smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)CCN1CCC(c2cc[nH]n2)CC1 ZINC000160655205 349282232 /nfs/dbraw/zinc/28/22/32/349282232.db2.gz WBFNPIILYIZOAI-UHFFFAOYSA-N 0 3 237.303 1.152 10 70 BDIEHN CC[C@@H](O)CCNCc1ccnc(C)n1 ZINC000218766891 134259903 /nfs/dbraw/zinc/25/99/03/134259903.db2.gz MSMSLGXIBFFMKR-LLVKDONJSA-N 0 3 209.293 1.036 10 70 BDIEHN CCC[C@H](C(=O)N(C)Cc1ccncc1)N(C)C ZINC000161393410 384485798 /nfs/dbraw/zinc/48/57/98/384485798.db2.gz JNHDEULCXLFPQP-CYBMUJFWSA-N 0 3 249.358 1.770 10 70 BDIEHN CC(C)OC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000217757672 388572153 /nfs/dbraw/zinc/57/21/53/388572153.db2.gz QVZIHQDBISXJPW-SECBINFHSA-N 0 3 214.309 1.604 10 70 BDIEHN CCC[C@H](C(=O)NC1CCCC1)N(C)C ZINC000161179207 323150072 /nfs/dbraw/zinc/15/00/72/323150072.db2.gz POHDUNGDKDORCX-LLVKDONJSA-N 0 3 212.337 1.776 10 70 BDIEHN CCn1cnnc1[C@H]1CCCN(CC)C1 ZINC000161274597 349413478 /nfs/dbraw/zinc/41/34/78/349413478.db2.gz MGVFAXYOWFAPAP-JTQLQIEISA-N 0 3 208.309 1.497 10 70 BDIEHN CCC[C@H]1CN=C(N[C@H]2CCOC2)S1 ZINC000218109411 372062647 /nfs/dbraw/zinc/06/26/47/372062647.db2.gz YPGLKBBRLXIRGT-IUCAKERBSA-N 0 3 214.334 1.636 10 70 BDIEHN CCC[C@@H](C(=O)NCc1ccco1)N(C)C ZINC000161130744 169345201 /nfs/dbraw/zinc/34/52/01/169345201.db2.gz ZRGFFFKHIQUWDT-NSHDSACASA-N 0 3 224.304 1.626 10 70 BDIEHN CSC[C@H](C)NCc1cnn(C)c1C ZINC000160152131 175524363 /nfs/dbraw/zinc/52/43/63/175524363.db2.gz PZTJANBQOHLCKG-QMMMGPOBSA-N 0 3 213.350 1.570 10 70 BDIEHN CCC[C@@H](C(=O)NC1CCCC1)N(C)C ZINC000161179070 323150146 /nfs/dbraw/zinc/15/01/46/323150146.db2.gz POHDUNGDKDORCX-NSHDSACASA-N 0 3 212.337 1.776 10 70 BDIEHN CSC[C@@H](C)NCc1cnn(C)c1C ZINC000160152259 387076507 /nfs/dbraw/zinc/07/65/07/387076507.db2.gz PZTJANBQOHLCKG-MRVPVSSYSA-N 0 3 213.350 1.570 10 70 BDIEHN CCC[C@@H](C(=O)N1CCOC(C)(C)C1)N(C)C ZINC000159988509 323056835 /nfs/dbraw/zinc/05/68/35/323056835.db2.gz QKOMTVGXQLQRDB-NSHDSACASA-N 0 3 242.363 1.354 10 70 BDIEHN CCC[C@H](C(=O)N[C@@H](C)C(C)C)N(C)C ZINC000161397906 323512079 /nfs/dbraw/zinc/51/20/79/323512079.db2.gz CLEXALAQBOOPCA-WDEREUQCSA-N 0 3 214.353 1.877 10 70 BDIEHN CCn1cnnc1[C@H]1CCCN(C(C)C)C1 ZINC000161422013 349443633 /nfs/dbraw/zinc/44/36/33/349443633.db2.gz XOXCHCOTJFLHKM-NSHDSACASA-N 0 3 222.336 1.886 10 70 BDIEHN C[C@]1(C(=O)Nc2nccs2)CCCCN1 ZINC000159548000 361251490 /nfs/dbraw/zinc/25/14/90/361251490.db2.gz WPZWTEKUVIPZTG-SNVBAGLBSA-N 0 3 225.317 1.614 10 70 BDIEHN CCC[C@H]1CN=C(N[C@@H]2CCOC2)S1 ZINC000218109251 372062545 /nfs/dbraw/zinc/06/25/45/372062545.db2.gz YPGLKBBRLXIRGT-BDAKNGLRSA-N 0 3 214.334 1.636 10 70 BDIEHN Cn1cc([C@H]2CCCN2CCOCC2CC2)cn1 ZINC000160519993 388072410 /nfs/dbraw/zinc/07/24/10/388072410.db2.gz