOAAMWRJNIJ-UHFFFAOYSA-N 0 3 324.251 5.072 10 0 DKAEHN CC(C)NCc1ccccc1OCc1c(Cl)cccc1Cl ZINC000040731873 183126352 /nfs/dbraw/zinc/12/63/52/183126352.db2.gz CQVMZSDTNYUFJN-UHFFFAOYSA-N 0 3 324.251 5.070 10 0 DKAEHN CCCNCc1ccccc1OCc1ccc(Cl)c(Cl)c1 ZINC000040732390 183126407 /nfs/dbraw/zinc/12/64/07/183126407.db2.gz YVSLCPQKXBEZNV-UHFFFAOYSA-N 0 3 324.251 5.072 10 0 DKAEHN CC(C)NCc1ccccc1OCc1ccc(Cl)c(Cl)c1 ZINC000040732481 183126063 /nfs/dbraw/zinc/12/60/63/183126063.db2.gz PDMFWCCCRYJUCT-UHFFFAOYSA-N 0 3 324.251 5.070 10 0 DKAEHN CCCNCc1cc(Cl)ccc1OCc1cccc(Cl)c1 ZINC000040743517 183128246 /nfs/dbraw/zinc/12/82/46/183128246.db2.gz KRMFZBZAVSMCRN-UHFFFAOYSA-N 0 3 324.251 5.072 10 0 DKAEHN CC(C)NCc1cc(Cl)ccc1OCc1cccc(Cl)c1 ZINC000040743547 183128103 /nfs/dbraw/zinc/12/81/03/183128103.db2.gz ZYCAXLLLWIPBEL-UHFFFAOYSA-N 0 3 324.251 5.070 10 0 DKAEHN CNCc1cc(Cl)ccc1Oc1ccc(Cl)c(Cl)c1 ZINC000040834231 183140222 /nfs/dbraw/zinc/14/02/22/183140222.db2.gz MRDDAOFLRIQUHE-UHFFFAOYSA-N 0 3 316.615 5.159 10 0 DKAEHN CCc1cc(Oc2cc(Cl)ccc2CNC)ccc1Cl ZINC000040980650 183154685 /nfs/dbraw/zinc/15/46/85/183154685.db2.gz FAHALPZKMLQCNC-UHFFFAOYSA-N 0 3 310.224 5.068 10 0 DKAEHN CCc1ccc([C@H](C)N[C@@H](C)c2cc(C)ccc2OC)s1 ZINC000041203817 333552913 /nfs/dbraw/zinc/55/29/13/333552913.db2.gz BIJDUYORSHDDGA-KBPBESRZSA-N 0 3 303.471 5.039 10 0 DKAEHN CCN[C@H](c1sccc1C)c1cccc(Cl)c1Cl ZINC000042729692 183302587 /nfs/dbraw/zinc/30/25/87/183302587.db2.gz CNMRKKDKBMOXHI-ZDUSSCGKSA-N 0 3 300.254 5.062 10 0 DKAEHN CCN[C@@H](c1sccc1C)c1cccc(Cl)c1Cl ZINC000042729694 183303042 /nfs/dbraw/zinc/30/30/42/183303042.db2.gz CNMRKKDKBMOXHI-CYBMUJFWSA-N 0 3 300.254 5.062 10 0 DKAEHN CCN[C@H](c1sccc1C)c1cc(Cl)cc(Cl)c1 ZINC000042729782 183302862 /nfs/dbraw/zinc/30/28/62/183302862.db2.gz ZHHRQMQFFPWIHY-ZDUSSCGKSA-N 0 3 300.254 5.062 10 0 DKAEHN CCN[C@@H](c1sccc1C)c1cc(Cl)cc(Cl)c1 ZINC000042729785 183302866 /nfs/dbraw/zinc/30/28/66/183302866.db2.gz ZHHRQMQFFPWIHY-CYBMUJFWSA-N 0 3 300.254 5.062 10 0 DKAEHN N[C@H](c1cc(Cl)sc1Cl)c1csc2ccccc21 ZINC000042890735 183316678 /nfs/dbraw/zinc/31/66/78/183316678.db2.gz IDQQMGFCHRRGRQ-GFCCVEGCSA-N 0 3 314.262 5.318 10 0 DKAEHN N[C@@H](c1cc(Cl)sc1Cl)c1csc2ccccc21 ZINC000042890739 183316511 /nfs/dbraw/zinc/31/65/11/183316511.db2.gz IDQQMGFCHRRGRQ-LBPRGKRZSA-N 0 3 314.262 5.318 10 0 DKAEHN CCN[C@@H](c1ccc(Cl)s1)c1csc2ccccc12 ZINC000042890921 183316987 /nfs/dbraw/zinc/31/69/87/183316987.db2.gz