smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)C[N@@H+]1CC[C@@H](CN(C)c2cc(=O)[n-]cn2)C1 ZINC000821246015 925575132 /nfs/dbraw/zinc/57/51/32/925575132.db2.gz GWZGANPOVZPNQK-LBPRGKRZSA-N 0 3 264.373 1.596 50 0 CDAAHN CC(C)C[N@H+]1CC[C@@H](CN(C)c2cc(=O)[n-]cn2)C1 ZINC000821246015 925575136 /nfs/dbraw/zinc/57/51/36/925575136.db2.gz GWZGANPOVZPNQK-LBPRGKRZSA-N 0 3 264.373 1.596 50 0 CDAAHN CCCc1cnc(C)nc1NC1CCN(CCO)CC1 ZINC000823012084 925661775 /nfs/dbraw/zinc/66/17/75/925661775.db2.gz ZXEOHRXNNIYDHC-UHFFFAOYSA-N 0 3 278.400 1.606 50 0 CDAAHN COCC1CCN(C(=O)CN2CCCCCC2)CC1 ZINC000824371009 925819486 /nfs/dbraw/zinc/81/94/86/925819486.db2.gz LFKMRWJWOHXBDE-UHFFFAOYSA-N 0 3 268.401 1.747 50 0 CDAAHN COc1cccc([C@@H](C)N(C)CCn2cnnc2)c1 ZINC001529189140 969009966 /nfs/dbraw/zinc/00/99/66/969009966.db2.gz IGKWRYPIIGXHRA-GFCCVEGCSA-N 0 3 260.341 1.980 50 0 CDAAHN c1ccc(CNC[C@H]2COC3(CCOCC3)O2)nc1 ZINC000095991140 185058416 /nfs/dbraw/zinc/05/84/16/185058416.db2.gz FHHJTHUCRZAPMT-ZDUSSCGKSA-N 0 3 264.325 1.093 50 0 CDAAHN O[C@@H](CN1CCC(n2ccnn2)CC1)c1ccc(F)cc1 ZINC000095994228 185059375 /nfs/dbraw/zinc/05/93/75/185059375.db2.gz YWOQQAHOVZPLNE-HNNXBMFYSA-N 0 3 290.342 1.788 50 0 CDAAHN CC(C)(C)OC(=O)NC[C@H](O)CNCc1ccccc1 ZINC000096675810 342173225 /nfs/dbraw/zinc/17/32/25/342173225.db2.gz YCTJTEUCQCEJNN-CYBMUJFWSA-N 0 3 280.368 1.662 50 0 CDAAHN O=C(c1ccc(CN2CCC(O)CC2)cc1)N1CCCC1 ZINC000032869443 539135503 /nfs/dbraw/zinc/13/55/03/539135503.db2.gz PKFJQTHKENJCLF-UHFFFAOYSA-N 0 3 288.391 1.879 50 0 CDAAHN COC(=O)C(C)(C)CN[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000095940758 290863016 /nfs/dbraw/zinc/86/30/16/290863016.db2.gz CMUFVEOSXRYYBA-QWRGUYRKSA-N 0 3 291.413 1.131 50 0 CDAAHN CCN1CCCC[C@H]1CNC(=O)c1c(C)cc(C)[nH]c1=O ZINC000073555707 349169871 /nfs/dbraw/zinc/16/98/71/349169871.db2.gz RVUFXLSTCCLTNI-ZDUSSCGKSA-N 0 3 291.395 1.596 50 0 CDAAHN Cc1cc(O)ccc1C(=O)NCCN1CCC[C@@H](CO)C1 ZINC000584884532 349342265 /nfs/dbraw/zinc/34/22/65/349342265.db2.gz KCAHCGUXJJIEPS-CYBMUJFWSA-N 0 3 292.379 1.135 50 0 CDAAHN COCCN1CC[C@@H](CN(C)C(=O)Cc2ccncc2)C1 ZINC000584886683 349344886 /nfs/dbraw/zinc/34/48/86/349344886.db2.gz QCUIJVOUOQVVPC-HNNXBMFYSA-N 0 3 291.395 1.051 50 0 CDAAHN c1cc(-c2nnc(CN[C@@H]3CCCOC3)[nH]2)ccn1 ZINC000584896936 349358328 /nfs/dbraw/zinc/35/83/28/349358328.db2.gz LNDRJMFVQQAUDR-LLVKDONJSA-N 0 3 259.313 1.135 50 0 CDAAHN COCCn1cncc1CNC1CSCCSC1 ZINC000584889636 349348726 /nfs/dbraw/zinc/34/87/26/349348726.db2.gz DWJZUBSHINBWMW-UHFFFAOYSA-N 0 3 287.454 1.468 50 0 CDAAHN CCN1CCCN(C(=O)[C@@H]2CC(C(C)C)=NO2)CC1 ZINC000584897651 349358869 /nfs/dbraw/zinc/35/88/69/349358869.db2.gz LKFZFFICOFQCGL-ZDUSSCGKSA-N 0 3 267.373 1.342 50 0 CDAAHN CC(C)(CN1CCCC1)NC(=O)c1cnc(N)s1 ZINC000584894660 349355287 /nfs/dbraw/zinc/35/52/87/349355287.db2.gz LEAXUWDITVMNOJ-UHFFFAOYSA-N 0 3 268.386 1.160 50 0 CDAAHN CN(C)C[C@H]1CSCCCN1C(=O)C(C)(C)C ZINC000090699752 180027884 /nfs/dbraw/zinc/02/78/84/180027884.db2.gz USURIPCUOHKPLI-NSHDSACASA-N 0 3 258.431 1.928 50 0 CDAAHN O[C@@]1(CN[C@@H]2CCSc3ccccc32)CCOC1 ZINC000090848009 180044652 /nfs/dbraw/zinc/04/46/52/180044652.db2.gz PWWOPMHLPUYEJZ-TZMCWYRMSA-N 0 3 265.378 1.965 50 0 CDAAHN COc1ccc(C)cc1[C@H](C)NC[C@@]1(O)CCOC1 ZINC000090849775 180045961 /nfs/dbraw/zinc/04/59/61/180045961.db2.gz AQLJOPHKDKBOMC-WFASDCNBSA-N 0 3 265.353 1.806 50 0 CDAAHN CC(C)Oc1ccccc1CNC[C@@H]1CN(C)CCO1 ZINC000105472549 186058522 /nfs/dbraw/zinc/05/85/22/186058522.db2.gz LLDDYCUCGRWZRW-OAHLLOKOSA-N 0 3 278.396 1.894 50 0 CDAAHN Cn1cncc1CN[C@H]1CCN(c2ccccc2)C1 ZINC000106475781 186119656 /nfs/dbraw/zinc/11/96/56/186119656.db2.gz WFHVFLRKJQGIIT-ZDUSSCGKSA-N 0 3 256.353 1.789 50 0 CDAAHN CC[C@@H]1CC(C(=O)Nc2ccccc2OC)C(=O)O1 ZINC000005476699 363300225 /nfs/dbraw/zinc/30/02/25/363300225.db2.gz WUELROXIMRLYLZ-NXEZZACHSA-N 0 3 263.293 1.975 50 0 CDAAHN OCCOCCNCc1ccccc1C(F)(F)F ZINC000057358768 357355523 /nfs/dbraw/zinc/35/55/23/357355523.db2.gz ZNELJBXUUNOZOC-UHFFFAOYSA-N 0 3 263.259 1.804 50 0 CDAAHN CCSCCN1CC=C(c2cnn(CCO)c2)CC1 ZINC000065388099 357535148 /nfs/dbraw/zinc/53/51/48/357535148.db2.gz XFEMKNDPNXXPNO-UHFFFAOYSA-N 0 3 281.425 1.718 50 0 CDAAHN CCN(C(=O)CCN[C@H](C(N)=O)C(C)C)c1ccccc1 ZINC000065432730 357541637 /nfs/dbraw/zinc/54/16/37/357541637.db2.gz RMMGZIKQTRFLLG-HNNXBMFYSA-N 0 3 291.395 1.529 50 0 CDAAHN COCCN1CC[C@H](CNC(=O)c2ccsc2)C1 ZINC000068494986 357649262 /nfs/dbraw/zinc/64/92/62/357649262.db2.gz GNTJUYUKRZZUCJ-LLVKDONJSA-N 0 3 268.382 1.446 50 0 CDAAHN Cc1ncc(CO)c(CN2CC[C@@]3(C2)CCC[NH2+]C3)c1[O-] ZINC000067895942 357636472 /nfs/dbraw/zinc/63/64/72/357636472.db2.gz LWAVPRWBOFHXPM-INIZCTEOSA-N 0 3 291.395 1.163 50 0 CDAAHN OC[C@@]1(O)CCCN(Cc2c[nH]nc2-c2ccccc2)C1 ZINC000072430623 357835133 /nfs/dbraw/zinc/83/51/33/357835133.db2.gz WAQNQLRSSHSXSV-MRXNPFEDSA-N 0 3 287.363 1.396 50 0 CDAAHN Cc1nc(C)c(C(=O)N(CCN(C)C)C[C@@H]2CCCO2)o1 ZINC000073427114 357879821 /nfs/dbraw/zinc/87/98/21/357879821.db2.gz PKZIBRLRRNDMFW-ZDUSSCGKSA-N 0 3 295.383 1.474 50 0 CDAAHN COC(=O)[C@@]12CCC[C@H]1CN(Cc1ccncc1)C2 ZINC000097082973 357945829 /nfs/dbraw/zinc/94/58/29/357945829.db2.gz ZHMOWTRATIEDCY-DZGCQCFKSA-N 0 3 260.337 1.857 50 0 CDAAHN C[C@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)[C@@H]1CCCO1 ZINC000097108811 357983680 /nfs/dbraw/zinc/98/36/80/357983680.db2.gz WZUBIPCYLBHRCY-AEJSXWLSSA-N 0 3 280.290 1.307 50 0 CDAAHN CN[C@@H](C)C(=O)Nc1cc(Cl)ccc1N(C)C ZINC000054074072 358702136 /nfs/dbraw/zinc/70/21/36/358702136.db2.gz WHKLQEHLLRVTPC-QMMMGPOBSA-N 0 3 255.749 1.952 50 0 CDAAHN CC[C@@H]1CN(c2nccnc2OC)CCN1C(C)C ZINC000096149745 358709606 /nfs/dbraw/zinc/70/96/06/358709606.db2.gz VNXUIWLQGXMROP-GFCCVEGCSA-N 0 3 264.373 1.794 50 0 CDAAHN Cc1cc(C)cc(O[C@H](C)C(=O)NCCN(C)C)c1 ZINC000098086246 358812897 /nfs/dbraw/zinc/81/28/97/358812897.db2.gz DCDWQQQWBFZCJB-CYBMUJFWSA-N 0 3 264.369 1.749 50 0 CDAAHN C[C@H](Cc1ccccc1F)NCC(=O)N1CCOCC1 ZINC000186743217 358820223 /nfs/dbraw/zinc/82/02/23/358820223.db2.gz XHVUZTONHINGKV-GFCCVEGCSA-N 0 3 280.343 1.205 50 0 CDAAHN Cc1ccc(CN2C[C@H](O)[C@@H](N3CCCC3)C2)s1 ZINC000097553432 358785186 /nfs/dbraw/zinc/78/51/86/358785186.db2.gz BUMFOLGABDBWJE-KBPBESRZSA-N 0 3 266.410 1.697 50 0 CDAAHN CN1CCCC[C@@H]1C(=O)N1CCC(c2ncc[nH]2)CC1 ZINC000097675481 358792678 /nfs/dbraw/zinc/79/26/78/358792678.db2.gz CKUGCDUQQNCSNU-CYBMUJFWSA-N 0 3 276.384 1.600 50 0 CDAAHN CCOCCCN1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000120360496 358797085 /nfs/dbraw/zinc/79/70/85/358797085.db2.gz PQPJAPNGWKOWFU-CYBMUJFWSA-N 0 3 278.400 1.830 50 0 CDAAHN CN(C(=O)[C@@H](CN)c1ccc(F)cc1)[C@@H]1CCOC1 ZINC000262048649 358998808 /nfs/dbraw/zinc/99/88/08/358998808.db2.gz HBMDBNFNGXXBKE-OLZOCXBDSA-N 0 3 266.316 1.115 50 0 CDAAHN CC(=O)N[C@H]1CCCN(C(=O)C[C@@H](N)c2ccccc2)C1 ZINC000037815247 359452720 /nfs/dbraw/zinc/45/27/20/359452720.db2.gz HKIZICYTMVPCSN-LSDHHAIUSA-N 0 3 289.379 1.204 50 0 CDAAHN CCOc1ccc(C(=O)N2C[C@@H](CO)[C@H](N(C)C)C2)cc1 ZINC000257183552 359490259 /nfs/dbraw/zinc/49/02/59/359490259.db2.gz HQEWTTOLSBFAAZ-DZGCQCFKSA-N 0 3 292.379 1.080 50 0 CDAAHN Cc1nnc2ncc(-c3ccc(N4CCNCC4)cc3)cn12 ZINC000426613704 360689884 /nfs/dbraw/zinc/68/98/84/360689884.db2.gz YWXFUEVUVGBDCH-UHFFFAOYSA-N 0 3 294.362 1.509 50 0 CDAAHN C[C@@H](C(=O)NCCc1cccc(=O)[nH]1)N1CCCCC1 ZINC000426734545 360700684 /nfs/dbraw/zinc/70/06/84/360700684.db2.gz SUCBCALXZLZFOA-LBPRGKRZSA-N 0 3 277.368 1.320 50 0 CDAAHN CCc1ccc(C(=O)NCCCN2CCC[C@@H](O)C2)[nH]1 ZINC000426552093 361012919 /nfs/dbraw/zinc/01/29/19/361012919.db2.gz YJOXHRITSKYNQO-CYBMUJFWSA-N 0 3 279.384 1.154 50 0 CDAAHN OCCN(CCO)Cc1ccc(Br)cc1 ZINC000000280229 364130734 /nfs/dbraw/zinc/13/07/34/364130734.db2.gz YOYHVMIRZKMMPG-UHFFFAOYSA-N 0 3 274.158 1.236 50 0 CDAAHN CC[C@@H]1CN(C(C)=O)CC[C@@H]1NCc1cscn1 ZINC000089949175 366979296 /nfs/dbraw/zinc/97/92/96/366979296.db2.gz FTKPJGUTMOHVCY-YPMHNXCESA-N 0 3 267.398 1.880 50 0 CDAAHN CC[C@@H]1CN([C@@H]2[C@@H]3CCO[C@H]3C2(C)C)CCN1C[C@@H](C)O ZINC000252477648 367546476 /nfs/dbraw/zinc/54/64/76/367546476.db2.gz SBPKRZCDZFOEHU-IBEHDNSVSA-N 0 3 296.455 1.577 50 0 CDAAHN C[C@@H]1CN(CCCCC2CCOCC2)CCN1CCO ZINC000252569043 368160208 /nfs/dbraw/zinc/16/02/08/368160208.db2.gz VVICVVZHGJASSF-OAHLLOKOSA-N 0 3 284.444 1.582 50 0 CDAAHN CN1CCN(C[C@@H]2CCCN(Cc3nccs3)C2)CC1 ZINC000367622492 369201904 /nfs/dbraw/zinc/20/19/04/369201904.db2.gz IFYWRZKSGNZWCX-AWEZNQCLSA-N 0 3 294.468 1.603 50 0 CDAAHN Cc1c(Cl)cccc1NC(=O)N[C@@H]1CNCC[C@H]1O ZINC000299787100 372761366 /nfs/dbraw/zinc/76/13/66/372761366.db2.gz OWXGTPDORHEDMH-VXGBXAGGSA-N 0 3 283.759 1.493 50 0 CDAAHN Cc1nc[nH]c1CN(CCC(N)=O)CCc1ccccc1 ZINC000299800920 372771549 /nfs/dbraw/zinc/77/15/49/372771549.db2.gz XCZQXZUFNXMXKK-UHFFFAOYSA-N 0 3 286.379 1.638 50 0 CDAAHN CN(C)[C@H]1CCN(C(=O)c2cccc(-c3cnccn3)c2)C1 ZINC000299802371 372773578 /nfs/dbraw/zinc/77/35/78/372773578.db2.gz YXSCDXDGOVUJFX-HNNXBMFYSA-N 0 3 296.374 1.920 50 0 CDAAHN Cc1ccc(C)c(C(=O)N2C[C@@H](CO)[C@H](N(C)C)C2)c1 ZINC000253403811 373692630 /nfs/dbraw/zinc/69/26/30/373692630.db2.gz HLZXRUAETLFOQE-DZGCQCFKSA-N 0 3 276.380 1.298 50 0 CDAAHN COC(=O)c1cc(CN[C@@H]2CCCc3cn[nH]c32)cn1C ZINC000253427149 373733779 /nfs/dbraw/zinc/73/37/79/373733779.db2.gz DMTIIKOELNJDTQ-GFCCVEGCSA-N 0 3 288.351 1.702 50 0 CDAAHN O=C(c1n[nH]c2c1CCCC2)N1CC[C@H](N2CCCC2)C1 ZINC000095469686 374966509 /nfs/dbraw/zinc/96/65/09/374966509.db2.gz CXPFOWFVYMQLDV-LBPRGKRZSA-N 0 3 288.395 1.599 50 0 CDAAHN CCN1CCC[C@@H]1CNC(=O)Cc1ccc2c(c1)OCC2 ZINC000095474648 374968224 /nfs/dbraw/zinc/96/82/24/374968224.db2.gz YTGHUZBFDPRUJC-OAHLLOKOSA-N 0 3 288.391 1.765 50 0 CDAAHN CC(C)N1CCCC[C@H]1C(=O)NCCc1nccn1C ZINC000095401005 374906509 /nfs/dbraw/zinc/90/65/09/374906509.db2.gz QQYAUVXPQMZOJD-ZDUSSCGKSA-N 0 3 278.400 1.342 50 0 CDAAHN Cn1ccc(CNC(=O)N2CCC[C@H]3CN(C)CC[C@H]32)c1 ZINC000096499811 375107327 /nfs/dbraw/zinc/10/73/27/375107327.db2.gz KCNMLPRRRITDLH-LSDHHAIUSA-N 0 3 290.411 1.651 50 0 CDAAHN Cn1cc(C2CCN(CCN3CCCC3=O)CC2)cn1 ZINC000097202980 375157235 /nfs/dbraw/zinc/15/72/35/375157235.db2.gz ZDHRVSAUFSRMGU-UHFFFAOYSA-N 0 3 276.384 1.222 50 0 CDAAHN CCC(CC)(CO)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000096424684 256758289 /nfs/dbraw/zinc/75/82/89/256758289.db2.gz BUZAZXUBFJWBGD-VIFPVBQESA-N 0 3 282.306 1.290 50 0 CDAAHN Cc1cc(N2CCNCC2)ncc1Br ZINC000019721228 390229041 /nfs/dbraw/zinc/22/90/41/390229041.db2.gz KMVMTDWWYHSLGI-UHFFFAOYSA-N 0 3 256.147 1.562 50 0 CDAAHN CC(C)CCN1CCN(CCOC[C@@H]2CCCO2)CC1 ZINC000096421131 390514190 /nfs/dbraw/zinc/51/41/90/390514190.db2.gz GMQXLXWACSTJSL-INIZCTEOSA-N 0 3 284.444 1.846 50 0 CDAAHN CC[C@H]1CN(c2nccnc2OC)CCN1C(C)C ZINC000096149746 390912999 /nfs/dbraw/zinc/91/29/99/390912999.db2.gz VNXUIWLQGXMROP-LBPRGKRZSA-N 0 3 264.373 1.794 50 0 CDAAHN COC(=O)CCCN1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000096407763 393181729 /nfs/dbraw/zinc/18/17/29/393181729.db2.gz HBQYCGLVXUKRNP-CYBMUJFWSA-N 0 3 282.384 1.274 50 0 CDAAHN O=C(C[C@H]1CCCO1)NC[C@@H]1NCCc2ccccc21 ZINC000261843349 140398359 /nfs/dbraw/zinc/39/83/59/140398359.db2.gz WASIZIWUEGNBFT-HIFRSBDPSA-N 0 3 274.364 1.559 50 0 CDAAHN CCN1CCN(CCNC(=O)Nc2ccccc2C)CC1 ZINC000020153991 171038147 /nfs/dbraw/zinc/03/81/47/171038147.db2.gz FPBAASCUDISVGH-UHFFFAOYSA-N 0 3 290.411 1.754 50 0 CDAAHN COc1ccccc1C[C@H](C)N[C@H]1CCS(=O)(=O)C1 ZINC000037509967 173243376 /nfs/dbraw/zinc/24/33/76/173243376.db2.gz KGYVVSVHOHKTCK-AAEUAGOBSA-N 0 3 283.393 1.403 50 0 CDAAHN CNCC(=O)N[C@@H](C)c1nc2c(s1)CCCC2 ZINC000071738855 176258243 /nfs/dbraw/zinc/25/82/43/176258243.db2.gz LMHVWBHSHYSIIN-QMMMGPOBSA-N 0 3 253.371 1.419 50 0 CDAAHN Cc1ccc(O[C@@H](C)C(=O)NCCN(C)C)c(C)c1 ZINC000072117304 176318804 /nfs/dbraw/zinc/31/88/04/176318804.db2.gz JWDMOMURXGNCQU-ZDUSSCGKSA-N 0 3 264.369 1.749 50 0 CDAAHN CCCc1nc(C(=O)N2CC[C@@](O)(CN(C)C)C2)cs1 ZINC000072150288 176326322 /nfs/dbraw/zinc/32/63/22/176326322.db2.gz OVZDPQFAUMJMRD-CQSZACIVSA-N 0 3 297.424 1.234 50 0 CDAAHN CCC[C@H](N)C(=O)N1CCOC[C@@H]1c1ccccc1 ZINC000376789930 276042779 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/nfs/dbraw/zinc/00/33/64/356003364.db2.gz FNXWWLAMYSBLBO-UHFFFAOYSA-N 0 3 268.382 1.280 50 0 CDAAHN COc1ccc2ccccc2c1CNCCOCCO ZINC000010435731 356258206 /nfs/dbraw/zinc/25/82/06/356258206.db2.gz ITVOEIKLIRIIJT-UHFFFAOYSA-N 0 3 275.348 1.947 50 0 CDAAHN Cc1cc(=O)[nH]c(Nc2ccc(N3CCN(C)CC3)cc2)n1 ZINC000011903414 356284194 /nfs/dbraw/zinc/28/41/94/356284194.db2.gz HHZWPDLKBUJDRK-UHFFFAOYSA-N 0 3 299.378 1.574 50 0 CDAAHN COc1ccccc1CNCCN1CCOCC1 ZINC000019570855 356492531 /nfs/dbraw/zinc/49/25/31/356492531.db2.gz WGVIWMAMZMWHQZ-UHFFFAOYSA-N 0 3 250.342 1.117 50 0 CDAAHN COc1ccc(OC/C=C/CN2CCN(C)CC2)cc1 ZINC000023114626 356628584 /nfs/dbraw/zinc/62/85/84/356628584.db2.gz PKPWSLABDHLAAY-ONEGZZNKSA-N 0 3 276.380 1.878 50 0 CDAAHN COc1ccc([C@H](CN)N2CCCC2)cc1OC ZINC000032495126 356780763 /nfs/dbraw/zinc/78/07/63/356780763.db2.gz WQYZFTUTVPPVGV-LBPRGKRZSA-N 0 3 250.342 1.799 50 0 CDAAHN CCc1nc(-c2ccc(N3CCNCC3)cc2)no1 ZINC000032918118 356790213 /nfs/dbraw/zinc/79/02/13/356790213.db2.gz 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LJLCTSCVMSUVFG-OLZOCXBDSA-N 0 3 284.363 1.838 50 0 CDAAHN CCCc1cc(C(=O)N2CCC[C@@](O)(CN(C)C)C2)no1 ZINC000082166664 358150664 /nfs/dbraw/zinc/15/06/64/358150664.db2.gz RSYNKFVPDIVHHP-OAHLLOKOSA-N 0 3 295.383 1.156 50 0 CDAAHN COc1cccc(CN[C@@H]2CN3CCC2CC3)c1OC ZINC000019947881 358226918 /nfs/dbraw/zinc/22/69/18/358226918.db2.gz YHYGIQDGXVYBQX-CQSZACIVSA-N 0 3 276.380 1.888 50 0 CDAAHN CC(C)[C@H](N)C(=O)N1CCc2cccc(F)c2C1 ZINC000195555007 358557498 /nfs/dbraw/zinc/55/74/98/358557498.db2.gz YNLOCYIJFHIDCM-ZDUSSCGKSA-N 0 3 250.317 1.694 50 0 CDAAHN COc1c(C)cc(NC(=O)NCCN(C)C)cc1C ZINC000096153545 358710208 /nfs/dbraw/zinc/71/02/08/358710208.db2.gz BFMLFFBGQZVWMV-UHFFFAOYSA-N 0 3 265.357 1.995 50 0 CDAAHN CCN1CCCC[C@@H]1C(=O)NCCNc1cccnc1 ZINC000097492402 358780740 /nfs/dbraw/zinc/78/07/40/358780740.db2.gz BBJZMQNHQITNTF-CQSZACIVSA-N 0 3 276.384 1.484 50 0 CDAAHN CN(C(=O)c1cc(C(F)(F)F)n[nH]1)[C@@H]1CCN(C)C1 ZINC000097681801 358793014 /nfs/dbraw/zinc/79/30/14/358793014.db2.gz BVSWNMPLUPHBMA-SSDOTTSWSA-N 0 3 276.262 1.205 50 0 CDAAHN CN(C(=O)c1cc(C(F)(F)F)n[nH]1)[C@H]1CCN(C)C1 ZINC000097681800 358793055 /nfs/dbraw/zinc/79/30/55/358793055.db2.gz BVSWNMPLUPHBMA-ZETCQYMHSA-N 0 3 276.262 1.205 50 0 CDAAHN Cc1ccccc1C[C@@H](C)NCC(=O)N1CCOCC1 ZINC000095988829 359724079 /nfs/dbraw/zinc/72/40/79/359724079.db2.gz DNMCBMSXPWWKEA-CQSZACIVSA-N 0 3 276.380 1.374 50 0 CDAAHN CC(C)[C@H](NCC(=O)NC1CC1)[C@@H](O)c1ccccc1 ZINC000408516360 359899187 /nfs/dbraw/zinc/89/91/87/359899187.db2.gz NCTBCRZQRYTQCU-HOTGVXAUSA-N 0 3 276.380 1.613 50 0 CDAAHN CN(CCN(C)C1CC1)C(=O)Cc1ccncc1Cl ZINC000408517974 359903704 /nfs/dbraw/zinc/90/37/04/359903704.db2.gz QPVMUVUGEAHJDJ-UHFFFAOYSA-N 0 3 281.787 1.830 50 0 CDAAHN OCC[C@@H]1CSCCN1CCO[C@@H]1CCCCO1 ZINC000408514851 359904817 /nfs/dbraw/zinc/90/48/17/359904817.db2.gz MWMBXNBOYZLUKN-CHWSQXEVSA-N 0 3 275.414 1.329 50 0 CDAAHN C[C@H](CCc1ccccc1)NCCS(=O)(=O)N(C)C ZINC000065406385 360094765 /nfs/dbraw/zinc/09/47/65/360094765.db2.gz WONVNSYNKCSCCJ-CYBMUJFWSA-N 0 3 284.425 1.489 50 0 CDAAHN CN(Cc1cnccn1)C(=O)NC[C@@H]1CCCCN1C ZINC000426428434 360669995 /nfs/dbraw/zinc/66/99/95/360669995.db2.gz XBCMQVDFZKPGOO-ZDUSSCGKSA-N 0 3 277.372 1.102 50 0 CDAAHN Cn1cncc1-c1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000426493981 360676083 /nfs/dbraw/zinc/67/60/83/360676083.db2.gz ICSOSWVVLWTJMX-UHFFFAOYSA-N 0 3 298.390 1.913 50 0 CDAAHN Cc1ccc(OCC(=O)NC[C@@H](C)N2CCCC2)cc1 ZINC000036077102 360833404 /nfs/dbraw/zinc/83/34/04/360833404.db2.gz DHPARMNRSZMGLR-CQSZACIVSA-N 0 3 276.380 1.974 50 0 CDAAHN CCN1CCCC[C@@H]1CNc1ccc(C(N)=O)cn1 ZINC000267530916 363840883 /nfs/dbraw/zinc/84/08/83/363840883.db2.gz QFGDZVQEARFPCF-GFCCVEGCSA-N 0 3 262.357 1.467 50 0 CDAAHN CN1C[C@H](CN2CCC(C(F)(F)F)CC2)CC1=O ZINC000618254031 364031700 /nfs/dbraw/zinc/03/17/00/364031700.db2.gz ATBJIHSNZHRGMS-SECBINFHSA-N 0 3 264.291 1.739 50 0 CDAAHN CCN1CCC[C@H]1CNC(=O)c1cc(N)ccc1OC ZINC000000347680 364176629 /nfs/dbraw/zinc/17/66/29/364176629.db2.gz FKLZXOIYBRAZIN-LBPRGKRZSA-N 0 3 277.368 1.492 50 0 CDAAHN CN(CC(=O)NC1(CO)CCSCC1)CC(C)(C)C ZINC000585121985 364856545 /nfs/dbraw/zinc/85/65/45/364856545.db2.gz IUJSODLANDOMGE-UHFFFAOYSA-N 0 3 288.457 1.339 50 0 CDAAHN NS(=O)(=O)[C@H]1CCN(CCCC2CCCC2)C1 ZINC000089818060 366939732 /nfs/dbraw/zinc/93/97/32/366939732.db2.gz IXGZJXQBBDZBIP-LBPRGKRZSA-N 0 3 260.403 1.320 50 0 CDAAHN CCC1(CC)[C@H](OC)C[C@@H]1N(C)CCn1cncn1 ZINC000089948131 366975758 /nfs/dbraw/zinc/97/57/58/366975758.db2.gz DBHLLYUGMWDOSZ-QWHCGFSZSA-N 0 3 266.389 1.804 50 0 CDAAHN N[C@H]1CCN(C(=O)OCc2ccccc2)C[C@H]1F ZINC000079035464 367348994 /nfs/dbraw/zinc/34/89/94/367348994.db2.gz SYVUWEZGXXHYPH-NEPJUHHUSA-N 0 3 252.289 1.694 50 0 CDAAHN CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NCc1ccco1 ZINC000252517163 367740597 /nfs/dbraw/zinc/74/05/97/367740597.db2.gz BDUXNQPJVJORBJ-DGCLKSJQSA-N 0 3 286.397 1.429 50 0 CDAAHN O=C(NCC1CCN([C@H]2CCOC2)CC1)c1cccs1 ZINC000575608086 370624381 /nfs/dbraw/zinc/62/43/81/370624381.db2.gz QLHXIDUHAUECQL-ZDUSSCGKSA-N 0 3 294.420 1.979 50 0 CDAAHN CN(C[C@H]1CCCCN1C)c1ncccc1C(N)=O ZINC000670444941 482994565 /nfs/dbraw/zinc/99/45/65/482994565.db2.gz PZEFQPIDMLAIDN-LLVKDONJSA-N 0 3 262.357 1.101 50 0 CDAAHN Cc1[nH]ncc1CN(C)c1cc([C@H]2CCOC2)ncn1 ZINC000299777180 372754958 /nfs/dbraw/zinc/75/49/58/372754958.db2.gz PGAUUNTXPLPNNC-NSHDSACASA-N 0 3 273.340 1.648 50 0 CDAAHN C[C@H](CCN1CCN2C(=O)NC[C@H]2C1)c1ccccc1 ZINC000248886210 374072482 /nfs/dbraw/zinc/07/24/82/374072482.db2.gz MEMUXWHMRHTWFB-HIFRSBDPSA-N 0 3 273.380 1.890 50 0 CDAAHN c1ccc(CN[C@H]2CCN(c3ccccn3)C2)nc1 ZINC000095435725 374936156 /nfs/dbraw/zinc/93/61/56/374936156.db2.gz VMLWSEVGSAGDJT-AWEZNQCLSA-N 0 3 254.337 1.845 50 0 CDAAHN CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NCc1cc[nH]c1 ZINC000095435718 374936263 /nfs/dbraw/zinc/93/62/63/374936263.db2.gz FYOKMSWZZSEFHM-OLZOCXBDSA-N 0 3 295.383 1.739 50 0 CDAAHN CCc1nnc(NC(=O)N2C[C@@H]3CCCN3C[C@@H]2C)s1 ZINC000089296345 377814747 /nfs/dbraw/zinc/81/47/47/377814747.db2.gz VLOMGYUAMHSGNV-UWVGGRQHSA-N 0 3 295.412 1.801 50 0 CDAAHN CC[NH+](CC)CCCOC(=O)c1ccc([O-])cc1O ZINC000002288894 260009018 /nfs/dbraw/zinc/00/90/18/260009018.db2.gz SBWJUOJQEAWDQZ-UHFFFAOYSA-N 0 3 267.325 1.987 50 0 biogenic CDAAHN C[C@@H](C(=O)NCCNc1ccccn1)N1CCCCCC1 ZINC000096435986 390518835 /nfs/dbraw/zinc/51/88/35/390518835.db2.gz YCOLHNGTWLTKAI-AWEZNQCLSA-N 0 3 290.411 1.874 50 0 CDAAHN CC[C@@H](O)CN1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000096455390 390522186 /nfs/dbraw/zinc/52/21/86/390522186.db2.gz NINIPMHHPVAVGG-NWDGAFQWSA-N 0 3 272.389 1.699 50 0 CDAAHN CC[C@@H]1c2ccsc2CCN1CCC(=O)NC(N)=O ZINC000011473569 390902856 /nfs/dbraw/zinc/90/28/56/390902856.db2.gz MNUVNRYOBJVSLH-SNVBAGLBSA-N 0 3 281.381 1.642 50 0 CDAAHN COC[C@@H](C)NCc1ccccc1CN1CCCC1=O ZINC000065419646 392882002 /nfs/dbraw/zinc/88/20/02/392882002.db2.gz KNYUJFXRRMXMSN-CYBMUJFWSA-N 0 3 276.380 1.934 50 0 CDAAHN CC[C@H]1CN(c2nccc(-c3cnn(C)c3)n2)CCN1C ZINC000082039335 135004603 /nfs/dbraw/zinc/00/46/03/135004603.db2.gz UOUBWACEMQUPLL-ZDUSSCGKSA-N 0 3 286.383 1.408 50 0 CDAAHN C[C@H](N)C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000262691703 149097884 /nfs/dbraw/zinc/09/78/84/149097884.db2.gz AOWSAMLAZCKPTC-KGLIPLIRSA-N 0 3 275.396 1.457 50 0 CDAAHN CCOC(=O)N1CCC(NCc2ccco2)CC1 ZINC000003683595 169907894 /nfs/dbraw/zinc/90/78/94/169907894.db2.gz KTPPDEKJHYWJST-UHFFFAOYSA-N 0 3 252.314 1.990 50 0 CDAAHN CN(C)CCNC(=O)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000005251072 170079548 /nfs/dbraw/zinc/07/95/48/170079548.db2.gz TUIZFKAYUKWOLR-UHFFFAOYSA-N 0 3 287.722 1.095 50 0 CDAAHN O=C(NCCNCc1cccnc1)c1ccccc1 ZINC000007093571 170267330 /nfs/dbraw/zinc/26/73/30/170267330.db2.gz LOCCZYMCFLUTQL-UHFFFAOYSA-N 0 3 255.321 1.601 50 0 CDAAHN CCNC(=O)NC(=O)CN1CCC[C@H]2CCCC[C@@H]21 ZINC000007587549 170292038 /nfs/dbraw/zinc/29/20/38/170292038.db2.gz HNJQZQMDECKFBC-NEPJUHHUSA-N 0 3 267.373 1.487 50 0 CDAAHN CCc1ccc(CN2CCC[C@@](O)(CO)CC2)nc1 ZINC000072145013 176324682 /nfs/dbraw/zinc/32/46/82/176324682.db2.gz NPICSJXQTKYIRV-HNNXBMFYSA-N 0 3 264.369 1.353 50 0 CDAAHN CN(C)C[C@@]1(O)CCN(C(=O)c2cccc3cc[nH]c32)C1 ZINC000072156146 176328545 /nfs/dbraw/zinc/32/85/45/176328545.db2.gz GEVBADFUNHERHU-INIZCTEOSA-N 0 3 287.363 1.307 50 0 CDAAHN CCN1CCCN(c2ccc(-n3ccc(C)n3)nn2)CC1 ZINC000096453673 276165105 /nfs/dbraw/zinc/16/51/05/276165105.db2.gz RJLVLWTUSPECCQ-UHFFFAOYSA-N 0 3 286.383 1.503 50 0 CDAAHN CCCS(=O)(=O)N1C[C@H](N)[C@@H](c2ccc(OC)cc2)C1 ZINC000091694112 276268198 /nfs/dbraw/zinc/26/81/98/276268198.db2.gz XBKBKAKGJKHPDP-KGLIPLIRSA-N 0 3 298.408 1.162 50 0 CDAAHN COC(=O)[C@@]12CCC[C@H]1CN(Cc1cncs1)C2 ZINC000096009048 277114815 /nfs/dbraw/zinc/11/48/15/277114815.db2.gz ZJPINNYIJHGJJC-GXFFZTMASA-N 0 3 266.366 1.918 50 0 CDAAHN C[C@H](C(=O)N1CCCn2cncc2C1)N1CCC[C@H](C)C1 ZINC000107014598 279197740 /nfs/dbraw/zinc/19/77/40/279197740.db2.gz WRVXAEMEHRWOKH-UONOGXRCSA-N 0 3 290.411 1.736 50 0 CDAAHN c1ccc(COC2CCN(C[C@@H]3COCCO3)CC2)nc1 ZINC000244723645 280479653 /nfs/dbraw/zinc/47/96/53/280479653.db2.gz MEYQQQPFPQEDIR-MRXNPFEDSA-N 0 3 292.379 1.478 50 0 CDAAHN C[C@H](CN1CCCCC1)NC(=O)c1nc(C2CC2)nn1C ZINC000562831067 293209032 /nfs/dbraw/zinc/20/90/32/293209032.db2.gz BUQPJSSNCBDWLU-LLVKDONJSA-N 0 3 291.399 1.297 50 0 CDAAHN Cc1nc(NC(=O)N2CCC[C@H]2CN2CCCC2)nn1C ZINC000048353771 293316996 /nfs/dbraw/zinc/31/69/96/293316996.db2.gz CKHOYRVJFPEMKI-LBPRGKRZSA-N 0 3 292.387 1.216 50 0 CDAAHN NC[C@H](c1ccncc1)N1CCC(O)(C(F)(F)F)CC1 ZINC000035287511 295264544 /nfs/dbraw/zinc/26/45/44/295264544.db2.gz GQQYAXJIHFVCJV-LLVKDONJSA-N 0 3 289.301 1.471 50 0 CDAAHN NCc1cccnc1N1CCN(c2ccccc2)CC1 ZINC000019274734 482253403 /nfs/dbraw/zinc/25/34/03/482253403.db2.gz HZZWWKQZBWURDV-UHFFFAOYSA-N 0 3 268.364 1.867 50 0 CDAAHN CNC(=O)C[C@@H]1CCN(Cc2ccc(N(C)C)nc2)C1 ZINC000670438039 482980221 /nfs/dbraw/zinc/98/02/21/482980221.db2.gz OQLBLLYHZMCKKJ-LBPRGKRZSA-N 0 3 276.384 1.106 50 0 CDAAHN CC(C)(CO)CCCNC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000096452822 527190908 /nfs/dbraw/zinc/19/09/08/527190908.db2.gz PXJWBGMSTRRPAS-CQSZACIVSA-N 0 3 297.443 1.665 50 0 CDAAHN CNCC(=O)Nc1ccc(OC[C@@H]2CCCCO2)cc1 ZINC000952968314 616937390 /nfs/dbraw/zinc/93/73/90/616937390.db2.gz KVDNDIIRKHJZFX-AWEZNQCLSA-N 0 3 278.352 1.792 50 0 CDAAHN CO[C@@H]1CCC[C@]12CCCN(CC(=O)NC1CC1)C2 ZINC001704337051 1177693534 /nfs/dbraw/zinc/69/35/34/1177693534.db2.gz RQZSLTNHWNKYBS-UKRRQHHQSA-N 0 3 266.385 1.546 50 0 CDAAHN O=C([C@@H]1CCCN(Cc2ccco2)C1)N1CCCOCC1 ZINC000019781778 740257861 /nfs/dbraw/zinc/25/78/61/740257861.db2.gz NMKZKQHOLGJYCO-CQSZACIVSA-N 0 3 292.379 1.741 50 0 CDAAHN CN1C[C@@H]2C[C@@H](c3cccc(O)c3)N3CCC[C@@]23C1=O ZINC000011661185 742831836 /nfs/dbraw/zinc/83/18/36/742831836.db2.gz POJRGCZPLWOWKA-NOLJZWGESA-N 0 3 272.348 1.760 50 0 CDAAHN Fc1cnc(C[C@@H]2CC[C@H](CN3CCSCC3)O2)nc1 ZINC000952854541 910408968 /nfs/dbraw/zinc/40/89/68/910408968.db2.gz KPXJZZISFHAMTQ-QWHCGFSZSA-N 0 3 297.399 1.755 50 0 CDAAHN CC(C)[C@H](CNS(=O)(=O)CC1CCCC1)N(C)C ZINC000820694798 925545123 /nfs/dbraw/zinc/54/51/23/925545123.db2.gz RRUGQEBQKZHHSD-ZDUSSCGKSA-N 0 3 276.446 1.682 50 0 CDAAHN C[C@@H]1CN(C(=O)[C@@H]2CCCCCN2C)C[C@H](C)O1 ZINC000825031265 925848987 /nfs/dbraw/zinc/84/89/87/925848987.db2.gz IAURJXFOCIGWRU-XQQFMLRXSA-N 0 3 254.374 1.497 50 0 CDAAHN Cc1nn[nH]c1C(=O)NCCN1CC[C@H](c2ccccc2)C1 ZINC000828214598 926071733 /nfs/dbraw/zinc/07/17/33/926071733.db2.gz KSVXBLKNSGARJC-AWEZNQCLSA-N 0 3 299.378 1.332 50 0 CDAAHN CCC[C@H](C)NC(=O)[C@@H]1CCCN(CC[S@@](C)=O)C1 ZINC000585079726 930852208 /nfs/dbraw/zinc/85/22/08/930852208.db2.gz GJCCCJQGRZZWAK-XEKQOVJPSA-N 0 3 288.457 1.382 50 0 CDAAHN Cc1nc(=NC[C@@H]2CCCN(Cc3ccco3)C2)n(C)[nH]1 ZINC001529124991 968988824 /nfs/dbraw/zinc/98/88/24/968988824.db2.gz CUNSICRVHVRAOM-ZDUSSCGKSA-N 0 3 289.383 1.463 50 0 CDAAHN Cn1ccnc1CCN1CCCN(Cc2ccccn2)CC1 ZINC001506429631 975161694 /nfs/dbraw/zinc/16/16/94/975161694.db2.gz YEMMIDITZBHZEA-UHFFFAOYSA-N 0 3 299.422 1.566 50 0 CDAAHN CSc1ccc([C@@H](C)NC(CO)CO)cc1F