JKVJUCVWBQNFSA-CQSZACIVSA-N 0 3 249.358 1.984 10 70 BDIEHN CCC[C@H](C(=O)N1CCOC(C)(C)C1)N(C)C ZINC000159988629 323056796 /nfs/dbraw/zinc/05/67/96/323056796.db2.gz QKOMTVGXQLQRDB-LLVKDONJSA-N 0 3 242.363 1.354 10 70 BDIEHN CCC[C@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)N(C)C ZINC000161136031 323149027 /nfs/dbraw/zinc/14/90/27/323149027.db2.gz OEFINLWGVNBLFF-IJLUTSLNSA-N 0 3 242.363 1.353 10 70 BDIEHN CCC[C@H](C(=O)NCCC(C)C)N(C)C ZINC000161164798 323149673 /nfs/dbraw/zinc/14/96/73/323149673.db2.gz UXCLRRYIABHNDJ-LLVKDONJSA-N 0 3 214.353 1.879 10 70 BDIEHN NC(=S)[C@@H]1CCCN1Cc1cncs1 ZINC000159620039 350953545 /nfs/dbraw/zinc/95/35/45/350953545.db2.gz PAIDCUKSNNHFRV-QMMMGPOBSA-N 0 3 227.358 1.394 10 70 BDIEHN CCC[C@H](C(=O)NCC(F)(F)F)N(C)C ZINC000161437848 387211552 /nfs/dbraw/zinc/21/15/52/387211552.db2.gz OKHLSGCUROVBSC-SSDOTTSWSA-N 0 3 226.242 1.395 10 70 BDIEHN CCC[C@H](C(=O)N1CCC[C@H](C)C1)N(C)C ZINC000161151071 323149144 /nfs/dbraw/zinc/14/91/44/323149144.db2.gz BNMMEVZRNBSWBI-NWDGAFQWSA-N 0 3 226.364 1.975 10 70 BDIEHN CCC[C@@H](C(=O)N1CCC(C)CC1)N(C)C ZINC000161187657 323151288 /nfs/dbraw/zinc/15/12/88/323151288.db2.gz QOMNNRHQGPTTGI-LBPRGKRZSA-N 0 3 226.364 1.975 10 70 BDIEHN Cc1cnccc1CN[C@@H]1CCO[C@@H]1C ZINC000160592667 388078277 /nfs/dbraw/zinc/07/82/77/388078277.db2.gz GAWABCHKWYYYPR-ZYHUDNBSSA-N 0 3 206.289 1.657 10 70 BDIEHN CCC[C@H](C(=O)N[C@H](C)CC)N(C)C ZINC000161133446 323148893 /nfs/dbraw/zinc/14/88/93/323148893.db2.gz SEZMJUVOTZFTRU-NXEZZACHSA-N 0 3 200.326 1.631 10 70 BDIEHN CCC[C@@H](C)NC(=O)[C@@]1(C)CCCCN1 ZINC000159554117 488056786 /nfs/dbraw/zinc/05/67/86/488056786.db2.gz CXCHIEMZXOQIPT-ZYHUDNBSSA-N 0 3 212.337 1.823 10 70 BDIEHN CCC[C@H](C)NC(=O)[C@]1(C)CCCCN1 ZINC000159553983 488057001 /nfs/dbraw/zinc/05/70/01/488057001.db2.gz CXCHIEMZXOQIPT-JQWIXIFHSA-N 0 3 212.337 1.823 10 70 BDIEHN CCC[C@H](C(=O)N1CCC[C@@H](C)C1)N(C)C ZINC000161151316 323149252 /nfs/dbraw/zinc/14/92/52/323149252.db2.gz BNMMEVZRNBSWBI-VXGBXAGGSA-N 0 3 226.364 1.975 10 70 BDIEHN CCC[C@@H](C(=O)NCCCOCC)N(C)C ZINC000161190638 323161110 /nfs/dbraw/zinc/16/11/10/323161110.db2.gz CHNOHVAZYMCQQC-NSHDSACASA-N 0 3 230.352 1.260 10 70 BDIEHN CC[C@@H](CCO)NCc1ccnc(C)n1 ZINC000217715845 134250698 /nfs/dbraw/zinc/25/06/98/134250698.db2.gz PNECNCBUSWKCJD-JTQLQIEISA-N 0 3 209.293 1.036 10 70 BDIEHN CC(C)OC(=O)NC[C@H](C)N(C)C1CC1 ZINC000217757756 388572132 /nfs/dbraw/zinc/57/21/32/388572132.db2.gz QVZIHQDBISXJPW-VIFPVBQESA-N 0 3 214.309 1.604 10 70 BDIEHN CCC[C@H](C(=O)NC[C@@H]1CCCO1)N(C)C ZINC000161141246 323148981 /nfs/dbraw/zinc/14/89/81/323148981.db2.gz HLEZYZRLVBDZHP-WDEREUQCSA-N 0 3 228.336 1.012 10 70 BDIEHN CCC(CC)NC(=O)[C@@]1(C)CCCCN1 