VOYXAICVIFNUQF-OAHLLOKOSA-N 0 3 307.871 5.315 10 0 DKAEHN CCN[C@H](c1ccc(Cl)s1)c1csc2ccccc12 ZINC000042890926 183316914 /nfs/dbraw/zinc/31/69/14/183316914.db2.gz VOYXAICVIFNUQF-HNNXBMFYSA-N 0 3 307.871 5.315 10 0 DKAEHN Cc1cccc([C@@H](C)N[C@@H](C)c2ccc(Br)cc2)c1 ZINC000049525069 334345358 /nfs/dbraw/zinc/34/53/58/334345358.db2.gz SDMAQYQCAQDZGP-UONOGXRCSA-N 0 3 318.258 5.169 10 0 DKAEHN Cc1cccc([C@H](C)N[C@@H](C)c2ccc(Br)cc2)c1 ZINC000049525070 334345377 /nfs/dbraw/zinc/34/53/77/334345377.db2.gz SDMAQYQCAQDZGP-KBPBESRZSA-N 0 3 318.258 5.169 10 0 DKAEHN Cc1cccc([C@@H](C)N[C@H](C)c2ccc(Br)cc2)c1 ZINC000049525072 334345335 /nfs/dbraw/zinc/34/53/35/334345335.db2.gz SDMAQYQCAQDZGP-ZIAGYGMSSA-N 0 3 318.258 5.169 10 0 DKAEHN Cc1cccc([C@H](C)N[C@H](C)c2ccc(Br)cc2)c1 ZINC000049525074 334345296 /nfs/dbraw/zinc/34/52/96/334345296.db2.gz SDMAQYQCAQDZGP-KGLIPLIRSA-N 0 3 318.258 5.169 10 0 DKAEHN CCCOc1ccc([C@@H](C)N[C@@H](CC)c2cccs2)cc1 ZINC000049529054 334345408 /nfs/dbraw/zinc/34/54/08/334345408.db2.gz CRCUEJONWOUSEC-PBHICJAKSA-N 0 3 303.471 5.339 10 0 DKAEHN CCCOc1ccc([C@H](C)N[C@@H](CC)c2cccs2)cc1 ZINC000049529055 334345348 /nfs/dbraw/zinc/34/53/48/334345348.db2.gz CRCUEJONWOUSEC-YOEHRIQHSA-N 0 3 303.471 5.339 10 0 DKAEHN CCCOc1ccc([C@@H](C)N[C@H](CC)c2cccs2)cc1 ZINC000049529056 334345350 /nfs/dbraw/zinc/34/53/50/334345350.db2.gz CRCUEJONWOUSEC-RHSMWYFYSA-N 0 3 303.471 5.339 10 0 DKAEHN CCCOc1ccc([C@H](C)N[C@H](CC)c2cccs2)cc1 ZINC000049529057 334345343 /nfs/dbraw/zinc/34/53/43/334345343.db2.gz CRCUEJONWOUSEC-WMLDXEAASA-N 0 3 303.471 5.339 10 0 DKAEHN C[C@H](NCc1csc2ccccc12)c1ccc(F)c(F)c1 ZINC000049943187 334359313 /nfs/dbraw/zinc/35/93/13/334359313.db2.gz VPICHRAPZHKXCF-NSHDSACASA-N 0 3 303.377 5.030 10 0 DKAEHN C[C@@H](NCc1csc2ccccc12)c1ccc(F)c(F)c1 ZINC000049943188 334359332 /nfs/dbraw/zinc/35/93/32/334359332.db2.gz VPICHRAPZHKXCF-LLVKDONJSA-N 0 3 303.377 5.030 10 0 DKAEHN C[C@H](NCc1csc2ccccc12)c1cccc(Cl)c1 ZINC000049943221 334359620 /nfs/dbraw/zinc/35/96/20/334359620.db2.gz HWNGZNKSDCCKGO-LBPRGKRZSA-N 0 3 301.842 5.406 10 0 DKAEHN C[C@@H](NCc1csc2ccccc12)c1cccc(Cl)c1 ZINC000049943222 334359531 /nfs/dbraw/zinc/35/95/31/334359531.db2.gz HWNGZNKSDCCKGO-GFCCVEGCSA-N 0 3 301.842 5.406 10 0 DKAEHN C[C@H](NCc1csc2ccccc12)c1ccc(Cl)cc1 ZINC000049943225 334359506 /nfs/dbraw/zinc/35/95/06/334359506.db2.gz YRTHCFCGPOEIMB-LBPRGKRZSA-N 0 3 301.842 5.406 10 0 DKAEHN