ZINC000095968598 185047421 /nfs/dbraw/zinc/04/74/21/185047421.db2.gz YFXUMANEWRQYDC-MRVPVSSYSA-N 0 3 259.346 1.551 50 0 CDAAHN COc1ccc(NC(=O)N2CCN3CCC2CC3)cn1 ZINC000241657675 361753271 /nfs/dbraw/zinc/75/32/71/361753271.db2.gz PYHOHCKCFPQMNQ-UHFFFAOYSA-N 0 3 276.340 1.402 50 0 CDAAHN CCn1ccc(CN2CC(N3CCCC[C@@H]3C)C2)n1 ZINC000244652079 361854820 /nfs/dbraw/zinc/85/48/20/361854820.db2.gz GZKAUEOOJPYJLU-ZDUSSCGKSA-N 0 3 262.401 1.962 50 0 CDAAHN CN(CCn1cc[nH]c1=O)C[C@H]1Cc2ccccc2O1 ZINC000244742003 361862113 /nfs/dbraw/zinc/86/21/13/361862113.db2.gz OAKAMPTYZPAQMP-CYBMUJFWSA-N 0 3 273.336 1.112 50 0 CDAAHN Cn1c(CN2CC[C@H](C(N)=O)C2)cc2ccccc21 ZINC000585141291 342219041 /nfs/dbraw/zinc/21/90/41/342219041.db2.gz SXVAWTPORTWCIU-LBPRGKRZSA-N 0 3 257.337 1.486 50 0 CDAAHN CCNC(=O)N1CCN([C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000338892010 539067176 /nfs/dbraw/zinc/06/71/76/539067176.db2.gz MHYLTMMDNDQXHG-CLLJXQQHSA-N 0 3 269.389 1.290 50 0 CDAAHN C[C@@H]1Cc2ccccc2N1C(=O)CSC1=NCCN1 ZINC000012752667 539100096 /nfs/dbraw/zinc/10/00/96/539100096.db2.gz IPRLYFWYSJJJQS-SNVBAGLBSA-N 0 3 275.377 1.657 50 0 CDAAHN CCCCNC(=O)[C@@H](C)N1CCN(C)[C@H](C(C)(C)C)C1 ZINC000585116449 362045382 /nfs/dbraw/zinc/04/53/82/362045382.db2.gz WMWCWEWXKATMGF-KGLIPLIRSA-N 0 3 283.460 1.953 50 0 CDAAHN O=C(NCCCN1CCCC[C@H]1CO)c1ccoc1 ZINC000584892387 349352220 /nfs/dbraw/zinc/35/22/20/349352220.db2.gz XBODIXDHPXSFDN-ZDUSSCGKSA-N 0 3 266.341 1.246 50 0 CDAAHN Cc1cc(=O)cc(C(=O)NC[C@H](C(C)C)N2CCCC2)o1 ZINC000584894863 349355276 /nfs/dbraw/zinc/35/52/76/349355276.db2.gz VWQIDAOJSVBFDQ-CQSZACIVSA-N 0 3 292.379 1.798 50 0 CDAAHN CC(C)COCCNC(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000096499717 351569617 /nfs/dbraw/zinc/56/96/17/351569617.db2.gz VQLPYPQRMKTEMR-LSDHHAIUSA-N 0 3 297.443 1.785 50 0 CDAAHN C[C@@H]1C[C@H]1c1ccc(CNCC2(CO)COC2)o1 ZINC000123032014 187066745 /nfs/dbraw/zinc/06/67/45/187066745.db2.gz PEIJVGOYSIYVOW-ZYHUDNBSSA-N 0 3 251.326 1.502 50 0 CDAAHN C[C@@H](CCc1nc(C2CC2)n[nH]1)N1CCN(C)CC1 ZINC000065433540 363264847 /nfs/dbraw/zinc/26/48/47/363264847.db2.gz CIFJWSBHRCDBPX-NSHDSACASA-N 0 3 263.389 1.251 50 0 CDAAHN C[C@@H](CCc1n[nH]c(C2CC2)n1)N1CCN(C)CC1 ZINC000065433540 363264853 /nfs/dbraw/zinc/26/48/53/363264853.db2.gz CIFJWSBHRCDBPX-NSHDSACASA-N 0 3 263.389 1.251 50 0 CDAAHN Cc1n[nH]c(C)c1CNC[C@@H]1COc2ccccc2O1 ZINC000036864717 363281894 /nfs/dbraw/zinc/28/18/94/363281894.db2.gz RQUUKTVSUDOJHA-GFCCVEGCSA-N 0 3 273.336 1.956 50 0 CDAAHN CN1CC[C@H](N2CCC[C@@H]2C[C@@H](O)c2ccccc2)C1=O ZINC000195531547 363456730 /nfs/dbraw/zinc/45/67/30/363456730.db2.gz NISBGRIODMBHNH-OWCLPIDISA-N 0 3 288.391 1.805 50 0 CDAAHN Brc1ccc2ncnc(N3CCNCC3)c2c1 ZINC000004226385 356022651 /nfs/dbraw/zinc/02/26/51/356022651.db2.gz YKLUQABTYJZQOJ-UHFFFAOYSA-N 0 3 293.168 1.802 50 0 CDAAHN Cc1cc(NC(=O)[C@H](C)N[C@H](C)[C@@H]2CCCO2)on1 ZINC000097374273 356094777 /nfs/dbraw/zinc/09/47/77/356094777.db2.gz IWXGZJSLNAVWTI-VWYCJHECSA-N 0 3 267.329 1.467 50 0 CDAAHN CN(CCOc1ccccc1F)C(=O)[C@]1(F)CCNC1 ZINC000299738635 356263556 /nfs/dbraw/zinc/26/35/56/356263556.db2.gz DJLWVEUCSJJBMK-AWEZNQCLSA-N 0 3 284.306 1.365 50 0 CDAAHN CN(C)CCNC(=O)CCC(=O)Nc1ccc(Cl)cc1 ZINC000004575011 356423623 /nfs/dbraw/zinc/42/36/23/356423623.db2.gz QQIPXVMAYXEMMO-UHFFFAOYSA-N 0 3 297.786 1.737 50 0 CDAAHN CCN1CCN(CCC(=O)Nc2ccc(C)cc2)CC1 ZINC000019528180 356490142 /nfs/dbraw/zinc/49/01/42/356490142.db2.gz YWBDETADHUIETM-UHFFFAOYSA-N 0 3 275.396 1.961 50 0 CDAAHN C[C@@H](CN1CCOCC1)N[C@@H](CO)c1ccccc1 ZINC000097238526 295930218 /nfs/dbraw/zinc/93/02/18/295930218.db2.gz AIIHAGBTUAGAFG-ZFWWWQNUSA-N 0 3 264.369 1.030 50 0 CDAAHN CNC(=O)C1CCN(C[C@H](O)c2ccc(F)cc2)CC1 ZINC000025353956 356672889 /nfs/dbraw/zinc/67/28/89/356672889.db2.gz ZXVVLAJHPBYMOF-AWEZNQCLSA-N 0 3 280.343 1.317 50 0 CDAAHN COc1ccccc1CCNC(=O)CNC1CC=CC1 ZINC000065527828 357546999 /nfs/dbraw/zinc/54/69/99/357546999.db2.gz AHGKPDWNKIRPGI-UHFFFAOYSA-N 0 3 274.364 1.662 50 0 CDAAHN Cc1cc(C)n(C[C@H](C)NCc2[nH]nc3c2CCC3)n1 ZINC000067743081 357624104 /nfs/dbraw/zinc/62/41/04/357624104.db2.gz YVCQDDOWOYOPJL-NSHDSACASA-N 0 3 273.384 1.890 50 0 CDAAHN Cc1cc(C)n(C[C@H](C)NCc2n[nH]c3c2CCC3)n1 ZINC000067743081 357624106 /nfs/dbraw/zinc/62/41/06/357624106.db2.gz YVCQDDOWOYOPJL-NSHDSACASA-N 0 3 273.384 1.890 50 0 CDAAHN CN(Cc1c[nH]nc1-c1ccc(F)cc1)C[C@@H](O)CO ZINC000067847357 357631452 /nfs/dbraw/zinc/63/14/52/357631452.db2.gz MQOQIOOUKCWGGQ-CYBMUJFWSA-N 0 3 279.315 1.001 50 0 CDAAHN C[C@H](Cc1ccccc1)CN1CC[C@@H](NS(C)(=O)=O)C1 ZINC000195569302 358566539 /nfs/dbraw/zinc/56/65/39/358566539.db2.gz UZYGOQULALXDEG-UKRRQHHQSA-N 0 3 296.436 1.489 50 0 CDAAHN Cc1cc(C)c2c(ncnc2N[C@@H]2C[C@@H](CO)N(C)C2)n1 ZINC000095362498 358685638 /nfs/dbraw/zinc/68/56/38/358685638.db2.gz UWAHUHBLVODDKU-NEPJUHHUSA-N 0 3 287.367 1.119 50 0 CDAAHN CCN1CCC[C@@H]1Cn1ncc2ccccc2c1=O ZINC000095378791 358689771 /nfs/dbraw/zinc/68/97/71/358689771.db2.gz JHIWODQGDGOHCN-CYBMUJFWSA-N 0 3 257.337 1.881 50 0 CDAAHN O=C(N1CCNC[C@H](O)C1)C1(c2ccccc2)CCCC1 ZINC000097117615 358751864 /nfs/dbraw/zinc/75/18/64/358751864.db2.gz KVOVKLYYKZLXCO-HNNXBMFYSA-N 0 3 288.391 1.291 50 0 CDAAHN Cc1ocnc1C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000097259259 358762292 /nfs/dbraw/zinc/76/22/92/358762292.db2.gz ZFELKHCRNUTSAS-GFCCVEGCSA-N 0 3 281.356 1.166 50 0 CDAAHN CCc1noc(C)c1C(=O)N[C@H]1Cc2ccccc2[C@@H]1N ZINC000097522795 358782161 /nfs/dbraw/zinc/78/21/61/358782161.db2.gz YYZAAOJMIUTQNO-ZFWWWQNUSA-N 0 3 285.347 1.900 50 0 CDAAHN O=C(CCCc1cn[nH]c1)N1[C@@H]2CC[C@H]1CNCC2 ZINC000097654215 358790180 /nfs/dbraw/zinc/79/01/80/358790180.db2.gz RVZCRELAFNCFED-OLZOCXBDSA-N 0 3 262.357 1.085 50 0 CDAAHN O=C(O[C@@H]1CN2CCC1CC2)[C@H]1COc2ccccc2O1 ZINC000000108987 359097535 /nfs/dbraw/zinc/09/75/35/359097535.db2.gz MUWXMGFHWUUUDA-HUUCEWRRSA-N 0 3 289.331 1.464 50 0 CDAAHN CN1CCC(CC(=O)N2CCC3(CC[C@H]3O)CC2)CC1 ZINC000257180644 359216147 /nfs/dbraw/zinc/21/61/47/359216147.db2.gz DSJCJELYCZGCIM-CQSZACIVSA-N 0 3 280.412 1.482 50 0 CDAAHN CC(=O)N1CC(N(Cc2ccccc2)C2CCOCC2)C1 ZINC000257184085 359501304 /nfs/dbraw/zinc/50/13/04/359501304.db2.gz TVOJQCSAMMDRIA-UHFFFAOYSA-N 0 3 288.391 1.898 50 0 CDAAHN CN(C(=O)c1ccc(-c2ncccn2)cc1)[C@H]1CCN(C)C1 ZINC000426544528 360682224 /nfs/dbraw/zinc/68/22/24/360682224.db2.gz WEVXXTUTYDGIPL-HNNXBMFYSA-N 0 3 296.374 1.920 50 0 CDAAHN CCOCCNC(=O)c1ccc(-c2cnccc2N)cc1 ZINC000426396396 360663997 /nfs/dbraw/zinc/66/39/97/360663997.db2.gz JOFSQAKHFPDIEQ-UHFFFAOYSA-N 0 3 285.347 1.927 50 0 CDAAHN CC(C)c1nccc(C(=O)N(C)CCN2CCCC2)n1 ZINC000426485508 360674994 /nfs/dbraw/zinc/67/49/94/360674994.db2.gz ATRLASXYVLYKDJ-UHFFFAOYSA-N 0 3 276.384 1.768 50 0 CDAAHN Cc1n[nH]c(C)c1CCN(C)C(=O)C(C)(C)N1CCCC1 ZINC000426521549 360985057 /nfs/dbraw/zinc/98/50/57/360985057.db2.gz XLCQTANBNUUEJC-UHFFFAOYSA-N 0 3 292.427 1.902 50 0 CDAAHN CC[C@@H]1CN(C(=O)[C@@H](N)C(C)C)CCN1CC(F)F ZINC000182909303 189339275 /nfs/dbraw/zinc/33/92/75/189339275.db2.gz ULFHNPKEQAPIGZ-PWSUYJOCSA-N 0 3 277.359 1.158 50 0 CDAAHN O=C(c1cncc(F)c1)N1CC[C@H](N2CCCCC2)C1 ZINC000268272685 364022481 /nfs/dbraw/zinc/02/24/81/364022481.db2.gz ODRBEYKTFPCUMV-AWEZNQCLSA-N 0 3 277.343 1.921 50 0 CDAAHN COCCn1cc(NC(=O)[C@@H](C(C)C)N(C)C)ccc1=O ZINC000089791111 366936802 /nfs/dbraw/zinc/93/68/02/366936802.db2.gz DDSGOKCAADCMAN-CQSZACIVSA-N 0 3 295.383 1.019 50 0 CDAAHN CC(C)(NC[C@@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000280098971 367258711 /nfs/dbraw/zinc/25/87/11/367258711.db2.gz SVDWYKGQDTZZDX-LBPRGKRZSA-N 0 3 267.394 1.946 50 0 CDAAHN CN1CCN(C(=O)C[C@@H](N)c2ccccc2)C(C)(C)C1=O ZINC000094866060 367458488 /nfs/dbraw/zinc/45/84/88/367458488.db2.gz OEGAWZPNWJMBRT-CYBMUJFWSA-N 0 3 289.379 1.156 50 0 CDAAHN CN(CCN(C)[C@@H]1CCOC1)C(=O)OC(C)(C)C ZINC000252497935 367645722 /nfs/dbraw/zinc/64/57/22/367645722.db2.gz QRQJTDNPYVUGOJ-LLVKDONJSA-N 0 3 258.362 1.574 50 0 CDAAHN C[C@@H](NCC(C)(C)C(N)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000195558779 296116355 /nfs/dbraw/zinc/11/63/55/296116355.db2.gz PMUUVJMARYXNTD-SNVBAGLBSA-N 0 3 298.408 1.252 50 0 CDAAHN CC(C(=O)N(C)C1CCC(C)(C)CC1)S(C)(=O)=O ZINC000079070766 369793297 /nfs/dbraw/zinc/79/32/97/369793297.db2.gz PMFMAFSMUKZYPK-SNVBAGLBSA-N 0 3 275.414 1.847 50 0 CDAAHN C[C@@H](NC(=O)NCCc1ccccn1)C1=CCN(C)CC1 ZINC000253424920 373733127 /nfs/dbraw/zinc/73/31/27/373733127.db2.gz UXTZWBMHLDTKAS-CYBMUJFWSA-N 0 3 288.395 1.574 50 0 CDAAHN CCN(CC)CC(=O)N1CCO[C@H](Cc2ccccc2)C1 ZINC000012465406 374505911 /nfs/dbraw/zinc/50/59/11/374505911.db2.gz RSSWVYDTQXTSML-MRXNPFEDSA-N 0 3 290.407 1.798 50 0 CDAAHN C[C@H]([C@H](C)O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000108323651 412824959 /nfs/dbraw/zinc/82/49/59/412824959.db2.gz STCDWRMUHCPXON-IJEWVQPXSA-N 0 3 278.396 1.107 50 0 CDAAHN Cc1ccc2c(c1)[nH]c1c2ncn(CCN(C)C)c1=O ZINC000002450885 374592590 /nfs/dbraw/zinc/59/25/90/374592590.db2.gz BMLGWLLBFJOUBC-UHFFFAOYSA-N 0 3 270.336 1.748 50 0 CDAAHN CC(C)N(CC(=O)N1CCN(C)CC1)C[C@H]1C[C@@H]1C ZINC000093193982 374735298 /nfs/dbraw/zinc/73/52/98/374735298.db2.gz MFJCFWOMZNGVGY-UONOGXRCSA-N 0 3 267.417 1.127 50 0 CDAAHN Cn1ncc(N[C@@H]2CCN(C3CCCC3)C2)c(Cl)c1=O ZINC000095389613 374897082 /nfs/dbraw/zinc/89/70/82/374897082.db2.gz WBNHNEVTXRMWOX-SNVBAGLBSA-N 0 3 296.802 1.863 50 0 CDAAHN CCCCN(C)CCNC(=O)N1CCO[C@@H](C)[C@@H]1C ZINC000095422004 374924104 /nfs/dbraw/zinc/92/41/04/374924104.db2.gz PDAJBIUDMKJSQW-STQMWFEESA-N 0 3 271.405 1.537 50 0 CDAAHN Cn1cccc1CN[C@]1(CO)CCc2ccccc21 ZINC000095429769 374930954 /nfs/dbraw/zinc/93/09/54/374930954.db2.gz FPGSMUIJMNAOQH-INIZCTEOSA-N 0 3 256.349 1.949 50 0 CDAAHN CC[C@@H](NC(=O)NC1CCN(CC)CC1)[C@H]1CCCO1 ZINC000095440303 374942915 /nfs/dbraw/zinc/94/29/15/374942915.db2.gz WXKPYXGLTFHHGC-ZIAGYGMSSA-N 0 3 283.416 1.728 50 0 CDAAHN CC(C)(O)C(C)(C)NCC(=O)NCc1cccs1 ZINC000095459769 374957470 /nfs/dbraw/zinc/95/74/70/374957470.db2.gz JCFZBQXJGURGRE-UHFFFAOYSA-N 0 3 270.398 1.503 50 0 CDAAHN CCOCCCCNC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000097049218 375140642 /nfs/dbraw/zinc/14/06/42/375140642.db2.gz YCRALOCODWRVFF-HUUCEWRRSA-N 0 3 297.443 1.929 50 0 CDAAHN CN(C[C@H]1CCCN(C)C1)C(=O)[C@H](N)c1ccccc1 ZINC000299740135 375201208 /nfs/dbraw/zinc/20/12/08/375201208.db2.gz WEEYJRVVIVIRKZ-DZGCQCFKSA-N 0 3 275.396 1.487 50 0 CDAAHN CC(C)CN1CCO[C@H](CCNC(=O)c2ccc[nH]2)C1 ZINC000067804574 377239994 /nfs/dbraw/zinc/23/99/94/377239994.db2.gz JPZWZLJLTBKUHH-CYBMUJFWSA-N 0 3 279.384 1.491 50 0 CDAAHN O=C(Nc1ccc(F)cc1)c1n[nH]c2c1CNCC2 ZINC000042784050 390430213 /nfs/dbraw/zinc/43/02/13/390430213.db2.gz SQASIAADEYJOBK-UHFFFAOYSA-N 0 3 260.272 1.447 50 0 CDAAHN Cc1n[nH]c(C)c1CNCCNC(=O)c1cccs1 ZINC000097159615 390800967 /nfs/dbraw/zinc/80/09/67/390800967.db2.gz DRPKXYINJVCUFH-UHFFFAOYSA-N 0 3 278.381 1.608 50 0 CDAAHN Cc1cn2cc(C(=O)N3CC[C@H](N(C)C)C3)ccc2n1 ZINC000082108866 390838208 /nfs/dbraw/zinc/83/82/08/390838208.db2.gz OKOVLFYGAGJTLF-ZDUSSCGKSA-N 0 3 272.352 1.419 50 0 CDAAHN CCN1CC[C@@H](Nc2nc(C)nc3oc(C)nc32)C1 ZINC000063869542 391193264 /nfs/dbraw/zinc/19/32/64/391193264.db2.gz JGHNMVDCYWDQCW-SNVBAGLBSA-N 0 3 261.329 1.741 50 0 CDAAHN Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)[C@@H](C)N)cc1 ZINC000119054380 292094689 /nfs/dbraw/zinc/09/46/89/292094689.db2.gz FTGWQSHTLZIORJ-GDBMZVCRSA-N 0 3 290.407 1.892 50 0 CDAAHN 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VIKNQNSMFXMCOY-DZGCQCFKSA-N 0 3 290.363 1.294 50 0 CDAAHN Cc1ccc(CN2CC[C@H](C(N)=O)C2)cc1Cl ZINC000193588904 362976647 /nfs/dbraw/zinc/97/66/47/362976647.db2.gz NEXICDXNLZNOSV-NSHDSACASA-N 0 3 252.745 1.956 50 0 CDAAHN COc1ccc(CNC[C@@H]2CCCO2)cc1OC ZINC000000299726 355901966 /nfs/dbraw/zinc/90/19/66/355901966.db2.gz ZPKUANIUQZWSSL-LBPRGKRZSA-N 0 3 251.326 1.972 50 0 CDAAHN O=C(CN[C@H]1CCCSC1)NCCc1ccccc1 ZINC000097371057 356089046 /nfs/dbraw/zinc/08/90/46/356089046.db2.gz ZBWQHKUKVZQWGV-AWEZNQCLSA-N 0 3 278.421 1.831 50 0 CDAAHN Cc1cc2oc(=O)cc(CN(C)CCO)c2cc1C ZINC000004340572 356304358 /nfs/dbraw/zinc/30/43/58/356304358.db2.gz NXPJHRDROQNVOU-UHFFFAOYSA-N 0 3 261.321 1.834 50 0 biogenic CDAAHN O=C(Cn1cncn1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000032903745 356421680 /nfs/dbraw/zinc/42/16/80/356421680.db2.gz XYIZKVCUJPQCOL-OAHLLOKOSA-N 0 3 299.378 1.231 50 0 CDAAHN CCN1CCN(CCC(=O)Nc2cccc(OC)c2)CC1 ZINC000019359354 356483089 /nfs/dbraw/zinc/48/30/89/356483089.db2.gz QOMKLXICBPQQKA-UHFFFAOYSA-N 0 3 291.395 1.661 50 0 CDAAHN COc1cc(OC)c(OC)cc1CN1CCCN(C)CC1 ZINC000019537681 356491480 /nfs/dbraw/zinc/49/14/80/356491480.db2.gz LBDYZZVDMIATNP-UHFFFAOYSA-N 0 3 294.395 1.850 50 0 CDAAHN Cc1n[nH]cc1CNC1CCN(C(=O)C(C)(C)C)CC1 ZINC000037142534 363469743 /nfs/dbraw/zinc/46/97/43/363469743.db2.gz CBBMBJPVKQFCLM-UHFFFAOYSA-N 0 3 278.400 1.845 50 0 CDAAHN Cc1nc([C@H](C)NC2CSCCSC2)n[nH]1 ZINC000065535461 357548240 /nfs/dbraw/zinc/54/82/40/357548240.db2.gz NGUWZAWOSTZPJD-ZETCQYMHSA-N 0 3 258.416 1.612 50 0 CDAAHN Cn1nc(COCc2cccc(F)c2)c2c1CCNC2 ZINC000066323487 357562081 /nfs/dbraw/zinc/56/20/81/357562081.db2.gz HADDGEDAYKBKRK-UHFFFAOYSA-N 0 3 275.327 1.922 50 0 CDAAHN CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2c([O-])cccc2O)C1 ZINC000067673387 357618232 /nfs/dbraw/zinc/61/82/32/357618232.db2.gz GBIRQQUAWLGXBI-LBPRGKRZSA-N 0 3 292.379 1.806 50 0 CDAAHN CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2c([O-])cccc2O)C1 ZINC000067673387 357618233 /nfs/dbraw/zinc/61/82/33/357618233.db2.gz GBIRQQUAWLGXBI-LBPRGKRZSA-N 0 3 292.379 1.806 50 0 CDAAHN Cc1cc(C(=O)NCC[C@H]2CN(CC(C)C)CCO2)[nH]n1 ZINC000067726064 357621471 /nfs/dbraw/zinc/62/14/71/357621471.db2.gz PFVHYNPIWAEZFV-ZDUSSCGKSA-N 0 3 294.399 1.195 50 0 CDAAHN COc1ccc(C(=O)N2CCN3CCC[C@H]3C2)c(OC)c1 ZINC000027932318 357938343 /nfs/dbraw/zinc/93/83/43/357938343.db2.gz MPKZPVIHODPMLW-LBPRGKRZSA-N 0 3 290.363 1.624 50 0 CDAAHN C[C@H](c1ccccc1)[C@H](C)NCC(=O)NC(=O)NC1CC1 ZINC000097110020 357985925 /nfs/dbraw/zinc/98/59/25/357985925.db2.gz WGLKOWYAGKHJRB-RYUDHWBXSA-N 0 3 289.379 1.756 50 0 CDAAHN COC[C@@H](O)CN(C)C[C@@H](O)c1ccc(Cl)cc1 ZINC000195530853 358559062 /nfs/dbraw/zinc/55/90/62/358559062.db2.gz FFIDXSZSAZAVAS-QWHCGFSZSA-N 0 3 273.760 1.313 50 0 CDAAHN CN(C)[C@@H]1CCN(C(=O)Nc2cccc(F)c2)C1 ZINC000095349192 358682380 /nfs/dbraw/zinc/68/23/80/358682380.db2.gz WMWWLGMQAVXNGG-GFCCVEGCSA-N 0 3 251.305 1.994 50 0 CDAAHN Cc1nccn1Cc1nnc([C@H]2CCCN(C)C2)n1C ZINC000095353333 358682956 /nfs/dbraw/zinc/68/29/56/358682956.db2.gz DSPSCFCIFNFKIC-LBPRGKRZSA-N 0 3 274.372 1.178 50 0 CDAAHN Cc1n[nH]c(C)c1CCCNC(=O)[C@@H]1CCCCCN1C ZINC000095367312 358686847 /nfs/dbraw/zinc/68/68/47/358686847.db2.gz NSLSKJXAUMJYRC-HNNXBMFYSA-N 0 3 292.427 1.950 50 0 CDAAHN COCCC(=O)N1C[C@@H](c2ccc(C)cc2)[C@H](N(C)C)C1 ZINC000095507406 358695991 /nfs/dbraw/zinc/69/59/91/358695991.db2.gz RDYQYDWPTQACDJ-JKSUJKDBSA-N 0 3 290.407 1.888 50 0 CDAAHN CN(CCc1cnn(C)c1)Cc1cc(C2CC2)[nH]n1 ZINC000097213220 358758981 /nfs/dbraw/zinc/75/89/81/358758981.db2.gz IEBPTNDXBVJUIA-UHFFFAOYSA-N 0 3 259.357 1.695 50 0 CDAAHN Cc1occc1C(=O)N1CCN(C2CCCC2)C[C@H](O)C1 ZINC000097698632 358793845 /nfs/dbraw/zinc/79/38/45/358793845.db2.gz UIVMCSNRVYYKPK-AWEZNQCLSA-N 0 3 292.379 1.649 50 0 CDAAHN O=c1cc([C@H]2CCC[NH2+]C2)nc(Cc2ccsc2)[n-]1 ZINC000023339268 359093471 /nfs/dbraw/zinc/09/34/71/359093471.db2.gz RMPDXLZSVRNDSO-NSHDSACASA-N 0 3 275.377 1.889 50 0 CDAAHN COC[C@H](CN1CCN(c2ccccc2)CC1)OC ZINC000071771407 359104995 /nfs/dbraw/zinc/10/49/95/359104995.db2.gz RIDXJEOOMOOKEG-HNNXBMFYSA-N 0 3 264.369 1.470 50 0 CDAAHN CC[C@H](C)[C@H](N)C(=O)NCCc1noc(C(C)C)n1 ZINC000220465045 359174520 /nfs/dbraw/zinc/17/45/20/359174520.db2.gz RADGFRCAECOJAK-ONGXEEELSA-N 0 3 268.361 1.225 50 0 CDAAHN COCCN1CCC(CNC(=O)c2ccc[nH]2)CC1 ZINC000089414441 359284058 /nfs/dbraw/zinc/28/40/58/359284058.db2.gz DYYHZXRREGMHIK-UHFFFAOYSA-N 0 3 265.357 1.103 50 0 CDAAHN c1ccc([C@H]2CCCN2CCN2CCOCC2)nc1 ZINC000571902469 359671785 /nfs/dbraw/zinc/67/17/85/359671785.db2.gz MWGVWMNKLCQMTQ-OAHLLOKOSA-N 0 3 261.369 1.551 50 0 CDAAHN CC(C)[C@@H](NCC(=O)NC1CC1)[C@H](O)c1ccccc1 ZINC000408516361 359899414 /nfs/dbraw/zinc/89/94/14/359899414.db2.gz NCTBCRZQRYTQCU-HZPDHXFCSA-N 0 3 276.380 1.613 50 0 CDAAHN CN(CCCOc1ccccc1)C[C@H]1COC(=O)N1 ZINC000408524206 359933697 /nfs/dbraw/zinc/93/36/97/359933697.db2.gz REEIPXPCTQJGQI-LBPRGKRZSA-N 0 3 264.325 1.496 50 0 CDAAHN C[C@H](N[C@@H]1CCCN(c2ccn(C)n2)C1=O)[C@H]1CCCO1 ZINC000183781882 189367439 /nfs/dbraw/zinc/36/74/39/189367439.db2.gz PKDVEXAPQXECKH-YNEHKIRRSA-N 0 3 292.383 1.073 50 0 CDAAHN Cc1n[nH]c(C)c1CC(=O)NC(C)(C)CN(C)C ZINC000457228520 365292076 /nfs/dbraw/zinc/29/20/76/365292076.db2.gz XLIDGTMYJOAEIS-UHFFFAOYSA-N 0 3 252.362 1.025 50 0 CDAAHN Cc1ccc2nc(CN3CCCCC3)cc(=O)n2c1 ZINC000001651029 369136019 /nfs/dbraw/zinc/13/60/19/369136019.db2.gz ILGQMUKEXZUNBU-UHFFFAOYSA-N 0 3 257.337 1.989 50 0 CDAAHN CSCCCN1CC[C@@H](Nc2ncccn2)[C@H](O)C1 ZINC000299768894 372750756 /nfs/dbraw/zinc/75/07/56/372750756.db2.gz QVVNUOROTJIEJB-VXGBXAGGSA-N 0 3 282.413 1.077 50 0 CDAAHN O=C(N[C@H]1CCCN(C2CCCC2)C1)c1cnc[nH]1 ZINC000299774521 372753053 /nfs/dbraw/zinc/75/30/53/372753053.db2.gz DPPKNMFXJNMLOF-NSHDSACASA-N 0 3 262.357 1.547 50 0 CDAAHN CC[C@H](O)CN1CCN(Cc2ccc(O)c(OC)c2)CC1 ZINC000095467801 374963688 /nfs/dbraw/zinc/96/36/88/374963688.db2.gz WVIZXYTVJZJFCI-AWEZNQCLSA-N 0 3 294.395 1.289 50 0 CDAAHN CC(C(=O)N1CCC(n2cccc2)CC1)S(C)(=O)=O ZINC000058418364 375755393 /nfs/dbraw/zinc/75/53/93/375755393.db2.gz RJXCPSNEBFEOCC-LLVKDONJSA-N 0 3 284.381 1.085 50 0 CDAAHN CC1(C)NC(=O)N(CCN2CC[C@H]3CCCC[C@H]3C2)C1=O ZINC000241795468 376019281 /nfs/dbraw/zinc/01/92/81/376019281.db2.gz RZLCTGGONMSZQL-OLZOCXBDSA-N 0 3 293.411 1.829 50 0 CDAAHN C[C@@H]1CCCCN1CCNC(=O)N[C@H](CCO)C1CC1 ZINC000242302264 376021795 /nfs/dbraw/zinc/02/17/95/376021795.db2.gz YQWYKBRBUCCBAU-TZMCWYRMSA-N 0 3 283.416 1.321 50 0 CDAAHN CCCn1cc(CN2CCN3CCN(C)C[C@H]3C2)c(C)n1 ZINC000244584343 376033264 /nfs/dbraw/zinc/03/32/64/376033264.db2.gz CXNUIIAGFYRCHX-INIZCTEOSA-N 0 3 291.443 1.033 50 0 CDAAHN CCCS(=O)(=O)CCN(C)[C@H]1CCN(CC)C[C@H]1C ZINC000246477363 376875566 /nfs/dbraw/zinc/87/55/66/376875566.db2.gz GHMCJYAQJCAXNM-KGLIPLIRSA-N 0 3 290.473 1.473 50 0 CDAAHN O=C(NC[C@@H]1CCCN(Cc2cnc[nH]2)C1)c1ccco1 ZINC000095513065 390911140 /nfs/dbraw/zinc/91/11/40/390911140.db2.gz FWGTZRBHMIPGCU-LBPRGKRZSA-N 0 3 288.351 1.645 50 0 CDAAHN CN(C(=O)Nc1cccc2n[nH]cc21)[C@@H]1CCN(C)C1 ZINC000299802897 391721572 /nfs/dbraw/zinc/72/15/72/391721572.db2.gz XUWTYLVIMTUUHR-SNVBAGLBSA-N 0 3 273.340 1.731 50 0 CDAAHN CCC[C@H](C)NC(=O)[C@@H]1CCCN(C[C@H]2COCCO2)C1 ZINC000431010252 391706283 /nfs/dbraw/zinc/70/62/83/391706283.db2.gz NFVAZVCQMPNXPU-ZNMIVQPWSA-N 0 3 298.427 1.419 50 0 CDAAHN CC(C)N1CCCC[C@@H]1C(=O)NCCc1cnn(C)c1 ZINC000096421668 393185349 /nfs/dbraw/zinc/18/53/49/393185349.db2.gz QAHDQDNCKFEFCG-CQSZACIVSA-N 0 3 278.400 1.342 50 0 CDAAHN CC(=O)N(Cc1noc(C)n1)[C@H]1CCN(C(C)C)C1 ZINC000084281105 483270439 /nfs/dbraw/zinc/27/04/39/483270439.db2.gz XZADMPFIXCXFTJ-LBPRGKRZSA-N 0 3 266.345 1.209 50 0 CDAAHN CN(C)Cc1ccccc1CNC(=O)c1ccc[nH]c1=O ZINC000009917569 170390865 /nfs/dbraw/zinc/39/08/65/170390865.db2.gz UNMBZOABBVWJKE-UHFFFAOYSA-N 0 3 285.347 1.779 50 0 CDAAHN Cn1cc(CNC[C@H]2COc3ccccc3O2)cn1 ZINC000020138120 171025216 /nfs/dbraw/zinc/02/52/16/171025216.db2.gz MZQUKFAIUVMYSM-LBPRGKRZSA-N 0 3 259.309 1.350 50 0 CDAAHN CNCC(=O)N[C@@H](C)c1cnn(-c2ccccc2OC)c1 ZINC000071681520 176245335 /nfs/dbraw/zinc/24/53/35/176245335.db2.gz DWQONKLKBNPIRA-NSHDSACASA-N 0 3 288.351 1.278 50 0 CDAAHN C/C=C/Cc1nnc(C(=O)N2CCN3CCC[C@@H]3C2)o1 ZINC000071715217 176249541 /nfs/dbraw/zinc/24/95/41/176249541.db2.gz LTKYDKBRQOILFR-KXMPLOMGSA-N 0 3 276.340 1.108 50 0 CDAAHN CC(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000072117805 176319345 /nfs/dbraw/zinc/31/93/45/176319345.db2.gz KNAKTOOJOZFZDV-UHFFFAOYSA-N 0 3 262.353 1.796 50 0 CDAAHN OCCOCCN1CCC[C@H]1c1ccc(F)cc1 ZINC000072153020 176328184 /nfs/dbraw/zinc/32/81/84/176328184.db2.gz GBJTWVSUODMEFK-AWEZNQCLSA-N 0 3 253.317 1.972 50 0 CDAAHN NC(=O)CCN1CCC[C@@H](Nc2ccc(F)cc2)C1 ZINC000072163023 176330654 /nfs/dbraw/zinc/33/06/54/176330654.db2.gz JBKYCQRUHWQNRM-CYBMUJFWSA-N 0 3 265.332 1.577 50 0 CDAAHN Cc1nc(CN2CCN(C[C@@H]3CCOC3)CC2)cs1 ZINC000076877304 177125929 /nfs/dbraw/zinc/12/59/29/177125929.db2.gz ONKVOMAFVZCTKR-ZDUSSCGKSA-N 0 3 281.425 1.606 50 0 CDAAHN Cc1n[nH]c(CCC(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)c1C ZINC000077300837 177250561 /nfs/dbraw/zinc/25/05/61/177250561.db2.gz KNQWOOJGQXIZGL-GXTWGEPZSA-N 0 3 276.384 1.122 50 0 CDAAHN CC(C)(C)OC(=O)N1C[C@H]2CCCCN2C[C@@H]1CN ZINC000238853196 277195904 /nfs/dbraw/zinc/19/59/04/277195904.db2.gz IPIMDODCXFTYQT-NEPJUHHUSA-N 0 3 269.389 1.419 50 0 CDAAHN CN[C@H]1c2cc(Br)ccc2OC[C@H]1CO ZINC000003912788 277301319 /nfs/dbraw/zinc/30/13/19/277301319.db2.gz GRTHRMQDCVCQBA-RDDDGLTNSA-N 0 3 272.142 1.711 50 0 CDAAHN Cc1ccc2nc([C@@H]3CCCN([C@H]4CCNC4=O)C3)[nH]c2c1 ZINC000245944920 281025905 /nfs/dbraw/zinc/02/59/05/281025905.db2.gz BGRAIOFQXOHUIS-DOMZBBRYSA-N 0 3 298.390 1.939 50 0 CDAAHN CC(C)Cc1cc(CN2CCC3(CC2)CNCCO3)no1 ZINC000534580337 328311591 /nfs/dbraw/zinc/31/15/91/328311591.db2.gz ALMANMNSSFQJMC-UHFFFAOYSA-N 0 3 293.411 1.828 50 0 CDAAHN CC(C)C[C@@H](NC1CCOCC1)c1ncnn1C ZINC000534674478 328348995 /nfs/dbraw/zinc/34/89/95/328348995.db2.gz SEHGPJCYQDBBOJ-GFCCVEGCSA-N 0 3 252.362 1.671 50 0 CDAAHN CNC(=O)c1ccc(NC(=O)[C@@H](N)CCSC)c(C)c1 ZINC000040462254 1160545234 /nfs/dbraw/zinc/54/52/34/1160545234.db2.gz YVQRDFYQBPMCIG-NSHDSACASA-N 0 3 295.408 1.374 50 0 CDAAHN 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OCC[C@@H]1CN(Cc2cccnc2)CCN1C1CCCC1 ZINC000020992010 171283754 /nfs/dbraw/zinc/28/37/54/171283754.db2.gz XDRGHQBVNRUVNP-QGZVFWFLSA-N 0 3 289.423 1.893 50 0 CDAAHN COC(=O)[C@@H](C)CN1CCN(Cc2ccccc2)CC1 ZINC000022038909 171350404 /nfs/dbraw/zinc/35/04/04/171350404.db2.gz TYEGCTFOVYJSIJ-AWEZNQCLSA-N 0 3 276.380 1.613 50 0 CDAAHN COc1ccc(OC)c(CN(C)CCN(C)C)c1 ZINC000022454740 171388039 /nfs/dbraw/zinc/38/80/39/171388039.db2.gz OBSDSTHCZKQASY-UHFFFAOYSA-N 0 3 252.358 1.697 50 0 CDAAHN CN(C)C(=O)CN1CCC(NCc2ccccc2F)CC1 ZINC000037211943 173033544 /nfs/dbraw/zinc/03/35/44/173033544.db2.gz ACPYESGWVLTYMB-UHFFFAOYSA-N 0 3 293.386 1.468 50 0 CDAAHN O=c1c2ccccc2cnn1CCN[C@H]1CCSC1 ZINC000065491255 175743122 /nfs/dbraw/zinc/74/31/22/175743122.db2.gz RCXVQUPIVFZBMO-LBPRGKRZSA-N 0 3 275.377 1.492 50 0 CDAAHN COCCN1CCC(c2nccn2[C@H](C)CO)CC1 ZINC000071497725 176191990 /nfs/dbraw/zinc/19/19/90/176191990.db2.gz IOTKGXPRGVGMLR-GFCCVEGCSA-N 0 3 267.373 1.262 50 0 CDAAHN NC(=O)CCN1CCC[C@H](Nc2ccc(F)cc2)C1 ZINC000072163024 176330278 /nfs/dbraw/zinc/33/02/78/176330278.db2.gz JBKYCQRUHWQNRM-ZDUSSCGKSA-N 0 3 265.332 1.577 50 0 CDAAHN Cc1noc(C)c1CN1CCC[C@@](O)(CO)CC1 ZINC000072166752 176331595 /nfs/dbraw/zinc/33/15/95/176331595.db2.gz VVHJZVSIMAJSJK-ZDUSSCGKSA-N 0 3 254.330 1.001 50 0 CDAAHN CCCc1cnc(C)nc1N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000077456559 177270841 /nfs/dbraw/zinc/27/08/41/177270841.db2.gz OIPJLCXGSAAHOB-UONOGXRCSA-N 0 3 260.385 1.878 50 0 CDAAHN CCCN1CCN(c2nn3nnnc3c3ccccc32)CC1 ZINC000021777493 273614510 /nfs/dbraw/zinc/61/45/10/273614510.db2.gz XQOJJLADWWRRNW-UHFFFAOYSA-N 0 3 297.366 1.205 50 0 CDAAHN CN1CCC(Oc2ccccc2-n2cnnc2)CC1 ZINC000065386646 273870930 /nfs/dbraw/zinc/87/09/30/273870930.db2.gz FBKBYPZSMIIVGD-UHFFFAOYSA-N 0 3 258.325 1.740 50 0 CDAAHN Nc1cc(CN2CC3(CCOCC3)CC[C@H]2CO)ccn1 ZINC000528643961 281264941 /nfs/dbraw/zinc/26/49/41/281264941.db2.gz IHTQNOKPNKBUCF-AWEZNQCLSA-N 0 3 291.395 1.248 50 0 CDAAHN C[C@H](C(=O)NC(=O)NC1CC1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000027356612 289332454 /nfs/dbraw/zinc/33/24/54/289332454.db2.gz YKSYXOUHZNRPLC-FRRDWIJNSA-N 0 3 293.411 1.875 50 0 CDAAHN Cc1nn(CCO)c(C)c1CN1CC[C@H](O)CC(C)(C)C1 ZINC000670441044 482985562 /nfs/dbraw/zinc/98/55/62/482985562.db2.gz PDFYIXHOFVHSBW-AWEZNQCLSA-N 0 3 295.427 1.475 50 0 CDAAHN CSCCC(=O)N1C[C@H]2CCC[C@@H](C1)N(C)C2 ZINC000670447700 483001365 /nfs/dbraw/zinc/00/13/65/483001365.db2.gz JQLBMIKCTFJAJC-RYUDHWBXSA-N 0 3 256.415 1.682 50 0 CDAAHN O=C(N[C@H]1CCN(CC2CC2)C1)N1CC[C@@]2(CCOC2)C1 