ZINC000159553421 168382920 /nfs/dbraw/zinc/38/29/20/168382920.db2.gz LMDJCMLVSSIVRW-GFCCVEGCSA-N 0 3 212.337 1.823 10 70 BDIEHN CCC[C@H](C(=O)NCCCOCC)N(C)C ZINC000161190747 323162803 /nfs/dbraw/zinc/16/28/03/323162803.db2.gz CHNOHVAZYMCQQC-LLVKDONJSA-N 0 3 230.352 1.260 10 70 BDIEHN Cn1nccc1C1CCN(C[C@@H]2CCCO2)CC1 ZINC000160517685 349057013 /nfs/dbraw/zinc/05/70/13/349057013.db2.gz IPQZNZUQIJMCCB-ZDUSSCGKSA-N 0 3 249.358 1.779 10 70 BDIEHN CN(C)CCNc1ncc(F)cc1F ZINC000160368898 356489341 /nfs/dbraw/zinc/48/93/41/356489341.db2.gz DLOGRJNWYCZWOJ-UHFFFAOYSA-N 0 3 201.220 1.333 10 70 BDIEHN CC[C@H](CCO)NCc1ccnc(C)n1 ZINC000217715926 134250349 /nfs/dbraw/zinc/25/03/49/134250349.db2.gz PNECNCBUSWKCJD-SNVBAGLBSA-N 0 3 209.293 1.036 10 70 BDIEHN CCC[C@@H](C(=O)N1CCC[C@@H](C)C1)N(C)C ZINC000161151200 323149168 /nfs/dbraw/zinc/14/91/68/323149168.db2.gz BNMMEVZRNBSWBI-NEPJUHHUSA-N 0 3 226.364 1.975 10 70 BDIEHN C[C@@]1(C(=O)Nc2nccs2)CCCCN1 ZINC000159548127 361251370 /nfs/dbraw/zinc/25/13/70/361251370.db2.gz WPZWTEKUVIPZTG-JTQLQIEISA-N 0 3 225.317 1.614 10 70 BDIEHN CCC[C@@H](C(=O)N(C)Cc1cccnc1)N(C)C ZINC000161226926 169343158 /nfs/dbraw/zinc/34/31/58/169343158.db2.gz NJXNKQLEUGDUSS-ZDUSSCGKSA-N 0 3 249.358 1.770 10 70 BDIEHN CCC[C@@H](C(=O)NCCc1ccccn1)N(C)C ZINC000161182496 323150921 /nfs/dbraw/zinc/15/09/21/323150921.db2.gz QUJPVRHQIDFQMN-ZDUSSCGKSA-N 0 3 249.358 1.471 10 70 BDIEHN CCC[C@H](C(=O)N[C@@H](C)c1cccnc1)N(C)C ZINC000161267739 349412283 /nfs/dbraw/zinc/41/22/83/349412283.db2.gz MYDGCEMUDBSRPR-WCQYABFASA-N 0 3 249.358 1.989 10 70 BDIEHN CCn1cnnc1[C@@H]1CCCN(C(C)C)C1 ZINC000161421901 349443520 /nfs/dbraw/zinc/44/35/20/349443520.db2.gz XOXCHCOTJFLHKM-LLVKDONJSA-N 0 3 222.336 1.886 10 70 BDIEHN CCC[C@H](C(=O)N1CCCCC1)N(C)C ZINC000161131290 323148784 /nfs/dbraw/zinc/14/87/84/323148784.db2.gz PJPRWCYJGASYIX-LLVKDONJSA-N 0 3 212.337 1.729 10 70 BDIEHN CCC[C@@H](C(=O)N[C@@H](C)CC)N(C)C ZINC000161133097 323148879 /nfs/dbraw/zinc/14/88/79/323148879.db2.gz SEZMJUVOTZFTRU-UWVGGRQHSA-N 0 3 200.326 1.631 10 70 BDIEHN CCC[C@@H](C(=O)N1C[C@@H](C)O[C@@H](C)C1)N(C)C ZINC000161135620 323148970 /nfs/dbraw/zinc/14/89/70/323148970.db2.gz OEFINLWGVNBLFF-TUAOUCFPSA-N 0 3 242.363 1.353 10 70 BDIEHN CCC(CC)(CN)C(=O)/N=c1/sccn1C ZINC000161260469 168322019 /nfs/dbraw/zinc/32/20/19/168322019.db2.gz AHTJLWKYLWOVDH-JLHYYAGUSA-N 0 3 241.360 1.279 10 70 BDIEHN CCCCNC(=O)[C@@H](CCC)N(C)C ZINC000161155362 323149539 /nfs/dbraw/zinc/14/95/39/323149539.db2.gz OSZHMQCBPHWBJG-SNVBAGLBSA-N 0 3 200.326 1.633 10 70 BDIEHN Cn1nccc1C1CCN(C[C@H]2CCCO2)CC1 ZINC000160517811 349060618 /nfs/dbraw/zinc/06/06/18/349060618.db2.gz IPQZNZUQIJMCCB-CYBMUJFWSA-N 0 3 249.358 1.779 10 70 BDIEHN