C[C@@H](NCc1csc2ccccc12)c1ccc(Cl)cc1 ZINC000049943226 334359669 /nfs/dbraw/zinc/35/96/69/334359669.db2.gz YRTHCFCGPOEIMB-GFCCVEGCSA-N 0 3 301.842 5.406 10 0 DKAEHN Cc1cc(CN[C@@H](C)c2ccc(Cl)c(Cl)c2)ccc1F ZINC000050544684 334718134 /nfs/dbraw/zinc/71/81/34/334718134.db2.gz GLSIYKYUHZRLAK-NSHDSACASA-N 0 3 312.215 5.292 10 0 DKAEHN Cc1c(-c2ccccc2)c2cc(Cl)ccc2n1-c1ccncc1 ZINC000059051512 184134326 /nfs/dbraw/zinc/13/43/26/184134326.db2.gz BVJDETUNFCUAMJ-UHFFFAOYSA-N 0 3 318.807 5.654 10 0 DKAEHN Cc1ccc([C@H](N)c2ccc(Cl)c(Cl)c2)cc1Cl ZINC000063021385 184267538 /nfs/dbraw/zinc/26/75/38/184267538.db2.gz YDOURAUELHCTPX-AWEZNQCLSA-N 0 3 300.616 5.003 10 0 DKAEHN Cc1ccc([C@@H](N)c2ccc(Cl)c(Cl)c2)cc1Cl ZINC000063021386 184267304 /nfs/dbraw/zinc/26/73/04/184267304.db2.gz YDOURAUELHCTPX-CQSZACIVSA-N 0 3 300.616 5.003 10 0 DKAEHN C[C@H](N[C@@H](C)c1cnc2ccsc2c1)c1cccc(Cl)c1 ZINC000068690535 340924819 /nfs/dbraw/zinc/92/48/19/340924819.db2.gz DYFGCZMPGVDAHL-RYUDHWBXSA-N 0 3 316.857 5.362 10 0 DKAEHN Cc1ccsc1[C@@H](C)N[C@@H](C)c1cccc(Br)c1 ZINC000070090290 334366659 /nfs/dbraw/zinc/36/66/59/334366659.db2.gz HYNFTBLSKKZZRR-NWDGAFQWSA-N 0 3 324.287 5.231 10 0 DKAEHN Cc1ccsc1[C@H](C)N[C@@H](C)c1cccc(Br)c1 ZINC000070090291 334366689 /nfs/dbraw/zinc/36/66/89/334366689.db2.gz HYNFTBLSKKZZRR-RYUDHWBXSA-N 0 3 324.287 5.231 10 0 DKAEHN Cc1ccsc1[C@@H](C)N[C@H](C)c1cccc(Br)c1 ZINC000070090292 334366696 /nfs/dbraw/zinc/36/66/96/334366696.db2.gz HYNFTBLSKKZZRR-VXGBXAGGSA-N 0 3 324.287 5.231 10 0 DKAEHN Cc1ccsc1[C@H](C)N[C@H](C)c1cccc(Br)c1 ZINC000070090293 334366668 /nfs/dbraw/zinc/36/66/68/334366668.db2.gz HYNFTBLSKKZZRR-NEPJUHHUSA-N 0 3 324.287 5.231 10 0 DKAEHN CC1CCC(CCNCc2ccc(Cl)cc2Cl)CC1 ZINC000070538315 563451215 /nfs/dbraw/zinc/45/12/15/563451215.db2.gz LXWDBVCQAFZWGX-UHFFFAOYSA-N 0 3 300.273 5.299 10 0 DKAEHN CC1CCC(CCNCc2c(Cl)cccc2Cl)CC1 ZINC000070538488 563451089 /nfs/dbraw/zinc/45/10/89/563451089.db2.gz XDZXYEZKCVVHRX-UHFFFAOYSA-N 0 3 300.273 5.299 10 0 DKAEHN CCCN[C@@H](C)c1csc(-c2ccc(C(C)(C)C)cc2)n1 ZINC000076784369 185040615 /nfs/dbraw/zinc/04/06/15/185040615.db2.gz VDBCADPHJWTYKS-ZDUSSCGKSA-N 0 3 302.487 5.168 10 0 DKAEHN CCCN[C@H](C)c1csc(-c2ccc(C(C)(C)C)cc2)n1 ZINC000076784371 185040449 /nfs/dbraw/zinc/04/04/49/185040449.db2.gz VDBCADPHJWTYKS-CYBMUJFWSA-N 0 3 302.487 5.168 10 0 DKAEHN CCNCc1oc2c(cc(Cl)cc2Cl)c1C(C)(C)C ZINC000077071742 185093747 /nfs/dbraw/zinc/09/37/47/185093747.db2.gz