ZINC000674924368 483189057 /nfs/dbraw/zinc/18/90/57/483189057.db2.gz FOSYVWHOJMLFFT-GOEBONIOSA-N 0 3 293.411 1.293 50 0 CDAAHN CCC[C@@]1(C)NC(=O)N(CC[C@H]2CCCCN2C)C1=O ZINC000084740531 483322393 /nfs/dbraw/zinc/32/23/93/483322393.db2.gz OPOXHXKECXOTKQ-IUODEOHRSA-N 0 3 281.400 1.971 50 0 CDAAHN Cc1cnccc1CNC(=O)CSCCN1CCCC1 ZINC000223683905 526230864 /nfs/dbraw/zinc/23/08/64/526230864.db2.gz UWEXTQYCDBCRKS-UHFFFAOYSA-N 0 3 293.436 1.835 50 0 CDAAHN CCCO[C@H]1CCCN(C(=O)CN2CCCN(C)CC2)C1 ZINC000952963246 614951806 /nfs/dbraw/zinc/95/18/06/614951806.db2.gz GOVHRNBCMSAVMI-HNNXBMFYSA-N 0 3 297.443 1.042 50 0 CDAAHN CCCO[C@H]1CCCN(CCn2c(=O)cc(C)[nH]c2=O)C1 ZINC001704356255 1177701184 /nfs/dbraw/zinc/70/11/84/1177701184.db2.gz FRBRMXDDOPJZBM-ZDUSSCGKSA-N 0 3 295.383 1.148 50 0 CDAAHN O=C(CN1CCCCCC1)N[C@H](CO)Cc1ccccc1 ZINC000065492389 1164489472 /nfs/dbraw/zinc/48/94/72/1164489472.db2.gz NBOYMZFTHHVRPZ-INIZCTEOSA-N 0 3 290.407 1.582 50 0 CDAAHN Cc1nccn1CC[C@H](C)NCc1nncn1C(C)C ZINC000821182131 925567293 /nfs/dbraw/zinc/56/72/93/925567293.db2.gz YTDMRVFJRIUCDR-LBPRGKRZSA-N 0 3 276.388 1.932 50 0 CDAAHN O=C(NCCCCO)[C@@H]1CCN(Cc2ccc(F)cc2)C1 ZINC000585091086 930927375 /nfs/dbraw/zinc/92/73/75/930927375.db2.gz VQMOEXTVDCRTDG-CQSZACIVSA-N 0 3 294.370 1.536 50 0 CDAAHN C=CC(=O)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000404184079 940956416 /nfs/dbraw/zinc/95/64/16/940956416.db2.gz ACFWICWWQPPDNO-JKSUJKDBSA-N 0 3 286.375 1.674 50 0 CDAAHN CNC(=O)c1cccnc1NC[C@@H]1CCCCN1C ZINC001529142441 968993541 /nfs/dbraw/zinc/99/35/41/968993541.db2.gz OFRWZXZVVAFHHS-NSHDSACASA-N 0 3 262.357 1.337 50 0 CDAAHN CC(=O)NC(C)(C)C[C@H](C)NCc1cnc(C)cn1 ZINC001506425032 975159628 /nfs/dbraw/zinc/15/96/28/975159628.db2.gz BTNZUXZHGOVJLD-JTQLQIEISA-N 0 3 264.373 1.568 50 0 CDAAHN COC(=O)C1(CNCc2ccnn2C)CCCCC1 ZINC000097373157 342002674 /nfs/dbraw/zinc/00/26/74/342002674.db2.gz JOQPRELGVBJKAY-UHFFFAOYSA-N 0 3 265.357 1.633 50 0 CDAAHN Cc1cc([C@H](C)NCCN(C)S(C)(=O)=O)c(C)s1 ZINC000097373649 342002705 /nfs/dbraw/zinc/00/27/05/342002705.db2.gz GCJKEMAYAXTRAW-JTQLQIEISA-N 0 3 290.454 1.907 50 0 CDAAHN CCN1CCCC[C@H]1CNc1cncc(OCCO)n1 ZINC000095941842 185036718 /nfs/dbraw/zinc/03/67/18/185036718.db2.gz ZXCNEROZZQRXKG-LBPRGKRZSA-N 0 3 280.372 1.134 50 0 CDAAHN COCCN1CC[C@H](CNC(=O)Nc2cncc(F)c2)C1 ZINC000096140242 185105833 /nfs/dbraw/zinc/10/58/33/185105833.db2.gz XDKXQRSDCUBFOA-LLVKDONJSA-N 0 3 296.346 1.311 50 0 CDAAHN CCn1ccc(CN2CC(N3CCCC[C@H]3C)C2)n1 ZINC000244652078 361855043 /nfs/dbraw/zinc/85/50/43/361855043.db2.gz GZKAUEOOJPYJLU-CYBMUJFWSA-N 0 3 262.401 1.962 50 0 CDAAHN CC[C@H](O)CN1CCC(Nc2ncc(Cl)cn2)CC1 ZINC000097033932 185156497 /nfs/dbraw/zinc/15/64/97/185156497.db2.gz UUSRIFKHMSPRMV-LBPRGKRZSA-N 0 3 284.791 1.777 50 0 CDAAHN CN1CCN(Cc2nnnn2C(C)(C)C)C[C@H]1C(C)(C)C ZINC000585116478 362045060 /nfs/dbraw/zinc/04/50/60/362045060.db2.gz YFIVAQOXLFZDGU-LBPRGKRZSA-N 0 3 294.447 1.590 50 0 CDAAHN CC(C)CN(CCn1cncn1)Cc1cnn(C)c1 ZINC000252499234 362388620 /nfs/dbraw/zinc/38/86/20/362388620.db2.gz RXOYBGHKDMXWPY-UHFFFAOYSA-N 0 3 262.361 1.170 50 0 CDAAHN C[C@H](CS(C)(=O)=O)NCc1ccc2[nH]cnc2c1 ZINC000603517068 344816097 /nfs/dbraw/zinc/81/60/97/344816097.db2.gz QVIDJGASSNCMPC-SECBINFHSA-N 0 3 267.354 1.086 50 0 CDAAHN C[C@H](CS(C)(=O)=O)NCc1ccc2nc[nH]c2c1 ZINC000603517068 344816099 /nfs/dbraw/zinc/81/60/99/344816099.db2.gz QVIDJGASSNCMPC-SECBINFHSA-N 0 3 267.354 1.086 50 0 CDAAHN Cc1cc(CN(C)CC(C)(C)CN2CCOCC2)ncn1 ZINC000293267029 362551197 /nfs/dbraw/zinc/55/11/97/362551197.db2.gz SIFSGDRQVVNJNF-UHFFFAOYSA-N 0 3 292.427 1.575 50 0 CDAAHN CCC[C@@H](C)N1CCN(Cc2nc(COC)no2)CC1 ZINC000192839200 362713706 /nfs/dbraw/zinc/71/37/06/362713706.db2.gz UNUULERUYANHEA-GFCCVEGCSA-N 0 3 282.388 1.522 50 0 CDAAHN Cc1cnc(CN2CCNC[C@@H]2c2ccccc2)cn1 ZINC000086177743 179246795 /nfs/dbraw/zinc/24/67/95/179246795.db2.gz SCJHXVQPKRXPJR-MRXNPFEDSA-N 0 3 268.364 1.932 50 0 CDAAHN CCOc1ccc(CN(C)C[C@H]2CCOC2)cn1 ZINC000584887730 349346622 /nfs/dbraw/zinc/34/66/22/349346622.db2.gz UJILXRUVEKLPFF-CYBMUJFWSA-N 0 3 250.342 1.949 50 0 CDAAHN O=C(C[C@H]1CCOC1)N1CCN(CC2CCCC2)CC1 ZINC000584891570 349350427 /nfs/dbraw/zinc/35/04/27/349350427.db2.gz ZPGKUAOVZPZFRM-OAHLLOKOSA-N 0 3 280.412 1.747 50 0 CDAAHN CCCOC[C@@H]1CCN(c2cc(C)nc(N)n2)C1 ZINC000091551263 180188744 /nfs/dbraw/zinc/18/87/44/180188744.db2.gz MOTWRVDLUMCZJA-LLVKDONJSA-N 0 3 250.346 1.620 50 0 CDAAHN COCCN1C[C@H]2CC[C@@H]1CN(Cc1scnc1C)C2 ZINC000091695326 180228977 /nfs/dbraw/zinc/22/89/77/180228977.db2.gz VGVINJJQUPVPQH-UONOGXRCSA-N 0 3 295.452 1.994 50 0 CDAAHN Cc1cc(NCCc2nc3c(c(C)n2)CCC3)nc(N)n1 ZINC000092062206 180315708 /nfs/dbraw/zinc/31/57/08/180315708.db2.gz UTLJIWSAXVEPGE-UHFFFAOYSA-N 0 3 284.367 1.609 50 0 CDAAHN CCCC[C@H](N[C@@H](C)[C@H](C)n1cccn1)C(N)=O ZINC000106790405 186135449 /nfs/dbraw/zinc/13/54/49/186135449.db2.gz CKMWRMFYBLTZPM-SRVKXCTJSA-N 0 3 252.362 1.466 50 0 CDAAHN CCNCc1c(C)nn(-c2ccccc2)c1-n1cncn1 ZINC000034825225 355911605 /nfs/dbraw/zinc/91/16/05/355911605.db2.gz LTCQSMKBFAAKIW-UHFFFAOYSA-N 0 3 282.351 1.871 50 0 CDAAHN CCNCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000003284900 355998158 /nfs/dbraw/zinc/99/81/58/355998158.db2.gz YACYERLLOAKNEZ-UHFFFAOYSA-N 0 3 263.341 1.071 50 0 CDAAHN C[C@H](N[C@@H]1CCN(c2ccccc2)C1=O)[C@H]1CCCO1 ZINC000097373179 356093737 /nfs/dbraw/zinc/09/37/37/356093737.db2.gz IDYYTJXAGAFCHE-NWANDNLSSA-N 0 3 274.364 1.949 50 0 CDAAHN NC(=O)c1nnsc1N1CCC(N2CCCCC2)CC1 ZINC000004401534 356334771 /nfs/dbraw/zinc/33/47/71/356334771.db2.gz GJDWMDXHIYRWLP-UHFFFAOYSA-N 0 3 295.412 1.092 50 0 CDAAHN CCc1ccc(OCC(=O)NC2CCN(C)CC2)cc1 ZINC000016580017 356442007 /nfs/dbraw/zinc/44/20/07/356442007.db2.gz IOCKMGJLVIYAJI-UHFFFAOYSA-N 0 3 276.380 1.838 50 0 CDAAHN Cc1nonc1-c1nc(-c2c(C)ncc3c2CCNC3)no1 ZINC000020119823 356526375 /nfs/dbraw/zinc/52/63/75/356526375.db2.gz ZPRCAJLJJHIXCK-UHFFFAOYSA-N 0 3 298.306 1.444 50 0 CDAAHN Cc1cccc(-c2ccc(N3CCNCC3)nn2)c1 ZINC000032918546 356790295 /nfs/dbraw/zinc/79/02/95/356790295.db2.gz KZWYGBMCLGTNCJ-UHFFFAOYSA-N 0 3 254.337 1.862 50 0 CDAAHN CC(C)(C)OC(=O)NCC(N)CNC(=O)OC(C)(C)C ZINC000034494183 356815695 /nfs/dbraw/zinc/81/56/95/356815695.db2.gz QYVFEFFJTQKDTK-UHFFFAOYSA-N 0 3 289.376 1.363 50 0 CDAAHN COCCn1cc(CNC[C@@H]2CCCn3ccnc32)cn1 ZINC000083912248 357110850 /nfs/dbraw/zinc/11/08/50/357110850.db2.gz AJTZSZKCEUGLNT-AWEZNQCLSA-N 0 3 289.383 1.393 50 0 CDAAHN CN1CCC(NC(=O)CCc2ccc3c(c2)OCO3)CC1 ZINC000047615822 357161348 /nfs/dbraw/zinc/16/13/48/357161348.db2.gz MHZUHBZXDLLTDP-UHFFFAOYSA-N 0 3 290.363 1.558 50 0 CDAAHN Cc1nc(C)n(C[C@H]2CCCN(Cc3cnn(C)c3)C2)n1 ZINC000084280399 357121559 /nfs/dbraw/zinc/12/15/59/357121559.db2.gz IVFBKVKXJDLPSZ-AWEZNQCLSA-N 0 3 288.399 1.541 50 0 CDAAHN COC[C@H](Cc1ccccc1)NC[C@@H]1CCS(=O)(=O)C1 ZINC000095419616 357333871 /nfs/dbraw/zinc/33/38/71/357333871.db2.gz HBUPBNBOXGQNEM-GJZGRUSLSA-N 0 3 297.420 1.268 50 0 CDAAHN OCCn1cc(C2=CCN(CCn3cccc3)CC2)cn1 ZINC000065407019 357539228 /nfs/dbraw/zinc/53/92/28/357539228.db2.gz CFJIHOSZPCTKSB-UHFFFAOYSA-N 0 3 286.379 1.466 50 0 CDAAHN O=c1c2ccccc2cnn1CCN[C@@H]1CCSC1 ZINC000065491253 357544878 /nfs/dbraw/zinc/54/48/78/357544878.db2.gz RCXVQUPIVFZBMO-GFCCVEGCSA-N 0 3 275.377 1.492 50 0 CDAAHN CC(=O)N[C@@H]1CCN(Cc2cc3ccc(C)cc3[nH]c2=O)C1 ZINC000067884104 357635201 /nfs/dbraw/zinc/63/52/01/357635201.db2.gz JPZUVPIYYVZHBI-OAHLLOKOSA-N 0 3 299.374 1.547 50 0 CDAAHN CNS(=O)(=O)CCCN[C@@H](C)c1ccc(C)o1 ZINC000097111302 357986945 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/nfs/dbraw/zinc/85/24/51/930852451.db2.gz GJCCCJQGRZZWAK-JMERFSKESA-N 0 3 288.457 1.382 50 0 CDAAHN CON(C)CCNCc1c(C)nc2sc(C)cn12 ZINC000585118339 930979930 /nfs/dbraw/zinc/97/99/30/930979930.db2.gz LBDKGXBYJXFJHO-UHFFFAOYSA-N 0 3 268.386 1.595 50 0 CDAAHN CN(C)c1nc2ccc(NCc3cnn(C)c3)cc2[nH]1 ZINC000585118530 930981691 /nfs/dbraw/zinc/98/16/91/930981691.db2.gz SEHKPRQQHMVCMN-UHFFFAOYSA-N 0 3 270.340 1.975 50 0 CDAAHN CCCS(=O)(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000189151083 365577795 /nfs/dbraw/zinc/57/77/95/365577795.db2.gz RARGNOWWILPFCH-RYUDHWBXSA-N 0 3 262.419 1.436 50 0 CDAAHN CC(C)(C)[C@@H](O)C[C@H](CO)NCc1cnn2ccccc12 ZINC000241301042 361752384 /nfs/dbraw/zinc/75/23/84/361752384.db2.gz LPXKIEWONAQRQE-HIFRSBDPSA-N 0 3 291.395 1.582 50 0 CDAAHN Cc1cccc(C)c1OCCOCCN(C)CCO ZINC000002980663 342089106 /nfs/dbraw/zinc/08/91/06/342089106.db2.gz BJBJBUIVGDONHF-UHFFFAOYSA-N 0 3 267.369 1.623 50 0 CDAAHN CC(C)CCC(=O)N1CCN(C(=O)[C@@H](N)C(C)(C)C)CC1 ZINC000195543320 342626731 /nfs/dbraw/zinc/62/67/31/342626731.db2.gz UBOFVBDEXYATMB-CQSZACIVSA-N 0 3 297.443 1.467 50 0 CDAAHN C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1F)N(C)C ZINC000252517134 361848688 /nfs/dbraw/zinc/84/86/88/361848688.db2.gz AQMPYSMONIEUKG-KGYLQXTDSA-N 0 3 264.344 1.996 50 0 CDAAHN Cc1cccc(CCNC(=O)N2CC[C@H](N(C)C)C2)n1 ZINC000350624285 539092529 /nfs/dbraw/zinc/09/25/29/539092529.db2.gz BBFWQFRJCYFHOM-AWEZNQCLSA-N 0 3 276.384 1.278 50 0 CDAAHN CCCCNC(=O)[C@@H](C)N1C[C@@H](C)N(CC)[C@@H](C)C1 ZINC000585116119 362043297 /nfs/dbraw/zinc/04/32/97/362043297.db2.gz HRPZFKXUQZLWMC-HZSPNIEDSA-N 0 3 269.433 1.706 50 0 CDAAHN COC(=O)C(C)(C)CNCc1cnc2cnccn12 ZINC000097237849 185571443 /nfs/dbraw/zinc/57/14/43/185571443.db2.gz IBHUEMCFLVIGKJ-UHFFFAOYSA-N 0 3 262.313 1.018 50 0 CDAAHN Cc1sc2nc(N3CCNCC3)n3ncnc3c2c1C ZINC000015083497 282484943 /nfs/dbraw/zinc/48/49/43/282484943.db2.gz ZJCOOGAGGJZPQZ-UHFFFAOYSA-N 0 3 288.380 1.365 50 0 CDAAHN Cc1cc(C(=O)N2CCC[C@H](N(C)C)C2)cc(C)n1 ZINC000584892976 349352648 /nfs/dbraw/zinc/35/26/48/349352648.db2.gz ATMLJOOEPUEKJS-AWEZNQCLSA-N 0 3 261.369 1.865 50 0 CDAAHN COCc1cc(CNC(=O)[C@@H]2CCCCCN2C)[nH]n1 ZINC000091289094 180122352 /nfs/dbraw/zinc/12/23/52/180122352.db2.gz PAPALQOJCYFDGF-ZDUSSCGKSA-N 0 3 280.372 1.047 50 0 CDAAHN CC[C@@]1(CO)CCCN(Cc2[nH]cc(C)c(=O)c2C)C1 ZINC000091462095 180162498 /nfs/dbraw/zinc/16/24/98/180162498.db2.gz AXQRRBFEKUJFMT-MRXNPFEDSA-N 0 3 278.396 1.976 50 0 CDAAHN CCOc1cc(CNC[C@@H]2CN(C)CCO2)ccc1OC ZINC000105472496 186058697 /nfs/dbraw/zinc/05/86/97/186058697.db2.gz XKMYGHPFQFFLRX-CQSZACIVSA-N 0 3 294.395 1.514 50 0 CDAAHN CC(C)CN1CCN(Cc2ccncc2)C[C@H]1CCO ZINC000106980026 186154623 /nfs/dbraw/zinc/15/46/23/186154623.db2.gz VUSIRGSVBFXBFO-MRXNPFEDSA-N 0 3 277.412 1.606 50 0 CDAAHN COC(=O)Cn1cc(CN[C@@H]2CCC[C@@H](C)[C@@H]2C)nn1 ZINC000108465364 186218607 /nfs/dbraw/zinc/21/86/07/186218607.db2.gz ZLVQHAVNPPONMD-NTZNESFSSA-N 0 3 280.372 1.365 50 0 CDAAHN CN1CC[C@H](N2CC[C@@H](COCc3ccccc3)C2)C1=O ZINC000195531497 363456855 /nfs/dbraw/zinc/45/68/55/363456855.db2.gz PSLYIYOXMTWNHE-CVEARBPZSA-N 0 3 288.391 1.756 50 0 CDAAHN COCCNC(=S)N1CCN(C2CCCCC2)CC1 ZINC000002872665 355985542 /nfs/dbraw/zinc/98/55/42/355985542.db2.gz XSAYZLQNVWFUTK-UHFFFAOYSA-N 0 3 285.457 1.458 50 0 CDAAHN CCOC(CCNC[C@@H](O)C(F)(F)F)OCC ZINC000004092410 356018194 /nfs/dbraw/zinc/01/81/94/356018194.db2.gz PUWYVRMSYNFZKC-MRVPVSSYSA-N 0 3 259.268 1.288 50 0 CDAAHN CCOc1ccc(CNCCO)cc1Br ZINC000010473823 356259055 /nfs/dbraw/zinc/25/90/55/356259055.db2.gz PVRLEPZDIKSJLK-UHFFFAOYSA-N 0 3 274.158 1.930 50 0 CDAAHN Cc1ccc(CN(C)CCn2nc3ccccn3c2=O)cc1 ZINC000032777999 356363696 /nfs/dbraw/zinc/36/36/96/356363696.db2.gz DLDQFONUQIHYSB-UHFFFAOYSA-N 0 3 296.374 1.936 50 0 CDAAHN CC(C)[C@H](NCC(=O)NC(N)=O)c1ccc(Cl)cc1 ZINC000014898104 356399593 /nfs/dbraw/zinc/39/95/93/356399593.db2.gz ZOBXBWBJIXHSES-LBPRGKRZSA-N 0 3 283.759 1.822 50 0 CDAAHN Cc1cc(S(C)(=O)=O)ccc1N1CCN[C@@H](C)C1 ZINC000015443248 356416580 /nfs/dbraw/zinc/41/65/80/356416580.db2.gz BWDYUGMPCHGURQ-NSHDSACASA-N 0 3 268.382 1.197 50 0 CDAAHN Cn1cc(CN2CCC(CCC(=O)NC3CC3)CC2)cn1 ZINC000014980649 356402265 /nfs/dbraw/zinc/40/22/65/356402265.db2.gz SDFNXFRMOVCKKC-UHFFFAOYSA-N 0 3 290.411 1.691 50 0 CDAAHN COc1ccc(NC(=O)CCN2CCN(C)CC2)cc1 ZINC000019590022 356493522 /nfs/dbraw/zinc/49/35/22/356493522.db2.gz DNFWIHUTQWOVCR-UHFFFAOYSA-N 0 3 277.368 1.271 50 0 CDAAHN O=C(CNC[C@@H]1CCCO1)Nc1ccc(F)cc1 ZINC000020055608 356523915 /nfs/dbraw/zinc/52/39/15/356523915.db2.gz OUQNNAPDHBVYRR-LBPRGKRZSA-N 0 3 252.289 1.533 50 0 CDAAHN CN1CCN(CCCCOc2ccccc2CO)CC1 ZINC000022995817 356626206 /nfs/dbraw/zinc/62/62/06/356626206.db2.gz GDBWRHHCEPPMRK-UHFFFAOYSA-N 0 3 278.396 1.585 50 0 CDAAHN CCN1CCN(C[C@H](O)COCc2ccc(C)cc2)CC1 ZINC000023114584 356627964 /nfs/dbraw/zinc/62/79/64/356627964.db2.gz XSMDWQCZZRUWPK-KRWDZBQOSA-N 0 3 292.423 1.510 50 0 CDAAHN O=C(CN1CC[C@H]2CCCC[C@@H]2C1)NC(=O)NC1CC1 ZINC000025411067 356674104 /nfs/dbraw/zinc/67/41/04/356674104.db2.gz XFOVAHPTPXAMRY-VXGBXAGGSA-N 0 3 279.384 1.487 50 0 CDAAHN Cc1nccn1CC1CCN(c2ccnc(CO)c2)CC1 ZINC000032511755 356781791 /nfs/dbraw/zinc/78/17/91/356781791.db2.gz CORXMBGJKJBKLK-UHFFFAOYSA-N 0 3 286.379 1.995 50 0 CDAAHN CC(C)(CN1CCOCC1)CN1CCOC2(CCCC2)C1 ZINC000032581058 356782645 /nfs/dbraw/zinc/78/26/45/356782645.db2.gz WXTKKBXJDJGAKF-UHFFFAOYSA-N 0 3 296.455 1.990 50 0 CDAAHN CN(C)[C@@H]1CC=CC(=O)N(Cc2ccccc2)C1=O ZINC000045069498 363571670 /nfs/dbraw/zinc/57/16/70/363571670.db2.gz GOGKOMXYTKJKTQ-CYBMUJFWSA-N 0 3 258.321 1.432 50 0 CDAAHN C[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)Cc1ccccc1 ZINC000247319853 357440451 /nfs/dbraw/zinc/44/04/51/357440451.db2.gz ONZYZNXQYYPWSN-HIFRSBDPSA-N 0 3 294.420 1.685 50 0 CDAAHN CCN(CC)C(=O)N1CCC[C@H]1CN1CCC[C@@H]1CO ZINC000095433352 357563467 /nfs/dbraw/zinc/56/34/67/357563467.db2.gz KGMNIUHAYFHWJW-UONOGXRCSA-N 0 3 283.416 1.369 50 0 CDAAHN CCN(CC)S(=O)(=O)NCC[C@H]1CCCN(CC)C1 ZINC000067821740 357630051 /nfs/dbraw/zinc/63/00/51/357630051.db2.gz HWSXUVWNUBTNJX-CYBMUJFWSA-N 0 3 291.461 1.285 50 0 CDAAHN COc1ccc2[nH]c(CN[C@H](C)Cn3ccnc3)nc2c1 ZINC000067724485 357621457 /nfs/dbraw/zinc/62/14/57/357621457.db2.gz SLHJFNVHNOGVOR-LLVKDONJSA-N 0 3 285.351 1.946 50 0 CDAAHN COc1ccc2nc(CN[C@H](C)Cn3ccnc3)[nH]c2c1 ZINC000067724485 357621459 /nfs/dbraw/zinc/62/14/59/357621459.db2.gz SLHJFNVHNOGVOR-LLVKDONJSA-N 0 3 285.351 1.946 50 0 CDAAHN C[C@@H](C1CCN(Cc2ncc[nH]2)CC1)N1CCOCC1 ZINC000072474381 357838160 /nfs/dbraw/zinc/83/81/60/357838160.db2.gz SXXZNGRNXDTNAN-ZDUSSCGKSA-N 0 3 278.400 1.342 50 0 CDAAHN COC(=O)c1ccc(CN[C@H]2CCCC[C@H]2O)s1 ZINC000097102610 357972090 /nfs/dbraw/zinc/97/20/90/357972090.db2.gz QWRCKNHABXQISK-WDEREUQCSA-N 0 3 269.366 1.928 50 0 CDAAHN C[C@@H](NCCS(=O)(=O)c1ccccc1)[C@H]1CCCO1 ZINC000097108727 357983785 /nfs/dbraw/zinc/98/37/85/357983785.db2.gz URJHRYJJCKRWBM-TZMCWYRMSA-N 0 3 283.393 1.617 50 0 CDAAHN C[C@@H](NCCNS(=O)(=O)c1ccccc1)[C@H]1CCCO1 ZINC000097108751 357984365 /nfs/dbraw/zinc/98/43/65/357984365.db2.gz LYQBXOXWASLSHF-TZMCWYRMSA-N 0 3 298.408 1.122 50 0 CDAAHN O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1c[n-]nn1 ZINC000193719030 358319546 /nfs/dbraw/zinc/31/95/46/358319546.db2.gz ZHWLBXORQVZPLU-UHFFFAOYSA-N 0 3 285.351 1.331 50 0 CDAAHN O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cnn[n-]1 ZINC000193719030 358319553 /nfs/dbraw/zinc/31/95/53/358319553.db2.gz ZHWLBXORQVZPLU-UHFFFAOYSA-N 0 3 285.351 1.331 50 0 CDAAHN O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cn[n-]n1 ZINC000193719030 358319555 /nfs/dbraw/zinc/31/95/55/358319555.db2.gz ZHWLBXORQVZPLU-UHFFFAOYSA-N 0 3 285.351 1.331 50 0 CDAAHN COc1cccc([C@H](CNCC(=O)NC(C)C)N(C)C)c1 ZINC000020070526 358321031 /nfs/dbraw/zinc/32/10/31/358321031.db2.gz MCDIFBWQRPZJFQ-HNNXBMFYSA-N 0 3 293.411 1.412 50 0 CDAAHN C[C@H](N[C@H]1CCN(c2ccccc2)C1=O)[C@@H]1CCCO1 ZINC000195560762 358564364 /nfs/dbraw/zinc/56/43/64/358564364.db2.gz IDYYTJXAGAFCHE-QEJZJMRPSA-N 0 3 274.364 1.949 50 0 CDAAHN CN(C)[C@H]1CN(Cc2ccc(F)cc2Cl)C[C@@H]1O ZINC000097660523 358791011 /nfs/dbraw/zinc/79/10/11/358791011.db2.gz DAERVMLOCSWLSO-STQMWFEESA-N 0 3 272.751 1.586 50 0 CDAAHN CCc1ccc(CN2C[C@H](O)[C@@H](N3CCCC3)C2)nc1 ZINC000214952972 358864485 /nfs/dbraw/zinc/86/44/85/358864485.db2.gz ANGMKZRSHKFSPQ-HOTGVXAUSA-N 0 3 275.396 1.285 50 0 CDAAHN C[C@@H](c1ccncn1)N(C)C(=O)CN(C)C1CCCC1 ZINC000223153468 359404087 /nfs/dbraw/zinc/40/40/87/359404087.db2.gz UILDBPJOLLNSJG-LBPRGKRZSA-N 0 3 276.384 1.870 50 0 CDAAHN CC(C)N1CCN(CCCN(C)Cc2ncc[nH]2)CC1 ZINC000408518982 359911861 /nfs/dbraw/zinc/91/18/61/359911861.db2.gz PFYBDJOWSMGKAJ-UHFFFAOYSA-N 0 3 279.432 1.258 50 0 CDAAHN CCN1CCC[C@H]1CNC(=O)c1ccccc1OC ZINC000033834817 360216582 /nfs/dbraw/zinc/21/65/82/360216582.db2.gz UHCGCOWDMZJDOC-LBPRGKRZSA-N 0 3 262.353 1.909 50 0 CDAAHN CC[C@@]1(O)CCOC2(CCN(Cc3cnn(C)c3)CC2)C1 ZINC000409419920 360227511 /nfs/dbraw/zinc/22/75/11/360227511.db2.gz RXQARLTUTUDDSS-OAHLLOKOSA-N 0 3 293.411 1.706 50 0 CDAAHN CC(C)(C(=O)NCCCOc1cccnc1)N1CCCC1 ZINC000426489562 360570246 /nfs/dbraw/zinc/57/02/46/360570246.db2.gz BNVCWUNFNGWDDJ-UHFFFAOYSA-N 0 3 291.395 1.841 50 0 CDAAHN Cc1c(N)ncnc1-c1ccc(N2CCNCC2)cc1 ZINC000426395997 360663937 /nfs/dbraw/zinc/66/39/37/360663937.db2.gz RYJBWMYSIPOIRQ-UHFFFAOYSA-N 0 3 269.352 1.274 50 0 CDAAHN Cc1cc(C(=O)N2CCN3CCC[C@@H]3C2)cc(=O)[nH]1 ZINC000180285296 189248765 /nfs/dbraw/zinc/24/87/65/189248765.db2.gz ZSHVJXATQYMCPJ-GFCCVEGCSA-N 0 3 261.325 1.016 50 0 CDAAHN O=C(c1ccc(F)c(F)c1F)N1CCCNCC1 ZINC000019679994 364079991 /nfs/dbraw/zinc/07/99/91/364079991.db2.gz LATRNFMBVGMHBB-UHFFFAOYSA-N 0 3 258.243 1.539 50 0 CDAAHN CCO[C@@H]1C[C@@](CO)(NCc2cccnc2)C1(C)C ZINC000186592362 364610570 /nfs/dbraw/zinc/61/05/70/364610570.db2.gz JVBSMVNJMYMOLY-HIFRSBDPSA-N 0 3 264.369 1.737 50 0 CDAAHN Cn1cc(CN[C@@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000035009558 364614518 /nfs/dbraw/zinc/61/45/18/364614518.db2.gz WEEJQZNWSNFNGV-MRXNPFEDSA-N 0 3 270.380 1.784 50 0 CDAAHN COC[C@H](C)NCc1cc(OC)c(OC)cc1OC ZINC000004685526 364814483 /nfs/dbraw/zinc/81/44/83/364814483.db2.gz HOSKYBXXSQYAGF-JTQLQIEISA-N 0 3 269.341 1.837 50 0 CDAAHN 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371219413 /nfs/dbraw/zinc/21/94/13/371219413.db2.gz XRYBPOWNDNNKKI-CZUORRHYSA-N 0 3 291.395 1.758 50 0 CDAAHN OC[C@H]1CCCN(CCNc2ncc(Cl)cn2)C1 ZINC000670452038 483014369 /nfs/dbraw/zinc/01/43/69/483014369.db2.gz XBDNBIJQMGIINO-JTQLQIEISA-N 0 3 270.764 1.246 50 0 CDAAHN Cc1c[nH]cc1C(=O)N1CCOC[C@@H]1[C@@H]1CCCN1C ZINC000520566405 373824452 /nfs/dbraw/zinc/82/44/52/373824452.db2.gz XXVQAFHFSGAGHJ-UONOGXRCSA-N 0 3 277.368 1.258 50 0 CDAAHN Cc1cc(C)cc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000247892380 541958428 /nfs/dbraw/zinc/95/84/28/541958428.db2.gz VXTUMJSMPBLLIC-JKSUJKDBSA-N 0 3 288.391 1.896 50 0 CDAAHN CC(C)N1CCN(C[C@@H]2COc3ccccc3O2)CC1 ZINC000019703109 374776752 /nfs/dbraw/zinc/77/67/52/374776752.db2.gz VJEXBVRKTISHJF-CQSZACIVSA-N 0 3 276.380 1.852 50 0 biogenic CDAAHN CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc(O)cc2[O-])C1 ZINC000097236763 375156264 /nfs/dbraw/zinc/15/62/64/375156264.db2.gz XUTPSGOJBOWQIN-NSHDSACASA-N 0 3 278.352 1.654 50 0 CDAAHN Cc1ccc([C@@H](CNC(=O)C2(C)COC2)N(C)C)cc1 ZINC000360315203 375824091 /nfs/dbraw/zinc/82/40/91/375824091.db2.gz COENGIALCNSWOR-CQSZACIVSA-N 0 3 276.380 1.750 50 0 CDAAHN CCc1ccc(-n2cc(C(=O)NCCN(C)C)nn2)cc1 ZINC000067262139 376956767 /nfs/dbraw/zinc/95/67/67/376956767.db2.gz AOBUZZKSOIDLNR-UHFFFAOYSA-N 0 3 287.367 1.121 50 0 CDAAHN COc1ccc(/C=C/C(=O)[N-]OC[C@@H](C)[NH3+])cc1OC ZINC000493133993 253379257 /nfs/dbraw/zinc/37/92/57/253379257.db2.gz UMTLKQVFCRAMIA-BREXMAIKSA-N 0 3 280.324 1.112 50 0 CDAAHN Cn1ccnc1CN[C@](C)(CO)C1CCCCC1 ZINC000096417587 390512132 /nfs/dbraw/zinc/51/21/32/390512132.db2.gz WTNTXMXOQRBKSW-CQSZACIVSA-N 0 3 251.374 1.841 50 0 CDAAHN COc1ccccc1OCCNCc1c[nH]nc1C ZINC000097159537 390801141 /nfs/dbraw/zinc/80/11/41/390801141.db2.gz BCYGKIJNDLPNAE-UHFFFAOYSA-N 0 3 261.325 1.895 50 0 CDAAHN Cc1ccc(NC(=O)CNCCCN2CCOCC2)cc1 ZINC000036962627 392037236 /nfs/dbraw/zinc/03/72/36/392037236.db2.gz ZAVTZAFYEJWTRM-UHFFFAOYSA-N 0 3 291.395 1.245 50 0 CDAAHN CC1=CCC[C@H](C)[C@H]1CN1CCO[C@@H](C(N)=O)C1 ZINC000249092201 392443435 /nfs/dbraw/zinc/44/34/35/392443435.db2.gz NPDGOOAUTQYALC-RWMBFGLXSA-N 0 3 252.358 1.165 50 0 CDAAHN CC1=CCC[C@H](C)[C@@H]1CN1CCO[C@@H](C(N)=O)C1 ZINC000249092204 392443650 /nfs/dbraw/zinc/44/36/50/392443650.db2.gz NPDGOOAUTQYALC-YNEHKIRRSA-N 0 3 252.358 1.165 50 0 CDAAHN CC[C@H](N)C(=O)N1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000253432746 392720558 /nfs/dbraw/zinc/72/05/58/392720558.db2.gz NKALIXWFNBCPJQ-FPMFFAJLSA-N 0 3 262.353 1.712 50 0 CDAAHN CCN1CCN(CCOc2ccc(F)cc2)CC1 ZINC000020406355 171182390 /nfs/dbraw/zinc/18/23/90/171182390.db2.gz GONACZQXVNDBTJ-UHFFFAOYSA-N 0 3 252.333 1.842 50 0 CDAAHN CCc1cccc(OCCN(C)C[C@@H]2COCCO2)c1 ZINC000661603885 414201810 /nfs/dbraw/zinc/20/18/10/414201810.db2.gz MAIZKAJUKJMYMZ-MRXNPFEDSA-N 0 3 279.380 1.975 50 0 CDAAHN Cc1nn(CCO)cc1CN1CC(N2CCCC[C@@H]2C)C1 ZINC000071278998 176108254 /nfs/dbraw/zinc/10/82/54/176108254.db2.gz FKBLPZUOADOHFY-ZDUSSCGKSA-N 0 3 292.427 1.242 50 0 CDAAHN CCN(CC)CCNc1nc2ccccc2c(=O)n1C ZINC000071283006 176109427 /nfs/dbraw/zinc/10/94/27/176109427.db2.gz TYPAVOLMAPYMOU-UHFFFAOYSA-N 0 3 274.368 1.687 50 0 CDAAHN Cc1ccc(O[C@H](C)C(=O)NCCN(C)C)cc1C ZINC000072119141 176319698 /nfs/dbraw/zinc/31/96/98/176319698.db2.gz ABLWASRRLXJTAN-CYBMUJFWSA-N 0 3 264.369 1.749 50 0 CDAAHN CN[C@@H](CO)C(=O)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000077343828 177254582 /nfs/dbraw/zinc/25/45/82/177254582.db2.gz ZKDKNPVPOCYRQH-HNNXBMFYSA-N 0 3 294.370 1.187 50 0 CDAAHN O=C([C@H]1C[C@H](O)CN1)N1CC2(CCCC2)c2ccccc21 ZINC000252519015 275009789 /nfs/dbraw/zinc/00/97/89/275009789.db2.gz AQXGWCXECJTIAE-GXTWGEPZSA-N 0 3 286.375 1.568 50 0 CDAAHN CN1CCC(c2n[nH]c(=O)n2CC2CCCCC2)CC1 ZINC000065384218 277035243 /nfs/dbraw/zinc/03/52/43/277035243.db2.gz XZQGUQVMEMYNFP-UHFFFAOYSA-N 0 3 278.400 1.961 50 0 CDAAHN C[C@@H](C(=O)NCCn1ccnn1)N(C)C1CCCCC1 ZINC000534655987 328339946 /nfs/dbraw/zinc/33/99/46/328339946.db2.gz VSJNCYGVHGKFHM-LBPRGKRZSA-N 0 3 279.388 1.047 50 0 CDAAHN O=c1onc(-c2ccccn2)n1CCCN1CCCCC1 ZINC000195576208 323572582 /nfs/dbraw/zinc/57/25/82/323572582.db2.gz MQTUEOJDCQLFLM-UHFFFAOYSA-N 0 3 288.351 1.774 50 0 CDAAHN Cc1ccc(-c2cc3c(=O)n(CCN)ccn3n2)c(C)c1 ZINC000263618393 333239600 /nfs/dbraw/zinc/23/96/00/333239600.db2.gz STKFZWZKCJJFKC-UHFFFAOYSA-N 0 3 282.347 1.739 50 0 CDAAHN C[C@@H]1OCC[C@H]1NCc1ccnc(OCC(F)F)c1 ZINC000091411388 482564502 /nfs/dbraw/zinc/56/45/02/482564502.db2.gz UABMYZZZDSPKFA-GXSJLCMTSA-N 0 3 272.295 1.993 50 0 CDAAHN COc1ccccc1CNC[C@@H](OC)[C@H]1CCOC1 ZINC000585093630 482828995 /nfs/dbraw/zinc/82/89/95/482828995.db2.gz PZNCWJCCKHDIAI-DZGCQCFKSA-N 0 3 265.353 1.836 50 0 CDAAHN Cc1cc(C)nc(NCCN2CCC[C@H](CO)C2)n1 ZINC000670435531 482972016 /nfs/dbraw/zinc/97/20/16/482972016.db2.gz YXHYHXHHOGYUKM-ZDUSSCGKSA-N 0 3 264.373 1.210 50 0 CDAAHN c1cnn(CCCN2CCC(c3nnc[nH]3)CC2)c1 ZINC000670470042 483067695 /nfs/dbraw/zinc/06/76/95/483067695.db2.gz WKMSOPQALCPJLP-UHFFFAOYSA-N 0 3 260.345 1.271 50 0 CDAAHN COc1cc2c(cc1CN(C)C[C@@H]1CCOC1)OCCO2 ZINC000670470900 483072986 /nfs/dbraw/zinc/07/29/86/483072986.db2.gz UCZHAIRYTSLUOP-LBPRGKRZSA-N 0 3 293.363 1.935 50 0 CDAAHN Cc1ccc(CCNC(=O)C2(O)CCN(C)CC2)cc1C ZINC000097742880 533794945 /nfs/dbraw/zinc/79/49/45/533794945.db2.gz ZQKGPEOXAIWWSV-UHFFFAOYSA-N 0 3 290.407 1.419 50 0 CDAAHN CC[C@H]1CN(C(=O)COCC(F)(F)C(F)F)CCN1 ZINC000067872286 523223040 /nfs/dbraw/zinc/22/30/40/523223040.db2.gz UETOEIFCSCEHQI-QMMMGPOBSA-N 0 3 286.269 1.114 50 0 CDAAHN CCn1cc(CN(C)[C@@H]2Cc3ccccc3[C@H]2O)cn1 ZINC000241774131 523365663 /nfs/dbraw/zinc/36/56/63/523365663.db2.gz RNHQKNQMJUQKCG-HZPDHXFCSA-N 0 3 271.364 1.993 50 0 CDAAHN COC(=O)c1ccc(=O)n(CCN2CCCCC2)c1 ZINC000000487842 617621226 /nfs/dbraw/zinc/62/12/26/617621226.db2.gz CCPUFSRSQSLFFN-UHFFFAOYSA-N 0 3 264.325 1.121 50 0 biogenic CDAAHN CCc1nccc(CN2CCC[C@H](c3cc(=O)[nH]cn3)C2)n1 ZINC001704349068 1177696928 /nfs/dbraw/zinc/69/69/28/1177696928.db2.gz IROFDEQHKBDBPP-LBPRGKRZSA-N 0 3 299.378 1.914 50 0 CDAAHN Cc1nc(CN2CC[NH+](C3CCCC3)CC2)cc(=O)[n-]1 ZINC001704346924 1177697722 /nfs/dbraw/zinc/69/77/22/1177697722.db2.gz BKWXSKYDXSODBN-UHFFFAOYSA-N 0 3 276.384 1.551 50 0 CDAAHN c1c(CN2C[C@@H]3CC=CC[C@@H]3C2)nn2c1CNCC2 ZINC000072156785 740248834 /nfs/dbraw/zinc/24/88/34/740248834.db2.gz SVGRTZKXZKIOTM-BETUJISGSA-N 0 3 258.369 1.384 50 0 CDAAHN CCC[C@H](CNS(=O)(=O)CC1CCCC1)N(C)C ZINC000822790892 