CCC[C@H](C(=O)NCc1cccnc1)N(C)C ZINC000161158830 384469820 /nfs/dbraw/zinc/46/98/20/384469820.db2.gz RKOXUYXZTFZDGS-GFCCVEGCSA-N 0 3 235.331 1.428 10 70 BDIEHN C[C@H]1CN(CCOCC2CC2)CCS1 ZINC000160582008 388075398 /nfs/dbraw/zinc/07/53/98/388075398.db2.gz SRRZBYMJKHARSX-JTQLQIEISA-N 0 3 215.362 1.850 10 70 BDIEHN CCn1cnnc1[C@@H]1CCCN(CCOC)C1 ZINC000161275830 349414222 /nfs/dbraw/zinc/41/42/22/349414222.db2.gz MMJNPOKJHIVATQ-LLVKDONJSA-N 0 3 238.335 1.124 10 70 BDIEHN CSCCCNC(=O)[C@@]1(C)CCCCN1 ZINC000159561280 361255994 /nfs/dbraw/zinc/25/59/94/361255994.db2.gz MKTRCVWSQXYPMG-LLVKDONJSA-N 0 3 230.377 1.388 10 70 BDIEHN C[C@@H](CNC1=NCCS1)N1CCCC1 ZINC000161432014 369060197 /nfs/dbraw/zinc/06/01/97/369060197.db2.gz WQRACWKQCORDJL-VIFPVBQESA-N 0 3 213.350 1.163 10 70 BDIEHN CSC(C)(C)CNCc1cnn(C)c1C ZINC000160161664 388049441 /nfs/dbraw/zinc/04/94/41/388049441.db2.gz GJMJSMWRXPZXRH-UHFFFAOYSA-N 0 3 227.377 1.960 10 70 BDIEHN CCC[C@@H](C(=O)NCCC(C)C)N(C)C ZINC000161164684 323149612 /nfs/dbraw/zinc/14/96/12/323149612.db2.gz UXCLRRYIABHNDJ-NSHDSACASA-N 0 3 214.353 1.879 10 70 BDIEHN CCC[C@@H](C(=O)N1CCCCC1)N(C)C ZINC000161131135 323148666 /nfs/dbraw/zinc/14/86/66/323148666.db2.gz PJPRWCYJGASYIX-NSHDSACASA-N 0 3 212.337 1.729 10 70 BDIEHN c1cc(C2CCN(C[C@@H]3CCCO3)CC2)n[nH]1 ZINC000160534679 349110538 /nfs/dbraw/zinc/11/05/38/349110538.db2.gz BGMSZDBOHVGAJD-LBPRGKRZSA-N 0 3 235.331 1.768 10 70 BDIEHN CCC[C@H](C(=O)NCc1ccncc1)N(C)C ZINC000161158274 384470125 /nfs/dbraw/zinc/47/01/25/384470125.db2.gz BCQXDGWCXQAVGE-GFCCVEGCSA-N 0 3 235.331 1.428 10 70 BDIEHN CCC[C@@H](C(=O)N[C@H](C)CC)N(C)C ZINC000161133335 323148920 /nfs/dbraw/zinc/14/89/20/323148920.db2.gz SEZMJUVOTZFTRU-ZJUUUORDSA-N 0 3 200.326 1.631 10 70 BDIEHN CCC[C@@H](C)NC(=O)[C@]1(C)CCCCN1 ZINC000159553840 488056165 /nfs/dbraw/zinc/05/61/65/488056165.db2.gz CXCHIEMZXOQIPT-PWSUYJOCSA-N 0 3 212.337 1.823 10 70 BDIEHN CCN1CCC[C@@H](NC(=O)NC2(C)CCC2)C1 ZINC000159885580 323051876 /nfs/dbraw/zinc/05/18/76/323051876.db2.gz VRTZIGOBLXFJGF-LLVKDONJSA-N 0 3 239.363 1.713 10 70 BDIEHN CC(C)CCNC(=O)[C@@]1(C)CCCCN1 ZINC000159550943 388020883 /nfs/dbraw/zinc/02/08/83/388020883.db2.gz GUKFNUMDXFTVFJ-GFCCVEGCSA-N 0 3 212.337 1.681 10 70 BDIEHN Cc1cnccc1CN[C@H]1CCO[C@@H]1C ZINC000160592820 388077823 /nfs/dbraw/zinc/07/78/23/388077823.db2.gz GAWABCHKWYYYPR-PWSUYJOCSA-N 0 3 206.289 1.657 10 70 BDIEHN CCN(CCNC(=O)OC(C)C)C1CC1 ZINC000217755794 388572322 /nfs/dbraw/zinc/57/23/22/388572322.db2.gz NYTXAKXCGUHJBJ-UHFFFAOYSA-N 0 3 214.309 1.605 10 70 BDIEHN CCC[C@@H](C(=O)NCc1ccccn1)N(C)C ZINC000161157827 323075893 /nfs/dbraw/zinc/07/58/93/323075893.db2.gz BEGSINXQVDGDBY-LBPRGKRZSA-N 0 3 235.331 1.428 10 70 BDIEHN