WPGAYKMLDDHILB-UHFFFAOYSA-N 0 3 300.229 5.147 10 0 DKAEHN CCc1nc(C)c([C@@H](C)N[C@H](C)c2ccc(Cl)s2)s1 ZINC000089213573 332064773 /nfs/dbraw/zinc/06/47/73/332064773.db2.gz QDSKFPVZMWICLY-RKDXNWHRSA-N 0 3 314.907 5.141 10 0 DKAEHN CCc1nc(C)c([C@H](C)N[C@H](C)c2ccc(Cl)s2)s1 ZINC000089213575 332064770 /nfs/dbraw/zinc/06/47/70/332064770.db2.gz QDSKFPVZMWICLY-BDAKNGLRSA-N 0 3 314.907 5.141 10 0 DKAEHN CCc1nc(C)c([C@@H](C)N[C@@H](C)c2ccc(Cl)s2)s1 ZINC000089216465 340466524 /nfs/dbraw/zinc/46/65/24/340466524.db2.gz QDSKFPVZMWICLY-DTWKUNHWSA-N 0 3 314.907 5.141 10 0 DKAEHN CCc1cccc2c(C3=CCN(Cc4ccccc4)CC3)c[nH]c21 ZINC000090415673 185295219 /nfs/dbraw/zinc/29/52/19/185295219.db2.gz KUUVBKVEIXUBHP-UHFFFAOYSA-N 0 3 316.448 5.020 10 0 DKAEHN CCCn1ccc(CN[C@@H](C)c2ccc(Cl)c(Cl)c2)c1 ZINC000091009660 332058544 /nfs/dbraw/zinc/05/85/44/332058544.db2.gz QQBFNDDZWJZCRM-LBPRGKRZSA-N 0 3 311.256 5.056 10 0 DKAEHN CCCn1ccc(CN[C@H](C)c2ccc(Cl)c(Cl)c2)c1 ZINC000091009661 332058550 /nfs/dbraw/zinc/05/85/50/332058550.db2.gz QQBFNDDZWJZCRM-GFCCVEGCSA-N 0 3 311.256 5.056 10 0 DKAEHN COc1ccc2c(c1)[C@H](N[C@@H](C)c1ccc(Cl)s1)CCC2 ZINC000092383614 332127729 /nfs/dbraw/zinc/12/77/29/332127729.db2.gz RGBZGDGPUOBJEX-XHDPSFHLSA-N 0 3 321.873 5.138 10 0 DKAEHN COc1ccc2c(c1)[C@H](N[C@H](C)c1ccc(Cl)s1)CCC2 ZINC000092383615 332127717 /nfs/dbraw/zinc/12/77/17/332127717.db2.gz RGBZGDGPUOBJEX-IAQYHMDHSA-N 0 3 321.873 5.138 10 0 DKAEHN COc1ccc2c(c1)[C@@H](N[C@@H](C)c1ccc(Cl)s1)CCC2 ZINC000092383616 332127845 /nfs/dbraw/zinc/12/78/45/332127845.db2.gz RGBZGDGPUOBJEX-NHYWBVRUSA-N 0 3 321.873 5.138 10 0 DKAEHN COc1ccc2c(c1)[C@@H](N[C@H](C)c1ccc(Cl)s1)CCC2 ZINC000092383617 332127849 /nfs/dbraw/zinc/12/78/49/332127849.db2.gz RGBZGDGPUOBJEX-ABAIWWIYSA-N 0 3 321.873 5.138 10 0 DKAEHN CSc1ccc([C@H](C)N[C@H](C)c2ccc(C)c(F)c2)cc1 ZINC000094837123 335755538 /nfs/dbraw/zinc/75/55/38/335755538.db2.gz XYMFLAZKKWPSDP-UONOGXRCSA-N 0 3 303.446 5.268 10 0 DKAEHN CSc1ccc([C@@H](C)N[C@H](C)c2ccc(C)c(F)c2)cc1 ZINC000094837125 335755632 /nfs/dbraw/zinc/75/56/32/335755632.db2.gz XYMFLAZKKWPSDP-ZIAGYGMSSA-N 0 3 303.446 5.268 10 0 DKAEHN CSc1ccc([C@@H](C)N[C@@H](C)c2ccc(C)c(F)c2)cc1 ZINC000094837126 335755554 /nfs/dbraw/zinc/75/55/54/335755554.db2.gz XYMFLAZKKWPSDP-KGLIPLIRSA-N 0 3 303.446 5.268 10 0 DKAEHN C[C@H](N[C@H]1C[C@H](C)Sc2sccc21)c1cccc(Cl)c1 ZINC000130178073 341005175 /nfs/dbraw/zinc/00/51/75/341005175.db2.gz NBDOLXXNOOGRCW-PGUXBMHVSA-N 