925649692 /nfs/dbraw/zinc/64/96/92/925649692.db2.gz CAWYAVPJARSSMU-CYBMUJFWSA-N 0 3 276.446 1.826 50 0 CDAAHN Cc1ncc(C(=O)NCc2ccccc2CN(C)C)cn1 ZINC000823714953 925722455 /nfs/dbraw/zinc/72/24/55/925722455.db2.gz ADXJFHNQTYKWBQ-UHFFFAOYSA-N 0 3 284.363 1.777 50 0 CDAAHN C[N@@H+](Cc1ncccc1[O-])C[C@@H](O)c1ccccc1 ZINC000019144456 935710912 /nfs/dbraw/zinc/71/09/12/935710912.db2.gz NUKVMJWPWGDDRQ-OAHLLOKOSA-N 0 3 258.321 1.953 50 0 CDAAHN C[N@H+](Cc1ncccc1[O-])C[C@@H](O)c1ccccc1 ZINC000019144456 935710913 /nfs/dbraw/zinc/71/09/13/935710913.db2.gz NUKVMJWPWGDDRQ-OAHLLOKOSA-N 0 3 258.321 1.953 50 0 CDAAHN Cn1ccnc1-c1ccc(N2CCN(CC3CC3)CC2)nn1 ZINC001506404809 975151489 /nfs/dbraw/zinc/15/14/89/975151489.db2.gz JAODVBPFLZJJLX-UHFFFAOYSA-N 0 3 298.394 1.409 50 0 CDAAHN COc1ccc2c(c1)OC[C@@H](C(=O)N1CCNC[C@H]1C)C2 ZINC000124362626 187134521 /nfs/dbraw/zinc/13/45/21/187134521.db2.gz FRMNMSCSAONGJC-YPMHNXCESA-N 0 3 290.363 1.067 50 0 CDAAHN CCS(=O)(=O)C[C@@H](C)NC1CCN(C(C)C)CC1 ZINC000121067359 230394341 /nfs/dbraw/zinc/39/43/41/230394341.db2.gz IQCDTMJKXVMABC-GFCCVEGCSA-N 0 3 276.446 1.272 50 0 CDAAHN COc1ccccc1CN1CC[C@H](N2CCOCC2)C1 ZINC000121062134 230394379 /nfs/dbraw/zinc/39/43/79/230394379.db2.gz VYURPSICDREIIN-HNNXBMFYSA-N 0 3 276.380 1.602 50 0 CDAAHN Cc1ccc(N2C(=O)C[C@H](NCC3CC3)C2=O)cc1 ZINC000095630529 185016913 /nfs/dbraw/zinc/01/69/13/185016913.db2.gz IVXQJYGHXIWMRO-ZDUSSCGKSA-N 0 3 258.321 1.627 50 0 CDAAHN C[C@@H]1CCC[C@H](CCN2C[C@H](O)C[C@@H]2C(N)=O)C1 ZINC000095965053 185045464 /nfs/dbraw/zinc/04/54/64/185045464.db2.gz KNSWWDSUJMWVIR-FDYHWXHSSA-N 0 3 254.374 1.123 50 0 CDAAHN C[C@H]1CCNC[C@H]1NS(=O)(=O)CCc1cccs1 ZINC000241277706 361752500 /nfs/dbraw/zinc/75/25/00/361752500.db2.gz LILLJUFVGRCLPS-CMPLNLGQSA-N 0 3 288.438 1.208 50 0 CDAAHN CN1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccco3)[C@@H]2C1 ZINC000685939752 539045605 /nfs/dbraw/zinc/04/56/05/539045605.db2.gz HXZSYWQLVLBTLQ-AAVRWANBSA-N 0 3 274.364 1.936 50 0 CDAAHN CC[C@H](N[C@@H]1CC(C)(C)OC1(C)C)C(=O)N1CCOCC1 ZINC000096479172 529656089 /nfs/dbraw/zinc/65/60/89/529656089.db2.gz YSXKTDZKHZXBBH-QWHCGFSZSA-N 0 3 298.427 1.560 50 0 CDAAHN C[C@H](NC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C)[C@H]1CN(C)CCO1 ZINC000252487309 342382113 /nfs/dbraw/zinc/38/21/13/342382113.db2.gz VIWHFHNPZPIKEC-NIFZNCRKSA-N 0 3 297.443 1.083 50 0 CDAAHN COc1cc(C)c(CN[C@H]2CC(=O)N(C)C2)cc1OC ZINC000083454662 362247913 /nfs/dbraw/zinc/24/79/13/362247913.db2.gz LXDOVFVIRWRVSD-LBPRGKRZSA-N 0 3 278.352 1.333 50 0 CDAAHN Cc1c(NC(=O)CN2C[C@@H]3CC(C)=CC[C@@H]3C2)cnn1C ZINC000252483759 362385710 /nfs/dbraw/zinc/38/57/10/362385710.db2.gz FHYDWJJFHNIEGK-KGLIPLIRSA-N 0 3 288.395 1.955 50 0 CDAAHN CC(=O)NC[C@@H]1CN(C[C@H]2C(C)=CCC[C@@H]2C)CCO1 ZINC000191073433 362398774 /nfs/dbraw/zinc/39/87/74/362398774.db2.gz NECLUUSXMKWBHS-IMJJTQAJSA-N 0 3 280.412 1.816 50 0 CDAAHN CCc1csc(CCN[C@@H](C)CS(C)(=O)=O)n1 ZINC000584891698 349350845 /nfs/dbraw/zinc/35/08/45/349350845.db2.gz RLKUTCJTRNETHB-VIFPVBQESA-N 0 3 276.427 1.271 50 0 CDAAHN CN1C[C@@H]2CCC[C@H]1CN(C(=O)[C@H]1CC[C@H](O)CC1)C2 ZINC000584894240 349354281 /nfs/dbraw/zinc/35/42/81/349354281.db2.gz LZOZNUBFYTZVSY-AJNGGQMLSA-N 0 3 280.412 1.480 50 0 CDAAHN C[C@H](NC[C@]1(O)CCOC1)c1ccc(F)cc1F ZINC000090850233 180046158 /nfs/dbraw/zinc/04/61/58/180046158.db2.gz QLEPXFNGJBUKCW-TVQRCGJNSA-N 0 3 257.280 1.767 50 0 CDAAHN Cn1ccnc1-c1ccc(N2C[C@@H]3CCN(C)[C@@H]3C2)nn1 ZINC000091364540 180142561 /nfs/dbraw/zinc/14/25/61/180142561.db2.gz SVCALXDAQVUCLC-WCQYABFASA-N 0 3 284.367 1.017 50 0 CDAAHN N[C@H]1CN(C(=O)C2CCOCC2)C[C@@H]1c1ccccc1 ZINC000092038994 180311029 /nfs/dbraw/zinc/31/10/29/180311029.db2.gz YGOQPVQNSFLYLB-CABCVRRESA-N 0 3 274.364 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358915186 /nfs/dbraw/zinc/91/51/86/358915186.db2.gz OWAJQAVMBXCAMB-UHFFFAOYSA-N 0 3 298.394 1.983 50 0 CDAAHN CCN(CCn1cccn1)Cc1cccc2nonc21 ZINC000216484734 358947486 /nfs/dbraw/zinc/94/74/86/358947486.db2.gz HQERDRRNZWKTMT-UHFFFAOYSA-N 0 3 271.324 1.941 50 0 CDAAHN Cc1cc(=O)cc(C(=O)N[C@H](C)C2CCN(C)CC2)o1 ZINC000219932775 359138782 /nfs/dbraw/zinc/13/87/82/359138782.db2.gz SLLPSBFHZLDYLX-LLVKDONJSA-N 0 3 278.352 1.408 50 0 CDAAHN CC[C@@H](NC(=O)CN1CCCN(C)CC1)c1nccs1 ZINC000223400882 359423683 /nfs/dbraw/zinc/42/36/83/359423683.db2.gz YOAGDEWBHSZMDW-GFCCVEGCSA-N 0 3 296.440 1.348 50 0 CDAAHN CCCN1CC[C@H](NC(=O)Cc2nc3ccccc3[nH]2)C1 ZINC000426707294 360698145 /nfs/dbraw/zinc/69/81/45/360698145.db2.gz XSGYYJAUOUIHKO-LBPRGKRZSA-N 0 3 286.379 1.706 50 0 CDAAHN CN1CCC[C@H]1Cn1cc(C(F)(F)F)ccc1=O ZINC000521394948 363943845 /nfs/dbraw/zinc/94/38/45/363943845.db2.gz DPJFNOAXXKLVEK-JTQLQIEISA-N 0 3 260.259 1.961 50 0 CDAAHN CCN1CCCN(CC(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000089977260 366993542 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CDAAHN CN(CCO)CCOCCOc1ccc(Cl)cc1 ZINC000002981016 355990044 /nfs/dbraw/zinc/99/00/44/355990044.db2.gz HTDLAFCJXYPTLP-UHFFFAOYSA-N 0 3 273.760 1.660 50 0 CDAAHN COc1ccccc1O[C@@H](C)C(=O)NC1CCN(C)CC1 ZINC000012380627 356296157 /nfs/dbraw/zinc/29/61/57/356296157.db2.gz NGJKADAQUYRZHE-LBPRGKRZSA-N 0 3 292.379 1.673 50 0 CDAAHN CN1CCC(NC(=O)COc2ccc(F)cc2F)CC1 ZINC000016580051 356442030 /nfs/dbraw/zinc/44/20/30/356442030.db2.gz QWBNACRFSJQPAI-UHFFFAOYSA-N 0 3 284.306 1.554 50 0 CDAAHN CCN1CCC(NC(=O)c2cccc(OC)c2)CC1 ZINC000016580069 356442191 /nfs/dbraw/zinc/44/21/91/356442191.db2.gz XQPGBVDYZHPHAW-UHFFFAOYSA-N 0 3 262.353 1.909 50 0 CDAAHN COC(=O)c1ccc(CN2CCC[C@@H](CO)C2)cc1 ZINC000023280672 356638356 /nfs/dbraw/zinc/63/83/56/356638356.db2.gz HLIDJWDAXLUQKV-CYBMUJFWSA-N 0 3 263.337 1.678 50 0 CDAAHN c1ccc(OCCN2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000047707361 357163631 /nfs/dbraw/zinc/16/36/31/357163631.db2.gz CFJPNRMYYHXODX-MRXNPFEDSA-N 0 3 290.407 1.720 50 0 CDAAHN c1ccc(OCCN2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000047707359 357164013 /nfs/dbraw/zinc/16/40/13/357164013.db2.gz CFJPNRMYYHXODX-INIZCTEOSA-N 0 3 290.407 1.720 50 0 CDAAHN C[C@@H](Cn1ccnc1)NCc1ccc(-n2cncn2)cc1 ZINC000067563276 357612461 /nfs/dbraw/zinc/61/24/61/357612461.db2.gz YLEUQNYPIMEHJU-ZDUSSCGKSA-N 0 3 282.351 1.642 50 0 CDAAHN O=C(CCc1nc2ccccc2[nH]1)N1[C@@H]2CC[C@H]1CNCC2 ZINC000067714358 357620190 /nfs/dbraw/zinc/62/01/90/357620190.db2.gz ZMGNVNRVTGKYBS-OLZOCXBDSA-N 0 3 298.390 1.848 50 0 CDAAHN Cc1cccc(O[C@@H](C)C(=O)NC2CCN(C)CC2)c1 ZINC000071754587 357778948 /nfs/dbraw/zinc/77/89/48/357778948.db2.gz DNPZROHPRPUEDV-ZDUSSCGKSA-N 0 3 276.380 1.973 50 0 CDAAHN O=C(CCc1cc2n(n1)CCCNC2)NCc1ccncc1 ZINC000072480600 357838983 /nfs/dbraw/zinc/83/89/83/357838983.db2.gz NBIQVZIOKZGQBX-UHFFFAOYSA-N 0 3 299.378 1.020 50 0 CDAAHN C[C@]1(C(=O)NCCOCc2ccccc2)CCCCN1 ZINC000195556991 358559767 /nfs/dbraw/zinc/55/97/67/358559767.db2.gz VPACKNOHURWHIS-MRXNPFEDSA-N 0 3 276.380 1.852 50 0 CDAAHN C[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)C[C@@H]1CCOC1 ZINC000095193334 358680735 /nfs/dbraw/zinc/68/07/35/358680735.db2.gz XVGCSAUJPCEPDH-LBPRGKRZSA-N 0 3 273.340 1.335 50 0 CDAAHN C[N@H+](Cc1cccc(-c2nnn[n-]2)c1)C[C@@H]1CCOC1 ZINC000095193334 358680741 /nfs/dbraw/zinc/68/07/41/358680741.db2.gz XVGCSAUJPCEPDH-LBPRGKRZSA-N 0 3 273.340 1.335 50 0 CDAAHN C[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@@H]1CCOC1 ZINC000095193334 358680745 /nfs/dbraw/zinc/68/07/45/358680745.db2.gz XVGCSAUJPCEPDH-LBPRGKRZSA-N 0 3 273.340 1.335 50 0 CDAAHN C[N@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@@H]1CCOC1 ZINC000095193334 358680750 /nfs/dbraw/zinc/68/07/50/358680750.db2.gz XVGCSAUJPCEPDH-LBPRGKRZSA-N 0 3 273.340 1.335 50 0 CDAAHN Nc1ncccc1CN1CCCO[C@H](CN2CCCC2)C1 ZINC000216115381 358926167 /nfs/dbraw/zinc/92/61/67/358926167.db2.gz QRADBTFICCGRAI-OAHLLOKOSA-N 0 3 290.411 1.351 50 0 CDAAHN CNC(=O)C1CCN(CCOc2ccc(OC)cc2)CC1 ZINC000012333624 359009659 /nfs/dbraw/zinc/00/96/59/359009659.db2.gz JMQAOEOPNHZABS-UHFFFAOYSA-N 0 3 292.379 1.532 50 0 CDAAHN CCn1cc(CN2CCC3(CC2)C[C@H](O)CCO3)c(C)n1 ZINC000257191251 359588234 /nfs/dbraw/zinc/58/82/34/359588234.db2.gz PPSULUXDRPXSPX-OAHLLOKOSA-N 0 3 293.411 1.717 50 0 CDAAHN CCCN1CCCC[C@H]1C(=O)N[C@H]1CCc2nccn2C1 ZINC000248160859 360413897 /nfs/dbraw/zinc/41/38/97/360413897.db2.gz LGKZVCBBCHTRHM-KBPBESRZSA-N 0 3 290.411 1.579 50 0 CDAAHN S=C(NCCN1CCCCC1)NC[C@H]1CCCO1 ZINC000004546192 360555154 /nfs/dbraw/zinc/55/51/54/360555154.db2.gz OPLCTSDYEOSEIJ-GFCCVEGCSA-N 0 3 271.430 1.115 50 0 CDAAHN Cc1ccc(OC2CN(C(=O)N[C@H](C)CN(C)C)C2)cc1 ZINC000426647865 360692078 /nfs/dbraw/zinc/69/20/78/360692078.db2.gz DCTQBCFAIHSTPM-CYBMUJFWSA-N 0 3 291.395 1.718 50 0 CDAAHN CN(CCN1C(=O)c2ccccc2C1=O)[C@@H]1CCSC1 ZINC000089935913 366970837 /nfs/dbraw/zinc/97/08/37/366970837.db2.gz VVZDKJOYWFGOGT-LLVKDONJSA-N 0 3 290.388 1.720 50 0 CDAAHN CN1CCC[C@H](CNC(=O)N2CCSC(C)(C)C2)C1 ZINC000089919594 370196325 /nfs/dbraw/zinc/19/63/25/370196325.db2.gz BZUVBSKWFOCHOI-GFCCVEGCSA-N 0 3 285.457 1.865 50 0 CDAAHN CC(C)[C@H](O)CN1CCCN(c2cccnn2)CC1 ZINC000292774731 370386048 /nfs/dbraw/zinc/38/60/48/370386048.db2.gz YRHIKDWWWDBONI-CYBMUJFWSA-N 0 3 264.373 1.006 50 0 CDAAHN Cc1cc(C[C@@H](C)NC(=O)Nc2cccc(CN)c2)[nH]n1 ZINC000299760557 372747350 /nfs/dbraw/zinc/74/73/50/372747350.db2.gz HPXBREMWLHOSPU-SNVBAGLBSA-N 0 3 287.367 1.930 50 0 CDAAHN COCc1cc(CNC(=O)C[C@@H](C)n2ccnc2C)n[nH]1 ZINC000299776872 372753964 /nfs/dbraw/zinc/75/39/64/372753964.db2.gz MQCXSYYIEKVZAU-SNVBAGLBSA-N 0 3 291.355 1.329 50 0 CDAAHN O[C@H](c1ccc2c(c1)CNCCO2)c1ccccn1 ZINC000299778485 372754722 /nfs/dbraw/zinc/75/47/22/372754722.db2.gz MSHRSGINFFLETP-OAHLLOKOSA-N 0 3 256.305 1.645 50 0 CDAAHN c1nc(CN2CCN([C@@H]3CCc4ccccc4C3)CC2)no1 ZINC000299785466 372761860 /nfs/dbraw/zinc/76/18/60/372761860.db2.gz RNHMXWWIHRQDKG-MRXNPFEDSA-N 0 3 298.390 1.745 50 0 CDAAHN CN(C)[C@@H]1CCN(C(=O)c2cccc(-c3cnccn3)c2)C1 ZINC000299802372 372773461 /nfs/dbraw/zinc/77/34/61/372773461.db2.gz YXSCDXDGOVUJFX-OAHLLOKOSA-N 0 3 296.374 1.920 50 0 CDAAHN OC[C@@H]1CN(Cc2cccnc2)C[C@H]1c1ccncc1 ZINC000253413872 373723268 /nfs/dbraw/zinc/72/32/68/373723268.db2.gz VWWDIJKGXDWWCR-HOTGVXAUSA-N 0 3 269.348 1.685 50 0 CDAAHN CN(C)[C@H]1CCN(C(=O)CC2Cc3ccccc3C2)C1 ZINC000252485236 189976233 /nfs/dbraw/zinc/97/62/33/189976233.db2.gz GPIHHNCRPFJACM-INIZCTEOSA-N 0 3 272.392 1.954 50 0 CDAAHN CCCn1nc(C)c(CN[C@@H]2CCN(C(=O)OC)C2)c1C ZINC000095414141 374916901 /nfs/dbraw/zinc/91/69/01/374916901.db2.gz ISDKNFMNHBWZKM-CYBMUJFWSA-N 0 3 294.399 1.840 50 0 CDAAHN CC[C@@H](N)C(=O)N1CCN(c2cc(C)ccc2C)CC1 ZINC000095466852 374961179 /nfs/dbraw/zinc/96/11/79/374961179.db2.gz OLLKBBSQTMTCOE-CQSZACIVSA-N 0 3 275.396 1.689 50 0 CDAAHN Cc1ccc(NC(=O)NCCCN2CCN(C)CC2)cn1 ZINC000095501587 374976030 /nfs/dbraw/zinc/97/60/30/374976030.db2.gz IWLDDBOTTYZZOK-UHFFFAOYSA-N 0 3 291.399 1.149 50 0 CDAAHN CC(C)(C)OC(=O)N1CC2(C1)CNCC(C)(C)O2 ZINC000253388076 189987545 /nfs/dbraw/zinc/98/75/45/189987545.db2.gz BBHDSFHBVLRZHG-UHFFFAOYSA-N 0 3 256.346 1.374 50 0 CDAAHN CCn1cc(NC(=O)[C@H](C2CC2)N2CCCC2)ccc1=O ZINC000097115143 375148644 /nfs/dbraw/zinc/14/86/44/375148644.db2.gz JKENJDLDDQYYGA-HNNXBMFYSA-N 0 3 289.379 1.681 50 0 CDAAHN FC(F)(F)c1cccnc1NC[C@@H]1CNCCO1 ZINC000134267188 375826254 /nfs/dbraw/zinc/82/62/54/375826254.db2.gz OIFSUYTTWVCGAJ-QMMMGPOBSA-N 0 3 261.247 1.501 50 0 CDAAHN CN1CCC[C@H]1C(=O)N1CCC(C(F)(F)F)CC1 ZINC000334607504 376597803 /nfs/dbraw/zinc/59/78/03/376597803.db2.gz NGSVHTBGHWUKCZ-JTQLQIEISA-N 0 3 264.291 1.882 50 0 CDAAHN Cc1ccc(CS(=O)(=O)N(C)C[C@@H]2CCN(C)C2)cc1 ZINC000288180718 197020576 /nfs/dbraw/zinc/02/05/76/197020576.db2.gz ARYDTZFPLXQHLQ-OAHLLOKOSA-N 0 3 296.436 1.708 50 0 CDAAHN OCC[C@H]1CSCCN1CCO[C@H]1CCCCO1 ZINC000408514854 285267241 /nfs/dbraw/zinc/26/72/41/285267241.db2.gz MWMBXNBOYZLUKN-STQMWFEESA-N 0 3 275.414 1.329 50 0 CDAAHN CCOC(=O)[C@@H]1[C@@H](C(=O)OCC)C(C)(C)[C@@H]1N1CCCC1 ZINC000005796535 390164946 /nfs/dbraw/zinc/16/49/46/390164946.db2.gz RJAIFMNTFDYYIO-FRRDWIJNSA-N 0 3 297.395 1.849 50 0 CDAAHN COC(=O)[C@]12CCC[C@H]1CN(CC(=O)NC(C)(C)C)C2 ZINC000097082983 390672463 /nfs/dbraw/zinc/67/24/63/390672463.db2.gz VTNIGDBHHYLXSJ-NHYWBVRUSA-N 0 3 282.384 1.176 50 0 CDAAHN C[C@H](O)c1cn(CC2CCN(Cc3ccco3)CC2)nn1 ZINC000023145211 390825681 /nfs/dbraw/zinc/82/56/81/390825681.db2.gz PNYZJHAKGSBTFX-LBPRGKRZSA-N 0 3 290.367 1.837 50 0 CDAAHN Cc1ccc(-c2noc([C@H]3CCCN(C)C3)n2)nn1 ZINC000091665524 390891336 /nfs/dbraw/zinc/89/13/36/390891336.db2.gz SLQDMHYSMLODEG-JTQLQIEISA-N 0 3 259.313 1.644 50 0 CDAAHN CC(C)c1csc(CN2CCN3CCN(C)C[C@H]3C2)n1 ZINC000106238255 398094792 /nfs/dbraw/zinc/09/47/92/398094792.db2.gz LLYOKIDUYCIFMN-ZDUSSCGKSA-N 0 3 294.468 1.698 50 0 CDAAHN Cc1nc[nH]c1CNC(=O)c1cccc(CN(C)C)c1 ZINC000359515353 158272800 /nfs/dbraw/zinc/27/28/00/158272800.db2.gz JCNSROIASINPSV-UHFFFAOYSA-N 0 3 272.352 1.710 50 0 CDAAHN NC(=O)C1CCN(CCOc2ccccc2F)CC1 ZINC000008317208 170330617 /nfs/dbraw/zinc/33/06/17/170330617.db2.gz NVTYSROVBIOITC-UHFFFAOYSA-N 0 3 266.316 1.402 50 0 CDAAHN Cc1ccc2nc(CN3CCCN(C)CC3)cn2c1 ZINC000020865928 171276928 /nfs/dbraw/zinc/27/69/28/171276928.db2.gz TZPIUEYOXZRTRH-UHFFFAOYSA-N 0 3 258.369 1.780 50 0 CDAAHN Cc1cc(-n2cc(C(=O)NCCN(C)C)nn2)ccc1F ZINC000067262033 175772158 /nfs/dbraw/zinc/77/21/58/175772158.db2.gz BBOUXGKOORRDFP-UHFFFAOYSA-N 0 3 291.330 1.006 50 0 CDAAHN Cc1occc1C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000067880881 175799189 /nfs/dbraw/zinc/79/91/89/175799189.db2.gz NJMYAEUWNSLTGD-CYBMUJFWSA-N 0 3 280.368 1.771 50 0 CDAAHN COc1ccc(OC)c([C@@H]2CCN(C(=O)C3(N)CC3)C2)c1 ZINC000071415532 176160531 /nfs/dbraw/zinc/16/05/31/176160531.db2.gz RPXSGJFMOHGGGG-LLVKDONJSA-N 0 3 290.363 1.511 50 0 CDAAHN CC1(C)CN(c2ncnc3c(F)cccc32)CCN1 ZINC000420286751 275852043 /nfs/dbraw/zinc/85/20/43/275852043.db2.gz WRRMFBRJHIEUOP-UHFFFAOYSA-N 0 3 260.316 1.957 50 0 CDAAHN CCN(CC)CCOC(=O)[C@H]1COc2ccccc2O1 ZINC000001823078 276327462 /nfs/dbraw/zinc/32/74/62/276327462.db2.gz PJHMVOHUUHWFIW-CQSZACIVSA-N 0 3 279.336 1.711 50 0 CDAAHN Cc1c(-c2ccc(CN(C)C)cc2)c(=O)n(C)c(=O)n1C ZINC000426711494 280195264 /nfs/dbraw/zinc/19/52/64/280195264.db2.gz RTNXPIXOHXUBJV-UHFFFAOYSA-N 0 3 287.363 1.121 50 0 CDAAHN C[C@H](C(=O)[O-])[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000299742282 298216232 /nfs/dbraw/zinc/21/62/32/298216232.db2.gz AYTGETIPXZBJQM-JHJVBQTASA-N 0 3 284.400 1.281 50 0 CDAAHN Cc1cc(C)n(CCCC(=O)NC(C)(C)CN(C)C)n1 ZINC000534590948 328318111 /nfs/dbraw/zinc/31/81/11/328318111.db2.gz ATXRMXBFZGBJEY-UHFFFAOYSA-N 0 3 280.416 1.737 50 0 CDAAHN C[C@H](C(=O)NCCn1ccnn1)N(C)C1CCCCC1 ZINC000534655986 328339953 /nfs/dbraw/zinc/33/99/53/328339953.db2.gz VSJNCYGVHGKFHM-GFCCVEGCSA-N 0 3 279.388 1.047 50 0 CDAAHN CC(C)(C[NH+]1CCCCCC1)NC(=O)c1c[n-]nn1 ZINC000534657134 328340757 /nfs/dbraw/zinc/34/07/57/328340757.db2.gz SKNHZIVNTMEIKN-UHFFFAOYSA-N 0 3 265.361 1.189 50 0 CDAAHN CC(C)(C[NH+]1CCCCCC1)NC(=O)c1cnn[n-]1 ZINC000534657134 328340758 /nfs/dbraw/zinc/34/07/58/328340758.db2.gz SKNHZIVNTMEIKN-UHFFFAOYSA-N 0 3 265.361 1.189 50 0 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359900529 /nfs/dbraw/zinc/90/05/29/359900529.db2.gz ARTAKLWURCQLNW-UHFFFAOYSA-N 0 3 290.342 1.868 50 0 CDAAHN Cc1nc([C@H]2CCOC2)cc(N(C)CCN(C)C)n1 ZINC000426489414 360570498 /nfs/dbraw/zinc/57/04/98/360570498.db2.gz VBABLXWKZZNNRO-LBPRGKRZSA-N 0 3 264.373 1.287 50 0 CDAAHN CCN(CCN(C)C)C(=O)NCCSc1nccn1C ZINC000426382691 360661410 /nfs/dbraw/zinc/66/14/10/360661410.db2.gz LQXJPGDHWCLQQE-UHFFFAOYSA-N 0 3 299.444 1.105 50 0 CDAAHN CCN1CCCC[C@H]1CNc1cncc(C(=O)N(C)C)n1 ZINC000429198049 360777794 /nfs/dbraw/zinc/77/77/94/360777794.db2.gz MDBLHIQLARHGIC-LBPRGKRZSA-N 0 3 291.399 1.465 50 0 CDAAHN C[C@H](NC[C@@]1(O)CCOC1)c1ccc(Br)o1 ZINC000193050145 364168422 /nfs/dbraw/zinc/16/84/22/364168422.db2.gz HWZLLKWHWZIIAF-KWQFWETISA-N 0 3 290.157 1.844 50 0 CDAAHN C[C@H](C1CC1)N(CC(=O)NC(=O)NC1CC1)C1CC1 ZINC000031654652 365242757 /nfs/dbraw/zinc/24/27/57/365242757.db2.gz SGVOLZCBOLAOAX-SECBINFHSA-N 0 3 265.357 1.238 50 0 CDAAHN O=C(Cc1ccccc1Br)N1CCCNCC1 ZINC000084719042 367349216 /nfs/dbraw/zinc/34/92/16/367349216.db2.gz LHRJAVBPKGALIR-UHFFFAOYSA-N 0 3 297.196 1.814 50 0 CDAAHN CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1ccc(C)c(F)c1 ZINC000299801394 372771022 /nfs/dbraw/zinc/77/10/22/372771022.db2.gz XVIMOQHXMFQMLK-GJZGRUSLSA-N 0 3 294.370 1.972 50 0 CDAAHN Cc1nn(C)c(Cl)c1CNCC1(O)CCCC1 ZINC000111385508 374184873 /nfs/dbraw/zinc/18/48/73/374184873.db2.gz CGWNREXKQJUEAU-UHFFFAOYSA-N 0 3 257.765 1.777 50 0 CDAAHN CC(C)N1CCN(C[C@H]2COc3ccccc3O2)CC1 ZINC000019703111 374776667 /nfs/dbraw/zinc/77/66/67/374776667.db2.gz VJEXBVRKTISHJF-AWEZNQCLSA-N 0 3 276.380 1.852 50 0 biogenic CDAAHN CC(C)CCc1noc(CN2CCN3CCC[C@H]3C2)n1 ZINC000247253877 377075771 /nfs/dbraw/zinc/07/57/71/377075771.db2.gz UEIFNKNYWXDPOE-ZDUSSCGKSA-N 0 3 278.400 1.938 50 0 CDAAHN Cc1nc(CN)cc(N(C)CC[C@@H](O)c2ccccc2)n1 ZINC000067850291 377260728 /nfs/dbraw/zinc/26/07/28/377260728.db2.gz SEUSWUMNYQFWAE-OAHLLOKOSA-N 0 3 286.379 1.804 50 0 CDAAHN Cn1ccc(CN2CCC(c3cc[nH]n3)CC2)cc1=O ZINC000069350984 378025123 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/nfs/dbraw/zinc/03/78/92/247037892.db2.gz DBLXTFQWLFAKTQ-CYBMUJFWSA-N 0 3 267.398 1.556 50 0 CDAAHN CC(C)CNCC(=O)Nc1ccc2c(c1)OCO2 ZINC000003440618 375699466 /nfs/dbraw/zinc/69/94/66/375699466.db2.gz ZDOPSSCOWHVEKQ-UHFFFAOYSA-N 0 3 250.298 1.599 50 0 CDAAHN CC(C)N(C)CCOC(=O)[C@H]1COc2ccccc2O1 ZINC000001831253 376104062 /nfs/dbraw/zinc/10/40/62/376104062.db2.gz UZOJAUDXMLMQMM-CQSZACIVSA-N 0 3 279.336 1.710 50 0 CDAAHN Cc1ccc(CN2C[C@H]([C@H](C)O)NC[C@@H]2[C@@H](C)O)cc1F ZINC000585657555 376360781 /nfs/dbraw/zinc/36/07/81/376360781.db2.gz LOAGMTIBSYNWDE-UAXWRAGISA-N 0 3 296.386 1.038 50 0 CDAAHN Cc1cc(CN2CCN(CC(C)(C)C)[C@H](CCO)C2)[nH]n1 ZINC000039447242 377537205 /nfs/dbraw/zinc/53/72/05/377537205.db2.gz YBILIRBYGBYONT-OAHLLOKOSA-N 0 3 294.443 1.633 50 0 CDAAHN Cc1cc(CN2CCN(CC(C)(C)C)[C@H](CCO)C2)n[nH]1 ZINC000039447242 377537209 /nfs/dbraw/zinc/53/72/09/377537209.db2.gz YBILIRBYGBYONT-OAHLLOKOSA-N 0 3 294.443 1.633 50 0 CDAAHN CCc1nnc(CNC(=O)[C@@H](N)Cc2ccccc2)s1 ZINC000244626520 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COc1ccc(O[C@@H](C)C(=O)NC2CCN(C)CC2)cc1 ZINC000020311997 171144672 /nfs/dbraw/zinc/14/46/72/171144672.db2.gz NGAMTWVEMZJFET-LBPRGKRZSA-N 0 3 292.379 1.673 50 0 CDAAHN O=S(=O)(c1cccc(Cl)c1F)N1CCCNCC1 ZINC000037463950 173225623 /nfs/dbraw/zinc/22/56/23/173225623.db2.gz WWZGAPVIDIOJBP-UHFFFAOYSA-N 0 3 292.763 1.463 50 0 CDAAHN CCOCCN1CCN(C[C@H]2CCCCO2)C[C@H]1C ZINC000247034483 276322873 /nfs/dbraw/zinc/32/28/73/276322873.db2.gz DIMNYQCJPCYKAR-HUUCEWRRSA-N 0 3 270.417 1.598 50 0 CDAAHN CC[C@H](OC)C(=O)N1CC[C@H](N2CCCC2)[C@H]1C ZINC000240244256 288127993 /nfs/dbraw/zinc/12/79/93/288127993.db2.gz DLHPMUBYESNPAV-AGIUHOORSA-N 0 3 254.374 1.497 50 0 CDAAHN C[C@H](NCC1(O)CCCCC1)C(=O)NC1CCCC1 ZINC000065396479 279463147 /nfs/dbraw/zinc/46/31/47/279463147.db2.gz PDLKFNXGGAGPKL-LBPRGKRZSA-N 0 3 268.401 1.719 50 0 CDAAHN C[C@H]1[C@H]2CCCN2CCN1C(=O)c1ccc2c(c1)nnn2C ZINC000020540864 280120551 /nfs/dbraw/zinc/12/05/51/280120551.db2.gz HNLONUROJMOWNB-SMDDNHRTSA-N 0 3 299.378 1.277 50 0 CDAAHN O=C(CCC(F)(F)F)N[C@H]1COC[C@@H]1N1CCCC1 ZINC000534588965 328317108 /nfs/dbraw/zinc/31/71/08/328317108.db2.gz ZQZNWKVJVQWCIZ-UWVGGRQHSA-N 0 3 280.290 1.308 50 0 CDAAHN Cc1cc(=O)[n-]c(CC[NH2+][C@H]2CCN(c3ccccc3)C2)n1 ZINC000670439306 482981303 /nfs/dbraw/zinc/98/13/03/482981303.db2.gz RAZACIMDTXJAAC-AWEZNQCLSA-N 0 3 298.390 1.902 50 0 CDAAHN CCCN1CC[C@@H](NC(=O)N(CC)CCn2cccn2)C1 ZINC000670471422 483074238 /nfs/dbraw/zinc/07/42/38/483074238.db2.gz RULJBCOFEHEAOH-CQSZACIVSA-N 0 3 293.415 1.399 50 0 CDAAHN Cc1ccsc1[C@H](C)NC[C@H]1CN2CCN1CC2 ZINC000090648934 483281854 /nfs/dbraw/zinc/28/18/54/483281854.db2.gz PUANHGYPGMECAR-STQMWFEESA-N 0 3 265.426 1.707 50 0 CDAAHN CC[C@H](C(=O)NCc1csc(N)n1)N1CCCC1 ZINC000822555702 1161928392 /nfs/dbraw/zinc/92/83/92/1161928392.db2.gz BWEQDERGKQDWIN-SNVBAGLBSA-N 0 3 268.386 1.216 50 0 CDAAHN Cc1cn2cc(C(=O)N3C[C@H]4CC[C@@H](C3)N(C)C4)ccc2n1 ZINC000219851135 534513334 /nfs/dbraw/zinc/51/33/34/534513334.db2.gz NAIRVIUNRLOTFC-ZFWWWQNUSA-N 0 3 298.390 1.809 50 0 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CN1CCC[C@@H](Nc2ccc(C(=O)N3CCCC3)cn2)C1 ZINC000823771495 925727193 /nfs/dbraw/zinc/72/71/93/925727193.db2.gz WAGCXABTVIAPSG-CQSZACIVSA-N 0 3 288.395 1.824 50 0 CDAAHN CN1CCCCC[C@H]1C(=O)N[C@H]1CC[C@H](O)CC1 ZINC000828865322 926203406 /nfs/dbraw/zinc/20/34/06/926203406.db2.gz LFNUILXQKSYECC-AVGNSLFASA-N 0 3 254.374 1.281 50 0 CDAAHN CN(C)c1nc2ccc(NCc3cnnn3C)cc2[nH]1 ZINC000585118486 930979510 /nfs/dbraw/zinc/97/95/10/930979510.db2.gz QOGDRVOOTCSHJB-UHFFFAOYSA-N 0 3 271.328 1.370 50 0 CDAAHN Cc1cc(=O)c(C(=O)N[C@H]2C[C@H](N(C)C)C23CCC3)c[nH]1 ZINC000585127794 931010512 /nfs/dbraw/zinc/01/05/12/931010512.db2.gz JNXCZDPKIRMKPX-KBPBESRZSA-N 0 3 289.379 1.286 50 0 CDAAHN COC(=O)[C@@]12CCC[C@@H]1CN(Cc1cncs1)C2 ZINC000096009046 185063818 /nfs/dbraw/zinc/06/38/18/185063818.db2.gz ZJPINNYIJHGJJC-ZWNOBZJWSA-N 0 3 266.366 1.918 50 0 CDAAHN CCn1ccc(CN(C)C(=O)NC[C@H]2CCCN(C)C2)c1 ZINC000241287497 361752252 /nfs/dbraw/zinc/75/22/52/361752252.db2.gz LLXMGDIFQPZXKL-CQSZACIVSA-N 0 3 292.427 1.991 50 0 CDAAHN CCOP(=O)(C[C@H](N)[S@@](=O)CC)OCC ZINC000242495706 361758963 /nfs/dbraw/zinc/75/89/63/361758963.db2.gz GMZBZXWOSQIQKN-GLEZIHRCSA-N 0 3 257.292 1.306 50 0 CDAAHN Cc1ccc2nc(C(=O)NCCN3CCCC3)cn2c1 ZINC000097939160 342101500 /nfs/dbraw/zinc/10/15/00/342101500.db2.gz SDUXOTHDYNPFSD-UHFFFAOYSA-N 0 3 272.352 1.468 50 0 CDAAHN C(Cc1nc([C@H]2CCOC2)no1)CN1CCCCC1 ZINC000096147972 185106994 /nfs/dbraw/zinc/10/69/94/185106994.db2.gz VNSAPAKCOOGNMT-LBPRGKRZSA-N 0 3 265.357 1.992 50 0 CDAAHN C[C@@H](C(=O)[O-])[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000263058445 361917931 /nfs/dbraw/zinc/91/79/31/361917931.db2.gz HEMRPEUUYQSFLW-MCIONIFRSA-N 0 3 298.427 1.671 50 0 CDAAHN C[C@H](C(=O)[O-])[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000263058448 361918039 /nfs/dbraw/zinc/91/80/39/361918039.db2.gz HEMRPEUUYQSFLW-MGPQQGTHSA-N 0 3 298.427 1.671 50 0 CDAAHN Cc1cc(S(=O)(=O)NCCNC2CC2)sc1C ZINC000097234937 342205678 /nfs/dbraw/zinc/20/56/78/342205678.db2.gz SDQHPFGAHBEPDB-UHFFFAOYSA-N 0 3 274.411 1.395 50 0 CDAAHN CC[C@H](Cc1ccc(C)cc1)N(C)CC(=O)NC(N)=O ZINC000096441566 529424239 /nfs/dbraw/zinc/42/42/39/529424239.db2.gz NIQWSNGPUHBRLV-CYBMUJFWSA-N 0 3 277.368 1.443 50 0 CDAAHN CCc1nn(C)c(CC)c1CNC1(CO)CCOCC1 ZINC000096493579 529766551 /nfs/dbraw/zinc/76/65/51/529766551.db2.gz QSKAXYLXJQRAEQ-UHFFFAOYSA-N 0 3 281.400 1.176 50 0 CDAAHN COc1ccnc(N2CCN(C[C@@H]3CCCOC3)CC2)n1 ZINC000252485159 362385544 /nfs/dbraw/zinc/38/55/44/362385544.db2.gz GOGYKHVFNRFQCX-ZDUSSCGKSA-N 0 3 292.383 1.034 50 0 CDAAHN O=C(CN[C@H]1CCCSC1)NCc1ccco1 ZINC000097084461 185526769 /nfs/dbraw/zinc/52/67/69/185526769.db2.gz VROPAAVRVLLFGK-JTQLQIEISA-N 0 3 254.355 1.381 50 0 CDAAHN CCOc1ccc(CN(C)C[C@@H]2CCOC2)cn1 ZINC000584887731 349346529 /nfs/dbraw/zinc/34/65/29/349346529.db2.gz UJILXRUVEKLPFF-ZDUSSCGKSA-N 0 3 250.342 1.949 50 0 CDAAHN CCc1ccc2ncn(C[C@@H]3CCN(C)C3)c(=O)c2c1 ZINC000584889378 349348101 /nfs/dbraw/zinc/34/81/01/349348101.db2.gz SBMKKXWXLHVLFU-CYBMUJFWSA-N 0 3 271.364 1.911 50 0 CDAAHN O=C(C1CCCC1)N1C[C@H](O)[C@@H](N2CCCCC2)C1 ZINC000584897368 349358727 /nfs/dbraw/zinc/35/87/27/349358727.db2.gz MESBCSVXIPGEDX-KBPBESRZSA-N 0 3 266.385 1.234 50 0 CDAAHN CCOCCC(=O)N1C[C@H](N)[C@@H](c2ccccc2)C1 ZINC000091365109 180142650 /nfs/dbraw/zinc/14/26/50/180142650.db2.gz BBFIMWMDHCXNEU-KGLIPLIRSA-N 0 3 262.353 1.366 50 0 CDAAHN Cc1cc(C)c2[nH]c(CN[C@@H]3CCCNC3=O)cc(=O)c2c1 ZINC000091680785 180226678 /nfs/dbraw/zinc/22/66/78/180226678.db2.gz AMXHINHJEGJJBW-CQSZACIVSA-N 0 3 299.374 1.513 50 0 CDAAHN Cc1cc(C)nc(NCCCN2CCC[C@H](O)C2)n1 ZINC000065431297 363246432 /nfs/dbraw/zinc/24/64/32/363246432.db2.gz YQMNLKUAAXWZNL-ZDUSSCGKSA-N 0 3 264.373 1.352 50 0 CDAAHN CCOC(=O)[C@@]1(C(C)C)CCN(C[C@H](O)C(F)(F)F)C1 ZINC000194879650 363250344 /nfs/dbraw/zinc/25/03/44/363250344.db2.gz QPHCDQWMHLTTEK-JQWIXIFHSA-N 0 3 297.317 1.821 50 0 CDAAHN CNC(=O)C(C)(C)CN[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000097373431 