Cn1ccnc1CN1CCC(c2ccn[nH]2)CC1 ZINC000160901050 358999177 /nfs/dbraw/zinc/99/91/77/358999177.db2.gz ABJHISGCIXRQIT-UHFFFAOYSA-N 0 3 245.330 1.523 10 70 BDIEHN CCC[C@H](C(=O)N1C[C@@H](C)O[C@@H](C)C1)N(C)C ZINC000161135779 323149042 /nfs/dbraw/zinc/14/90/42/323149042.db2.gz OEFINLWGVNBLFF-GRYCIOLGSA-N 0 3 242.363 1.353 10 70 BDIEHN CCn1cnnc1[C@@H]1CCCN(CC)C1 ZINC000161274476 349413383 /nfs/dbraw/zinc/41/33/83/349413383.db2.gz MGVFAXYOWFAPAP-SNVBAGLBSA-N 0 3 208.309 1.497 10 70 BDIEHN Cc1ccc([O-])c(CN2C[C@H]([NH+](C)C)[C@@H](C)C2)n1 ZINC000217747433 385891344 /nfs/dbraw/zinc/89/13/44/385891344.db2.gz CMXQJJNMQROHPL-GWCFXTLKSA-N 0 3 249.358 1.478 10 70 BDIEHN CCC(CC)CNC(=O)N1CC[C@@H](N(C)C)C1 ZINC000160565504 357070278 /nfs/dbraw/zinc/07/02/78/357070278.db2.gz AZQMVHKLCQCULQ-GFCCVEGCSA-N 0 3 241.379 1.768 10 70 BDIEHN C[C@@H](CNc1nncs1)N1CCCC1 ZINC000161289776 363923460 /nfs/dbraw/zinc/92/34/60/363923460.db2.gz GAAZSGHZMQBWIU-QMMMGPOBSA-N 0 3 212.322 1.434 10 70 BDIEHN CN[C@H](C)C(=O)Nc1c(C)cccc1F ZINC000160323205 323064843 /nfs/dbraw/zinc/06/48/43/323064843.db2.gz WKOBZUNKTZVBSE-MRVPVSSYSA-N 0 3 210.252 1.681 10 70 BDIEHN CCC(CC)NC(=O)[C@]1(C)CCCCN1 ZINC000159553312 168384779 /nfs/dbraw/zinc/38/47/79/168384779.db2.gz LMDJCMLVSSIVRW-LBPRGKRZSA-N 0 3 212.337 1.823 10 70 BDIEHN CCC[C@H](C(=O)N(C)Cc1ccco1)N(C)C ZINC000160831530 384439387 /nfs/dbraw/zinc/43/93/87/384439387.db2.gz WNFBYAFPGJHJCC-GFCCVEGCSA-N 0 3 238.331 1.968 10 70 BDIEHN Cc1ccc([O-])c(CN2C[C@@H](C)[C@@H]([NH+](C)C)C2)n1 ZINC000217747356 385890748 /nfs/dbraw/zinc/89/07/48/385890748.db2.gz CMXQJJNMQROHPL-MFKMUULPSA-N 0 3 249.358 1.478 10 70 BDIEHN CC(C)CCNC(=O)[C@]1(C)CCCCN1 ZINC000159550806 166856180 /nfs/dbraw/zinc/85/61/80/166856180.db2.gz GUKFNUMDXFTVFJ-LBPRGKRZSA-N 0 3 212.337 1.681 10 70 BDIEHN COc1cc(O)cc2c1[C@@H](C)N[C@H](C)C2 ZINC000218047648 175006411 /nfs/dbraw/zinc/00/64/11/175006411.db2.gz RNCDEHUVRUVRIQ-HTQZYQBOSA-N 0 3 207.273 1.996 10 70 BDIEHN COc1cc(O)cc2c1[C@@H](C)N[C@@H](C)C2 ZINC000218047718 175006495 /nfs/dbraw/zinc/00/64/95/175006495.db2.gz RNCDEHUVRUVRIQ-JGVFFNPUSA-N 0 3 207.273 1.996 10 70 BDIEHN CCS(=O)(=O)NC[C@H]1CCCN1CC(C)C ZINC000160262167 323064598 /nfs/dbraw/zinc/06/45/98/323064598.db2.gz NFEXVOUDCAXANF-LLVKDONJSA-N 0 3 248.392 1.046 10 70 BDIEHN CCC[C@H](C(=O)NCCc1ccccn1)N(C)C ZINC000161182613 323150935 /nfs/dbraw/zinc/15/09/35/323150935.db2.gz QUJPVRHQIDFQMN-CYBMUJFWSA-N 0 3 249.358 1.471 10 70 BDIEHN CSCCCNC(=O)[C@]1(C)CCCCN1 ZINC000159561423 345442829 /nfs/dbraw/zinc/44/28/29/345442829.db2.gz MKTRCVWSQXYPMG-NSHDSACASA-N 0 3 230.377 1.388 10 70 BDIEHN NC(=S)[C@H]1CCCN1Cc1cncs1 ZINC000159619914 350953414 /nfs/dbraw/zinc/95/34/14/350953414.db2.gz PAIDCUKSNNHFRV-MRVPVSSYSA-N 