0 3 323.914 5.678 10 0 DKAEHN C[C@H](N[C@@H]1C[C@H](C)Sc2sccc21)c1cccc(Cl)c1 ZINC000130178302 341005230 /nfs/dbraw/zinc/00/52/30/341005230.db2.gz NBDOLXXNOOGRCW-ZIBATOQPSA-N 0 3 323.914 5.678 10 0 DKAEHN C[C@H](N[C@H]1C[C@H](C)Sc2sccc21)c1ccc(Cl)cc1 ZINC000130179816 341005439 /nfs/dbraw/zinc/00/54/39/341005439.db2.gz MOEPMHRTSPXKIM-PGUXBMHVSA-N 0 3 323.914 5.678 10 0 DKAEHN C[C@H](N[C@@H]1C[C@H](C)Sc2sccc21)c1ccc(Cl)cc1 ZINC000130180030 341005408 /nfs/dbraw/zinc/00/54/08/341005408.db2.gz MOEPMHRTSPXKIM-ZIBATOQPSA-N 0 3 323.914 5.678 10 0 DKAEHN C[C@@H](N[C@H]1C[C@H](C)Sc2sccc21)c1ccc(Cl)cc1 ZINC000130180256 341005472 /nfs/dbraw/zinc/00/54/72/341005472.db2.gz MOEPMHRTSPXKIM-RWSFTLGLSA-N 0 3 323.914 5.678 10 0 DKAEHN C[C@@H](N[C@@H]1C[C@H](C)Sc2sccc21)c1ccc(Cl)cc1 ZINC000130180451 341005522 /nfs/dbraw/zinc/00/55/22/341005522.db2.gz MOEPMHRTSPXKIM-FIXISWKDSA-N 0 3 323.914 5.678 10 0 DKAEHN Cc1ccccc1[C@@H](C)N[C@@H]1C[C@H](C)Sc2sccc21 ZINC000130187980 341005609 /nfs/dbraw/zinc/00/56/09/341005609.db2.gz CTXJMOVWDQWGRR-WOSRLPQWSA-N 0 3 303.496 5.333 10 0 DKAEHN Cc1ccccc1[C@H](C)N[C@@H]1C[C@H](C)Sc2sccc21 ZINC000130188230 341005614 /nfs/dbraw/zinc/00/56/14/341005614.db2.gz CTXJMOVWDQWGRR-HEHGZKQESA-N 0 3 303.496 5.333 10 0 DKAEHN Cc1ccccc1[C@@H](C)N[C@H]1C[C@H](C)Sc2sccc21 ZINC000130188450 341005532 /nfs/dbraw/zinc/00/55/32/341005532.db2.gz CTXJMOVWDQWGRR-ZENOOKHLSA-N 0 3 303.496 5.333 10 0 DKAEHN Cc1ccccc1[C@H](C)N[C@H]1C[C@H](C)Sc2sccc21 ZINC000130188661 341005839 /nfs/dbraw/zinc/00/58/39/341005839.db2.gz CTXJMOVWDQWGRR-XEZPLFJOSA-N 0 3 303.496 5.333 10 0 DKAEHN CC[C@H](N[C@@H]1C[C@H](C)Sc2sccc21)c1ccccc1 ZINC000130479851 332024876 /nfs/dbraw/zinc/02/48/76/332024876.db2.gz IRZNDOBTJWXNPV-VBNZEHGJSA-N 0 3 303.496 5.414 10 0 DKAEHN CC[C@@H](N[C@@H]1C[C@H](C)Sc2sccc21)c1ccccc1 ZINC000130480061 341022813 /nfs/dbraw/zinc/02/28/13/341022813.db2.gz IRZNDOBTJWXNPV-APHBMKBZSA-N 0 3 303.496 5.414 10 0 DKAEHN CC[C@H](N[C@H]1C[C@H](C)Sc2sccc21)c1ccccc1 ZINC000130480270 332024761 /nfs/dbraw/zinc/02/47/61/332024761.db2.gz IRZNDOBTJWXNPV-RCBQFDQVSA-N 0 3 303.496 5.414 10 0 DKAEHN CC[C@@H](N[C@H]1C[C@H](C)Sc2sccc21)c1ccccc1 ZINC000130480482 341022802 /nfs/dbraw/zinc/02/28/02/341022802.db2.gz IRZNDOBTJWXNPV-MAZHCROVSA-N 0 3 303.496 5.414 10 0 DKAEHN Clc1ccc2c(c1)c(-c1ccccc1)cn2-c1ccncc1 ZINC000145259109 186037357 /nfs/dbraw/zinc/03/73/57/186037357.db2.gz GMAAUVFGYOGONQ-UHFFFAOYSA-N 