356094665 /nfs/dbraw/zinc/09/46/65/356094665.db2.gz NTLNYBMBBNLTFL-BIBXISHDSA-N 0 3 296.436 1.847 50 0 CDAAHN CNC(=O)NC(=O)CN[C@@H](c1ccc(F)cc1)C(C)C ZINC000012798556 356325336 /nfs/dbraw/zinc/32/53/36/356325336.db2.gz FATMIGAMZCVCSU-CYBMUJFWSA-N 0 3 281.331 1.568 50 0 CDAAHN CN1CCN(CCC(=O)Nc2ccc3c(c2)CCC3)CC1 ZINC000019841405 356509425 /nfs/dbraw/zinc/50/94/25/356509425.db2.gz ZYNIYGJXBYSUFK-UHFFFAOYSA-N 0 3 287.407 1.751 50 0 CDAAHN Cc1cc(NC(=O)CN2CCNCC2)ccc1Cl ZINC000022917515 356624340 /nfs/dbraw/zinc/62/43/40/356624340.db2.gz ZFLWFFGHBLRKGT-UHFFFAOYSA-N 0 3 267.760 1.492 50 0 CDAAHN OCC[C@H]1CN(CC2CC2)CCN1C1CCCC1 ZINC000023358122 356641782 /nfs/dbraw/zinc/64/17/82/356641782.db2.gz AXORDGDWHNTXAZ-HNNXBMFYSA-N 0 3 252.402 1.708 50 0 CDAAHN COC(=O)[C@@H](CCNCc1ccccc1)[C@H](C)O ZINC000043214667 363571500 /nfs/dbraw/zinc/57/15/00/363571500.db2.gz JGNJXWYXCHOBBP-AAEUAGOBSA-N 0 3 251.326 1.336 50 0 CDAAHN Cc1cccc([C@H](C(=O)NCCc2cnc[nH]2)N(C)C)c1 ZINC000065396383 357537088 /nfs/dbraw/zinc/53/70/88/357537088.db2.gz ODKHOBUVGDPJBQ-OAHLLOKOSA-N 0 3 286.379 1.680 50 0 CDAAHN CCOc1ccccc1OCCN1CCC[C@@H](C(N)=O)C1 ZINC000065397651 357537096 /nfs/dbraw/zinc/53/70/96/357537096.db2.gz XQELXAHXPMFDAM-CYBMUJFWSA-N 0 3 292.379 1.661 50 0 CDAAHN C[C@@H](CCn1cccn1)NC(=O)CN1CCCCCC1 ZINC000065435343 357541652 /nfs/dbraw/zinc/54/16/52/357541652.db2.gz PYHAUFRVZHMOSE-AWEZNQCLSA-N 0 3 278.400 1.654 50 0 CDAAHN N[C@@H]1CCN(C(=O)OCc2ccccc2)C[C@@H]1F ZINC000066351340 357563185 /nfs/dbraw/zinc/56/31/85/357563185.db2.gz SYVUWEZGXXHYPH-NWDGAFQWSA-N 0 3 252.289 1.694 50 0 CDAAHN C[C@@H](NCC(=O)NCc1ccccc1F)[C@@H]1CCCO1 ZINC000097111733 357986835 /nfs/dbraw/zinc/98/68/35/357986835.db2.gz INUITPNANDIHEM-RISCZKNCSA-N 0 3 280.343 1.599 50 0 CDAAHN Cc1cn2cc(C(=O)N3CC[C@@H](N(C)C)C3)ccc2n1 ZINC000082108867 358147195 /nfs/dbraw/zinc/14/71/95/358147195.db2.gz OKOVLFYGAGJTLF-CYBMUJFWSA-N 0 3 272.352 1.419 50 0 CDAAHN CN1CCCCC[C@H]1C(=O)N1CC(c2ccccn2)C1 ZINC000095377934 358689556 /nfs/dbraw/zinc/68/95/56/358689556.db2.gz XDQHOERNYJWOGT-HNNXBMFYSA-N 0 3 273.380 1.882 50 0 CDAAHN Cc1ccnc(N2CCCO[C@H](CN3CCCCC3)C2)n1 ZINC000095392013 358692871 /nfs/dbraw/zinc/69/28/71/358692871.db2.gz PQMPMWAKCRWRBP-OAHLLOKOSA-N 0 3 290.411 1.866 50 0 CDAAHN Cc1cc(CN2CCN(C3CCCC3)C[C@H](O)C2)on1 ZINC000097495189 358780850 /nfs/dbraw/zinc/78/08/50/358780850.db2.gz YYTZJOZEHGVEEN-CQSZACIVSA-N 0 3 279.384 1.404 50 0 CDAAHN CCN1CCC[C@@H]1CNC(=O)CCCc1cn[nH]c1 ZINC000097785546 358798736 /nfs/dbraw/zinc/79/87/36/358798736.db2.gz CRDXRVSIRWSCLK-CYBMUJFWSA-N 0 3 264.373 1.333 50 0 CDAAHN O=C(NCCN1CCCC1)c1ccc2nccnc2c1 ZINC000102534633 358881072 /nfs/dbraw/zinc/88/10/72/358881072.db2.gz XKCJXJQGELBQRC-UHFFFAOYSA-N 0 3 270.336 1.455 50 0 CDAAHN Cc1nn(CCO)cc1CN(C)[C@H](C)Cc1cnccn1 ZINC000216041275 358919837 /nfs/dbraw/zinc/91/98/37/358919837.db2.gz FLFMASRURYHDIG-GFCCVEGCSA-N 0 3 289.383 1.037 50 0 CDAAHN COc1cccc(-c2cc3c(=O)n(CCN)ccn3n2)c1 ZINC000216697758 358958655 /nfs/dbraw/zinc/95/86/55/358958655.db2.gz LITRBBJHRSNOQV-UHFFFAOYSA-N 0 3 284.319 1.130 50 0 CDAAHN COc1ccc2nc(CCN(C)C(=O)c3c[nH]cn3)[nH]c2c1 ZINC000219324245 359088612 /nfs/dbraw/zinc/08/86/12/359088612.db2.gz RKGQKGRIHGXMJS-UHFFFAOYSA-N 0 3 299.334 1.609 50 0 CDAAHN COCCN(Cc1cnc(N(C)C)nc1)CC1CC1 ZINC000220395976 359170522 /nfs/dbraw/zinc/17/05/22/359170522.db2.gz KOAFTKQMJMJTEK-UHFFFAOYSA-N 0 3 264.373 1.401 50 0 CDAAHN O[C@H]1CCOC2(CCN(Cc3ccoc3)CC2)C1 ZINC000257188250 359530527 /nfs/dbraw/zinc/53/05/27/359530527.db2.gz DUZJPUCHDYADFT-ZDUSSCGKSA-N 0 3 251.326 1.786 50 0 CDAAHN CN(CCN(C)C1CC1)C(=O)CCc1ccon1 ZINC000408517659 359901181 /nfs/dbraw/zinc/90/11/81/359901181.db2.gz LWBXBEODAFPEAO-UHFFFAOYSA-N 0 3 251.330 1.160 50 0 CDAAHN CC(C)(C)OC(=O)N1CCN2[C@H](CC[C@H]2CO)C1 ZINC000238098794 360220503 /nfs/dbraw/zinc/22/05/03/360220503.db2.gz SIVMHISIWYDSFX-MNOVXSKESA-N 0 3 256.346 1.062 50 0 CDAAHN CCN1CCCC[C@@H]1CNc1cncc(C(=O)N(C)C)n1 ZINC000429198047 360777706 /nfs/dbraw/zinc/77/77/06/360777706.db2.gz MDBLHIQLARHGIC-GFCCVEGCSA-N 0 3 291.399 1.465 50 0 CDAAHN CCN1CCC[C@H]1CNC(=O)N(C)CCc1ccccn1 ZINC000105777817 361593101 /nfs/dbraw/zinc/59/31/01/361593101.db2.gz VQVUNSBETSGORA-HNNXBMFYSA-N 0 3 290.411 1.750 50 0 CDAAHN CCC(=O)N1CC[C@H](NCc2nccn2C)[C@H](CC)C1 ZINC000089949195 366979136 /nfs/dbraw/zinc/97/91/36/366979136.db2.gz VIDJXJXJSZPSAM-OLZOCXBDSA-N 0 3 278.400 1.547 50 0 CDAAHN COC(=O)CC(C)(C)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000252508582 367656970 /nfs/dbraw/zinc/65/69/70/367656970.db2.gz XPIYNGPWQAOGKE-QWRGUYRKSA-N 0 3 282.384 1.317 50 0 CDAAHN CC(C)COCCN1CCC(n2cncn2)CC1 ZINC000252507997 367653046 /nfs/dbraw/zinc/65/30/46/367653046.db2.gz WZSFBBODEZYPBF-UHFFFAOYSA-N 0 3 252.362 1.588 50 0 CDAAHN CC(C)(C)NC(=O)NCC1CCN([C@H]2CCOC2)CC1 ZINC000575606439 370615428 /nfs/dbraw/zinc/61/54/28/370615428.db2.gz JMCWALOXAPRXRU-ZDUSSCGKSA-N 0 3 283.416 1.585 50 0 CDAAHN Cc1[nH]ncc1CN(C)Cc1nc(C(F)(F)F)no1 ZINC000670439999 482984504 /nfs/dbraw/zinc/98/45/04/482984504.db2.gz LGYIDVRDOAVSEO-UHFFFAOYSA-N 0 3 275.234 1.752 50 0 CDAAHN CN(C)[C@H]1CCN(C(=O)[C@@](C)(O)CCc2ccccc2)C1 ZINC000253392253 373680788 /nfs/dbraw/zinc/68/07/88/373680788.db2.gz HHICDLAAOORSGV-RDJZCZTQSA-N 0 3 290.407 1.533 50 0 CDAAHN CNCC(=O)Nc1cc(C)n(-c2cccc(F)c2)n1 ZINC000193142893 373682501 /nfs/dbraw/zinc/68/25/01/373682501.db2.gz HTNWVGCEEPRHSW-UHFFFAOYSA-N 0 3 262.288 1.478 50 0 CDAAHN Cc1nn(C)cc1CN1C[C@@H](c2ccncc2)[C@H](CO)C1 ZINC000253415155 373723017 /nfs/dbraw/zinc/72/30/17/373723017.db2.gz ZVCQTAFWWRZUAV-HOTGVXAUSA-N 0 3 286.379 1.331 50 0 CDAAHN CCOc1ccccc1CNCC1(O)CCOCC1 ZINC000112717047 374227020 /nfs/dbraw/zinc/22/70/20/374227020.db2.gz UIIUVHWDPVRMJM-UHFFFAOYSA-N 0 3 265.353 1.716 50 0 CDAAHN CN(CCNC(=O)N[C@H](c1nccs1)C1CC1)C1CC1 ZINC000095405329 374910019 /nfs/dbraw/zinc/91/00/19/374910019.db2.gz LLBQYCHLKXGTQD-LBPRGKRZSA-N 0 3 294.424 1.988 50 0 CDAAHN CCn1cc(NC(=O)[C@@H](C2CC2)N2CCCC2)ccc1=O ZINC000097115142 375148847 /nfs/dbraw/zinc/14/88/47/375148847.db2.gz JKENJDLDDQYYGA-OAHLLOKOSA-N 0 3 289.379 1.681 50 0 CDAAHN Cc1[nH]c2ccccc2c1C(=O)C(=O)NCCCN(C)C ZINC000004163505 375901304 /nfs/dbraw/zinc/90/13/04/375901304.db2.gz WHFAMOXUVIYLMF-UHFFFAOYSA-N 0 3 287.363 1.727 50 0 CDAAHN Cc1ncccc1CN[C@]1(CO)COc2ccccc2C1 ZINC000527769524 391943418 /nfs/dbraw/zinc/94/34/18/391943418.db2.gz QOJPWSKSDPGCHE-QGZVFWFLSA-N 0 3 284.359 1.846 50 0 CDAAHN CN(C)[C@@H](CNC(=S)NC1CC1)c1ccccc1 ZINC000006334597 170193189 /nfs/dbraw/zinc/19/31/89/170193189.db2.gz SWJANHZPOPXMGK-ZDUSSCGKSA-N 0 3 263.410 1.916 50 0 CDAAHN CN1CCC(NC(=S)NCCc2ccccc2)CC1 ZINC000007777129 170301875 /nfs/dbraw/zinc/30/18/75/170301875.db2.gz HIWFJHDSKWMLJR-UHFFFAOYSA-N 0 3 277.437 1.787 50 0 CDAAHN COc1c2c(c(CNC(C)=O)c3c1CN(C)CC3)OCO2 ZINC000008764974 170354961 /nfs/dbraw/zinc/35/49/61/170354961.db2.gz ABHFDSKXRLSXPW-UHFFFAOYSA-N 0 3 292.335 1.048 50 0 biogenic CDAAHN CCN1CCN(Cc2ccc(C(=O)OC)cc2)CC1 ZINC000020302757 171139634 /nfs/dbraw/zinc/13/96/34/171139634.db2.gz NDZKUSCLDSKIKX-UHFFFAOYSA-N 0 3 262.353 1.611 50 0 CDAAHN CCOc1cc2c(cc1CN[C@H](C)CO)O[C@H](C)C2 ZINC000035603841 172292169 /nfs/dbraw/zinc/29/21/69/172292169.db2.gz YPNWKUOFHVPGPO-GHMZBOCLSA-N 0 3 265.353 1.879 50 0 CDAAHN Cc1n[nH]c(C)c1CCN1CCC[C@H](N2CCCC2=O)C1 ZINC000071764061 176262033 /nfs/dbraw/zinc/26/20/33/176262033.db2.gz QXHCNWIPXOMPBP-AWEZNQCLSA-N 0 3 290.411 1.656 50 0 CDAAHN CC(C)CCN1CC2(CCN([C@@H](C)CO)CC2)OC1=O ZINC000072433625 277353825 /nfs/dbraw/zinc/35/38/25/277353825.db2.gz KUFVQLKTZNFMKJ-ZDUSSCGKSA-N 0 3 284.400 1.700 50 0 CDAAHN C[C@H](N[C@@H]1CCCN(CC(F)(F)F)C1=O)[C@@H]1CCCO1 ZINC000097108874 278271241 /nfs/dbraw/zinc/27/12/41/278271241.db2.gz ULSNMHGOMUEZJE-AXFHLTTASA-N 0 3 294.317 1.697 50 0 CDAAHN Cc1ccccc1N1CCCN(C[C@H]2COCCO2)CC1 ZINC000244874922 281346733 /nfs/dbraw/zinc/34/67/33/281346733.db2.gz XJRKSJXYNLFGPW-INIZCTEOSA-N 0 3 290.407 1.923 50 0 CDAAHN Cc1cnc(C(=O)NC[C@@H](c2ccccc2)N(C)C)cn1 ZINC000023198417 281574999 /nfs/dbraw/zinc/57/49/99/281574999.db2.gz BNFAYNGDQLCKPZ-HNNXBMFYSA-N 0 3 284.363 1.818 50 0 CDAAHN NC1(C(=O)N2CC[C@](O)(C(F)(F)F)C2)CCCCC1 ZINC000261616211 303354446 /nfs/dbraw/zinc/35/44/46/303354446.db2.gz TZOIBMWPNIDVTI-LLVKDONJSA-N 0 3 280.290 1.174 50 0 CDAAHN CNc1nc(C)cc(NC[C@H](c2ccccc2C)N(C)C)n1 ZINC000534638596 328334825 /nfs/dbraw/zinc/33/48/25/328334825.db2.gz XFBVJSUCWYYJJT-OAHLLOKOSA-N 0 3 299.422 1.694 50 0 CDAAHN Cc1ccccc1[C@@H](CNC(=O)C1(C)COC1)N(C)C ZINC000534654316 328338742 /nfs/dbraw/zinc/33/87/42/328338742.db2.gz MUCQXEDJWHCHFF-CQSZACIVSA-N 0 3 276.380 1.750 50 0 CDAAHN C[C@H]1OCC[C@@H]1NCc1cccc(OCC(F)F)n1 ZINC000090971908 482522724 /nfs/dbraw/zinc/52/27/24/482522724.db2.gz ZDXAWNDSQMAVNP-KOLCDFICSA-N 0 3 272.295 1.993 50 0 CDAAHN COCC1(C(=O)NCC(C)(C)N2CCCC2)CCC1 ZINC000670444982 482995011 /nfs/dbraw/zinc/99/50/11/482995011.db2.gz GXAIBPCJJSAFRY-UHFFFAOYSA-N 0 3 268.401 1.794 50 0 CDAAHN CC(C)[C@H](Cc1ccccc1)C(=O)NC[C@H](O)CN(C)C ZINC000084410508 483276608 /nfs/dbraw/zinc/27/66/08/483276608.db2.gz ZYGSNLNBXIOWLY-HOTGVXAUSA-N 0 3 292.423 1.540 50 0 CDAAHN CSCC[C@H](N)C(=O)Nc1cnn(C(C)C)c1 ZINC000061683484 525587925 /nfs/dbraw/zinc/58/79/25/525587925.db2.gz ZMXRDMSVPSVYJU-JTQLQIEISA-N 0 3 256.375 1.483 50 0 CDAAHN COc1ccc(F)c(CN2C[C@@H]3COCC[C@]3(CO)C2)c1 ZINC001772700787 1159436824 /nfs/dbraw/zinc/43/68/24/1159436824.db2.gz HJNMUFSBFXZRHE-CZUORRHYSA-N 0 3 295.354 1.665 50 0 CDAAHN Cc1ccc(-n2cc(CN3C[C@@H]4[C@H](O)C[C@@H]4C3)cn2)cc1 ZINC001772707652 1159442620 /nfs/dbraw/zinc/44/26/20/1159442620.db2.gz WURXZFIMZPAAMH-HYVNUMGLSA-N 0 3 283.375 1.993 50 0 CDAAHN Cc1cc(C(=O)N(C)CCN2CCC(C)CC2)n(C)n1 ZINC000019224481 748620741 /nfs/dbraw/zinc/62/07/41/748620741.db2.gz SWEHGRFOOZQVOR-UHFFFAOYSA-N 0 3 278.400 1.532 50 0 CDAAHN OC1CCN(CCNc2ccc3cc[nH]c3n2)CC1 ZINC000072140153 748756553 /nfs/dbraw/zinc/75/65/53/748756553.db2.gz DJOOBYBQSARSDD-UHFFFAOYSA-N 0 3 260.341 1.432 50 0 CDAAHN CN(C[C@H]1CCCO1)C(=O)CN1CCCCCC1 ZINC000823629715 925715740 /nfs/dbraw/zinc/71/57/40/925715740.db2.gz OIYUAMJNQKLBSW-CYBMUJFWSA-N 0 3 254.374 1.500 50 0 CDAAHN COCCn1ccnc1CN1CC(N2CCCC[C@@H]2C)C1 ZINC000824466323 925822225 /nfs/dbraw/zinc/82/22/25/925822225.db2.gz PKTLNUCXMLOJDS-AWEZNQCLSA-N 0 3 292.427 1.588 50 0 CDAAHN CC1CCC2(CC1)OC[C@H](CNCc1cnn(C)c1)O2 ZINC000584908411 930677990 /nfs/dbraw/zinc/67/79/90/930677990.db2.gz FOODVLUAMFLOPU-BLZCZZARSA-N 0 3 279.384 1.832 50 0 CDAAHN COCCN1CC[C@@H](CN(C)c2ccc(C(C)=O)cn2)C1 ZINC001529167925 969000271 /nfs/dbraw/zinc/00/02/71/969000271.db2.gz SUXNTKAQOUOIOX-AWEZNQCLSA-N 0 3 291.395 1.689 50 0 CDAAHN Cc1nncn1CCN1CCN(CCc2ccccc2)CC1 ZINC001506397904 975147975 /nfs/dbraw/zinc/14/79/75/975147975.db2.gz GJKLQKARJDHDDK-UHFFFAOYSA-N 0 3 299.422 1.447 50 0 CDAAHN COc1ccc(CN2CCC[C@@H]2CO)c(OC)c1C ZINC000006667497 342089132 /nfs/dbraw/zinc/08/91/32/342089132.db2.gz JBDQEEDZWGBFQW-CYBMUJFWSA-N 0 3 265.353 1.969 50 0 CDAAHN CCc1noc(CN(C)C(=O)C[C@H](N)c2ccccc2)n1 ZINC000119082344 342144355 /nfs/dbraw/zinc/14/43/55/342144355.db2.gz IVTKBBGIBNBXJS-LBPRGKRZSA-N 0 3 288.351 1.681 50 0 CDAAHN Cc1nc(CCN(C)C[C@H]2COCCO2)cs1 ZINC000244882577 361867958 /nfs/dbraw/zinc/86/79/58/361867958.db2.gz XUKRSXCHMCAMBK-LBPRGKRZSA-N 0 3 256.371 1.341 50 0 CDAAHN C[C@H](Cc1ccc(F)cc1)NC(=O)CNC[C@H]1CCCO1 ZINC000097229055 342204877 /nfs/dbraw/zinc/20/48/77/342204877.db2.gz GRUWFDVRQOFPOO-IUODEOHRSA-N 0 3 294.370 1.642 50 0 CDAAHN C[C@@H](N[C@H]1CCC(=O)N(C)C1)c1cccc(CO)c1 ZINC000097035125 185157520 /nfs/dbraw/zinc/15/75/20/185157520.db2.gz YIFWYGUIGLDVPA-RISCZKNCSA-N 0 3 262.353 1.450 50 0 CDAAHN CC(C)NS(=O)(=O)CCN[C@H](C)c1ccccc1 ZINC000173390385 365696141 /nfs/dbraw/zinc/69/61/41/365696141.db2.gz CJBIORBOAYNJAG-GFCCVEGCSA-N 0 3 270.398 1.665 50 0 CDAAHN COC[C@H](O)CN1CC[C@H](Nc2ccccc2)C1 ZINC000127900107 187339983 /nfs/dbraw/zinc/33/99/83/187339983.db2.gz KTACGRJNZSCJIB-UONOGXRCSA-N 0 3 250.342 1.180 50 0 CDAAHN CSCC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000083847683 362255544 /nfs/dbraw/zinc/25/55/44/362255544.db2.gz LIBXBKFBVQICSA-LBPRGKRZSA-N 0 3 252.383 1.769 50 0 CDAAHN Cc1n[nH]cc1C(=O)N(CCN(C)C)Cc1cccs1 ZINC000084282471 362258954 /nfs/dbraw/zinc/25/89/54/362258954.db2.gz RAKXOUHPIRSXJS-UHFFFAOYSA-N 0 3 292.408 1.984 50 0 CDAAHN CNC(=O)Cc1cccc(OCCN2CCCCC2)c1 ZINC000194438812 362356358 /nfs/dbraw/zinc/35/63/58/362356358.db2.gz SQPMYPPBPUEIDH-UHFFFAOYSA-N 0 3 276.380 1.840 50 0 CDAAHN C[C@@H](NCCS(=O)(=O)c1ccccc1)[C@@H]1CCCO1 ZINC000097108725 185535124 /nfs/dbraw/zinc/53/51/24/185535124.db2.gz URJHRYJJCKRWBM-OCCSQVGLSA-N 0 3 283.393 1.617 50 0 CDAAHN CC[C@@](C)(NCc1ccc(-n2ccnc2)cc1C)C(N)=O ZINC000192114251 362610631 /nfs/dbraw/zinc/61/06/31/362610631.db2.gz GWFFIKBNYJORRC-MRXNPFEDSA-N 0 3 286.379 1.924 50 0 CDAAHN CC(C)C1=NO[C@H](C(=O)N(C)CCN2CCCC2)C1 ZINC000584896126 349357525 /nfs/dbraw/zinc/35/75/25/349357525.db2.gz YURIABTYVOELFZ-ZDUSSCGKSA-N 0 3 267.373 1.342 50 0 CDAAHN O=C(CC1CCCC1)NCCN1CCC[C@H](CO)C1 ZINC000584884668 349342149 /nfs/dbraw/zinc/34/21/49/349342149.db2.gz OYMTYQFQYNVDHO-AWEZNQCLSA-N 0 3 268.401 1.387 50 0 CDAAHN O=C(CCC(F)(F)F)NCCCN1CCC[C@@H](O)C1 ZINC000584887043 349345713 /nfs/dbraw/zinc/34/57/13/349345713.db2.gz QIYDTUFDQLKLRI-SNVBAGLBSA-N 0 3 282.306 1.292 50 0 CDAAHN CSCC(=O)N[C@@H](CN1CCCC1)C(C)(C)C ZINC000584898734 349359712 /nfs/dbraw/zinc/35/97/12/349359712.db2.gz LEPGATPKKUJSEV-NSHDSACASA-N 0 3 258.431 1.976 50 0 CDAAHN CCn1nc(CC(C)C)cc1C(=O)NCCN1CCCC1 ZINC000091643751 180213813 /nfs/dbraw/zinc/21/38/13/180213813.db2.gz QYJNDPQRUQKSMO-UHFFFAOYSA-N 0 3 292.427 1.927 50 0 CDAAHN COc1ccc2c(c1)OC[C@@H](CNC(=O)C(C)(C)N)C2 ZINC000091943767 180290360 /nfs/dbraw/zinc/29/03/60/180290360.db2.gz KYQJHDHKUNNORW-SNVBAGLBSA-N 0 3 278.352 1.100 50 0 CDAAHN CC1(C)Cc2c(cnn2-c2ccccc2)[C@@H](NC(=O)CN)C1 ZINC000092002462 180304440 /nfs/dbraw/zinc/30/44/40/180304440.db2.gz VPYCMYQUARCNQK-AWEZNQCLSA-N 0 3 298.390 1.961 50 0 CDAAHN CC1(C)Cc2c(cnn2-c2ccccc2)[C@H](NC(=O)CN)C1 ZINC000092002458 180304941 /nfs/dbraw/zinc/30/49/41/180304941.db2.gz VPYCMYQUARCNQK-CQSZACIVSA-N 0 3 298.390 1.961 50 0 CDAAHN 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c1ccn2c(c1)nnc2CN[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000108176375 186208082 /nfs/dbraw/zinc/20/80/82/186208082.db2.gz HAJSXVJANHZYEY-NILFDRSVSA-N 0 3 284.363 1.777 50 0 CDAAHN Cn1ccnc1CN1CCC[C@@H](N2CCC(CO)CC2)C1 ZINC000022851150 356227132 /nfs/dbraw/zinc/22/71/32/356227132.db2.gz CIEDEPJPUAWNRQ-OAHLLOKOSA-N 0 3 292.427 1.089 50 0 CDAAHN CC(C)(C)OC(=O)NC[C@H](N)c1ccc2c(c1)OCO2 ZINC000012357114 356294858 /nfs/dbraw/zinc/29/48/58/356294858.db2.gz SPSZUBZMVYTJJF-JTQLQIEISA-N 0 3 280.324 1.940 50 0 CDAAHN CCN(CC)CCNC(=O)C(=O)Nc1cccc(F)c1 ZINC000004583706 356432789 /nfs/dbraw/zinc/43/27/89/356432789.db2.gz CZNKIDOYVZWZNX-UHFFFAOYSA-N 0 3 281.331 1.222 50 0 CDAAHN CCN(CCN1C(=O)NC(C)(C)C1=O)Cc1ccccc1 ZINC000024747700 356661260 /nfs/dbraw/zinc/66/12/60/356661260.db2.gz DZGWVAQGICIWRI-UHFFFAOYSA-N 0 3 289.379 1.839 50 0 CDAAHN NCC(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000037822422 356935607 /nfs/dbraw/zinc/93/56/07/356935607.db2.gz VOIYSFDFEDLQOL-LLVKDONJSA-N 0 3 254.717 1.199 50 0 CDAAHN CC(C)=CCN1CCN(Cc2cc(C)[nH]n2)C[C@H]1CCO ZINC000039466366 356973378 /nfs/dbraw/zinc/97/33/78/356973378.db2.gz YFHIGPYGFPHRQM-MRXNPFEDSA-N 0 3 292.427 1.553 50 0 CDAAHN CN1CCC(NC(=O)COc2cccc(Cl)c2)CC1 ZINC000061031493 357448786 /nfs/dbraw/zinc/44/87/86/357448786.db2.gz WAUWMRWMDWDWSW-UHFFFAOYSA-N 0 3 282.771 1.929 50 0 CDAAHN CCc1cc(N2CCN3CCCC[C@@H]3C2)nc(N(C)C)n1 ZINC000065423344 357540371 /nfs/dbraw/zinc/54/03/71/357540371.db2.gz QCSJFNOYXQECHL-CQSZACIVSA-N 0 3 289.427 1.780 50 0 CDAAHN CN(C)Cc1cccc(CNc2ncnc3c2CCNC3)c1 ZINC000067788180 357627628 /nfs/dbraw/zinc/62/76/28/357627628.db2.gz GJOWQKDKEOLSFK-UHFFFAOYSA-N 0 3 297.406 1.796 50 0 CDAAHN COc1cccc(OCC(=O)NC[C@H]2CCCN(C)C2)c1 ZINC000067604972 357614057 /nfs/dbraw/zinc/61/40/57/357614057.db2.gz SXNXFKZHDJABQB-CYBMUJFWSA-N 0 3 292.379 1.532 50 0 CDAAHN C[C@H](N)C(=O)NCc1cccnc1N(C)Cc1ccccc1 ZINC000067967033 357641038 /nfs/dbraw/zinc/64/10/38/357641038.db2.gz YPJRMXOVRBZFLQ-ZDUSSCGKSA-N 0 3 298.390 1.681 50 0 CDAAHN CCc1cc(N2CCN3CCCC[C@@H]3C2)n2nccc2n1 ZINC000072421303 357749897 /nfs/dbraw/zinc/74/98/97/357749897.db2.gz GNMJPRQHZGGWDA-CQSZACIVSA-N 0 3 285.395 1.966 50 0 CDAAHN COCc1cc(NCCN2CCCCC2)n2nccc2n1 ZINC000072432832 357835272 /nfs/dbraw/zinc/83/52/72/357835272.db2.gz KTLYRKFQJSZERR-UHFFFAOYSA-N 0 3 289.383 1.774 50 0 CDAAHN CC(C)[C@H](N)C(=O)N(C)Cc1cn(C)nc1C(F)(F)F ZINC000195554696 358557924 /nfs/dbraw/zinc/55/79/24/358557924.db2.gz SHAZIGMDSSYXBY-VIFPVBQESA-N 0 3 292.305 1.381 50 0 CDAAHN CCc1cc(Cl)ccc1NC(=O)NC[C@H](O)CN(C)C ZINC000097632166 358788598 /nfs/dbraw/zinc/78/85/98/358788598.db2.gz CWJIFCRYMUVQBW-LBPRGKRZSA-N 0 3 299.802 1.946 50 0 CDAAHN Cc1ccc(F)cc1CNC(=O)C1(O)CCN(C)CC1 ZINC000097713579 358794915 /nfs/dbraw/zinc/79/49/15/358794915.db2.gz CIXMNRBMZRGKQS-UHFFFAOYSA-N 0 3 280.343 1.207 50 0 CDAAHN CCn1ccnc1CN1CCC(OCCN(C)C)CC1 ZINC000215538435 358894401 /nfs/dbraw/zinc/89/44/01/358894401.db2.gz JXGMFMWJAHNIIG-UHFFFAOYSA-N 0 3 280.416 1.446 50 0 CDAAHN Cc1nc(C)c(CC(=O)NCCN2CCCC2)s1 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CCOc1ccccc1CNCCSc1nnnn1C ZINC000004998023 170052172 /nfs/dbraw/zinc/05/21/72/170052172.db2.gz YHULQVQKUIFYFI-UHFFFAOYSA-N 0 3 293.396 1.491 50 0 CDAAHN COc1ccc2cc(C(=O)NCCN(C)C)[nH]c2c1 ZINC000005302419 170084615 /nfs/dbraw/zinc/08/46/15/170084615.db2.gz QJYHOECAZOTIHW-UHFFFAOYSA-N 0 3 261.325 1.468 50 0 CDAAHN O=S(=O)(NCCCN1CCCC1)c1cccs1 ZINC000007728018 170299207 /nfs/dbraw/zinc/29/92/07/170299207.db2.gz IFFYICPSWPDMOK-UHFFFAOYSA-N 0 3 274.411 1.512 50 0 CDAAHN CCOc1ccc(OCCN2CCC(C(N)=O)CC2)cc1 ZINC000008317253 170330401 /nfs/dbraw/zinc/33/04/01/170330401.db2.gz XOQSDWUBCVOLCQ-UHFFFAOYSA-N 0 3 292.379 1.661 50 0 CDAAHN CCC/C=C/CN1CCC(n2cc(CO)nn2)CC1 ZINC000020256213 171110783 /nfs/dbraw/zinc/11/07/83/171110783.db2.gz IGJZKAGDNJLZSZ-SNAWJCMRSA-N 0 3 264.373 1.764 50 0 CDAAHN CN1CCC(C)(c2nc(CCN3CCCC3=O)no2)CC1 ZINC000020451341 171207559 /nfs/dbraw/zinc/20/75/59/171207559.db2.gz BESYKGXIZONOMG-UHFFFAOYSA-N 0 3 292.383 1.218 50 0 CDAAHN COC(=O)[C@H](C)CN1CCN(Cc2ccccc2)CC1 ZINC000022038911 171350292 /nfs/dbraw/zinc/35/02/92/171350292.db2.gz TYEGCTFOVYJSIJ-CQSZACIVSA-N 0 3 276.380 1.613 50 0 CDAAHN COC(=O)c1ccc(CN(C)CCN(C)C)cc1 ZINC000022586544 171393331 /nfs/dbraw/zinc/39/33/31/171393331.db2.gz UPVFBCZNQNRJJV-UHFFFAOYSA-N 0 3 250.342 1.467 50 0 CDAAHN CCC(=O)N1CCCN(C(=O)C2(N)CCCCC2)CC1 ZINC000038101601 174117714 /nfs/dbraw/zinc/11/77/14/174117714.db2.gz KDHUTPHQDFDKRS-UHFFFAOYSA-N 0 3 281.400 1.119 50 0 CDAAHN Cc1cc(NCCSc2nccn2C)nc(N)n1 ZINC000045724720 175382662 /nfs/dbraw/zinc/38/26/62/175382662.db2.gz VBJYZEXRJMFXAW-UHFFFAOYSA-N 0 3 264.358 1.305 50 0 CDAAHN COC(=O)N[C@@H](C)c1nc(CC2CCN(C)CC2)no1 ZINC000067688729 175784054 /nfs/dbraw/zinc/78/40/54/175784054.db2.gz AIJXSBXVYHFUHI-VIFPVBQESA-N 0 3 282.344 1.371 50 0 CDAAHN NC(=O)CC[C@H]1CCCN(Cc2cccnc2N)C1 ZINC000072148478 176325596 /nfs/dbraw/zinc/32/55/96/176325596.db2.gz OYKMTQKMYVHMTB-LLVKDONJSA-N 0 3 262.357 1.141 50 0 CDAAHN Cc1ccc(OC2CCN(C(=O)[C@@H](C)N)CC2)cc1 ZINC000077408157 177264158 /nfs/dbraw/zinc/26/41/58/177264158.db2.gz JFCCPZVOBDFREW-GFCCVEGCSA-N 0 3 262.353 1.712 50 0 CDAAHN CN1CCC(C(=O)N2CCN(C)c3ccccc3C2)CC1 ZINC000095402777 273867866 /nfs/dbraw/zinc/86/78/66/273867866.db2.gz UUJQNHAOQPHENM-UHFFFAOYSA-N 0 3 287.407 1.807 50 0 CDAAHN CCCc1nnc(C(=O)N2CCC[C@]3(CCN(C)C3)C2)o1 ZINC000071764963 276057318 /nfs/dbraw/zinc/05/73/18/276057318.db2.gz IMFYLFBYMDRLSM-OAHLLOKOSA-N 0 3 292.383 1.580 50 0 CDAAHN CCO[C@@H]1CCCN(C(=O)C2(N)Cc3ccccc3C2)C1 ZINC000299738739 276467251 /nfs/dbraw/zinc/46/72/51/276467251.db2.gz FSSJYSHLUUZCOY-OAHLLOKOSA-N 0 3 288.391 1.510 50 0 CDAAHN c1cncc(CNC[C@H]2COC3(CCOCC3)O2)c1 ZINC000095991138 280501594 /nfs/dbraw/zinc/50/15/94/280501594.db2.gz XVCOQUZNZWFKRN-ZDUSSCGKSA-N 0 3 264.325 1.093 50 0 CDAAHN C[C@H](CCNC(=O)Cc1ccsc1)N1CCN(C)CC1 ZINC000534577283 328310405 /nfs/dbraw/zinc/31/04/05/328310405.db2.gz SPGQYUSJYLOHQS-CYBMUJFWSA-N 0 3 295.452 1.433 50 0 CDAAHN CCC[C@H](CNC(=O)N1CC(c2ccncc2)C1)N(C)C ZINC000534587883 328316237 /nfs/dbraw/zinc/31/62/37/328316237.db2.gz CUGOVPAANNZRNZ-OAHLLOKOSA-N 0 3 290.411 1.921 50 0 CDAAHN CCOC(=O)N1CCC(N[C@H](C)c2nc(C)c[nH]2)CC1 ZINC000534660549 328339721 /nfs/dbraw/zinc/33/97/21/328339721.db2.gz NANFFKKUINTOLG-LLVKDONJSA-N 0 3 280.372 1.990 50 0 CDAAHN O[C@H]1CN(c2nc3ccccc3o2)C[C@@H]1N1CCCC1 ZINC000670459526 483040581 /nfs/dbraw/zinc/04/05/81/483040581.db2.gz VOUQIMLBNBVVKX-STQMWFEESA-N 0 3 273.336 1.473 50 0 CDAAHN CC[C@H](C)[C@@H](N)C(=O)N1CCC(N2CCCCC2=O)CC1 ZINC000096499726 529213730 /nfs/dbraw/zinc/21/37/30/529213730.db2.gz ZEABLEHPLRBBNZ-SWLSCSKDSA-N 0 3 295.427 1.363 50 0 CDAAHN Cc1cc(N)nc(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)n1 ZINC000871101504 630805446 /nfs/dbraw/zinc/80/54/46/630805446.db2.gz QMUKOCGIVORDSO-WCQGTBRESA-N 0 3 260.341 1.737 50 0 CDAAHN CC(=O)N1CCCN(CCc2c(C)n[nH]c2C)CC1 ZINC000426641353 797446104 /nfs/dbraw/zinc/44/61/04/797446104.db2.gz JIGNLIAPYOJWJV-UHFFFAOYSA-N 0 3 264.373 1.123 50 0 CDAAHN Cc1c[nH]c([C@@H](C)NC(=O)C(C)(C)N2CCCC2)n1 ZINC000426698183 902903403 /nfs/dbraw/zinc/90/34/03/902903403.db2.gz GBEVXRRQOIMOIB-LLVKDONJSA-N 0 3 264.373 1.770 50 0 CDAAHN CCCOc1cccc(NC(=O)[C@@]2(N)CC[C@H](O)C2)c1 ZINC000952884251 910458590 /nfs/dbraw/zinc/45/85/90/910458590.db2.gz RPOJIQADDSFYRL-SWLSCSKDSA-N 0 3 278.352 1.656 50 0 CDAAHN O=C(C[NH+]1CCCCCC1)N1CCC[C@@H](c2nnc[n-]2)C1 ZINC000952991786 910538448 /nfs/dbraw/zinc/53/84/48/910538448.db2.gz SOOWSMGOIAUFPX-CYBMUJFWSA-N 0 3 291.399 1.387 50 0 CDAAHN CC(C)(CNS(=O)(=O)CC1CCCC1)N1CCCC1 ZINC000828387654 926116901 /nfs/dbraw/zinc/11/69/01/926116901.db2.gz DNLGITPPVYLFTN-UHFFFAOYSA-N 0 3 288.457 1.970 50 0 CDAAHN CN1CCN(Cc2cccc3cnccc32)C[C@H]1CCO ZINC000828747176 926174133 /nfs/dbraw/zinc/17/41/33/926174133.db2.gz IMHMYRAISBOAKT-MRXNPFEDSA-N 0 3 285.391 1.733 50 0 CDAAHN O[C@@H]1CN(Cc2cccs2)C[C@H]1Cc1cnccn1 ZINC001529126816 968987880 /nfs/dbraw/zinc/98/78/80/968987880.db2.gz QOKCITWRCXUQGZ-BXUZGUMPSA-N 0 3 275.377 1.574 50 0 CDAAHN O=C(CN[C@H]1CCN(c2ccccc2)C1)N1CCCC1 ZINC001506412405 975153783 /nfs/dbraw/zinc/15/37/83/975153783.db2.gz CHFSUONZDAKPIB-AWEZNQCLSA-N 0 3 273.380 1.477 50 0 CDAAHN CC(C)CN1CCN(c2ccncc2F)C[C@@H]1CCO ZINC001506416047 975155409 /nfs/dbraw/zinc/15/54/09/975155409.db2.gz DBHMOTCFMOKFLW-ZDUSSCGKSA-N 0 3 281.375 1.750 50 0 CDAAHN Cc1nn(C)c2nc(N(C)CCN(C)C)sc12 ZINC000095517986 185002227 /nfs/dbraw/zinc/00/22/27/185002227.db2.gz XHPPBEZMWTZYSX-UHFFFAOYSA-N 0 3 253.375 1.336 50 0 CDAAHN CC[C@@H]1CN(CC2(O)CCCCC2)CCN1C[C@H](C)O ZINC000107320818 398139541 /nfs/dbraw/zinc/13/95/41/398139541.db2.gz VAUXIGXURRWGEN-LSDHHAIUSA-N 0 3 284.444 1.459 50 0 CDAAHN CC(C)C[C@H](N)C(=O)N1CC[C@@H](Oc2ccncc2)C1 ZINC000195554338 342625935 /nfs/dbraw/zinc/62/59/35/342625935.db2.gz APQYKKFLZLHAJE-KGLIPLIRSA-N 0 3 277.368 1.435 50 0 CDAAHN N[C@H](CC(=O)N1CC[C@@]2(CCOC2)C1)c1ccccc1 ZINC000195544244 342626621 /nfs/dbraw/zinc/62/66/21/342626621.db2.gz RVJQCDJBVJEHSH-GDBMZVCRSA-N 0 3 274.364 1.716 50 0 CDAAHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)Nc1cccn(C)c1=O ZINC000685939647 539045764 /nfs/dbraw/zinc/04/57/64/539045764.db2.gz ATXFIQXNONHXKE-DGCLKSJQSA-N 0 3 292.383 1.189 50 0 CDAAHN Nc1nc([C@H]2CC[N@H+](Cc3cccc(F)c3)C2)cc(=O)[n-]1 ZINC000585116317 362043195 /nfs/dbraw/zinc/04/31/95/362043195.db2.gz QKAURUNSOJWTKT-NSHDSACASA-N 0 3 288.326 1.723 50 0 CDAAHN Nc1nc([C@H]2CC[N@@H+](Cc3cccc(F)c3)C2)cc(=O)[n-]1 ZINC000585116317 362043200 /nfs/dbraw/zinc/04/32/00/362043200.db2.gz QKAURUNSOJWTKT-NSHDSACASA-N 0 3 288.326 1.723 50 0 CDAAHN COc1ccccc1CNC(=O)CCN1CCSCC1 ZINC000252497609 362389012 /nfs/dbraw/zinc/38/90/12/362389012.db2.gz QKSDRIFIMSHAJA-UHFFFAOYSA-N 0 3 294.420 1.750 50 0 CDAAHN CN(CCC1(O)CCCC1)C(=O)CN1CCCC1 ZINC000584886430 349344929 /nfs/dbraw/zinc/34/49/29/349344929.db2.gz LWGCVRRQPHPFPD-UHFFFAOYSA-N 0 3 254.374 1.236 50 0 CDAAHN O[C@]1(CN[C@H]2CCSc3ccccc32)CCOC1 ZINC000090848012 180044344 /nfs/dbraw/zinc/04/43/44/180044344.db2.gz