0 3 227.358 1.394 10 70 BDIEHN CCC[C@@H]1CN=C(N[C@@H]2CCOC2)S1 ZINC000218109189 372062942 /nfs/dbraw/zinc/06/29/42/372062942.db2.gz YPGLKBBRLXIRGT-RKDXNWHRSA-N 0 3 214.334 1.636 10 70 BDIEHN CCC[C@@H](C(=O)N(C)Cc1ccncc1)N(C)C ZINC000161393252 169342836 /nfs/dbraw/zinc/34/28/36/169342836.db2.gz JNHDEULCXLFPQP-ZDUSSCGKSA-N 0 3 249.358 1.770 10 70 BDIEHN Cc1ccnc(NC[C@H](O)CN2CCCCC2)c1 ZINC000161341803 384482053 /nfs/dbraw/zinc/48/20/53/384482053.db2.gz PSSQUWCUAJCVPV-ZDUSSCGKSA-N 0 3 249.358 1.649 10 70 BDIEHN CCCCNC(=O)[C@H](CCC)N(C)C ZINC000161155494 323149469 /nfs/dbraw/zinc/14/94/69/323149469.db2.gz OSZHMQCBPHWBJG-JTQLQIEISA-N 0 3 200.326 1.633 10 70 BDIEHN CCC[C@@H](C(=O)N[C@H](C)c1cccnc1)N(C)C ZINC000161267832 349412399 /nfs/dbraw/zinc/41/23/99/349412399.db2.gz MYDGCEMUDBSRPR-YPMHNXCESA-N 0 3 249.358 1.989 10 70 BDIEHN CN[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000217597743 357909051 /nfs/dbraw/zinc/90/90/51/357909051.db2.gz YLDCMDHQRJBMDD-LMLFDSFASA-N 0 3 212.337 1.535 10 70 BDIEHN C[C@H](CNc1ncns1)N1CCCC1 ZINC000161323975 364686496 /nfs/dbraw/zinc/68/64/96/364686496.db2.gz XVOHHNMMUVDEAU-MRVPVSSYSA-N 0 3 212.322 1.434 10 70 BDIEHN CCC[C@@H](C(=O)NCc1ccncc1)N(C)C ZINC000161158195 169344973 /nfs/dbraw/zinc/34/49/73/169344973.db2.gz BCQXDGWCXQAVGE-LBPRGKRZSA-N 0 3 235.331 1.428 10 70 BDIEHN CCC[C@@H](C(=O)N[C@H](C)C(C)C)N(C)C ZINC000161398038 387210134 /nfs/dbraw/zinc/21/01/34/387210134.db2.gz CLEXALAQBOOPCA-MNOVXSKESA-N 0 3 214.353 1.877 10 70 BDIEHN Cn1cc([C@@H]2CCCN2CCOCC2CC2)cn1 ZINC000160519828 388071808 /nfs/dbraw/zinc/07/18/08/388071808.db2.gz JKVJUCVWBQNFSA-AWEZNQCLSA-N 0 3 249.358 1.984 10 70 BDIEHN CCC[C@H](C(=O)N[C@H](C)c1cccnc1)N(C)C ZINC000161267957 349412231 /nfs/dbraw/zinc/41/22/31/349412231.db2.gz MYDGCEMUDBSRPR-DGCLKSJQSA-N 0 3 249.358 1.989 10 70 BDIEHN Cc1cnccc1CN[C@@H]1CCO[C@H]1C ZINC000160592941 361321509 /nfs/dbraw/zinc/32/15/09/361321509.db2.gz GAWABCHKWYYYPR-CMPLNLGQSA-N 0 3 206.289 1.657 10 70 BDIEHN CCC[C@@H](C(=O)N(C)Cc1ccco1)N(C)C ZINC000160831387 169342549 /nfs/dbraw/zinc/34/25/49/169342549.db2.gz WNFBYAFPGJHJCC-LBPRGKRZSA-N 0 3 238.331 1.968 10 70 BDIEHN CCC[C@H](C(=O)N(C)Cc1cccnc1)N(C)C ZINC000161227042 384477206 /nfs/dbraw/zinc/47/72/06/384477206.db2.gz NJXNKQLEUGDUSS-CYBMUJFWSA-N 0 3 249.358 1.770 10 70 BDIEHN CCC[C@H](C(=O)N[C@H](C)C(C)C)N(C)C ZINC000161398173 387208926 /nfs/dbraw/zinc/20/89/26/387208926.db2.gz CLEXALAQBOOPCA-GHMZBOCLSA-N 0 3 214.353 1.877 10 70 BDIEHN CCC[C@@H](C(=O)NC[C@@H]1CCCO1)N(C)C ZINC000161141125 323149024 /nfs/dbraw/zinc/14/90/24/323149024.db2.gz HLEZYZRLVBDZHP-QWRGUYRKSA-N 0 3 228.336 1.012 10 70 BDIEHN c1csc(N[C@H]2CCN3CCC[C@@H]23)n1 ZINC000217355307 