0 3 304.780 5.346 10 0 DKAEHN CCc1nc(C)c([C@@H](C)N[C@@H](C)c2cccc(Cl)c2)s1 ZINC000152435862 336371977 /nfs/dbraw/zinc/37/19/77/336371977.db2.gz NUGFTIRXQMZNHL-WDEREUQCSA-N 0 3 308.878 5.079 10 0 DKAEHN CCc1nc(C)c([C@H](C)N[C@@H](C)c2cccc(Cl)c2)s1 ZINC000152435946 336374600 /nfs/dbraw/zinc/37/46/00/336374600.db2.gz NUGFTIRXQMZNHL-QWRGUYRKSA-N 0 3 308.878 5.079 10 0 DKAEHN Cc1ccc([C@@H](C)N[C@@H]2CC(C)(C)Oc3ccccc32)s1 ZINC000163101495 338687558 /nfs/dbraw/zinc/68/75/58/338687558.db2.gz MTILIDHGVJVJHK-UKRRQHHQSA-N 0 3 301.455 5.010 10 0 DKAEHN Cc1ccc([C@H](C)N[C@@H]2CC(C)(C)Oc3ccccc32)s1 ZINC000163101606 338688414 /nfs/dbraw/zinc/68/84/14/338688414.db2.gz MTILIDHGVJVJHK-DZGCQCFKSA-N 0 3 301.455 5.010 10 0 DKAEHN Cc1ccc([C@@H](C)N[C@H]2CC(C)(C)Oc3ccccc32)s1 ZINC000163101713 338688518 /nfs/dbraw/zinc/68/85/18/338688518.db2.gz MTILIDHGVJVJHK-HIFRSBDPSA-N 0 3 301.455 5.010 10 0 DKAEHN Cc1ccc([C@H](C)N[C@H]2CC(C)(C)Oc3ccccc32)s1 ZINC000163101803 338688505 /nfs/dbraw/zinc/68/85/05/338688505.db2.gz MTILIDHGVJVJHK-ZFWWWQNUSA-N 0 3 301.455 5.010 10 0 DKAEHN CC[C@H](N[C@@H]1CC(C)(C)Oc2ccccc21)c1cccs1 ZINC000163102820 517828342 /nfs/dbraw/zinc/82/83/42/517828342.db2.gz BYLWLVJQHRYHSV-LSDHHAIUSA-N 0 3 301.455 5.091 10 0 DKAEHN CC[C@@H](N[C@@H]1CC(C)(C)Oc2ccccc21)c1cccs1 ZINC000163102913 338688477 /nfs/dbraw/zinc/68/84/77/338688477.db2.gz BYLWLVJQHRYHSV-HUUCEWRRSA-N 0 3 301.455 5.091 10 0 DKAEHN CC[C@H](N[C@H]1CC(C)(C)Oc2ccccc21)c1cccs1 ZINC000163103002 338688423 /nfs/dbraw/zinc/68/84/23/338688423.db2.gz BYLWLVJQHRYHSV-GJZGRUSLSA-N 0 3 301.455 5.091 10 0 DKAEHN CC[C@@H](N[C@H]1CC(C)(C)Oc2ccccc21)c1cccs1 ZINC000163103087 338688436 /nfs/dbraw/zinc/68/84/36/338688436.db2.gz BYLWLVJQHRYHSV-CABCVRRESA-N 0 3 301.455 5.091 10 0 DKAEHN C[C@H](N[C@@H]1CCOc2ccccc21)c1cc2ccccc2s1 ZINC000177986559 333000704 /nfs/dbraw/zinc/00/07/04/333000704.db2.gz OJMRORJMTGSTHC-XJKSGUPXSA-N 0 3 309.434 5.076 10 0 DKAEHN C[C@@H](N[C@@H]1CCOc2ccccc21)c1cc2ccccc2s1 ZINC000177986573 333000721 /nfs/dbraw/zinc/00/07/21/333000721.db2.gz OJMRORJMTGSTHC-CZUORRHYSA-N 0 3 309.434 5.076 10 0 DKAEHN C[C@H](N[C@H]1CCOc2ccccc21)c1cc2ccccc2s1 ZINC000177986586 333000673 /nfs/dbraw/zinc/00/06/73/333000673.db2.gz OJMRORJMTGSTHC-BBRMVZONSA-N 0 3 309.434 5.076 10 0 DKAEHN C[C@@H](N[C@H]1CCOc2ccccc21)c1cc2ccccc2s1 ZINC000177986599 333000741 /nfs/dbraw/zinc/00/07/41/333000741.db2.gz OJMRORJMTGSTHC-CJNGLKHVSA-N 0 3 309.434 5.076 