PWWOPMHLPUYEJZ-JSGCOSHPSA-N 0 3 265.378 1.965 50 0 CDAAHN CC[C@@H](C(=O)NCCN1CCCC1)n1cccn1 ZINC000091755859 180246626 /nfs/dbraw/zinc/24/66/26/180246626.db2.gz CRRKXZWNCZCFMO-LBPRGKRZSA-N 0 3 250.346 1.046 50 0 CDAAHN CN1CCO[C@H](CNCc2c[nH]nc2-c2ccccc2)C1 ZINC000105471825 186059699 /nfs/dbraw/zinc/05/96/99/186059699.db2.gz WJTWNAOSNPYJCH-OAHLLOKOSA-N 0 3 286.379 1.497 50 0 CDAAHN CN1CCO[C@H](CNCc2cccc(Cl)c2)C1 ZINC000105472189 186059844 /nfs/dbraw/zinc/05/98/44/186059844.db2.gz ACMLBZFJGAGMEW-CYBMUJFWSA-N 0 3 254.761 1.760 50 0 CDAAHN CC[C@@H]1CN(Cc2c(C)noc2C)CCN1C[C@H](C)O ZINC000106929181 186152186 /nfs/dbraw/zinc/15/21/86/186152186.db2.gz OKCAQCOZLIWETM-SMDDNHRTSA-N 0 3 281.400 1.568 50 0 CDAAHN C[C@H](NC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C)[C@@H]1CN(C)CCO1 ZINC000095429628 351397790 /nfs/dbraw/zinc/39/77/90/351397790.db2.gz VIWHFHNPZPIKEC-AICCOOGYSA-N 0 3 297.443 1.083 50 0 CDAAHN OCc1ccc(CN[C@H]2CCCN(c3ncccn3)C2)o1 ZINC000012304133 366045165 /nfs/dbraw/zinc/04/51/65/366045165.db2.gz ISSUTJKGDMACAM-LBPRGKRZSA-N 0 3 288.351 1.321 50 0 CDAAHN Cc1ccc(C(=O)N[C@@H](CN(C)C)c2ccccc2)c(=O)[nH]1 ZINC000097465155 356160888 /nfs/dbraw/zinc/16/08/88/356160888.db2.gz FQBDZZIKIGTYJQ-HNNXBMFYSA-N 0 3 299.374 1.716 50 0 CDAAHN CN(C)C[C@@H](O)COc1ccc(CN2CCCCO2)cc1 ZINC000015061538 356405496 /nfs/dbraw/zinc/40/54/96/356405496.db2.gz WXVMKBNIENTOSL-OAHLLOKOSA-N 0 3 294.395 1.515 50 0 CDAAHN CC(C)=CCC[C@H](C)CN1CCN(CCOCCO)CC1 ZINC000019632849 356494202 /nfs/dbraw/zinc/49/42/02/356494202.db2.gz YHQTWPCGEFEOQU-KRWDZBQOSA-N 0 3 298.471 1.995 50 0 CDAAHN O=S(=O)([N-]C[C@@H]1CCCC[NH2+]1)c1ccccc1F ZINC000019400225 356795690 /nfs/dbraw/zinc/79/56/90/356795690.db2.gz SRRJARZLXSMNLE-JTQLQIEISA-N 0 3 272.345 1.246 50 0 CDAAHN CCS(=O)(=O)N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000096470376 357479445 /nfs/dbraw/zinc/47/94/45/357479445.db2.gz TZRBOVVJLDBQPF-TUAOUCFPSA-N 0 3 262.419 1.292 50 0 CDAAHN COc1ccc(F)cc1S(=O)(=O)[N-]CCC[NH+](C)C ZINC000065363403 357531292 /nfs/dbraw/zinc/53/12/92/357531292.db2.gz IAVSQFQRDBELPC-UHFFFAOYSA-N 0 3 290.360 1.064 50 0 CDAAHN COC(=O)[C@H](C)NC(=O)C1CCN(Cc2ccco2)CC1 ZINC000065508870 357547217 /nfs/dbraw/zinc/54/72/17/357547217.db2.gz PFMIWMNADAOSOV-NSHDSACASA-N 0 3 294.351 1.169 50 0 CDAAHN CCc1ccc(S(=O)(=O)NCC2CCN(C)CC2)cc1 ZINC000022999706 357581846 /nfs/dbraw/zinc/58/18/46/357581846.db2.gz ZGBWCTLEMFRKTL-UHFFFAOYSA-N 0 3 296.436 1.869 50 0 CDAAHN CC(C)(C)[C@@H](O)C[C@@H](CO)NCc1cccs1 ZINC000283897461 357609368 /nfs/dbraw/zinc/60/93/68/357609368.db2.gz HSHABHJEJDPIQO-JQWIXIFHSA-N 0 3 257.399 1.996 50 0 CDAAHN Cc1cccc2[nH]c(CCC(=O)N3CCN[C@H](C)C3)nc21 ZINC000188395285 357657751 /nfs/dbraw/zinc/65/77/51/357657751.db2.gz AYWHPIMTWADQCT-GFCCVEGCSA-N 0 3 286.379 1.624 50 0 CDAAHN Cc1cccc2nc(CCC(=O)N3CCN[C@H](C)C3)[nH]c21 ZINC000188395285 357657754 /nfs/dbraw/zinc/65/77/54/357657754.db2.gz AYWHPIMTWADQCT-GFCCVEGCSA-N 0 3 286.379 1.624 50 0 CDAAHN CCCc1nccn1C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000095438670 357869608 /nfs/dbraw/zinc/86/96/08/357869608.db2.gz RTOIJHSTFSBJHW-MJBXVCDLSA-N 0 3 281.400 1.306 50 0 CDAAHN Cc1nn[nH]c1C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000188785410 357936985 /nfs/dbraw/zinc/93/69/85/357936985.db2.gz ZNDLJHHDRRZHPB-ZDUSSCGKSA-N 0 3 287.367 1.454 50 0 CDAAHN O=C(NC[C@@H]1C[C@H](F)CN1)OCc1ccccc1 ZINC000082107841 358146998 /nfs/dbraw/zinc/14/69/98/358146998.db2.gz ZUOSZQZSRZGEPM-RYUDHWBXSA-N 0 3 252.289 1.613 50 0 CDAAHN CCN1CCCC[C@@H]1C(=O)N(C)CCn1cccn1 ZINC000097527191 358782471 /nfs/dbraw/zinc/78/24/71/358782471.db2.gz WGAYRUCJDHVLMH-CYBMUJFWSA-N 0 3 264.373 1.216 50 0 CDAAHN CN1CCC(CNC(=O)c2cn[nH]c2)(c2ccccc2)CC1 ZINC000215637455 358897208 /nfs/dbraw/zinc/89/72/08/358897208.db2.gz AGMJNHJAQCMMRO-UHFFFAOYSA-N 0 3 298.390 1.803 50 0 CDAAHN C[C@@H](c1ccc(-c2cc3nncn3c(N)n2)cc1)N(C)C ZINC000216432582 358944951 /nfs/dbraw/zinc/94/49/51/358944951.db2.gz XMQLVQXQJLTDRH-JTQLQIEISA-N 0 3 282.351 1.996 50 0 CDAAHN CN(C)Cc1csc(CN(C)C[C@@H]2COCCO2)c1 ZINC000216513476 358948279 /nfs/dbraw/zinc/94/82/79/358948279.db2.gz NIORBSCNFUKQSK-CYBMUJFWSA-N 0 3 284.425 1.657 50 0 CDAAHN O=C(c1cc(C(F)F)n[nH]1)N1CCN2CCC[C@H]2C1 ZINC000221452406 359250402 /nfs/dbraw/zinc/25/04/02/359250402.db2.gz UCUFUFMLOXKGSP-QMMMGPOBSA-N 0 3 270.283 1.268 50 0 CDAAHN COC(=O)[C@@H]1C[C@H](O)CN1C[C@H]1C(C)=CCC[C@H]1C ZINC000261361239 359282853 /nfs/dbraw/zinc/28/28/53/359282853.db2.gz GVMYSEUEEJARIT-RFGFWPKPSA-N 0 3 267.369 1.587 50 0 CDAAHN C[C@H](c1cccnc1)N1CCC[C@H]1Cn1cncn1 ZINC000257365775 359946364 /nfs/dbraw/zinc/94/63/64/359946364.db2.gz LZTUOJFDLLVRJU-OCCSQVGLSA-N 0 3 257.341 1.899 50 0 CDAAHN Cc1nc2cc(CNC(=O)[C@H](C)N(C)C)ccc2[nH]1 ZINC000426510471 360677448 /nfs/dbraw/zinc/67/74/48/360677448.db2.gz VOOVOSMUXJWXMV-VIFPVBQESA-N 0 3 260.341 1.438 50 0 CDAAHN Cc1nc2ccc(CNC(=O)[C@H](C)N(C)C)cc2[nH]1 ZINC000426510471 360677452 /nfs/dbraw/zinc/67/74/52/360677452.db2.gz VOOVOSMUXJWXMV-VIFPVBQESA-N 0 3 260.341 1.438 50 0 CDAAHN CC(C)(C(=O)NCCCn1ccccc1=O)N1CCCC1 ZINC000426518228 360680364 /nfs/dbraw/zinc/68/03/64/360680364.db2.gz GNQFHSQEFUSSSW-UHFFFAOYSA-N 0 3 291.395 1.229 50 0 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/nfs/dbraw/zinc/79/71/60/358797160.db2.gz XQTXXZAWNHDHCJ-GJZGRUSLSA-N 0 3 261.369 1.113 50 0 CDAAHN C[C@@H]1CNC(=O)CCN1Cc1ccc(-c2cc[nH]n2)s1 ZINC000215927205 358910950 /nfs/dbraw/zinc/91/09/50/358910950.db2.gz UCFAMGCBHFZRCQ-SNVBAGLBSA-N 0 3 290.392 1.849 50 0 CDAAHN C[C@H](C1CCN(C)CC1)N(C)C(=O)NC[C@H]1CCCO1 ZINC000095467196 358929325 /nfs/dbraw/zinc/92/93/25/358929325.db2.gz HATHGFYMQLXGHK-TZMCWYRMSA-N 0 3 283.416 1.537 50 0 CDAAHN C[NH+](C)C[C@@H]1CCN(Cc2ccccc2C(=O)[O-])C[C@H]1O ZINC000216490476 358947463 /nfs/dbraw/zinc/94/74/63/358947463.db2.gz DSZXNPYCKVDXBF-DZGCQCFKSA-N 0 3 292.379 1.129 50 0 CDAAHN Cc1noc(C)c1CN(C)C(=O)[C@@H](N)Cc1ccccc1 ZINC000037819152 359453784 /nfs/dbraw/zinc/45/37/84/359453784.db2.gz JKQGHJRFGYOLLD-HNNXBMFYSA-N 0 3 287.363 1.820 50 0 CDAAHN CC(C)c1noc([C@@H]2CCCNCCC(=O)NCC2)n1 ZINC000257185057 359504795 /nfs/dbraw/zinc/50/47/95/359504795.db2.gz VWTXZACZIODTCC-LLVKDONJSA-N 0 3 280.372 1.556 50 0 CDAAHN CC[C@H]1CN(CC)CCN1c1ncnc2c1ncn2CC ZINC000521394699 359966898 /nfs/dbraw/zinc/96/68/98/359966898.db2.gz FJZSMTXZZOSDMH-LBPRGKRZSA-N 0 3 288.399 1.767 50 0 CDAAHN CCO[C@H]1C[C@@](CO)(NCc2cncnc2)C1(C)C ZINC000186578900 364611829 /nfs/dbraw/zinc/61/18/29/364611829.db2.gz WZYBCZLURGCBQJ-JSGCOSHPSA-N 0 3 265.357 1.132 50 0 CDAAHN CCO[C@@H]1C[C@@](CO)(NCc2cncs2)C1(C)C ZINC000186594161 364616139 /nfs/dbraw/zinc/61/61/39/364616139.db2.gz KDAAZVNHBSMXNC-YPMHNXCESA-N 0 3 270.398 1.799 50 0 CDAAHN CCO[C@H]1C[C@@](CO)(NCc2cncs2)C1(C)C ZINC000186594182 364616526 /nfs/dbraw/zinc/61/65/26/364616526.db2.gz KDAAZVNHBSMXNC-AAEUAGOBSA-N 0 3 270.398 1.799 50 0 CDAAHN CN(C)C1(CN(C)C(=O)N[C@H]2CCCOCC2)CCC1 ZINC000187358872 364753327 /nfs/dbraw/zinc/75/33/27/364753327.db2.gz DNMBHQVUZXDNPR-ZDUSSCGKSA-N 0 3 283.416 1.681 50 0 CDAAHN CCOC(=O)CC1C(=O)Nc2nc3ccccc3n21 ZINC000169681470 365044627 /nfs/dbraw/zinc/04/46/27/365044627.db2.gz CDJDNYDEOLOBSC-JTQLQIEISA-N 0 3 259.265 1.483 50 0 CDAAHN O=C(CN1CCN2CCC[C@H]2C1)NCc1ccccc1 ZINC000239121064 367301447 /nfs/dbraw/zinc/30/14/47/367301447.db2.gz JFMWDCIZWBWCDF-HNNXBMFYSA-N 0 3 273.380 1.083 50 0 CDAAHN O=C(NC[C@]1(O)CCOC1)[C@@H]1CCCCN1C1CCCC1 ZINC000252481729 367565893 /nfs/dbraw/zinc/56/58/93/367565893.db2.gz CRAMCAPGZSYHPZ-GOEBONIOSA-N 0 3 296.411 1.051 50 0 CDAAHN CCOC(=O)C(CCN(CC)CC)C(=O)OCC ZINC000002166419 367544097 /nfs/dbraw/zinc/54/40/97/367544097.db2.gz VUWCENLYPTYEFB-UHFFFAOYSA-N 0 3 259.346 1.461 50 0 CDAAHN COCC1(CNC(=O)NC[C@@H]2CCCN(C)C2)CCC1 ZINC000252485418 367569582 /nfs/dbraw/zinc/56/95/82/367569582.db2.gz GUTSEDCWOBLSMH-ZDUSSCGKSA-N 0 3 283.416 1.444 50 0 CDAAHN O[C@H]1CCN(C2CCN(c3nccs3)CC2)C1 ZINC000575607232 370617569 /nfs/dbraw/zinc/61/75/69/370617569.db2.gz XCCTURGRSCMEET-NSHDSACASA-N 0 3 253.371 1.179 50 0 CDAAHN CC(C)CN1CC[C@@H]([NH+](C)C)[C@@H](CCC(=O)[O-])C1 ZINC000299756067 372745220 /nfs/dbraw/zinc/74/52/20/372745220.db2.gz CHLYDTYFNVMXSU-QWHCGFSZSA-N 0 3 256.390 1.759 50 0 CDAAHN CC(C)C[N@@H+]1CC[C@@H](N(C)C)[C@@H](CCC(=O)[O-])C1 ZINC000299756067 372745226 /nfs/dbraw/zinc/74/52/26/372745226.db2.gz CHLYDTYFNVMXSU-QWHCGFSZSA-N 0 3 256.390 1.759 50 0 CDAAHN CC(C)C[N@H+]1CC[C@@H](N(C)C)[C@@H](CCC(=O)[O-])C1 ZINC000299756067 372745232 /nfs/dbraw/zinc/74/52/32/372745232.db2.gz CHLYDTYFNVMXSU-QWHCGFSZSA-N 0 3 256.390 1.759 50 0 CDAAHN FCCCCCN1CC[C@@H]2OCc3cnnn3[C@H]2C1 ZINC000299764706 372748532 /nfs/dbraw/zinc/74/85/32/372748532.db2.gz CPTFGQKWLLOTHJ-STQMWFEESA-N 0 3 268.336 1.564 50 0 CDAAHN CC(=O)N[C@H]1CCCN(C(=O)C[C@H](N)c2ccccc2)C1 ZINC000037815245 373414675 /nfs/dbraw/zinc/41/46/75/373414675.db2.gz HKIZICYTMVPCSN-GJZGRUSLSA-N 0 3 289.379 1.204 50 0 CDAAHN CC(C)CC(=O)N1CCN(c2cnnc(N(C)C)c2)CC1 ZINC000206723594 374181042 /nfs/dbraw/zinc/18/10/42/374181042.db2.gz JEXRLZMTPGPTQQ-UHFFFAOYSA-N 0 3 291.399 1.237 50 0 CDAAHN CCN(CC)CC(=O)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000012465402 374506074 /nfs/dbraw/zinc/50/60/74/374506074.db2.gz RSSWVYDTQXTSML-INIZCTEOSA-N 0 3 290.407 1.798 50 0 CDAAHN CC(C)[C@H](N)C(=O)N1CCN(Cc2cccc(F)c2)CC1 ZINC000019687710 374773975 /nfs/dbraw/zinc/77/39/75/374773975.db2.gz IOAAZCFZSQHUFQ-HNNXBMFYSA-N 0 3 293.386 1.453 50 0 CDAAHN CN(CCO)C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000002679980 375294022 /nfs/dbraw/zinc/29/40/22/375294022.db2.gz CKZOEHDCGRUFGE-SNVBAGLBSA-N 0 3 294.178 1.657 50 0 CDAAHN CN(C)Cc1ccccc1NC(=O)c1cnn(C)c1 ZINC000031232301 375763734 /nfs/dbraw/zinc/76/37/34/375763734.db2.gz QCZGJBVMQKYDSX-UHFFFAOYSA-N 0 3 258.325 1.734 50 0 CDAAHN CCOCCN1CCN(CCc2ccncc2)C[C@H]1C ZINC000239807506 376017774 /nfs/dbraw/zinc/01/77/74/376017774.db2.gz CSNHOTUWRJFLEF-OAHLLOKOSA-N 0 3 277.412 1.667 50 0 CDAAHN OCC[C@H]1CCCN(CCOC[C@H]2CCCO2)C1 ZINC000245343948 378073234 /nfs/dbraw/zinc/07/32/34/378073234.db2.gz WPTLQIJXXNFCME-ZIAGYGMSSA-N 0 3 257.374 1.276 50 0 CDAAHN COCCN1CCC(c2nc([C@@H]3CCOC3)no2)CC1 ZINC000096180239 256886991 /nfs/dbraw/zinc/88/69/91/256886991.db2.gz HOUPGLRPCQUFJC-GFCCVEGCSA-N 0 3 281.356 1.399 50 0 CDAAHN CN(C)C[C@H]1CSCC[C@]1(O)c1cccc(O)c1 ZINC000000347736 390136786 /nfs/dbraw/zinc/13/67/86/390136786.db2.gz OXSWTJCCCLUDOE-JSGCOSHPSA-N 0 3 267.394 1.895 50 0 CDAAHN CCCCN1C(=O)C2=NNN(c3ccccc3)C2C1=O ZINC000101130061 390659586 /nfs/dbraw/zinc/65/95/86/390659586.db2.gz ZYUWLSVRVBDAIW-NEPJUHHUSA-N 0 3 272.308 1.780 50 0 CDAAHN Cc1n[nH]c(C)c1CNC[C@H](O)c1ccccc1F ZINC000097159480 390800982 /nfs/dbraw/zinc/80/09/82/390800982.db2.gz KXNYUVDQKXXRES-AWEZNQCLSA-N 0 3 263.316 1.989 50 0 CDAAHN CC[C@@H]1CN(CCc2ccncc2)CCN1C[C@H](C)O ZINC000107320832 391222309 /nfs/dbraw/zinc/22/23/09/391222309.db2.gz ZXJBIFXMLOIXHL-GOEBONIOSA-N 0 3 277.412 1.401 50 0 CDAAHN CN(C[C@@H]1CCCN1C)C(=O)Cc1ccsc1 ZINC000421705293 392108583 /nfs/dbraw/zinc/10/85/83/392108583.db2.gz QZABCFARVJMFSA-LBPRGKRZSA-N 0 3 252.383 1.843 50 0 CDAAHN CNC(=O)NC(=O)CCN(C)CCc1ccccc1OC ZINC000096404152 393178290 /nfs/dbraw/zinc/17/82/90/393178290.db2.gz WHCFLDFXYXOMIK-UHFFFAOYSA-N 0 3 293.367 1.015 50 0 CDAAHN CCSC1(CNC(=O)CN(CC)CC)CCOCC1 ZINC000096421762 393185609 /nfs/dbraw/zinc/18/56/09/393185609.db2.gz MAUCXTCXGATKDB-UHFFFAOYSA-N 0 3 288.457 1.747 50 0 CDAAHN Cn1cc(CCCN2CCN(c3ccncc3)CC2)cn1 ZINC000089755627 135060597 /nfs/dbraw/zinc/06/05/97/135060597.db2.gz SZKMYIRRZAXAJL-UHFFFAOYSA-N 0 3 285.395 1.570 50 0 CDAAHN CCOC(=O)N1CCC2(CC1)NCCc1nc[nH]c12 ZINC000065381750 285810575 /nfs/dbraw/zinc/81/05/75/285810575.db2.gz PWOLHKBLRDXCDY-UHFFFAOYSA-N 0 3 264.329 1.003 50 0 CDAAHN CC[C@@H](C)NCC(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000006048333 170172308 /nfs/dbraw/zinc/17/23/08/170172308.db2.gz SIJDIPHWRQHCEW-MRVPVSSYSA-N 0 3 295.408 1.662 50 0 CDAAHN COc1ccccc1/C=C/C(=O)NCCN1CCCC1 ZINC000006200358 170181896 /nfs/dbraw/zinc/18/18/96/170181896.db2.gz PBDNZQOZAPTFLD-CMDGGOBGSA-N 0 3 274.364 1.920 50 0 CDAAHN OCCNC/C=C\c1c(F)c(F)c(F)c(F)c1F ZINC000006191577 170181962 /nfs/dbraw/zinc/18/19/62/170181962.db2.gz BTIJTTWXCDSNPE-UPHRSURJSA-N 0 3 267.197 1.977 50 0 CDAAHN Fc1ccc(F)c(CNCCCN2CCOCC2)c1 ZINC000037233230 173052217 /nfs/dbraw/zinc/05/22/17/173052217.db2.gz JBKJITHRQLMBPO-UHFFFAOYSA-N 0 3 270.323 1.777 50 0 CDAAHN COc1ccccc1C[C@@H](C)N[C@@H]1CCS(=O)(=O)C1 ZINC000037509965 173243394 /nfs/dbraw/zinc/24/33/94/173243394.db2.gz KGYVVSVHOHKTCK-DGCLKSJQSA-N 0 3 283.393 1.403 50 0 CDAAHN Fc1ccc(C2=NN=C(N3CCNCC3)SC2)cc1 ZINC000038478395 174142026 /nfs/dbraw/zinc/14/20/26/174142026.db2.gz QWMYLLLDOYLDHC-UHFFFAOYSA-N 0 3 278.356 1.538 50 0 CDAAHN CN(C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000040477650 174282615 /nfs/dbraw/zinc/28/26/15/174282615.db2.gz DWYVWFMMLZNAEC-UHFFFAOYSA-N 0 3 261.369 1.922 50 0 CDAAHN CN1CCC(N(Cc2ncc[nH]2)Cc2cccnc2)CC1 ZINC000072167210 176331979 /nfs/dbraw/zinc/33/19/79/176331979.db2.gz VOBPWBYPFYBSRB-UHFFFAOYSA-N 0 3 285.395 1.901 50 0 CDAAHN C[C@@H](C(=O)Nc1cccc(F)c1)N1CCNCC1 ZINC000019977571 260115619 /nfs/dbraw/zinc/11/56/19/260115619.db2.gz CRGIBILRUDDOAP-JTQLQIEISA-N 0 3 251.305 1.058 50 0 CDAAHN CN1CCC(OCCCNC(=O)c2ccc[nH]2)CC1 ZINC000218967404 262348268 /nfs/dbraw/zinc/34/82/68/262348268.db2.gz QVVBZMKODJRJPQ-UHFFFAOYSA-N 0 3 265.357 1.245 50 0 CDAAHN CN1CCCCC[C@H]1C(=O)N1CCn2cccc2C1 ZINC000095382048 277042807 /nfs/dbraw/zinc/04/28/07/277042807.db2.gz IFVOCRLMFKDYGK-AWEZNQCLSA-N 0 3 261.369 1.705 50 0 CDAAHN CN1CCN(CC2CCN(c3ncc(F)cn3)CC2)CC1 ZINC000301785746 277104268 /nfs/dbraw/zinc/10/42/68/277104268.db2.gz PIHKSZTXSPSADQ-UHFFFAOYSA-N 0 3 293.390 1.080 50 0 CDAAHN Cc1cccn2c(CN3CCC[C@@H](CC(N)=O)C3)cnc12 ZINC000093808970 289059359 /nfs/dbraw/zinc/05/93/59/289059359.db2.gz OKZAJINDNJYSER-ZDUSSCGKSA-N 0 3 286.379 1.730 50 0 CDAAHN CN(C)C[C@H](O)CNC(=O)c1sccc1Cl ZINC000534577605 328310389 /nfs/dbraw/zinc/31/03/89/328310389.db2.gz FELBRELUWOOATP-SSDOTTSWSA-N 0 3 262.762 1.054 50 0 CDAAHN Cc1ccccc1[C@H](CNC(=O)C1(CO)CC1)N(C)C ZINC000534580350 328311454 /nfs/dbraw/zinc/31/14/54/328311454.db2.gz QQNFDRBLXPXKOJ-AWEZNQCLSA-N 0 3 276.380 1.486 50 0 CDAAHN CN(C)[C@@H]1C[C@H]2C(=O)Nc3c(Cl)cccc3C(=O)N2C1 ZINC000534666213 328345364 /nfs/dbraw/zinc/34/53/64/328345364.db2.gz LLYFYYXQUKBZAH-KCJUWKMLSA-N 0 3 293.754 1.437 50 0 CDAAHN CCc1cnc(C)nc1NCCCN1CCC[C@H](O)C1 ZINC000670446670 482998019 /nfs/dbraw/zinc/99/80/19/482998019.db2.gz NDDNRXRJIYHWRF-AWEZNQCLSA-N 0 3 278.400 1.606 50 0 CDAAHN CNC(=O)C[C@@H]1CCN(CCOc2cccc(OC)c2)C1 ZINC000670449432 483008292 /nfs/dbraw/zinc/00/82/92/483008292.db2.gz GMRUUDGNBJXWIF-ZDUSSCGKSA-N 0 3 292.379 1.532 50 0 CDAAHN CCN1CCN(c2cncc(C(=O)N(C)C)n2)CC1(C)C ZINC000670456927 483036245 /nfs/dbraw/zinc/03/62/45/483036245.db2.gz GRWVCQANTLQNPU-UHFFFAOYSA-N 0 3 291.399 1.099 50 0 CDAAHN CC1CCC(O)(CN2CCN(C[C@@H]3CCOC3)CC2)CC1 ZINC000096455413 528202723 /nfs/dbraw/zinc/20/27/23/528202723.db2.gz JKRHRFXKPCBZML-CGZBRXJRSA-N 0 3 296.455 1.582 50 0 CDAAHN OC[C@H](O)C1CCN(CCCC(F)(F)F)CC1 ZINC001772702001 1159437576 /nfs/dbraw/zinc/43/75/76/1159437576.db2.gz BDAAQZOONSMETH-JTQLQIEISA-N 0 3 255.280 1.394 50 0 CDAAHN Cc1nccc(C[C@@H]2CC[C@H](CN3CCSCC3)O2)n1 ZINC000952854489 910408212 /nfs/dbraw/zinc/40/82/12/910408212.db2.gz CULUMZNNJOVKBI-LSDHHAIUSA-N 0 3 293.436 1.924 50 0 CDAAHN CC(C)[C@@H](CNS(=O)(=O)CC1CCCC1)N(C)C ZINC000820694796 925544673 /nfs/dbraw/zinc/54/46/73/925544673.db2.gz RRUGQEBQKZHHSD-CYBMUJFWSA-N 0 3 276.446 1.682 50 0 CDAAHN Brc1cc2c(ncnc2N2CCNCC2)s1 ZINC000095629775 342476291 /nfs/dbraw/zinc/47/62/91/342476291.db2.gz VFMXNDQBLSNLDL-UHFFFAOYSA-N 0 3 299.197 1.863 50 0 CDAAHN Cn1cncc1CN[C@@H]1CCN(c2ccccc2)C1 ZINC000106475778 230393790 /nfs/dbraw/zinc/39/37/90/230393790.db2.gz WFHVFLRKJQGIIT-CYBMUJFWSA-N 0 3 256.353 1.789 50 0 CDAAHN COc1ccc(CN[C@@H]2CCCC[C@H]2C(N)=O)cc1F ZINC000097375122 342002731 /nfs/dbraw/zinc/00/27/31/342002731.db2.gz WQBBRKGGPPIIHS-DGCLKSJQSA-N 0 3 280.343 1.968 50 0 CDAAHN CCN1CCCC[C@@H]1CNc1cncc(OCCO)n1 ZINC000095941841 185036592 /nfs/dbraw/zinc/03/65/92/185036592.db2.gz ZXCNEROZZQRXKG-GFCCVEGCSA-N 0 3 280.372 1.134 50 0 CDAAHN O=C(CN[C@H]1CCSC1)NCCc1ccccc1 ZINC000095991226 185058247 /nfs/dbraw/zinc/05/82/47/185058247.db2.gz XWRRDMSMPNJXSQ-ZDUSSCGKSA-N 0 3 264.394 1.440 50 0 CDAAHN CC(C)N(C)CC(=O)NC[C@H]1COC2(CCCCCC2)O1 ZINC000095992268 185059217 /nfs/dbraw/zinc/05/92/17/185059217.db2.gz ZBBYFJRPKCXJDK-AWEZNQCLSA-N 0 3 298.427 1.909 50 0 CDAAHN C[C@](O)(CN1CCC[C@@H](Cn2ccnn2)C1)C(F)(F)F ZINC000241587906 361753745 /nfs/dbraw/zinc/75/37/45/361753745.db2.gz OYBLWSZGJUEHQP-MNOVXSKESA-N 0 3 292.305 1.303 50 0 CDAAHN CN1C(=O)CCC12CCN(C[C@H](O)c1ccccc1)CC2 ZINC000244840249 361866684 /nfs/dbraw/zinc/86/66/84/361866684.db2.gz UJRXYALPUJEPNY-HNNXBMFYSA-N 0 3 288.391 1.807 50 0 CDAAHN CSCC[C@@H](C)N(C)C[C@@H]1CCCS(=O)(=O)C1 ZINC000253416406 361936341 /nfs/dbraw/zinc/93/63/41/361936341.db2.gz VAOQNVHZUJWKBJ-NEPJUHHUSA-N 0 3 279.471 1.885 50 0 CDAAHN C[C@@H]([NH3+])CO[N-]C(=O)/C=C/c1c(F)cccc1F ZINC000585136822 342216145 /nfs/dbraw/zinc/21/61/45/342216145.db2.gz UHFYAXUZWYZVNJ-HQZHTGGTSA-N 0 3 256.252 1.373 50 0 CDAAHN CCC[C@H](C)NC(=O)[C@@H]1CCCN(CCOC(C)=O)C1 ZINC000585141409 342219293 /nfs/dbraw/zinc/21/92/93/342219293.db2.gz VLVVWKCIDAIAKJ-GXTWGEPZSA-N 0 3 284.400 1.566 50 0 CDAAHN CNC(=O)C[C@H](C)N(C)Cc1[nH]cc(C)c(=O)c1C ZINC000253536118 362435512 /nfs/dbraw/zinc/43/55/12/362435512.db2.gz AGHZVANZQVGDOD-JTQLQIEISA-N 0 3 265.357 1.360 50 0 CDAAHN Cc1nc2ccccc2c(N2CCN(C(=O)CO)CC2)c1C ZINC000097086034 136521697 /nfs/dbraw/zinc/52/16/97/136521697.db2.gz VZNGPKMMZQQAOC-UHFFFAOYSA-N 0 3 299.374 1.493 50 0 CDAAHN c1cc(-c2nnc(CN[C@@H]3CCSC3)[nH]2)ccn1 ZINC000584886928 349345872 /nfs/dbraw/zinc/34/58/72/349345872.db2.gz OMKUUUWZPNWQLJ-SNVBAGLBSA-N 0 3 261.354 1.462 50 0 CDAAHN CC[C@H]1CN(C(=O)c2ccc(=O)n(C)c2)CCN1C(C)C ZINC000091426456 180151974 /nfs/dbraw/zinc/15/19/74/180151974.db2.gz SKOPAUXXMJBFEW-AWEZNQCLSA-N 0 3 291.395 1.330 50 0 CDAAHN Cc1cc(NCc2nc3cc(F)ccc3[nH]2)nc(N)n1 ZINC000091665154 180221367 /nfs/dbraw/zinc/22/13/67/180221367.db2.gz SOETWXZUCQMWPD-UHFFFAOYSA-N 0 3 272.287 1.995 50 0 CDAAHN CCO[C@@H]1C[C@@H](N[C@H](CO)c2cnn(C)c2)C1(C)C ZINC000108329968 186213154 /nfs/dbraw/zinc/21/31/54/186213154.db2.gz BOAASZMUNPXNTL-JHJVBQTASA-N 0 3 267.373 1.247 50 0 CDAAHN Cc1n[nH]cc1CNC1CCN(c2ncccn2)CC1 ZINC000036932506 363294453 /nfs/dbraw/zinc/29/44/53/363294453.db2.gz FORCPYFGEBIPNC-UHFFFAOYSA-N 0 3 272.356 1.267 50 0 CDAAHN C[C@@H](O)CN(Cc1cccc(Cl)c1)C[C@H](C)O ZINC000000042121 355881100 /nfs/dbraw/zinc/88/11/00/355881100.db2.gz FRGASYAUZXLUDE-PHIMTYICSA-N 0 3 257.761 1.904 50 0 CDAAHN CN(C)C[C@]1(O)CCCN(Cc2cccc(F)c2F)C1=O ZINC000012588776 356310061 /nfs/dbraw/zinc/31/00/61/356310061.db2.gz YOOXFCFUFPEXRA-OAHLLOKOSA-N 0 3 298.333 1.380 50 0 CDAAHN C[C@H]1CN(c2ccc(S(C)(=O)=O)cc2F)CCN1 ZINC000015443657 356416374 /nfs/dbraw/zinc/41/63/74/356416374.db2.gz GIUNKEHKYNKZGE-VIFPVBQESA-N 0 3 272.345 1.027 50 0 CDAAHN COc1ccc(C(=O)NCCN2CCCCC2)cc1OC ZINC000016604053 356443020 /nfs/dbraw/zinc/44/30/20/356443020.db2.gz NYGDFGJGRWZDMC-UHFFFAOYSA-N 0 3 292.379 1.920 50 0 CDAAHN CC(C)CCN1CCN(Cc2ccccn2)C[C@@H]1CCO ZINC000019227840 356477971 /nfs/dbraw/zinc/47/79/71/356477971.db2.gz RHZFGOSSOSMYKS-KRWDZBQOSA-N 0 3 291.439 1.996 50 0 CDAAHN COc1ccc(CN2CCC[C@@H](CO)C2)c(OC)c1 ZINC000023114817 356628930 /nfs/dbraw/zinc/62/89/30/356628930.db2.gz MRJUCIYRLPENPS-GFCCVEGCSA-N 0 3 265.353 1.908 50 0 CDAAHN Cc1cc(CN2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)on1 ZINC000328954273 202126899 /nfs/dbraw/zinc/12/68/99/202126899.db2.gz IKTWEQWPPUGCLC-RRFJBIMHSA-N 0 3 280.368 1.735 50 0 CDAAHN CCN1CCC(N(C)c2ncnc3c2cnn3C)CC1 ZINC000025493907 356676370 /nfs/dbraw/zinc/67/63/70/356676370.db2.gz FPACFYFADVJICG-UHFFFAOYSA-N 0 3 274.372 1.284 50 0 CDAAHN CC(C)(C)OC(=O)N[C@@H](CN)C(=O)OC(C)(C)C ZINC000034456714 356814995 /nfs/dbraw/zinc/81/49/95/356814995.db2.gz OLMUCDWKBWSQKO-QMMMGPOBSA-N 0 3 260.334 1.180 50 0 CDAAHN C[C@H]1CN(CCCCNc2ncc(F)cn2)C[C@H](C)O1 ZINC000269529602 357077782 /nfs/dbraw/zinc/07/77/82/357077782.db2.gz YDTPLFGLKSZJHI-RYUDHWBXSA-N 0 3 282.363 1.917 50 0 CDAAHN C[C@H](NC1CCCC1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000033040234 357326570 /nfs/dbraw/zinc/32/65/70/357326570.db2.gz LKDNLFYXAGAFMK-JTQLQIEISA-N 0 3 275.352 1.645 50 0 CDAAHN CCN1CCN(Cc2n[nH]c(Cc3ccccc3)n2)CC1 ZINC000065434987 357541362 /nfs/dbraw/zinc/54/13/62/357541362.db2.gz KNJBBSNQBXMAEJ-UHFFFAOYSA-N 0 3 285.395 1.533 50 0 CDAAHN O=C(Cc1cccs1)NCCC1=CCCN(CCO)C1 ZINC000065504647 357545683 /nfs/dbraw/zinc/54/56/83/357545683.db2.gz HVUXLYDNJJOAQH-UHFFFAOYSA-N 0 3 294.420 1.421 50 0 CDAAHN CN(C)Cc1ccccc1CNc1ncnc2c1CCNC2 ZINC000067880291 357635160 /nfs/dbraw/zinc/63/51/60/357635160.db2.gz BDCBIRFPOIBLNX-UHFFFAOYSA-N 0 3 297.406 1.796 50 0 CDAAHN CCn1c(CN2CCCC2)nnc1C1CCN(C)CC1 ZINC000082155731 358149604 /nfs/dbraw/zinc/14/96/04/358149604.db2.gz JRFYSKKRPYOAGM-UHFFFAOYSA-N 0 3 277.416 1.703 50 0 CDAAHN CN(C)[C@H]1CCCCN(C(=O)CCc2csc(N)n2)C1 ZINC000082156715 358149721 /nfs/dbraw/zinc/14/97/21/358149721.db2.gz UQXJHMNSAYEPBJ-LBPRGKRZSA-N 0 3 296.440 1.601 50 0 CDAAHN COC(=O)[C@]12CCC[C@H]1CN(Cc1ccncc1)C2 ZINC000097082974 358184235 /nfs/dbraw/zinc/18/42/35/358184235.db2.gz ZHMOWTRATIEDCY-ZFWWWQNUSA-N 0 3 260.337 1.857 50 0 CDAAHN CC(C)[C@H](N)C(=O)N1CCc2c(F)cccc2C1 ZINC000195554857 358557604 /nfs/dbraw/zinc/55/76/04/358557604.db2.gz BWVVYSUMPITXCH-ZDUSSCGKSA-N 0 3 250.317 1.694 50 0 CDAAHN CN(C)CCO[C@@H]1COCC[C@H]1NC(=O)c1ccsc1 ZINC000219049709 359076059 /nfs/dbraw/zinc/07/60/59/359076059.db2.gz TWVVCHJBDAMBJZ-CHWSQXEVSA-N 0 3 298.408 1.214 50 0 CDAAHN C[C@H](N[C@H]1CCCN(c2ccn(C)n2)C1=O)[C@H]1CCCO1 ZINC000248493651 359147729 /nfs/dbraw/zinc/14/77/29/359147729.db2.gz PKDVEXAPQXECKH-RWMBFGLXSA-N 0 3 292.383 1.073 50 0 CDAAHN O=C(c1c[nH]cn1)N1CCCO[C@H](CN2CCCCC2)C1 ZINC000221411881 359246258 /nfs/dbraw/zinc/24/62/58/359246258.db2.gz XUEOLPJHGAMOLS-CYBMUJFWSA-N 0 3 292.383 1.127 50 0 CDAAHN C[C@]1(O)CCOC2(CCN(Cc3ccc[nH]3)CC2)C1 ZINC000257191576 359586468 /nfs/dbraw/zinc/58/64/68/359586468.db2.gz QREMXWRODWSOJT-AWEZNQCLSA-N 0 3 264.369 1.911 50 0 CDAAHN CCC(=O)N(C)CCN(CCN1CCCCC1)C(=O)CC ZINC000408516544 359898904 /nfs/dbraw/zinc/89/89/04/359898904.db2.gz DMLMXYDJLUCQKY-UHFFFAOYSA-N 0 3 297.443 1.579 50 0 CDAAHN CCN(CCN(C)C)C(=O)c1cn2cc(Cl)cnc2n1 ZINC000426442044 360670602 /nfs/dbraw/zinc/67/06/02/360670602.db2.gz VNDNESQOYTUGTA-UHFFFAOYSA-N 0 3 295.774 1.406 50 0 CDAAHN Cc1ccc(C)c(OC[C@@H](O)CN2CCC[C@H](O)C2)c1C ZINC000036264150 361375388 /nfs/dbraw/zinc/37/53/88/361375388.db2.gz SMYHTMOTIUNERN-HOTGVXAUSA-N 0 3 293.407 1.808 50 0 CDAAHN CCO[C@@H]1C[C@](CO)(NCc2cncnc2)C1(C)C ZINC000186578920 364612037 /nfs/dbraw/zinc/61/20/37/364612037.db2.gz WZYBCZLURGCBQJ-TZMCWYRMSA-N 0 3 265.357 1.132 50 0 CDAAHN CCC(=O)N1CC[C@@H](NCc2ccc(CO)o2)[C@H](CC)C1 ZINC000089948955 366977064 /nfs/dbraw/zinc/97/70/64/366977064.db2.gz CSVUMQVHCZBYBH-IUODEOHRSA-N 0 3 294.395 1.899 50 0 CDAAHN OCCOCCNCc1c[nH]nc1-c1ccc(F)cc1 ZINC000012530668 368002477 /nfs/dbraw/zinc/00/24/77/368002477.db2.gz JAACLUOSAIROTN-UHFFFAOYSA-N 0 3 279.315 1.314 50 0 CDAAHN Cc1cc(C(=O)NCC2CCN(CCO)CC2)cc(C)n1 ZINC000299780055 372756564 /nfs/dbraw/zinc/75/65/64/372756564.db2.gz QZOIWNXDEFTAOA-UHFFFAOYSA-N 0 3 291.395 1.133 50 0 CDAAHN CCOC(=O)[C@H](C)OC(=O)c1cccc(CN(C)C)c1 ZINC000253424472 373732967 /nfs/dbraw/zinc/73/29/67/373732967.db2.gz GSCAAFHEXQUOIO-NSHDSACASA-N 0 3 279.336 1.857 50 0 CDAAHN CC[C@H](N)C(=O)N1CC(Oc2ccccc2Cl)C1 ZINC000095466894 374960995 /nfs/dbraw/zinc/96/09/95/374960995.db2.gz IQLBYAGNNWHWAS-NSHDSACASA-N 0 3 268.744 1.667 50 0 CDAAHN CC(C)COCCNC(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000096499716 375107304 /nfs/dbraw/zinc/10/73/04/375107304.db2.gz VQLPYPQRMKTEMR-CABCVRRESA-N 0 3 297.443 1.785 50 0 CDAAHN COCCn1nc(C)c(CNc2cc(C)nc(N)n2)c1C ZINC000097160092 375150927 /nfs/dbraw/zinc/15/09/27/375150927.db2.gz SSBZYKVVERTXDW-UHFFFAOYSA-N 0 3 290.371 1.439 50 0 CDAAHN COCCN1CCC[C@H](CNC(=O)C2(COC)CCC2)C1 ZINC000670440554 542011316 /nfs/dbraw/zinc/01/13/16/542011316.db2.gz FBQWFSLYKFWUQY-CQSZACIVSA-N 