346483928 /nfs/dbraw/zinc/48/39/28/346483928.db2.gz PGOXLSBRTIWMEU-IUCAKERBSA-N 0 3 209.318 1.792 10 70 BDIEHN CCC[C@@H](C(=O)NC[C@H]1CCCO1)N(C)C ZINC000161141354 323149051 /nfs/dbraw/zinc/14/90/51/323149051.db2.gz HLEZYZRLVBDZHP-MNOVXSKESA-N 0 3 228.336 1.012 10 70 BDIEHN CCC[C@@H](N)C(=O)Nc1cc(CC)[nH]n1 ZINC000159465440 488032739 /nfs/dbraw/zinc/03/27/39/488032739.db2.gz WYSMPILIGPATQQ-MRVPVSSYSA-N 0 3 210.281 1.038 10 70 BDIEHN C[C@@H](N)C(=O)Nc1cnn(-c2ccccc2F)c1 ZINC000161073516 349367077 /nfs/dbraw/zinc/36/70/77/349367077.db2.gz GONDALPHYFOLHX-MRVPVSSYSA-N 0 3 248.261 1.297 10 70 BDIEHN CCn1cnnc1[C@H]1CCCN(CCOC)C1 ZINC000161275962 349414160 /nfs/dbraw/zinc/41/41/60/349414160.db2.gz MMJNPOKJHIVATQ-NSHDSACASA-N 0 3 238.335 1.124 10 70 BDIEHN C[C@H](N)C(=O)Nc1cnn(-c2ccccc2F)c1 ZINC000161073267 133511839 /nfs/dbraw/zinc/51/18/39/133511839.db2.gz GONDALPHYFOLHX-QMMMGPOBSA-N 0 3 248.261 1.297 10 70 BDIEHN CCC[C@@H](C(=O)NCC(C)C)N(C)C ZINC000161175548 323075842 /nfs/dbraw/zinc/07/58/42/323075842.db2.gz RQKCVHLAZZYYHK-JTQLQIEISA-N 0 3 200.326 1.489 10 70 BDIEHN CCC[C@H](C(=O)NCc1ccccn1)N(C)C ZINC000161157941 323149481 /nfs/dbraw/zinc/14/94/81/323149481.db2.gz BEGSINXQVDGDBY-GFCCVEGCSA-N 0 3 235.331 1.428 10 70 BDIEHN CCC[C@H](C)NC(=O)[C@@]1(C)CCCCN1 ZINC000159554246 488055682 /nfs/dbraw/zinc/05/56/82/488055682.db2.gz CXCHIEMZXOQIPT-CMPLNLGQSA-N 0 3 212.337 1.823 10 70 BDIEHN C[C@H](CNc1nncs1)N1CCCC1 ZINC000161289895 346483517 /nfs/dbraw/zinc/48/35/17/346483517.db2.gz GAAZSGHZMQBWIU-MRVPVSSYSA-N 0 3 212.322 1.434 10 70 BDIEHN Cc1cnccc1CN[C@H]1CCO[C@H]1C ZINC000160593070 361321142 /nfs/dbraw/zinc/32/11/42/361321142.db2.gz GAWABCHKWYYYPR-JQWIXIFHSA-N 0 3 206.289 1.657 10 70 BDIEHN Cc1ccnc(NC[C@@H](O)CN2CCCCC2)c1 ZINC000161341910 384483359 /nfs/dbraw/zinc/48/33/59/384483359.db2.gz PSSQUWCUAJCVPV-CYBMUJFWSA-N 0 3 249.358 1.649 10 70 BDIEHN CCC[C@H](C(=O)N(CC)CC)N(C)C ZINC000161435521 387211542 /nfs/dbraw/zinc/21/15/42/387211542.db2.gz GVMCJMHIGWZHIF-SNVBAGLBSA-N 0 3 200.326 1.585 10 70 BDIEHN CCN1CCC[C@H](NC(=O)NC2(C)CCC2)C1 ZINC000159885452 323052006 /nfs/dbraw/zinc/05/20/06/323052006.db2.gz VRTZIGOBLXFJGF-NSHDSACASA-N 0 3 239.363 1.713 10 70 BDIEHN CC[C@H](O)CCNCc1ccnc(C)n1 ZINC000218766934 535976821 /nfs/dbraw/zinc/97/68/21/535976821.db2.gz MSMSLGXIBFFMKR-NSHDSACASA-N 0 3 209.293 1.036 10 70 BDIEHN CCC[C@@H](C(=O)N[C@@H](C)c1cccnc1)N(C)C ZINC000161267642 349412260 /nfs/dbraw/zinc/41/22/60/349412260.db2.gz MYDGCEMUDBSRPR-AAEUAGOBSA-N 0 3 249.358 1.989 10 70 BDIEHN C[C@@H](CNc1ncns1)N1CCCC1 ZINC000161323849 364686577 /nfs/dbraw/zinc/68/65/77/364686577.db2.gz XVOHHNMMUVDEAU-QMMMGPOBSA-N 0 3 212.322 1.434 10 70 BDIEHN CCC[C@@H](C(=O)NCc1cccnc1)N(C)C