10 0 DKAEHN Cc1ccc(OC(F)F)c([C@@H](C)N[C@@H](C)c2cccs2)c1 ZINC000178173565 340447416 /nfs/dbraw/zinc/44/74/16/340447416.db2.gz CEEJTCSWGWGJIA-NEPJUHHUSA-N 0 3 311.397 5.070 10 0 DKAEHN Cc1ccc(OC(F)F)c([C@@H](C)N[C@H](C)c2cccs2)c1 ZINC000178173587 340447444 /nfs/dbraw/zinc/44/74/44/340447444.db2.gz CEEJTCSWGWGJIA-VXGBXAGGSA-N 0 3 311.397 5.070 10 0 DKAEHN Cc1ccc(OC(F)F)c([C@H](C)N[C@H](C)c2cccs2)c1 ZINC000178173596 340447421 /nfs/dbraw/zinc/44/74/21/340447421.db2.gz CEEJTCSWGWGJIA-NWDGAFQWSA-N 0 3 311.397 5.070 10 0 DKAEHN C[C@H](N[C@@H](C)c1cccc(-c2ccncc2)c1)c1cccs1 ZINC000178179137 340447548 /nfs/dbraw/zinc/44/75/48/340447548.db2.gz ZMBNNRBIBGMKND-GJZGRUSLSA-N 0 3 308.450 5.222 10 0 DKAEHN Cc1cncc([C@@H](C)N[C@@H](C)c2ccc(Cl)c(Cl)c2)c1 ZINC000184253083 340491443 /nfs/dbraw/zinc/49/14/43/340491443.db2.gz OOMAOUCTPIJGSQ-NWDGAFQWSA-N 0 3 309.240 5.109 10 0 DKAEHN Cc1c([C@@H](C)N[C@H](C)c2ccc(C(C)C)cc2)cnn1C(C)C ZINC000191101363 340550003 /nfs/dbraw/zinc/55/00/03/340550003.db2.gz AKAFHCGGYZZGOO-HZPDHXFCSA-N 0 3 313.489 5.308 10 0 DKAEHN Cc1c([C@H](C)N[C@H](C)c2ccc(C(C)C)cc2)cnn1C(C)C ZINC000191101376 340550076 /nfs/dbraw/zinc/55/00/76/340550076.db2.gz AKAFHCGGYZZGOO-CVEARBPZSA-N 0 3 313.489 5.308 10 0 DKAEHN Cc1c([C@@H](C)N[C@@H](C)c2ccc3ccccc3c2)cnn1C(C)C ZINC000191110730 340550106 /nfs/dbraw/zinc/55/01/06/340550106.db2.gz KQXVPWWOWGHZFG-JKSUJKDBSA-N 0 3 321.468 5.337 10 0 DKAEHN Cc1c([C@H](C)N[C@@H](C)c2ccc3ccccc3c2)cnn1C(C)C ZINC000191110748 340550136 /nfs/dbraw/zinc/55/01/36/340550136.db2.gz KQXVPWWOWGHZFG-HOTGVXAUSA-N 0 3 321.468 5.337 10 0 DKAEHN Cc1c([C@@H](C)N[C@H](C)c2ccc3ccccc3c2)cnn1C(C)C ZINC000191110762 340550133 /nfs/dbraw/zinc/55/01/33/340550133.db2.gz KQXVPWWOWGHZFG-HZPDHXFCSA-N 0 3 321.468 5.337 10 0 DKAEHN Cc1c([C@H](C)N[C@H]2CC[C@H](C)c3ccccc32)cnn1C(C)C ZINC000191392150 340553880 /nfs/dbraw/zinc/55/38/80/340553880.db2.gz GDXUQYOGTBWYEN-AVYPCKFXSA-N 0 3 311.473 5.062 10 0 DKAEHN C[C@@H]1CC[C@H](NCc2cnc(-c3ccco3)s2)c2ccccc21 ZINC000193178775 340573626 /nfs/dbraw/zinc/57/36/26/340573626.db2.gz XCDUGEVEZGNAFV-DYVFJYSZSA-N 0 3 324.449 5.131 10 0 DKAEHN C[C@H]1CC[C@H](NCc2cnc(-c3ccco3)s2)c2ccccc21 ZINC000193178783 340573657 /nfs/dbraw/zinc/57/36/57/340573657.db2.gz XCDUGEVEZGNAFV-GUYCJALGSA-N 0 3 324.449 5.131 10 0 DKAEHN C[C@@H]1CC[C@@H](NCc2cnc(-c3ccco3)s2)c2ccccc21 ZINC000193178794 340573659 /nfs/dbraw/zinc/57/36/59/340573659.db2.gz XCDUGEVEZGNAFV-CXAGYDPISA-N 