0 3 298.427 1.278 50 0 CDAAHN Nc1ncccc1CN1CCC[C@@H](c2cc[nH]n2)C1 ZINC000067847265 377260140 /nfs/dbraw/zinc/26/01/40/377260140.db2.gz ZQJKHTPYRIDMFA-LLVKDONJSA-N 0 3 257.341 1.767 50 0 CDAAHN Cc1nnnn1-c1ccc(O[C@@]23CCN(C2)CCC3)cc1 ZINC000067921942 377311593 /nfs/dbraw/zinc/31/15/93/377311593.db2.gz YQZASPOXVKCMTG-HNNXBMFYSA-N 0 3 285.351 1.588 50 0 CDAAHN CN1CCCN(C(=O)CCc2nc3ccccc3o2)CC1 ZINC000032716519 377360257 /nfs/dbraw/zinc/36/02/57/377360257.db2.gz RYTOPZGSTCVRLK-UHFFFAOYSA-N 0 3 287.363 1.925 50 0 CDAAHN O=S(=O)(c1ccc(N2CCNCC2)cc1)C(F)(F)F ZINC000035355016 285047536 /nfs/dbraw/zinc/04/75/36/285047536.db2.gz ANLJCXQUPUPXST-UHFFFAOYSA-N 0 3 294.298 1.390 50 0 CDAAHN CN(C)CCN1C(=O)[C@@H]2CC=C(Cl)C[C@@H]2C1=O ZINC000100709709 390402588 /nfs/dbraw/zinc/40/25/88/390402588.db2.gz ZDJWLMQGBPGACF-ZJUUUORDSA-N 0 3 256.733 1.066 50 0 CDAAHN CSCC[C@@H](C)NC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000101388699 397791791 /nfs/dbraw/zinc/79/17/91/397791791.db2.gz MKBPMRSHANKTJG-CHWSQXEVSA-N 0 3 283.441 1.784 50 0 CDAAHN CN(C)CCCNC(=O)C(=O)c1c[nH]c2ccccc12 ZINC000003156104 169861678 /nfs/dbraw/zinc/86/16/78/169861678.db2.gz MELQGBGCVOYTAL-UHFFFAOYSA-N 0 3 273.336 1.419 50 0 CDAAHN COc1ccccc1CNCCSc1nnnn1C ZINC000004998021 170052415 /nfs/dbraw/zinc/05/24/15/170052415.db2.gz FJMUWNFUOPGEEW-UHFFFAOYSA-N 0 3 279.369 1.101 50 0 CDAAHN C[NH+](C)CCCNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000005349862 170088798 /nfs/dbraw/zinc/08/87/98/170088798.db2.gz VYMMNYJALCBXIT-UHFFFAOYSA-N 0 3 273.336 1.622 50 0 CDAAHN COCCN1CCN(C[C@@H](C)c2ccccc2)CCC1=O ZINC000012280094 170474827 /nfs/dbraw/zinc/47/48/27/170474827.db2.gz HSFCPCMBNKCBRH-OAHLLOKOSA-N 0 3 290.407 1.971 50 0 CDAAHN Cc1nc(C(=O)NCCCN2CCC[C@@H](CO)C2)cs1 ZINC000020232514 171094414 /nfs/dbraw/zinc/09/44/14/171094414.db2.gz QCMFRIMIEWEPNT-GFCCVEGCSA-N 0 3 297.424 1.276 50 0 CDAAHN CCc1ccc(CN2CCc3nncn3CC2)cc1 ZINC000020996285 171284414 /nfs/dbraw/zinc/28/44/14/171284414.db2.gz IDTBRQGXHWMTSO-UHFFFAOYSA-N 0 3 256.353 1.899 50 0 CDAAHN COC(=O)C(=C/C(C)=C/N1CCCCC1)C(=O)OC ZINC000022108106 171353110 /nfs/dbraw/zinc/35/31/10/171353110.db2.gz VXGDHTTTZUPODD-ZHACJKMWSA-N 0 3 267.325 1.649 50 0 CDAAHN CN(C)CCCNc1nc2ccccc2c(=O)n1C ZINC000071280726 176108605 /nfs/dbraw/zinc/10/86/05/176108605.db2.gz MYEBTBVJVLTUCT-UHFFFAOYSA-N 0 3 260.341 1.297 50 0 CDAAHN Cn1cnnc1CN[C@@H](CCO)C1CCCCC1 ZINC000097138158 424631051 /nfs/dbraw/zinc/63/10/51/424631051.db2.gz NVGHBEIVILTNMJ-LBPRGKRZSA-N 0 3 252.362 1.236 50 0 CDAAHN CN1CCN(C(=O)c2coc3ccccc23)[C@H](CN)C1 ZINC000097227699 276923819 /nfs/dbraw/zinc/92/38/19/276923819.db2.gz GVZQQXPVRFDBCN-LLVKDONJSA-N 0 3 273.336 1.148 50 0 CDAAHN CN1CCN(C[C@@H]2CCOc3ccccc3C2)CCC1=O ZINC000095498842 277107849 /nfs/dbraw/zinc/10/78/49/277107849.db2.gz GIPFSWUCSLIBKB-CQSZACIVSA-N 0 3 288.391 1.792 50 0 CDAAHN C[C@@H](CNC(=O)N1CCCC1)N1CCC[C@@H](C)C1 ZINC000079267673 278270970 /nfs/dbraw/zinc/27/09/70/278270970.db2.gz KFQPFGNDVRAERH-OLZOCXBDSA-N 0 3 253.390 1.912 50 0 CDAAHN Cc1cc(C(=O)N2CCCN(CC3CC3)CC2)nn1C ZINC000072252844 280325495 /nfs/dbraw/zinc/32/54/95/280325495.db2.gz GMPIHHGVLFMMSH-UHFFFAOYSA-N 0 3 276.384 1.286 50 0 CDAAHN Cc1ccc2nc([C@@H]3CCCN([C@@H]4CCNC4=O)C3)[nH]c2c1 ZINC000097032965 281162773 /nfs/dbraw/zinc/16/27/73/281162773.db2.gz BGRAIOFQXOHUIS-IUODEOHRSA-N 0 3 298.390 1.939 50 0 CDAAHN CC[C@H](CN(C)C)NC(=O)N1CC(Oc2ccccc2)C1 ZINC000534588400 328316604 /nfs/dbraw/zinc/31/66/04/328316604.db2.gz OBTLGJCKRGYYCW-CYBMUJFWSA-N 0 3 291.395 1.799 50 0 CDAAHN Cc1cccc([C@H](CNC(=O)c2cn[nH]c2)N(C)C)c1 ZINC000534592239 328318576 /nfs/dbraw/zinc/31/85/76/328318576.db2.gz NODQIWFJVFTYOI-AWEZNQCLSA-N 0 3 272.352 1.751 50 0 CDAAHN Cc1c[nH]c(CN(C)C(=O)N[C@H](C)CN2CCCC2)n1 ZINC000534675423 328356187 /nfs/dbraw/zinc/35/61/87/328356187.db2.gz HCVBCFBXJWTBKY-GFCCVEGCSA-N 0 3 279.388 1.344 50 0 CDAAHN CC1(C)C[C@H](NCC(=O)Nc2ccncc2)C(C)(C)O1 ZINC000119675623 323208640 /nfs/dbraw/zinc/20/86/40/323208640.db2.gz WSDBPGPVBSLZII-LBPRGKRZSA-N 0 3 277.368 1.956 50 0 CDAAHN CC1(C)C[C@H](O)CCN(CCN2CCCC2=O)C1 ZINC000670450492 483008979 /nfs/dbraw/zinc/00/89/79/483008979.db2.gz SGPQNDRGTWBKLA-GFCCVEGCSA-N 0 3 254.374 1.092 50 0 CDAAHN Cc1c[nH]c([C@@H](C)NC(=O)CN(C)C2CCCC2)n1 ZINC000822182675 1161927077 /nfs/dbraw/zinc/92/70/77/1161927077.db2.gz FCUJRDFRTKRWIG-LLVKDONJSA-N 0 3 264.373 1.770 50 0 CDAAHN CCc1ccc(CNCCN2CCC[C@@H](CO)C2)nc1 ZINC000952970992 615673970 /nfs/dbraw/zinc/67/39/70/615673970.db2.gz QZEARQXICOZDAB-OAHLLOKOSA-N 0 3 277.412 1.438 50 0 CDAAHN Cc1nn(C)c(C)c1[C@@H](C)Nc1cc(C)nc(N)n1 ZINC000032534904 843873580 /nfs/dbraw/zinc/87/35/80/843873580.db2.gz VWGCZCOLSSOABY-MRVPVSSYSA-N 0 3 260.345 1.891 50 0 CDAAHN CC[C@@H](C(=O)NCc1cncn1CC)N(C)CC ZINC000823061367 925667788 /nfs/dbraw/zinc/66/77/88/925667788.db2.gz RQMUVSAJBYRIFJ-LBPRGKRZSA-N 0 3 252.362 1.250 50 0 CDAAHN CCN(Cc1cc(=O)[nH]c(C)n1)C[C@@H]1CCCCO1 ZINC001529150917 968994122 /nfs/dbraw/zinc/99/41/22/968994122.db2.gz BCCLJULMCBYYRY-ZDUSSCGKSA-N 0 3 265.357 1.882 50 0 CDAAHN Cc1nc(CN(C)CC[N@H+](C)C2CCCC2)cc(=O)[n-]1 ZINC001529186357 969007748 /nfs/dbraw/zinc/00/77/48/969007748.db2.gz XOYBIEHEVNXUNQ-UHFFFAOYSA-N 0 3 278.400 1.797 50 0 CDAAHN Cc1nc(CN(C)CC[N@@H+](C)C2CCCC2)cc(=O)[n-]1 ZINC001529186357 969007758 /nfs/dbraw/zinc/00/77/58/969007758.db2.gz XOYBIEHEVNXUNQ-UHFFFAOYSA-N 0 3 278.400 1.797 50 0 CDAAHN CCn1cncc1CNC1CSCCSC1 ZINC001506404387 975151773 /nfs/dbraw/zinc/15/17/73/975151773.db2.gz XMAPUMZBQGGGHG-UHFFFAOYSA-N 0 3 257.428 1.841 50 0 CDAAHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1C[C@@H]2CCC[C@H]2C1 ZINC000084137087 539086192 /nfs/dbraw/zinc/08/61/92/539086192.db2.gz PBLKBKWJSOBAIQ-BYNSBNAKSA-N 0 3 293.411 1.291 50 0 CDAAHN COc1ccc(CN2C[C@@H](C(N)=O)CC[C@H]2C)c(OC)c1 ZINC000095982664 185053863 /nfs/dbraw/zinc/05/38/63/185053863.db2.gz DBPIUQSOSNEJGU-YPMHNXCESA-N 0 3 292.379 1.790 50 0 CDAAHN Cc1cc(CCN[C@H](C)CS(C)(=O)=O)cc(C)c1O ZINC000194843387 342607880 /nfs/dbraw/zinc/60/78/80/342607880.db2.gz YIAXVBOEOFONSK-GFCCVEGCSA-N 0 3 285.409 1.574 50 0 CDAAHN COc1cc(CN2CCC[C@@H](CO)C2)ccc1O ZINC000023115116 342089037 /nfs/dbraw/zinc/08/90/37/342089037.db2.gz NZFPAOIVNXCIEP-GFCCVEGCSA-N 0 3 251.326 1.605 50 0 CDAAHN Cc1ncccc1CN[C@@H]1CCCCC[C@@H]1C(N)=O ZINC000195562095 342628599 /nfs/dbraw/zinc/62/85/99/342628599.db2.gz OHKSSBGAJCFZEK-UONOGXRCSA-N 0 3 261.369 1.914 50 0 CDAAHN Cc1ccc([C@H](CNC(=O)c2cncnc2)N(C)C)cc1 ZINC000273882001 192347294 /nfs/dbraw/zinc/34/72/94/192347294.db2.gz XPQQYZZKDIMBKA-HNNXBMFYSA-N 0 3 284.363 1.818 50 0 CDAAHN CC(C)(C)CNCc1ccc(S(N)(=O)=O)s1 ZINC000585118249 362048084 /nfs/dbraw/zinc/04/80/84/362048084.db2.gz IDEXOFREMGQRIU-UHFFFAOYSA-N 0 3 262.400 1.531 50 0 CDAAHN Fc1c(F)c(F)c(N2CCNCC2)c(F)c1F ZINC000003441670 282958092 /nfs/dbraw/zinc/95/80/92/282958092.db2.gz IXHIQLUASOVALJ-UHFFFAOYSA-N 0 3 252.186 1.792 50 0 CDAAHN CS(=O)(=O)NCC1CCN(Cc2ccccc2)CC1 ZINC000015080569 362348599 /nfs/dbraw/zinc/34/85/99/362348599.db2.gz CVWHKURTSWYRJJ-UHFFFAOYSA-N 0 3 282.409 1.448 50 0 CDAAHN c1ccc(N2CCN(CCN3CCSCC3)CC2)cc1 ZINC000252481546 362385848 /nfs/dbraw/zinc/38/58/48/362385848.db2.gz CNVKOVSXZNGXQZ-UHFFFAOYSA-N 0 3 291.464 1.857 50 0 CDAAHN CCc1nc(CCNC(=O)CN2[C@H](C)CCC[C@@H]2C)no1 ZINC000252488223 362386834 /nfs/dbraw/zinc/38/68/34/362386834.db2.gz INVCYTHCPHMBOI-TXEJJXNPSA-N 0 3 294.399 1.554 50 0 CDAAHN Nc1cc(CC[C@@H]2COc3ccccc3O2)nc(N)n1 ZINC000252504233 362389910 /nfs/dbraw/zinc/38/99/10/362389910.db2.gz VIOGSCNRWRLFAP-SNVBAGLBSA-N 0 3 272.308 1.414 50 0 CDAAHN CSCC1CCN(CCn2c(=O)cc(C)[nH]c2=O)CC1 ZINC000253537027 362435005 /nfs/dbraw/zinc/43/50/05/362435005.db2.gz UFZYDCQDGGXBQV-UHFFFAOYSA-N 0 3 297.424 1.332 50 0 CDAAHN O=C1NCCCC[C@@H]1NCc1ccc2c(c1)OCCO2 ZINC000084459192 178890641 /nfs/dbraw/zinc/89/06/41/178890641.db2.gz LIYWJZLMMXEKJM-LBPRGKRZSA-N 0 3 276.336 1.216 50 0 CDAAHN O[C@H](CN1CCN(Cc2ccc(F)cc2)CC1)C1CC1 ZINC000085436860 179062703 /nfs/dbraw/zinc/06/27/03/179062703.db2.gz RSFNQDKSLZYCNO-MRXNPFEDSA-N 0 3 278.371 1.714 50 0 CDAAHN COCCN1CCC(NC(=O)c2ccc(F)c(F)c2)CC1 ZINC000085467930 179073637 /nfs/dbraw/zinc/07/36/37/179073637.db2.gz GNESRRBUVLNSKT-UHFFFAOYSA-N 0 3 298.333 1.805 50 0 CDAAHN C[C@@H](CN(C)CCO)NCc1cnc2ccccc2c1 ZINC000584888932 349347105 /nfs/dbraw/zinc/34/71/05/349347105.db2.gz HCJWPRSNEMGYMV-ZDUSSCGKSA-N 0 3 273.380 1.637 50 0 CDAAHN Cc1nn(C)c2ncc(CN[C@@H]3CCCC[C@H]3O)cc12 ZINC000107912619 186197305 /nfs/dbraw/zinc/19/73/05/186197305.db2.gz IWDSUVXBPOJQLW-ZIAGYGMSSA-N 0 3 274.368 1.670 50 0 CDAAHN OCC(CO)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000065431799 363266581 /nfs/dbraw/zinc/26/65/81/363266581.db2.gz DLTMOTABDDSMPY-NSHDSACASA-N 0 3 276.336 1.360 50 0 CDAAHN COc1cccc(CNCCSc2nnnn2C)c1 ZINC000002181774 355962612 /nfs/dbraw/zinc/96/26/12/355962612.db2.gz SMTXHKNNIPKXJY-UHFFFAOYSA-N 0 3 279.369 1.101 50 0 CDAAHN Cc1cc(C)n(CC(=O)NCCN2C[C@@H](C)C[C@H](C)C2)n1 ZINC000019573477 356492307 /nfs/dbraw/zinc/49/23/07/356492307.db2.gz JYOLWFUPXOQWIG-STQMWFEESA-N 0 3 292.427 1.594 50 0 CDAAHN CCNC(=O)C(C)(C)CNC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000095431071 357446563 /nfs/dbraw/zinc/44/65/63/357446563.db2.gz ZILVRDFXAZGRLD-AVGNSLFASA-N 0 3 297.443 1.526 50 0 CDAAHN Cc1ccc([C@@H](C)NC(=O)CNCC(C)(C)CO)cc1 ZINC000065461167 357543622 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/nfs/dbraw/zinc/70/92/61/358709261.db2.gz GAJSZKZAFXJKGX-NSHDSACASA-N 0 3 251.330 1.602 50 0 CDAAHN Cc1ncc(CN2CC[C@@](O)(c3ccccc3)C2)n1C ZINC000097527320 358782650 /nfs/dbraw/zinc/78/26/50/358782650.db2.gz NAUVFAMBLDGFAW-INIZCTEOSA-N 0 3 271.364 1.822 50 0 CDAAHN CCc1nccc(CN2CC[C@]3(C2)CCCN(C)C3=O)n1 ZINC000215122158 358875389 /nfs/dbraw/zinc/87/53/89/358875389.db2.gz ISMPCNCAZUVLJG-INIZCTEOSA-N 0 3 288.395 1.483 50 0 CDAAHN C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCCCCC1 ZINC000008119233 359097223 /nfs/dbraw/zinc/09/72/23/359097223.db2.gz HBGKMQYCARYEOY-NSHDSACASA-N 0 3 269.389 1.875 50 0 CDAAHN CN(C)[C@@H]1CN(C(=O)c2ccc3ncccc3c2)C[C@H]1CO ZINC000257196088 359620682 /nfs/dbraw/zinc/62/06/82/359620682.db2.gz XNSUABRCQMVJRN-GOEBONIOSA-N 0 3 299.374 1.229 50 0 CDAAHN Cc1cc(-c2ccc(C(=O)NCCN(C)C)cc2)cnc1N ZINC000426465123 360673163 /nfs/dbraw/zinc/67/31/63/360673163.db2.gz HKNIETGCDRFKDZ-UHFFFAOYSA-N 0 3 298.390 1.761 50 0 CDAAHN CN(C)C(=O)c1cc(CN)cc(NC(=O)c2ccccn2)c1 ZINC000299779930 200869161 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C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)CCCF ZINC000110682476 392789237 /nfs/dbraw/zinc/78/92/37/392789237.db2.gz OBEDVIDFJCQIIR-XQQFMLRXSA-N 0 3 294.436 1.632 50 0 CDAAHN CN(CC(=O)NCCc1ccc(F)cc1)C[C@@H]1CCOC1 ZINC000494551438 393025094 /nfs/dbraw/zinc/02/50/94/393025094.db2.gz ZBOTZNXEXJTCND-AWEZNQCLSA-N 0 3 294.370 1.453 50 0 CDAAHN C[C@@H]1C[C@@H](C)CN(C(=O)C2(N)Cc3ccccc3C2)C1 ZINC000299739821 393198596 /nfs/dbraw/zinc/19/85/96/393198596.db2.gz RPBAFNCNHKYSSK-CHWSQXEVSA-N 0 3 272.392 1.987 50 0 CDAAHN CCN1CCN(C[C@H](C)CNc2ncccc2F)CC1 ZINC000195575069 393304733 /nfs/dbraw/zinc/30/47/33/393304733.db2.gz UWDCFJHZBQYYHU-CYBMUJFWSA-N 0 3 280.391 1.906 50 0 CDAAHN CN(C)CCNC(=O)Cn1nc(C(F)F)cc1C1CC1 ZINC000004124608 169935808 /nfs/dbraw/zinc/93/58/08/169935808.db2.gz ZBOGXKHLZDTILF-UHFFFAOYSA-N 0 3 286.326 1.376 50 0 CDAAHN CCN1CCN(C[C@H](O)CO[C@H]2CCC[C@@H]2C)CC1 ZINC000020707542 171269907 /nfs/dbraw/zinc/26/99/07/171269907.db2.gz HOQJEEHSQKXMCX-KKUMJFAQSA-N 0 3 270.417 1.190 50 0 CDAAHN 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/nfs/dbraw/zinc/16/11/71/374161171.db2.gz BZPFFNAHPRWJCJ-LLVKDONJSA-N 0 3 265.309 1.251 50 0 CDAAHN Cc1ccccc1OCCN(C)C(=O)[C@@]1(F)CCNC1 ZINC000299740202 375201890 /nfs/dbraw/zinc/20/18/90/375201890.db2.gz WWUJLJYYJHPAPV-OAHLLOKOSA-N 0 3 280.343 1.534 50 0 CDAAHN CCN1CCCC[C@H]1CNC(=O)NC[C@H]1CCCO1 ZINC000239761001 376017425 /nfs/dbraw/zinc/01/74/25/376017425.db2.gz CJDVBKBIKBYHGV-QWHCGFSZSA-N 0 3 269.389 1.339 50 0 CDAAHN CCOCCN1CCN(C[C@H](O)c2ccccc2)C[C@H]1C ZINC000242389444 376021409 /nfs/dbraw/zinc/02/14/09/376021409.db2.gz ZXGPTXPFXNQJJI-WBVHZDCISA-N 0 3 292.423 1.763 50 0 CDAAHN CC(C)N1C[C@@H](C)[C@H](NS(=O)(=O)c2ccccc2)C1 ZINC000246946930 377020583 /nfs/dbraw/zinc/02/05/83/377020583.db2.gz KHBKFZCSRPVMAS-TZMCWYRMSA-N 0 3 282.409 1.694 50 0 CDAAHN C[C@@H](NCc1cnn(C)c1)[C@H](O)c1ccc(F)c(F)c1 ZINC000096452787 533467266 /nfs/dbraw/zinc/46/72/66/533467266.db2.gz UGYCVKWRRINOCN-OTYXRUKQSA-N 0 3 281.306 1.910 50 0 CDAAHN N[C@@H](CO)c1nc2ccc(Br)cc2[nH]1 ZINC000037441216 392809680 /nfs/dbraw/zinc/80/96/80/392809680.db2.gz MFSOZANVKBGVPQ-LURJTMIESA-N 0 3 256.103 1.318 50 0 CDAAHN O=C(NC[C@H](O)c1ccccc1F)[C@@H]1CCCCN1 ZINC000269099514 132111640 /nfs/dbraw/zinc/11/16/40/132111640.db2.gz QLQQXJQCQMSLLA-STQMWFEESA-N 0 3 266.316 1.117 50 0 CDAAHN O[C@@H](CCN1CCC2(CC1)OCCO2)C(F)(F)F ZINC000005612882 296559589 /nfs/dbraw/zinc/55/95/89/296559589.db2.gz XYIKXAYOMCBCMV-VIFPVBQESA-N 0 3 269.263 1.139 50 0 CDAAHN OCCNCCOc1c(Cl)cccc1Cl ZINC000005024045 170057391 /nfs/dbraw/zinc/05/73/91/170057391.db2.gz JGJNJZROPUMMFY-UHFFFAOYSA-N 0 3 250.125 1.954 50 0 CDAAHN OCCOc1ccc(CNC[C@@H](O)c2ccccc2)cc1 ZINC000013731063 170583140 /nfs/dbraw/zinc/58/31/40/170583140.db2.gz XDJVWIXORPXWLC-QGZVFWFLSA-N 0 3 287.359 1.881 50 0 CDAAHN Cc1nccn1CCNC(=O)c1[nH]nc2c1CCCC2 ZINC000020777181 171272103 /nfs/dbraw/zinc/27/21/03/171272103.db2.gz GGNCTXLGAGGMNV-UHFFFAOYSA-N 0 3 273.340 1.223 50 0 CDAAHN CN(C)[C@@H](CNC(=O)c1ccc(=O)[nH]c1)Cc1ccccc1 ZINC000022682066 171395726 /nfs/dbraw/zinc/39/57/26/171395726.db2.gz HHSCNYKWYLCFRK-OAHLLOKOSA-N 0 3 299.374 1.278 50 0 CDAAHN CCOC(=O)C1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000037485777 173229598 /nfs/dbraw/zinc/22/95/98/173229598.db2.gz XBVUKHLIAZYGGU-OAHLLOKOSA-N 0 3 277.364 1.995 50 0 CDAAHN COCCN1CCC(CNC(=O)NC(C)C)CC1 ZINC000038583087 174148632 /nfs/dbraw/zinc/14/86/32/174148632.db2.gz WJOAFWRNVGYWKJ-UHFFFAOYSA-N 0 3 257.378 1.052 50 0 CDAAHN CN(C)C[C@]1(O)CCN(C(=O)C2(c3ccccc3)CC2)C1 ZINC000072163503 176330418 /nfs/dbraw/zinc/33/04/18/176330418.db2.gz NTEXFHQQTWYWOQ-MRXNPFEDSA-N 0 3 288.391 1.243 50 0 CDAAHN CCC[C@@H](N)C(=O)N1CCOC[C@H]1c1ccccc1 ZINC000376789929 276270794 /nfs/dbraw/zinc/27/07/94/276270794.db2.gz PIGFLTSUJGSXSV-KGLIPLIRSA-N 0 3 262.353 1.714 50 0 CDAAHN CC[C@H](N)C(=O)N1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000253432748 280874322 /nfs/dbraw/zinc/87/43/22/280874322.db2.gz NKALIXWFNBCPJQ-UBHSHLNASA-N 0 3 262.353 1.712 50 0 CDAAHN CCC[C@H](CNC(=O)c1cc([O-])ccc1F)[NH+](C)C ZINC000534653732 328338489 /nfs/dbraw/zinc/33/84/89/328338489.db2.gz QGKRDRUWERNFIX-SNVBAGLBSA-N 0 3 268.332 1.991 50 0 CDAAHN OC[C@H](O)C1CCN(CCOc2ccccc2)CC1 ZINC001772708046 1159442271 /nfs/dbraw/zinc/44/22/71/1159442271.db2.gz CIIMJOXUZRGORY-HNNXBMFYSA-N 0 3 265.353 1.131 50 0 CDAAHN OC[C@@]1(O)CCCN(Cc2ccccc2C2CC2)C1 ZINC000585087140 482823024 /nfs/dbraw/zinc/82/30/24/482823024.db2.gz JSZRMEWMSXZHDO-MRXNPFEDSA-N 0 3 261.365 1.883 50 0 CDAAHN Cc1cc(C)n(C[C@H](C)NCc2cnc3cnccn23)n1 ZINC000670436369 482975345 /nfs/dbraw/zinc/97/53/45/482975345.db2.gz WORXXNHLBMREKN-LBPRGKRZSA-N 0 3 284.367 1.721 50 0 CDAAHN c1cnn(CCCN2CCC[C@H](c3nnc[nH]3)C2)c1 ZINC000670449845 483010475 /nfs/dbraw/zinc/01/04/75/483010475.db2.gz AJLYTSZEDBDCAV-LBPRGKRZSA-N 0 3 260.345 1.271 50 0 CDAAHN CCN1C[C@H](CN(C)Cc2cnc(N(C)C)s2)CC1=O ZINC000670451542 483012395 /nfs/dbraw/zinc/01/23/95/483012395.db2.gz GNWVUPGNOZMOIF-NSHDSACASA-N 0 3 296.440 1.509 50 0 CDAAHN CC[S@@](=O)[C@H]1CCCC[C@@H]1NCc1ccc(CO)o1 ZINC000083477155 483173812 /nfs/dbraw/zinc/17/38/12/483173812.db2.gz OXGRAOFNVSCIEB-NJSLBKSFSA-N 0 3 285.409 1.941 50 0 CDAAHN O=C(CCNc1ccnc2ccccc21)N1CCOCC1 ZINC000110127044 483422385 /nfs/dbraw/zinc/42/23/85/483422385.db2.gz FMKKLZCUQHHCAB-UHFFFAOYSA-N 0 3 285.347 1.896 50 0 CDAAHN CC[C@@H](C(=O)N(C)Cc1cscn1)N(C)CC ZINC000822541676 1161927873 /nfs/dbraw/zinc/92/78/73/1161927873.db2.gz QBIQWZNZYRMEAV-NSHDSACASA-N 0 3 255.387 1.832 50 0 CDAAHN CN1CCC[C@H]1C(=O)N1CCC2(CCCO2)CC1 ZINC000952984097 616209248 /nfs/dbraw/zinc/20/92/48/616209248.db2.gz ZSVVPMKJKFXOIS-LBPRGKRZSA-N 0 3 252.358 1.252 50 0 CDAAHN CNCc1nnc(NCCN2CCc3ccccc3C2)o1 ZINC001772706794 1159441778 /nfs/dbraw/zinc/44/17/78/1159441778.db2.gz MKPNKDIVKOQREV-UHFFFAOYSA-N 0 3 287.367 1.259 50 0 CDAAHN OCc1cc(N2CC[C@@](O)(c3ccccc3)C2)ccn1 ZINC000032511782 912703808 /nfs/dbraw/zinc/70/38/08/912703808.db2.gz GEYCIEPYVHSVGF-INIZCTEOSA-N 0 3 270.332 1.672 50 0 CDAAHN COc1ncccc1CNCCN1CCCC[C@H]1CO ZINC000952992222 910538261 /nfs/dbraw/zinc/53/82/61/910538261.db2.gz YVUNLQGELZYSSW-AWEZNQCLSA-N 0 3 279.384 1.027 50 0 CDAAHN COc1ccccc1Cc1n[nH]c(CNC2CC2)n1 ZINC000824821919 925836879 /nfs/dbraw/zinc/83/68/79/925836879.db2.gz ZTFAYMJJEUDFNF-UHFFFAOYSA-N 0 3 258.325 1.656 50 0 CDAAHN COc1ccccc1Cc1nnc(CNC2CC2)[nH]1 ZINC000824821919 925836883 /nfs/dbraw/zinc/83/68/83/925836883.db2.gz ZTFAYMJJEUDFNF-UHFFFAOYSA-N 0 3 258.325 1.656 50 0 CDAAHN CCCCCOCC(=O)N(CCO)C1CCN(C)CC1 ZINC000585127225 931009350 /nfs/dbraw/zinc/00/93/50/931009350.db2.gz UAVACBKDUBTOAZ-UHFFFAOYSA-N 0 3 286.416 1.108 50 0 CDAAHN COC(=O)[C@H](C)C[C@@H](C)NCc1ccnc(OC)c1 ZINC000095940674 185036583 /nfs/dbraw/zinc/03/65/83/185036583.db2.gz WPIOERJJJLZOLQ-GHMZBOCLSA-N 0 3 266.341 1.768 50 0 CDAAHN C[C@H]1[C@H](NC(=O)c2cc(-c3ccco3)n[nH]2)CCCN1C ZINC000096010243 185064549 /nfs/dbraw/zinc/06/45/49/185064549.db2.gz CMQDWAOFWFXWCP-WDEREUQCSA-N 0 3 288.351 1.882 50 0 CDAAHN CCNC(=O)CCN(C)Cc1ccc2nsnc2c1 ZINC000244882762 361868008 /nfs/dbraw/zinc/86/80/08/361868008.db2.gz XYNBDTSSHYHZPT-UHFFFAOYSA-N 0 3 278.381 1.649 50 0 CDAAHN CCCC[C@@H](N)C(=O)N(C)Cc1ncc(Cl)n1C ZINC000097234157 342205403 /nfs/dbraw/zinc/20/54/03/342205403.db2.gz UGPBNMPSDRKWJC-SECBINFHSA-N 0 3 272.780 1.549 50 0 CDAAHN C[C@H]1CNCCN1C(=O)c1ccc(Cn2ccnc2)cc1 ZINC000125729893 187197618 /nfs/dbraw/zinc/19/76/18/187197618.db2.gz DQEMJJVUSSPVBP-ZDUSSCGKSA-N 0 3 284.363 1.365 50 0 CDAAHN CC[C@@H](C)CN(C)[C@@H]1CCN(CCC(=O)OC)C1=O ZINC000585094196 362021321 /nfs/dbraw/zinc/02/13/21/362021321.db2.gz OEPYSUCRPIPTGG-VXGBXAGGSA-N 0 3 270.373 1.128 50 0 CDAAHN CC(C)CNC(=O)NC(=O)[C@H](C)SCCN(C)C ZINC000084544319 362266428 /nfs/dbraw/zinc/26/64/28/362266428.db2.gz GHUSLGAGGUYVTB-JTQLQIEISA-N 0 3 275.418 1.152 50 0 CDAAHN C[C@@H]1CN(CCCCNC(=O)c2ccn[nH]2)C[C@H](C)O1 ZINC000084706186 362273653 /nfs/dbraw/zinc/27/36/53/362273653.db2.gz IVQKBGMYEMEXRC-TXEJJXNPSA-N 0 3 280.372 1.029 50 0 CDAAHN C[C@]1(C2CC2)NC(=O)N(c2cccc(CN)c2)C1=O ZINC000148587382 362456479 /nfs/dbraw/zinc/45/64/79/362456479.db2.gz DQVVWNHMMCAUDD-CQSZACIVSA-N 0 3 259.309 1.370 50 0 CDAAHN C[C@@H]1CN(CCCCNC(=O)[C@@H]2CCCOC2)C[C@H](C)O1 ZINC000085456233 179068138 /nfs/dbraw/zinc/06/81/38/179068138.db2.gz JOEOGIXRYNCBEB-QLFBSQMISA-N 0 3 298.427 1.419 50 0 CDAAHN NC(=O)C1(NCCCc2ccc3c(c2)CCO3)CC1 ZINC000193312755 362909936 /nfs/dbraw/zinc/90/99/36/362909936.db2.gz CWHXQHHFHBPCIX-UHFFFAOYSA-N 0 3 260.337 1.162 50 0 CDAAHN C(c1nnc(C2CCC2)o1)N1CCN2CCC[C@@H]2C1 ZINC000089598032 179826804 /nfs/dbraw/zinc/82/68/04/179826804.db2.gz PNQXGLIKTKDDHI-GFCCVEGCSA-N 0 3 262.357 1.617 50 0 CDAAHN Cc1n[nH]c(C(=O)NC[C@@H]2CCCCN2C)c1Cl ZINC000584885473 349343418 /nfs/dbraw/zinc/34/34/18/349343418.db2.gz UJPKIUDJRPOMBZ-VIFPVBQESA-N 0 3 270.764 1.586 50 0 CDAAHN Cc1c(CNC2CSCCSC2)cnn1C ZINC000584892008 349351165 /nfs/dbraw/zinc/35/11/65/349351165.db2.gz MTNHKWMGHDMERU-UHFFFAOYSA-N 0 3 257.428 1.667 50 0 CDAAHN O=C(CCC(F)(F)F)N1C[C@H](O)[C@@H](N2CCCCC2)C1 ZINC000584897808 349358833 /nfs/dbraw/zinc/35/88/33/349358833.db2.gz JJZHSBMZTSLEBG-QWRGUYRKSA-N 0 3 294.317 1.387 50 0 CDAAHN CCCN1CCCN(C(=O)c2cccc3ccnn32)CC1 ZINC000584895742 349356027 /nfs/dbraw/zinc/35/60/27/349356027.db2.gz YYIMIJWCNUKQGQ-UHFFFAOYSA-N 0 3 286.379 1.892 50 0 CDAAHN Cc1ncnc(NCCN2CCC[C@H](CO)C2)c1C ZINC000091657060 180218038 /nfs/dbraw/zinc/21/80/38/180218038.db2.gz LKKXTIFACNRFFM-ZDUSSCGKSA-N 0 3 264.373 1.210 50 0 CDAAHN Cc1nc(N)cc(NCCCNc2cccnc2)n1 ZINC000091933251 180288543 /nfs/dbraw/zinc/28/85/43/180288543.db2.gz JZBJIRCABIQRDU-UHFFFAOYSA-N 0 3 258.329 1.676 50 0 CDAAHN CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1cnccn1 ZINC000257365753 350963709 /nfs/dbraw/zinc/96/37/09/350963709.db2.gz KJJVADXBLICJNG-QWHCGFSZSA-N 0 3 260.341 1.175 50 0 CDAAHN Cc1n[nH]cc1CNC[C@@H]1COc2ccccc2O1 ZINC000036901622 363289127 /nfs/dbraw/zinc/28/91/27/363289127.db2.gz USNPUNCVRPXDOR-GFCCVEGCSA-N 0 3 259.309 1.648 50 0 CDAAHN Cc1ccc(F)c(S(=O)(=O)N2CCCNCC2)c1 ZINC000036983621 363311282 /nfs/dbraw/zinc/31/12/82/363311282.db2.gz FJQOGTCWZGJIGK-UHFFFAOYSA-N 0 3 272.345 1.118 50 0 CDAAHN COc1ccc2c3c1O[C@@H]1C[C@H](O)C=C[C@@]31CCN(C)C2 ZINC000000018473 355879792 /nfs/dbraw/zinc/87/97/92/355879792.db2.gz ASUTZQLVASHGKV-MRRJBJDNSA-N 0 3 287.359 1.850 50 0 biogenic CDAAHN O=C(NCCN1CCCC1)c1ccc2c(c1)OCCO2 ZINC000002849634 355984258 /nfs/dbraw/zinc/98/42/58/355984258.db2.gz UJLLFPZPUHUQIO-UHFFFAOYSA-N 0 3 276.336 1.283 50 0 CDAAHN C[C@@H](NCC(=O)Nc1ccc(Cl)cn1)[C@H]1CCCO1 ZINC000097374149 356094615 /nfs/dbraw/zinc/09/46/15/356094615.db2.gz UCKIOGAVCQKVRI-MWLCHTKSSA-N 0 3 283.759 1.831 50 0 CDAAHN C[C@@H](NCC(=O)NCc1ccc(F)cc1)[C@@H]1CCCO1 ZINC000097374121 356094657 /nfs/dbraw/zinc/09/46/57/356094657.db2.gz NNPSNGLPANITQW-RISCZKNCSA-N 0 3 280.343 1.599 50 0 CDAAHN CCN1CCC2(CC1)OCCN2C(=O)c1snnc1C ZINC000013736255 356355673 /nfs/dbraw/zinc/35/56/73/356355673.db2.gz PLXLLLURZBNGRY-UHFFFAOYSA-N 0 3 296.396 1.131 50 0 CDAAHN CCN1CCC(NC(=O)c2cccc(OC)c2OC)CC1 ZINC000016603813 356442978 /nfs/dbraw/zinc/44/29/78/356442978.db2.gz BVVVRTIZOHCKJM-UHFFFAOYSA-N 0 3 292.379 1.918 50 0 CDAAHN COc1ccc(C(=O)NC2CCN(C)CC2)cc1OC ZINC000016605859 356443065 /nfs/dbraw/zinc/44/30/65/356443065.db2.gz OSJKAVDCFNRVIX-UHFFFAOYSA-N 0 3 278.352 1.528 50 0 CDAAHN CCOc1cc(CN2CCC(C(N)=O)CC2)ccc1OC ZINC000023281256 356815680 /nfs/dbraw/zinc/81/56/80/356815680.db2.gz DBIFSTDQMYWGHC-UHFFFAOYSA-N 0 3 292.379 1.791 50 0 CDAAHN [NH3+]C1(C[N-]S(=O)(=O)c2cccs2)CCCCC1 ZINC000036266736 356868170 /nfs/dbraw/zinc/86/81/70/356868170.db2.gz UBEIVCWJMLIKQA-UHFFFAOYSA-N 0 3 274.411 1.688 50 0 CDAAHN CN1CCC2(CCN(S(=O)(=O)c3cccnc3)C2)CC1 ZINC000065394130 357535931 /nfs/dbraw/zinc/53/59/31/357535931.db2.gz UIMKUDVBHCJANL-UHFFFAOYSA-N 0 3 295.408 1.188 50 0 CDAAHN Cc1cc(=O)[n-]c(CC[NH2+][C@@H](C)COc2ccccc2)n1 ZINC000067712996 357620236 /nfs/dbraw/zinc/62/02/36/357620236.db2.gz MJAVKEINTLDLJI-ZDUSSCGKSA-N 0 3 287.363 1.678 50 0 CDAAHN COC(=O)[C@]12CCC[C@@H]1CN(Cc1cnn(C)c1C)C2 ZINC000097082970 357945974 /nfs/dbraw/zinc/94/59/74/357945974.db2.gz HBNPJZPSOGOKLI-HIFRSBDPSA-N 0 3 277.368 1.504 50 0 CDAAHN C[C@H](NCCNS(=O)(=O)c1ccccc1)[C@@H]1CCCO1 ZINC000097108748 357983558 /nfs/dbraw/zinc/98/35/58/357983558.db2.gz LYQBXOXWASLSHF-JSGCOSHPSA-N 0 3 298.408 1.122 50 0 CDAAHN COC(=O)[C@@]12CCC[C@@H]1CN(CC(=O)N1CCCCC1)C2 ZINC000097082975 358184073 /nfs/dbraw/zinc/18/40/73/358184073.db2.gz HYCDTQQMPGYENK-CZUORRHYSA-N 0 3 294.395 1.274 50 0 CDAAHN CC(C)[C@@H](CCO)NCC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000195563989 358565664 /nfs/dbraw/zinc/56/56/64/358565664.db2.gz IXQGBRHOVLBGMG-HZSPNIEDSA-N 0 3 270.417 1.488 50 0 CDAAHN COCCN1CC[C@H](CNc2ncc(C)cn2)C1 ZINC000095356324 358684046 /nfs/dbraw/zinc/68/40/46/358684046.db2.gz UNPULOMBZJLOEA-GFCCVEGCSA-N 0 3 250.346 1.165 50 0 CDAAHN CC(=O)c1cc(CN2CC[C@@](O)(CN(C)C)C2)cs1 ZINC000215527732 358893352 /nfs/dbraw/zinc/89/33/52/358893352.db2.gz XOWYACXFTLVBPG-CQSZACIVSA-N 0 3 282.409 1.449 50 0 CDAAHN CCn1ccnc1CN1CCC(N2CCSCC2)CC1 ZINC000215537316 358894007 /nfs/dbraw/zinc/89/40/07/358894007.db2.gz 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ZINC000067691667 357619344 /nfs/dbraw/zinc/61/93/44/357619344.db2.gz QMIJRFVPDUGVLR-NSHDSACASA-N 0 3 275.352 1.096 50 0 CDAAHN c1cn(CCc2c[nH]cn2)c(-c2cc3n(n2)CCCNC3)n1 ZINC000072436718 357835623 /nfs/dbraw/zinc/83/56/23/357835623.db2.gz GVBDGELTQBZSNC-UHFFFAOYSA-N 0 3 297.366 1.206 50 0 CDAAHN c1cn(Cc2ccncc2)c(-c2cc3n(n2)CCCNC3)n1 ZINC000072475262 357838116 /nfs/dbraw/zinc/83/81/16/357838116.db2.gz OSXAYCSCWHVDCZ-UHFFFAOYSA-N 0 3 294.362 1.683 50 0 CDAAHN CN(C)[C@H]1CCCCN(C(=O)CCc2ccccn2)C1 ZINC000082127737 358148552 /nfs/dbraw/zinc/14/85/52/358148552.db2.gz