ZINC000161158723 169345481 /nfs/dbraw/zinc/34/54/81/169345481.db2.gz RKOXUYXZTFZDGS-LBPRGKRZSA-N 0 3 235.331 1.428 10 70 BDIEHN CCC[C@H](C(=O)NCc1ccco1)N(C)C ZINC000161130867 384466795 /nfs/dbraw/zinc/46/67/95/384466795.db2.gz ZRGFFFKHIQUWDT-LLVKDONJSA-N 0 3 224.304 1.626 10 70 BDIEHN CCC[C@@H](C(=O)N[C@@H](C)C(C)C)N(C)C ZINC000161397768 387210356 /nfs/dbraw/zinc/21/03/56/387210356.db2.gz CLEXALAQBOOPCA-QWRGUYRKSA-N 0 3 214.353 1.877 10 70 BDIEHN CCC[C@@H](C(=O)N1CCC[C@H](C)C1)N(C)C ZINC000161150947 323075870 /nfs/dbraw/zinc/07/58/70/323075870.db2.gz BNMMEVZRNBSWBI-RYUDHWBXSA-N 0 3 226.364 1.975 10 70 BDIEHN c1csc(N[C@@H]2CCN3CCC[C@@H]23)n1 ZINC000217355223 346472493 /nfs/dbraw/zinc/47/24/93/346472493.db2.gz PGOXLSBRTIWMEU-BDAKNGLRSA-N 0 3 209.318 1.792 10 70 BDIEHN CCC[C@H](C(=O)N1CCC(C)CC1)N(C)C ZINC000161187768 323151345 /nfs/dbraw/zinc/15/13/45/323151345.db2.gz QOMNNRHQGPTTGI-GFCCVEGCSA-N 0 3 226.364 1.975 10 70 BDIEHN C[C@H](O)CCN1CCO[C@@H]2CCCC[C@H]21 ZINC000216977024 134187582 /nfs/dbraw/zinc/18/75/82/134187582.db2.gz GYXBIYYXXHTZNT-QJPTWQEYSA-N 0 3 213.321 1.401 10 70 BDIEHN CCC[C@H](C(=O)NCC(C)C)N(C)C ZINC000161175670 323150119 /nfs/dbraw/zinc/15/01/19/323150119.db2.gz RQKCVHLAZZYYHK-SNVBAGLBSA-N 0 3 200.326 1.489 10 70 BDIEHN CCC(CC)CNC(=O)N1CC[C@H](N(C)C)C1 ZINC000160565375 346457933 /nfs/dbraw/zinc/45/79/33/346457933.db2.gz AZQMVHKLCQCULQ-LBPRGKRZSA-N 0 3 241.379 1.768 10 70 BDIEHN CCC[C@H](C(=O)N[C@@H](C)CC)N(C)C ZINC000161133219 323148927 /nfs/dbraw/zinc/14/89/27/323148927.db2.gz SEZMJUVOTZFTRU-VHSXEESVSA-N 0 3 200.326 1.631 10 70 BDIEHN CCC[C@@H]1CN=C(N[C@H]2CCOC2)S1 ZINC000218109330 372062786 /nfs/dbraw/zinc/06/27/86/372062786.db2.gz YPGLKBBRLXIRGT-DTWKUNHWSA-N 0 3 214.334 1.636 10 70 BDIEHN CCC[C@H](C(=O)NC[C@H]1CCCO1)N(C)C ZINC000161141475 323149032 /nfs/dbraw/zinc/14/90/32/323149032.db2.gz HLEZYZRLVBDZHP-GHMZBOCLSA-N 0 3 228.336 1.012 10 70 BDIEHN c1cc(C2CCN(C[C@H]3CCCO3)CC2)n[nH]1 ZINC000160534784 349111127 /nfs/dbraw/zinc/11/11/27/349111127.db2.gz BGMSZDBOHVGAJD-GFCCVEGCSA-N 0 3 235.331 1.768 10 70 BDIEHN C[C@H](CNC1=NCCS1)N1CCCC1 ZINC000161432140 369060628 /nfs/dbraw/zinc/06/06/28/369060628.db2.gz WQRACWKQCORDJL-SECBINFHSA-N 0 3 213.350 1.163 10 70 BDIEHN CCC[C@H](N)C(=O)Nc1cc(CC)[nH]n1 ZINC000159465310 488032443 /nfs/dbraw/zinc/03/24/43/488032443.db2.gz WYSMPILIGPATQQ-QMMMGPOBSA-N 0 3 210.281 1.038 10 70 BDIEHN CCC[C@@H](C(=O)N(CC)CC)N(C)C ZINC000161435392 387211590 /nfs/dbraw/zinc/21/15/90/387211590.db2.gz GVMCJMHIGWZHIF-JTQLQIEISA-N 0 3 200.326 1.585 10 70 BDIEHN CCC[C@@H](C(=O)NCC(F)(F)F)N(C)C ZINC000161437701 323075984 /nfs/dbraw/zinc/07/59/84/323075984.db2.gz OKHLSGCUROVBSC-ZETCQYMHSA-N 0 3 226.242 1.395 10 70 BDIEHN