0 3 324.449 5.131 10 0 DKAEHN C[C@H]1CC[C@@H](NCc2cnc(-c3ccco3)s2)c2ccccc21 ZINC000193178805 340573664 /nfs/dbraw/zinc/57/36/64/340573664.db2.gz XCDUGEVEZGNAFV-SUMWQHHRSA-N 0 3 324.449 5.131 10 0 DKAEHN Cc1ccccc1[C@@H](C)N[C@H](C)c1cc(Br)cs1 ZINC000226390655 340584472 /nfs/dbraw/zinc/58/44/72/340584472.db2.gz UTFWTJCTLIHVCA-VXGBXAGGSA-N 0 3 324.287 5.231 10 0 DKAEHN CC[C@H](N[C@@H](C)c1cc(Br)cs1)c1ccccc1 ZINC000226394510 340584505 /nfs/dbraw/zinc/58/45/05/340584505.db2.gz UGEFLVKJCWIZCJ-FZMZJTMJSA-N 0 3 324.287 5.313 10 0 DKAEHN CC[C@H](N[C@H](C)c1cc(Br)cs1)c1ccccc1 ZINC000226394527 333968451 /nfs/dbraw/zinc/96/84/51/333968451.db2.gz UGEFLVKJCWIZCJ-RISCZKNCSA-N 0 3 324.287 5.313 10 0 DKAEHN CSc1ccc(CN[C@@H](C)c2ccc3ccccc3c2)cc1 ZINC000247824414 341370602 /nfs/dbraw/zinc/37/06/02/341370602.db2.gz IXQLYHPJEKIIRT-HNNXBMFYSA-N 0 3 307.462 5.413 10 0 DKAEHN Cc1c([C@H](C)N[C@@H]2CC[C@@H](C)c3ccccc32)cnn1C(C)C ZINC000248684856 341384357 /nfs/dbraw/zinc/38/43/57/341384357.db2.gz GDXUQYOGTBWYEN-QEEYODRMSA-N 0 3 311.473 5.062 10 0 DKAEHN Cc1c([C@H](C)N[C@H]2CC[C@@H](C)c3ccccc32)cnn1C(C)C ZINC000248684859 341384258 /nfs/dbraw/zinc/38/42/58/341384258.db2.gz GDXUQYOGTBWYEN-SIFCLUCFSA-N 0 3 311.473 5.062 10 0 DKAEHN Cc1sccc1CN[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000311216592 340445870 /nfs/dbraw/zinc/44/58/70/340445870.db2.gz MTIQGDCKLQLQBO-SECBINFHSA-N 0 3 300.254 5.214 10 0 DKAEHN Cc1cc([C@H](C)N[C@H](C)c2cccc(Br)c2)cs1 ZINC000381801403 333072712 /nfs/dbraw/zinc/07/27/12/333072712.db2.gz UHINOQDOEAOXLJ-NEPJUHHUSA-N 0 3 324.287 5.231 10 0 DKAEHN CC(C)(C)C1CCC2(CCN(Cc3ccccc3Cl)C2)CC1 ZINC000584624961 337375317 /nfs/dbraw/zinc/37/53/17/337375317.db2.gz SKIREKHVDONNLI-UHFFFAOYSA-N 0 3 319.920 5.768 10 0 DKAEHN COc1ccc(Nc2cc(C)nc3c(C)cc(C4CC4)cc23)cc1 ZINC000584637491 337379516 /nfs/dbraw/zinc/37/95/16/337379516.db2.gz RVEWYGXQTKNHOT-UHFFFAOYSA-N 0 3 318.420 5.481 10 0 DKAEHN Brc1ccc(C2(N3CCCCC3)CCCCC2)cc1 ZINC000584650079 337380634 /nfs/dbraw/zinc/38/06/34/337380634.db2.gz ULASCOMAIDZZIK-UHFFFAOYSA-N 0 3 322.290 5.094 10 0 DKAEHN COc1ccc(CN2CC3(CCCCC3)[C@@H]2c2ccccc2)cc1 ZINC000584904617 563860373 /nfs/dbraw/zinc/86/03/73/563860373.db2.gz XTKSLLICGRDUTA-NRFANRHFSA-N 0 3 321.464 5.203 10 0 DKAEHN COc1ccc(CN2CC3(CCCCC3)[C@H]2c2ccccc2)cc1 ZINC000584904618 563860526 /nfs/dbraw/zinc/86/05/26/563860526.db2.gz XTKSLLICGRDUTA-OAQYLSRUSA-N 0 3 321.464 5.203 10 0 DKAEHN