KHIQWCNEHBLNSE-HNNXBMFYSA-N 0 3 275.396 1.957 50 0 CDAAHN CC(C)C[C@@H](CN(C)C)NC(=O)c1cnn(C)c1 ZINC000097359377 358209200 /nfs/dbraw/zinc/20/92/00/358209200.db2.gz ZKVDNMIQNBGJRQ-LBPRGKRZSA-N 0 3 252.362 1.126 50 0 CDAAHN Cc1cc2cccc(C(=O)N(CCO)CCN(C)C)c2o1 ZINC000097088013 358750239 /nfs/dbraw/zinc/75/02/39/358750239.db2.gz MNZFZQMGKDHCNX-UHFFFAOYSA-N 0 3 290.363 1.737 50 0 CDAAHN O=C([C@@H]1CCCCO1)N1CCN(c2ccncc2)CC1 ZINC000097294880 358765155 /nfs/dbraw/zinc/76/51/55/358765155.db2.gz SRFGMIGHZVUART-AWEZNQCLSA-N 0 3 275.352 1.299 50 0 CDAAHN Cc1nccn1CC1(CNC(=O)[C@@H]2CCCCN2C)CC1 ZINC000097413390 358774379 /nfs/dbraw/zinc/77/43/79/358774379.db2.gz XOCVSAORZYXODT-AWEZNQCLSA-N 0 3 290.411 1.572 50 0 CDAAHN CC[C@H]1Cc2ccccc2CN1CCCC(=O)NC(N)=O ZINC000185802165 358786129 /nfs/dbraw/zinc/78/61/29/358786129.db2.gz FIBJXYJXDUQMDZ-AWEZNQCLSA-N 0 3 289.379 1.798 50 0 CDAAHN Cc1nc(CN2CCCO[C@@H](CN3CCCCC3)C2)c[nH]1 ZINC000215375525 358886539 /nfs/dbraw/zinc/88/65/39/358886539.db2.gz OMCIKQHISSAVRH-INIZCTEOSA-N 0 3 292.427 1.795 50 0 CDAAHN CNC(=O)C[C@@H](C)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000215463504 358890155 /nfs/dbraw/zinc/89/01/55/358890155.db2.gz IKHRIKBICYKFCR-SNVBAGLBSA-N 0 3 266.389 1.664 50 0 CDAAHN O=C(CNC1CC1)N[C@@H](c1cccnc1)C(F)(F)F ZINC000215679573 358898688 /nfs/dbraw/zinc/89/86/88/358898688.db2.gz ZDDLZUPEXUZXMW-NSHDSACASA-N 0 3 273.258 1.553 50 0 CDAAHN CN(C)[C@@H]1C[C@@H](CO)N(Cc2ccncc2Cl)C1 ZINC000215684115 358899008 /nfs/dbraw/zinc/89/90/08/358899008.db2.gz KFYAIQQOSRTUMD-NEPJUHHUSA-N 0 3 269.776 1.232 50 0 CDAAHN CCOC(=O)[C@@H]1C[C@H]2C(=O)NCCCCCCN[C@H]2C1 ZINC000257182580 359457069 /nfs/dbraw/zinc/45/70/69/359457069.db2.gz PQLRIMAJLGCXIT-UPJWGTAASA-N 0 3 282.384 1.224 50 0 CDAAHN O=C1C[C@@H](CN2CCC(C(F)(F)F)CC2)CN1 ZINC000585094218 482828671 /nfs/dbraw/zinc/82/86/71/482828671.db2.gz RRGYYEAPTJSCTG-MRVPVSSYSA-N 0 3 250.264 1.397 50 0 CDAAHN O[C@]1(CN2CCc3cccc(F)c3C2)CCCOC1 ZINC000585094385 482828829 /nfs/dbraw/zinc/82/88/29/482828829.db2.gz VKWIGXBWNFZAHH-HNNXBMFYSA-N 0 3 265.328 1.725 50 0 CDAAHN COCC(=O)N(C)C[C@H]1CCN(Cc2ccc(C)s2)C1 ZINC000408516781 359900119 /nfs/dbraw/zinc/90/01/19/359900119.db2.gz XZAFEOQXGHQUHP-CYBMUJFWSA-N 0 3 296.436 1.983 50 0 CDAAHN CCn1ccnc1CN1CCN(C(C)C)C[C@H]1C ZINC000248011337 360308549 /nfs/dbraw/zinc/30/85/49/360308549.db2.gz RKVFECADAPWVEZ-CYBMUJFWSA-N 0 3 250.390 1.818 50 0 CDAAHN CC(C)COc1cncc(N2CC[C@H](N3CC=CC3)C2)n1 ZINC000101554534 363937284 /nfs/dbraw/zinc/93/72/84/363937284.db2.gz NQQOEJQULZZALJ-AWEZNQCLSA-N 0 3 288.395 1.962 50 0 CDAAHN CCC[C@@H](C(=O)NCCc1c(C)noc1C)N(C)C ZINC000089949415 366978802 /nfs/dbraw/zinc/97/88/02/366978802.db2.gz XGUUTYJLJVOMLB-ZDUSSCGKSA-N 0 3 267.373 1.680 50 0 CDAAHN C[C@@](N)(C(=O)N1CCN(c2ccc(F)cc2)CC1)C1CC1 ZINC000037614277 369353695 /nfs/dbraw/zinc/35/36/95/369353695.db2.gz PJJSYTMGXHKTHH-INIZCTEOSA-N 0 3 291.370 1.602 50 0 CDAAHN COC(=O)[C@@H]1C[C@@H](O)CN1C[C@@H]1C(C)=CCC[C@H]1C ZINC000249056474 284152892 /nfs/dbraw/zinc/15/28/92/284152892.db2.gz GVMYSEUEEJARIT-SYQHCUMBSA-N 0 3 267.369 1.587 50 0 CDAAHN O=C(Nc1ccc2ccccc2c1)N[C@@H]1CNCC[C@H]1O ZINC000299791024 372764814 /nfs/dbraw/zinc/76/48/14/372764814.db2.gz CLYHRRVWWXSBKS-HUUCEWRRSA-N 0 3 285.347 1.684 50 0 CDAAHN Cc1[nH]ncc1CN(C)c1cc([C@@H]2CCOC2)ncn1 ZINC000299777177 372755337 /nfs/dbraw/zinc/75/53/37/372755337.db2.gz PGAUUNTXPLPNNC-LLVKDONJSA-N 0 3 273.340 1.648 50 0 CDAAHN Cc1ccc(C)c(NC(=O)N[C@@H]2CNCC[C@H]2O)c1 ZINC000299797613 372768970 /nfs/dbraw/zinc/76/89/70/372768970.db2.gz NMQWYWLRNYOMIS-CHWSQXEVSA-N 0 3 263.341 1.148 50 0 CDAAHN Cc1c[nH]cc1C(=O)N1CCOC[C@H]1[C@H]1CCCN1C ZINC000520566404 373824185 /nfs/dbraw/zinc/82/41/85/373824185.db2.gz XXVQAFHFSGAGHJ-KGLIPLIRSA-N 0 3 277.368 1.258 50 0 CDAAHN Cn1c(CN[C@H]2CCCC[C@H]2O)nc2ccccc21 ZINC000104313587 374267304 /nfs/dbraw/zinc/26/73/04/374267304.db2.gz OJLPVMGSZNPXDL-GXTWGEPZSA-N 0 3 259.353 1.966 50 0 CDAAHN CN(Cc1cnc(N)s1)C[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000670455267 483031231 /nfs/dbraw/zinc/03/12/31/483031231.db2.gz KHWJGDMEHAJNFR-SNVBAGLBSA-N 0 3 296.440 1.804 50 0 CDAAHN CC(C)CN1CCCN(C(=O)C2CCOCC2)CC1 ZINC000363379869 390392437 /nfs/dbraw/zinc/39/24/37/390392437.db2.gz YPEFTQGHMLRPAE-UHFFFAOYSA-N 0 3 268.401 1.603 50 0 CDAAHN CN1CCN2CCN(Cc3ccc4[nH]ccc4c3)C[C@H]2C1 ZINC000244874258 391681513 /nfs/dbraw/zinc/68/15/13/391681513.db2.gz WXNUPSQUGQXIEI-MRXNPFEDSA-N 0 3 284.407 1.600 50 0 CDAAHN CCC[C@H](C)NC(=O)[C@H]1CCCN(C[C@H]2COCCO2)C1 ZINC000431010249 391706228 /nfs/dbraw/zinc/70/62/28/391706228.db2.gz NFVAZVCQMPNXPU-KKUMJFAQSA-N 0 3 298.427 1.419 50 0 CDAAHN C[C@@H](O)CN1CCN(C/C=C\c2ccccc2)CC1 ZINC000096295234 393174901 /nfs/dbraw/zinc/17/49/01/393174901.db2.gz UGZQUESJJNOEBQ-GTBONMDNSA-N 0 3 260.381 1.698 50 0 CDAAHN C[C@H]1C[C@@H](NCc2ccnc(N(C)C)n2)CN1C1CC1 ZINC000096493541 393188719 /nfs/dbraw/zinc/18/87/19/393188719.db2.gz MWEFLYOLNIMECG-WCQYABFASA-N 0 3 275.400 1.257 50 0 CDAAHN CCc1nc(CN2CCCC[C@@H]2CN2CCOCC2)n[nH]1 ZINC000181724012 148219827 /nfs/dbraw/zinc/21/98/27/148219827.db2.gz ZXFAFOXHJYFHNG-CYBMUJFWSA-N 0 3 293.415 1.054 50 0 CDAAHN CC(C)CCc1noc(CN2CCN3CCC[C@@H]3C2)n1 ZINC000020453411 171208394 /nfs/dbraw/zinc/20/83/94/171208394.db2.gz UEIFNKNYWXDPOE-CYBMUJFWSA-N 0 3 278.400 1.938 50 0 CDAAHN N[C@H](Cc1ccccc1)C(=O)NCc1cccnc1 ZINC000021503063 171306322 /nfs/dbraw/zinc/30/63/22/171306322.db2.gz APQHKTDKDIVIPY-CQSZACIVSA-N 0 3 255.321 1.268 50 0 CDAAHN OC[C@H]1CCN(Cc2ccc3[nH]ccc3c2)C[C@H]1O ZINC000072137291 176322582 /nfs/dbraw/zinc/32/25/82/176322582.db2.gz YHIGVBMIHLXLSA-UKRRQHHQSA-N 0 3 260.337 1.343 50 0 CDAAHN O=C(CN1CCCCCCC1)N1CCCn2cncc2C1 ZINC000072157899 176329251 /nfs/dbraw/zinc/32/92/51/176329251.db2.gz PSZPXZPRGGVMBS-UHFFFAOYSA-N 0 3 290.411 1.882 50 0 CDAAHN CC(C)(C)OC(=O)N1CCC2(CC1)COCCN2 ZINC000091296933 278383384 /nfs/dbraw/zinc/38/33/84/278383384.db2.gz JDCXGSPMQUVCTJ-UHFFFAOYSA-N 0 3 256.346 1.376 50 0 CDAAHN Cc1[nH]ccc1C(=O)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCC1 ZINC000219518636 280186670 /nfs/dbraw/zinc/18/66/70/280186670.db2.gz XXQFPCYHQJZKLN-LXTVHRRPSA-N 0 3 289.379 1.305 50 0 CDAAHN C[C@@H]1CN(C(=O)[C@H](c2ccccc2)N(C)C)C[C@@H](C)N1 ZINC000246668697 280297724 /nfs/dbraw/zinc/29/77/24/280297724.db2.gz FFVDZFSBPSKDOB-NFAWXSAZSA-N 0 3 275.396 1.498 50 0 CDAAHN c1cn(Cc2cccnc2)c(-c2cc3n(n2)CCCNC3)n1 ZINC000072438668 327110641 /nfs/dbraw/zinc/11/06/41/327110641.db2.gz ADNXCXTZHOLXAO-UHFFFAOYSA-N 0 3 294.362 1.683 50 0 CDAAHN Cc1ncn(CCNC(=O)CN2CCCCC2)c1C ZINC000670448880 483004602 /nfs/dbraw/zinc/00/46/02/483004602.db2.gz HKRGTIYHMKITII-UHFFFAOYSA-N 0 3 264.373 1.102 50 0 CDAAHN O[C@H]1C[C@H]2CN(Cc3ccsc3)C[C@H]2C[C@@H]1O ZINC000670471481 483075638 /nfs/dbraw/zinc/07/56/38/483075638.db2.gz PCJSNXQXHWRWOD-RNJOBUHISA-N 0 3 253.367 1.312 50 0 CDAAHN CCOc1cccc(CNCCN2CCOCC2)c1 ZINC000019871909 521362726 /nfs/dbraw/zinc/36/27/26/521362726.db2.gz DBVGFUXWZIPTOJ-UHFFFAOYSA-N 0 3 264.369 1.507 50 0 CDAAHN Cc1n[nH]c(C)c1CNCc1cccc(Cn2cncn2)c1 ZINC000097159309 567904956 /nfs/dbraw/zinc/90/49/56/567904956.db2.gz MDTQQWMHWNBVSB-UHFFFAOYSA-N 0 3 296.378 1.956 50 0 CDAAHN C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000888096794 617759632 /nfs/dbraw/zinc/75/96/32/617759632.db2.gz QWIRLWFPQLTZKE-RISCZKNCSA-N 0 3 280.372 1.072 50 0 CDAAHN COc1ncc(-c2ccc(C3(O)CNC3)cc2)cc1C ZINC000935615934 789924246 /nfs/dbraw/zinc/92/42/46/789924246.db2.gz AWXJSKUBYIBGHM-UHFFFAOYSA-N 0 3 270.332 1.856 50 0 CDAAHN Cc1nccn1C[C@H](C)NCc1nncn1C(C)C ZINC000821495581 925587775 /nfs/dbraw/zinc/58/77/75/925587775.db2.gz JAQHYDLGFAINQO-NSHDSACASA-N 0 3 262.361 1.542 50 0 CDAAHN CN1CCCC[C@H]1Cc1nc(CC(N)=O)nn1C(C)(C)C ZINC000826842491 925919483 /nfs/dbraw/zinc/91/94/83/925919483.db2.gz WVXWLBFACPJUBZ-NSHDSACASA-N 0 3 293.415 1.088 50 0 CDAAHN C[C@H](C(=O)NC[C@H](C)Cn1ccnc1)N1CCCCCC1 ZINC000096446802 230374721 /nfs/dbraw/zinc/37/47/21/230374721.db2.gz HBFKEXVBNRJNAD-LSDHHAIUSA-N 0 3 292.427 1.900 50 0 CDAAHN Cc1nc(CN2CCCC[C@H]2CN2CCOCC2)c[nH]1 ZINC000097742610 230386715 /nfs/dbraw/zinc/38/67/15/230386715.db2.gz WUOPFWPUVLZUOA-HNNXBMFYSA-N 0 3 278.400 1.405 50 0 CDAAHN Cc1ncc(CN2CCCC[C@H]2CN2CCOCC2)[nH]1 ZINC000097742610 230386716 /nfs/dbraw/zinc/38/67/16/230386716.db2.gz WUOPFWPUVLZUOA-HNNXBMFYSA-N 0 3 278.400 1.405 50 0 CDAAHN OC[C@@H]1CCCN1Cc1cccc(Cn2cccn2)c1 ZINC000220506351 230397326 /nfs/dbraw/zinc/39/73/26/230397326.db2.gz XRBGPWYSZCHUOS-INIZCTEOSA-N 0 3 271.364 1.888 50 0 CDAAHN CN(CCCOc1ccc(F)cc1)C(=O)C(C)(C)N ZINC000095956846 185042974 /nfs/dbraw/zinc/04/29/74/185042974.db2.gz HDXJHDDQHASESO-UHFFFAOYSA-N 0 3 268.332 1.790 50 0 CDAAHN CNS(=O)(=O)[C@@H]1CCN(CC(C)(C)c2ccccc2)C1 ZINC000095986834 185056314 /nfs/dbraw/zinc/05/63/14/185056314.db2.gz MDLXZQAYDWHKRK-CQSZACIVSA-N 0 3 296.436 1.588 50 0 CDAAHN CC(=O)NCc1ccccc1CN1CCC[C@H]1CO ZINC000096007047 185063371 /nfs/dbraw/zinc/06/33/71/185063371.db2.gz WOSASUFEKXCFII-HNNXBMFYSA-N 0 3 262.353 1.279 50 0 CDAAHN COC(=O)C(C)(C)[C@H]1CCCN(C(=O)[C@@H](N)C(C)C)C1 ZINC000195555049 342626123 /nfs/dbraw/zinc/62/61/23/342626123.db2.gz MDZJRSBRGYJICT-RYUDHWBXSA-N 0 3 284.400 1.408 50 0 CDAAHN CC(C)c1nc(CN2CCN3CCCC[C@H]3C2)no1 ZINC000244690848 361856803 /nfs/dbraw/zinc/85/68/03/361856803.db2.gz IYAIXZNKVAJVJV-LBPRGKRZSA-N 0 3 264.373 1.863 50 0 CDAAHN C[C@@H]1CN(CCC(=O)Nc2cccnc2)CCCO1 ZINC000244724381 361860927 /nfs/dbraw/zinc/86/09/27/361860927.db2.gz MSURDZLHXSMUEE-GFCCVEGCSA-N 0 3 263.341 1.521 50 0 CDAAHN CNC(=O)C[C@H]1CCN(Cc2cccc(OC)c2F)C1 ZINC000670446862 539114297 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CSCC[C@H](N)C(=O)N1CC[C@@H](C)C[C@@H](C)C1 ZINC000195554719 358557378 /nfs/dbraw/zinc/55/73/78/358557378.db2.gz ZNIDWQFCRZJEFR-UTUOFQBUSA-N 0 3 258.431 1.961 50 0 CDAAHN CCc1cnc(NCCCN2CCC[C@H](CO)C2)nc1 ZINC000095383243 358690258 /nfs/dbraw/zinc/69/02/58/358690258.db2.gz QOZALRNMNPGFCN-AWEZNQCLSA-N 0 3 278.400 1.545 50 0 CDAAHN c1c(-c2ccnc3ccccc32)nnn1C[C@H]1CNCCO1 ZINC000095387151 358691350 /nfs/dbraw/zinc/69/13/50/358691350.db2.gz CABAVMYMPKZESK-GFCCVEGCSA-N 0 3 295.346 1.482 50 0 CDAAHN O=C(NCCCn1ccnc1)c1[nH]nc2c1CCCC2 ZINC000096179644 358713154 /nfs/dbraw/zinc/71/31/54/358713154.db2.gz ZASCBVQNWLHFTR-UHFFFAOYSA-N 0 3 273.340 1.305 50 0 CDAAHN COc1cccc(NC(=O)NC2CCN(C)CC2)c1 ZINC000011558717 358723104 /nfs/dbraw/zinc/72/31/04/358723104.db2.gz OXPMIYDOKRNAOM-UHFFFAOYSA-N 0 3 263.341 1.911 50 0 CDAAHN O=C(c1cnc2c(c1)CCCC2)N1[C@@H]2CC[C@H]1CNCC2 ZINC000097674470 358792993 /nfs/dbraw/zinc/79/29/93/358792993.db2.gz VRAQLUUFEHFVFE-CABCVRRESA-N 0 3 285.391 1.927 50 0 CDAAHN O[C@H]1CN(Cc2nccs2)C[C@@H]1N1CCCCC1 ZINC000097698640 358793790 /nfs/dbraw/zinc/79/37/90/358793790.db2.gz XXSPOBAJJBYWPL-RYUDHWBXSA-N 0 3 267.398 1.174 50 0 CDAAHN CC(C)[C@@H]1C=CCN1Cc1cc2n(n1)CCCNC2 ZINC000215306180 358883652 /nfs/dbraw/zinc/88/36/52/358883652.db2.gz HZXJBHKVVUVUJI-HNNXBMFYSA-N 0 3 260.385 1.773 50 0 CDAAHN NC(=O)c1ccc(NC(=O)CCN2CCSCC2)cc1 ZINC000103467897 358924455 /nfs/dbraw/zinc/92/44/55/358924455.db2.gz GZFLGJKGFWYYBP-UHFFFAOYSA-N 0 3 293.392 1.163 50 0 CDAAHN Cc1nn(CC(=O)NCCN2CCCC2)c(C)c1C ZINC000216139795 358927431 /nfs/dbraw/zinc/92/74/31/358927431.db2.gz VSDWFJSIERXNOE-UHFFFAOYSA-N 0 3 264.373 1.020 50 0 CDAAHN CN1CCN(C(=O)CN2CCCC2)C[C@H]1c1ccccc1 ZINC000216340885 358938436 /nfs/dbraw/zinc/93/84/36/358938436.db2.gz NRXKZCOEMJLECG-INIZCTEOSA-N 0 3 287.407 1.598 50 0 CDAAHN CC(=O)N[C@@H]1CN(CCCc2ccccc2)C[C@H]1CO ZINC000257176479 359071829 /nfs/dbraw/zinc/07/18/29/359071829.db2.gz SYGWMAZVPDQSDC-JKSUJKDBSA-N 0 3 276.380 1.048 50 0 CDAAHN 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/nfs/dbraw/zinc/12/72/52/171127252.db2.gz YCTOBBHQDAKAFZ-CQSZACIVSA-N 0 3 292.427 1.353 50 0 CDAAHN CN(CCNC(=O)C1CCN(C)CC1)c1ccccc1 ZINC000071385363 176147007 /nfs/dbraw/zinc/14/70/07/176147007.db2.gz XOVKYGMVIHLVMP-UHFFFAOYSA-N 0 3 275.396 1.581 50 0 CDAAHN O=c1[n-]c(COc2cccc(F)c2)nc2c1CC[NH2+]C2 ZINC000077469912 177271860 /nfs/dbraw/zinc/27/18/60/177271860.db2.gz DRCFOKHGZNKMEO-UHFFFAOYSA-N 0 3 275.283 1.134 50 0 CDAAHN CCOCC(=O)N1C[C@@H](c2ccc(C)cc2)[C@H](N(C)C)C1 ZINC000077506036 276312869 /nfs/dbraw/zinc/31/28/69/276312869.db2.gz ZMECVOMENIHBMW-JKSUJKDBSA-N 0 3 290.407 1.888 50 0 CDAAHN CCO[C@@H]1C[C@@H](N[C@H]2CCN(C)C2=O)C1(CC)CC ZINC000245338988 276475372 /nfs/dbraw/zinc/47/53/72/276475372.db2.gz PUUCDHAYXHDYSL-YNEHKIRRSA-N 0 3 268.401 1.791 50 0 CDAAHN CN1CCN(C)[C@@H](CNc2ccnc3ccccc32)C1 ZINC000225344492 277102210 /nfs/dbraw/zinc/10/22/10/277102210.db2.gz UJAGGMFMHAYPFX-ZDUSSCGKSA-N 0 3 270.380 1.893 50 0 CDAAHN COc1cccc(C(=O)N2CCC[C@H]([NH+](C)C)CC2)c1[O-] ZINC000072148299 278007319 /nfs/dbraw/zinc/00/73/19/278007319.db2.gz WCPDENDCKQHZHG-LBPRGKRZSA-N 0 3 292.379 1.957 50 0 CDAAHN Cn1cc([C@@H]2OCC[C@H]2CNCc2ccco2)cn1 ZINC000089755329 279266545 /nfs/dbraw/zinc/26/65/45/279266545.db2.gz XYQRVOAYRTXDFW-SMDDNHRTSA-N 0 3 261.325 1.881 50 0 CDAAHN C[C@H](C(=O)[O-])N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000299750538 289388247 /nfs/dbraw/zinc/38/82/47/289388247.db2.gz NTCABUITIDBDLJ-ZIAGYGMSSA-N 0 3 268.401 1.903 50 0 CDAAHN C[C@H](C(=O)[O-])[N@@H+]1CCC[C@H](CN2CCC(C)CC2)C1 ZINC000299750538 289388249 /nfs/dbraw/zinc/38/82/49/289388249.db2.gz NTCABUITIDBDLJ-ZIAGYGMSSA-N 0 3 268.401 1.903 50 0 CDAAHN C[C@H](C(=O)[O-])[N@H+]1CCC[C@H](CN2CCC(C)CC2)C1 ZINC000299750538 289388250 /nfs/dbraw/zinc/38/82/50/289388250.db2.gz NTCABUITIDBDLJ-ZIAGYGMSSA-N 0 3 268.401 1.903 50 0 CDAAHN NC(N)S[C@H](CN1CCCCC1)C(F)(F)F ZINC000019321129 303353623 /nfs/dbraw/zinc/35/36/23/303353623.db2.gz ZNFKQGOUOBQICP-SSDOTTSWSA-N 0 3 257.325 1.337 50 0 CDAAHN O[C@H]1CN(CCC(F)(F)F)C[C@@H]1N1CCCCC1 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CO[C@H](C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000097142617 538437612 /nfs/dbraw/zinc/43/76/12/538437612.db2.gz KQORFPAOOVBLEK-NFAWXSAZSA-N 0 3 276.380 1.658 50 0 CDAAHN CCN(CC)C(=O)CN1CCC[C@@]2(CCC[C@H]2O)C1 ZINC001704338204 1177693565 /nfs/dbraw/zinc/69/35/65/1177693565.db2.gz OBTSSQONTLEMIS-HIFRSBDPSA-N 0 3 268.401 1.482 50 0 CDAAHN CCCO[C@H]1CCCN(CCn2cc[nH]c2=O)C1 ZINC001704352063 1177699199 /nfs/dbraw/zinc/69/91/99/1177699199.db2.gz WQUUSKRYUJKZSY-LBPRGKRZSA-N 0 3 253.346 1.480 50 0 CDAAHN O=C(CNC1CSCCSC1)N1CCCC1 ZINC001506406991 975151748 /nfs/dbraw/zinc/15/17/48/975151748.db2.gz SXILLGMXRHGDDR-UHFFFAOYSA-N 0 3 260.428 1.047 50 0 CDAAHN Cc1cc(-n2nc(C(C)C)nc2C2(C(N)=O)CC2)ccn1 ZINC000065425636 822489966 /nfs/dbraw/zinc/48/99/66/822489966.db2.gz VESANEXYLMGIBY-UHFFFAOYSA-N 0 3 285.351 1.611 50 0 CDAAHN CCC1CCC(CNC(=O)[C@]2(N)CC[C@H](O)C2)CC1 ZINC000952884275 910458675 /nfs/dbraw/zinc/45/86/75/910458675.db2.gz XTXQQAOIFVBRIA-DVTFPSANSA-N 0 3 268.401 1.561 50 0 CDAAHN 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C[C@H]1CC[C@H](C(=O)N2CCO[C@@]3(C2)CNCCOC3)CC1 ZINC000244794636 278380543 /nfs/dbraw/zinc/38/05/43/278380543.db2.gz QQTVXKYWUUDKIW-IIAWOOMASA-N 0 3 296.411 1.030 50 0 CDAAHN CC(C)N1CC[C@H](N2CCC[C@H]([C@H](C)O)C2)C1=O ZINC000245338717 280203303 /nfs/dbraw/zinc/20/33/03/280203303.db2.gz OAGOMHUBNQAPDY-AVGNSLFASA-N 0 3 254.374 1.089 50 0 CDAAHN Cc1nc(N)nc(N2CCN(c3ccncc3)CC2)c1C ZINC000095370201 281919036 /nfs/dbraw/zinc/91/90/36/281919036.db2.gz DKYDJZIYKHPSFK-UHFFFAOYSA-N 0 3 284.367 1.397 50 0 CDAAHN CCN(C)[C@@H](C)C(=O)NCc1nn(C)c2ccc(C)cc12 ZINC000534633680 328332894 /nfs/dbraw/zinc/33/28/94/328332894.db2.gz QXJFVVIGNIAQDT-LBPRGKRZSA-N 0 3 288.395 1.838 50 0 CDAAHN COCC(C)(C)CNC(=O)CC[C@H](C)N1CCN(C)CC1 ZINC000534649974 328336613 /nfs/dbraw/zinc/33/66/13/328336613.db2.gz ALUXVEPPHCBEPU-AWEZNQCLSA-N 0 3 299.459 1.191 50 0 CDAAHN Nc1ncccc1CNC(=O)CN1CCCCCCC1 ZINC000534661821 328349442 /nfs/dbraw/zinc/34/94/42/328349442.db2.gz FTYLNQSNLRDHPB-UHFFFAOYSA-N 0 3 276.384 1.546 50 0 CDAAHN 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C[C@@H](O)C1CCN(C(=O)C2(N)Cc3ccccc3C2)CC1 ZINC000097019815 185152785 /nfs/dbraw/zinc/15/27/85/185152785.db2.gz BRZKYZVFFLCGLY-GFCCVEGCSA-N 0 3 288.391 1.102 50 0 CDAAHN C[C@H](c1ccccn1)N1CCC(c2ncc(C(N)=O)[nH]2)CC1 ZINC000685941228 539045895 /nfs/dbraw/zinc/04/58/95/539045895.db2.gz VJIHONJXNUVEQC-LLVKDONJSA-N 0 3 299.378 1.844 50 0 CDAAHN CC(C)=CCN1CC[C@@]2(C1)NC(=O)N(C(C)C)C2=O ZINC000084597336 342265329 /nfs/dbraw/zinc/26/53/29/342265329.db2.gz WLRDWYGJCXLPTP-AWEZNQCLSA-N 0 3 265.357 1.357 50 0 CDAAHN C[C@@H](NCc1ncnn1C)[C@H](c1ccccc1)N(C)C ZINC000585117756 362046554 /nfs/dbraw/zinc/04/65/54/362046554.db2.gz VVLIFFBBSFKVTK-IUODEOHRSA-N 0 3 273.384 1.596 50 0 CDAAHN O[C@H](COCc1ccccc1)CN1CCC[C@@H](O)C1 ZINC000084926163 362276782 /nfs/dbraw/zinc/27/67/82/362276782.db2.gz LIMHTERJJLZADQ-CABCVRRESA-N 0 3 265.353 1.021 50 0 CDAAHN CO[C@H]1C[C@H]2CC[C@@H](C1)N2Cc1cnc(N)s1 ZINC000584893003 349352602 /nfs/dbraw/zinc/35/26/02/349352602.db2.gz SCLACRLHDPAMCU-MYJAWHEDSA-N 0 3 253.371 1.697 50 0 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CCNC(=O)CNC[C@@H](c1cccc(OC)c1)N(C)C ZINC000020070537 358321192 /nfs/dbraw/zinc/32/11/92/358321192.db2.gz FVMPYCJJOZNSKZ-AWEZNQCLSA-N 0 3 279.384 1.024 50 0 CDAAHN C(Cc1nc([C@@H]2CCOC2)no1)CN1CCCC1 ZINC000096138063 358709532 /nfs/dbraw/zinc/70/95/32/358709532.db2.gz GAJSZKZAFXJKGX-LLVKDONJSA-N 0 3 251.330 1.602 50 0 CDAAHN Cn1cncc1CN1CCN(C2Cc3ccccc3C2)CC1 ZINC000214969708 358866340 /nfs/dbraw/zinc/86/63/40/358866340.db2.gz SJVZNDNQQWLGFN-UHFFFAOYSA-N 0 3 296.418 1.705 50 0 CDAAHN CC[C@@H]1CN([C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CCN1C[C@@H](C)O ZINC000095457100 358870549 /nfs/dbraw/zinc/87/05/49/358870549.db2.gz SBPKRZCDZFOEHU-LJIZCISZSA-N 0 3 296.455 1.577 50 0 CDAAHN CC1=CCN(Cc2cccc(OCC(N)=O)c2)CC1 ZINC000216023055 358918181 /nfs/dbraw/zinc/91/81/81/358918181.db2.gz UWXSLZFMPDPFHJ-UHFFFAOYSA-N 0 3 260.337 1.703 50 0 CDAAHN COCCN1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012328140 358999073 /nfs/dbraw/zinc/99/90/73/358999073.db2.gz FFETVKZOZKCNOY-ZDUSSCGKSA-N 0 3 262.353 1.984 50 0 CDAAHN CN(Cc1ncc[nH]1)C(=O)NC[C@H]1CCCCN1C ZINC000426504676 360935497 /nfs/dbraw/zinc/93/54/97/360935497.db2.gz YEGGCJJVZDLXMN-LLVKDONJSA-N 0 3 265.361 1.035 50 0 CDAAHN COc1cccc(CNC[C@@H]2CN(CC(C)C)CCO2)n1 ZINC000190694607 363997154 /nfs/dbraw/zinc/99/71/54/363997154.db2.gz DOWNCDFHARDOPU-OAHLLOKOSA-N 0 3 293.411 1.537 50 0 CDAAHN C[C@@H](CNC(=O)NC(C1CC1)C1CC1)N(C)C1CC1 ZINC000089900908 366961892 /nfs/dbraw/zinc/96/18/92/366961892.db2.gz KFHWUGYRSPQLDM-JTQLQIEISA-N 0 3 265.401 1.957 50 0 CDAAHN CCCn1cnnc1[C@@H](C)NC(=O)C(C)(C)N1CCCC1 ZINC000426641537 284132479 /nfs/dbraw/zinc/13/24/79/284132479.db2.gz NABRRZZFLZEHDN-GFCCVEGCSA-N 0 3 293.415 1.740 50 0 CDAAHN CCN1CC[C@H]2OCCN(c3ncnc4[nH]ccc43)[C@H]2C1 ZINC000292758645 370380635 /nfs/dbraw/zinc/38/06/35/370380635.db2.gz KCBLTMGJMFQBPS-QWHCGFSZSA-N 0 3 287.367 1.257 50 0 CDAAHN CC(C)OCCN1CCC(NC(=O)c2ccsn2)CC1 ZINC000295421671 371268374 /nfs/dbraw/zinc/26/83/74/371268374.db2.gz VZAWZLMMXHYMPW-UHFFFAOYSA-N 0 3 297.424 1.762 50 0 CDAAHN O=C(Cn1cccc1)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000299777378 372755493 /nfs/dbraw/zinc/75/54/93/372755493.db2.gz OCMDLXNWEUFVKU-OAHLLOKOSA-N 0 3 291.395 1.248 50 0 CDAAHN Cc1n[nH]nc1C(=O)N1C[C@@H]2CC[C@H](C1)N(CC1CC1)C2 ZINC000299801387 372771490 /nfs/dbraw/zinc/77/14/90/372771490.db2.gz XKYVGWPQGKNLSM-CHWSQXEVSA-N 0 3 289.383 1.060 50 0 CDAAHN Cc1[nH]c(C=O)cc1C(=O)NC1CCN(C(C)C)CC1 ZINC000253406194 373696696 /nfs/dbraw/zinc/69/66/96/373696696.db2.gz WONKJIISQAURGG-UHFFFAOYSA-N 0 3 277.368 1.738 50 0 CDAAHN CC[C@H]1CN(c2ncnc3c2CCC3)CCN1C[C@H](C)O ZINC000106906112 373790095 /nfs/dbraw/zinc/79/00/95/373790095.db2.gz IJOGUOUJZAOXKI-STQMWFEESA-N 0 3 290.411 1.247 50 0 CDAAHN Cc1n[nH]c(C)c1CN1CCCC[C@@H]1CN1CCOCC1 ZINC000130987174 374354790 /nfs/dbraw/zinc/35/47/90/374354790.db2.gz HUEXYBZDXMJZEI-OAHLLOKOSA-N 0 3 292.427 1.713 50 0 CDAAHN CC(C)n1cc([C@H]2CN3CC[C@H]2C[C@@H]3CO)nn1 ZINC000070633536 374667926 /nfs/dbraw/zinc/66/79/26/374667926.db2.gz IQADILDQHFSVCQ-TUAOUCFPSA-N 0 3 250.346 1.029 50 0 biogenic CDAAHN O=C(Nc1cccc(CN2CCCC2)c1)[C@@H]1COCCO1 ZINC000031237684 375763848 /nfs/dbraw/zinc/76/38/48/375763848.db2.gz BNWNCUKFFATSDS-HNNXBMFYSA-N 0 3 290.363 1.636 50 0 CDAAHN Cc1ncc(CN2CC[C@@H](CC(N)=O)C2)n1-c1ccccc1 ZINC000377852745 377106350 /nfs/dbraw/zinc/10/63/50/377106350.db2.gz TVOJYHPGTKXBEL-AWEZNQCLSA-N 0 3 298.390 1.878 50 0 CDAAHN CCOC(=O)[C@H]1[C@@H](N2CCCC2)C(C)(C)[C@H]1C(=O)OCC ZINC000005796525 390165218 /nfs/dbraw/zinc/16/52/18/390165218.db2.gz RJAIFMNTFDYYIO-JHJVBQTASA-N 0 3 297.395 1.849 50 0 CDAAHN CCN1CC[C@H](N(C)S(=O)(=O)c2cccnc2)[C@H](C)C1 ZINC000096428229 390518477 /nfs/dbraw/zinc/51/84/77/390518477.db2.gz GVTGNSHPRCJXKX-OCCSQVGLSA-N 0 3 297.424 1.432 50 0 CDAAHN Cc1cc(N2CC[C@@H](OCCN3CCCCC3)C2)ncn1 ZINC000096484310 390526929 /nfs/dbraw/zinc/52/69/29/390526929.db2.gz MMDWLKXDLLYOKX-OAHLLOKOSA-N 0 3 290.411 1.866 50 0 CDAAHN Cn1nc(-c2nc(-c3cccc(F)c3)no2)c2c1CCNC2 ZINC000070463095 390606486 /nfs/dbraw/zinc/60/64/86/390606486.db2.gz ASHQTMDKHSFECF-UHFFFAOYSA-N 0 3 299.309 1.922 50 0 CDAAHN CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)CN(C)C(C)C ZINC000223062611 391920022 /nfs/dbraw/zinc/92/00/22/391920022.db2.gz JGWUQXXDAPVHGN-HUUCEWRRSA-N 0 3 298.427 1.583 50 0 CDAAHN CC[C@H]1CN(CCc2ccncc2)CCN1C[C@H](C)O ZINC000107320835 392737055 /nfs/dbraw/zinc/73/70/55/392737055.db2.gz ZXJBIFXMLOIXHL-HOCLYGCPSA-N 0 3 277.412 1.401 50 0 CDAAHN CCC[C@H](N)C(=O)N1CCOC[C@H]1c1ccccc1 ZINC000376789928 393051418 /nfs/dbraw/zinc/05/14/18/393051418.db2.gz PIGFLTSUJGSXSV-KBPBESRZSA-N 0 3 262.353 1.714 50 0 CDAAHN Nc1n[nH]c(SCC(=O)Nc2cccc(F)c2)n1 ZINC000006414578 170199581 /nfs/dbraw/zinc/19/95/81/170199581.db2.gz KZSBCYGSRFKKSG-UHFFFAOYSA-N 0 3 267.289 1.257 50 0 CDAAHN CN1CCN(CCCNC(=O)c2ccc(F)cc2)CC1 ZINC000020819345 171273468 /nfs/dbraw/zinc/27/34/68/171273468.db2.gz UGRNPCAAVUUVTF-UHFFFAOYSA-N 0 3 279.359 1.193 50 0 CDAAHN Cc1ccccc1C(=O)NCCCN1CCN(C)CC1 ZINC000020819358 171273731 /nfs/dbraw/zinc/27/37/31/171273731.db2.gz MULQCALEFVTZRZ-UHFFFAOYSA-N 0 3 275.396 1.362 50 0 CDAAHN CCOc1cc(CN2CCCN(C)CC2)ccc1O ZINC000022454606 171388241 /nfs/dbraw/zinc/38/82/41/171388241.db2.gz HJCVFFADNAPFJC-UHFFFAOYSA-N 0 3 264.369 1.928 50 0 CDAAHN CC(C)N1CCN(Cc2ccccc2)[C@H](CCO)C1 ZINC000039478998 174168945 /nfs/dbraw/zinc/16/89/45/174168945.db2.gz HDOCWVLLUKBVGB-MRXNPFEDSA-N 0 3 262.397 1.964 50 0 CDAAHN CCOC(=O)C(CC)(CCN(C)C)C(=O)OCC ZINC000044124893 175143971 /nfs/dbraw/zinc/14/39/71/175143971.db2.gz VSWDWRALYYVEPM-UHFFFAOYSA-N 0 3 259.346 1.461 50 0 CDAAHN CNCC(=O)N1CCC[C@@H]1c1nc(-c2cccnc2)no1 ZINC000071761207 176261086 /nfs/dbraw/zinc/26/10/86/176261086.db2.gz AGUKOZCFGREYIN-LLVKDONJSA-N 0 3 287.323 1.015 50 0 CDAAHN Cn1ncc(CN2CCC[C@](O)(CO)CC2)c1C1CC1 ZINC000072162743 176330686 /nfs/dbraw/zinc/33/06/86/176330686.db2.gz SVTNMUKUXNSWLM-OAHLLOKOSA-N 0 3 279.384 1.007 50 0 CDAAHN Cc1cc(N[C@@H]2CS(=O)(=O)C[C@H]2O)c2ccccc2n1 ZINC000032513806 424340960 /nfs/dbraw/zinc/34/09/60/424340960.db2.gz LYFJVTHQFPVNNM-ZIAGYGMSSA-N 0 3 292.360 1.113 50 0 CDAAHN CN(C)[C@H]1Cc2ccccc2N(C(=O)c2cnsn2)C1 ZINC000109112530 273820550 /nfs/dbraw/zinc/82/05/50/273820550.db2.gz FNWVHRVOEANVMS-NSHDSACASA-N 0 3 288.376 1.671 50 0 CDAAHN CNC(=O)CN(C)C[C@H]1CCOc2ccccc2C1 ZINC000095529295 277228221 /nfs/dbraw/zinc/22/82/21/277228221.db2.gz BPGRSNBIAKZDEA-LBPRGKRZSA-N 0 3 262.353 1.306 50 0 CDAAHN CC(C)(C)OC(=O)N1CCC[C@]2(CNCCO2)C1 ZINC000072194300 278397130 /nfs/dbraw/zinc/39/71/30/278397130.db2.gz KSLJZAAAQPGVRM-ZDUSSCGKSA-N 0 3 256.346 1.376 50 0 CDAAHN CCO[C@@H]1C[C@@H](N[C@@H]2CCN(C)C2=O)C1(CC)CC ZINC000095408398 279820869 /nfs/dbraw/zinc/82/08/69/279820869.db2.gz PUUCDHAYXHDYSL-JHJVBQTASA-N 0 3 268.401 1.791 50 0 CDAAHN Cc1cc(C(=O)N2CCC[C@@H]2CN2CCCC2)no1 ZINC000066944727 280326246 /nfs/dbraw/zinc/32/62/46/280326246.db2.gz SWOSDVOLRPSLTO-GFCCVEGCSA-N 0 3 263.341 1.683 50 0 CDAAHN Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)N(C)C3)c(C)n1C ZINC000218973491 280344689 /nfs/dbraw/zinc/34/46/89/280344689.db2.gz DNLRFWLTZZTXAN-KBPBESRZSA-N 0 3 275.396 1.808 50 0 CDAAHN OC[C@H]1CCCN(CCNc2cnc3ccccc3n2)C1 ZINC000670439351 482983355 /nfs/dbraw/zinc/98/33/55/482983355.db2.gz GTHNVFBVWKBFDQ-ZDUSSCGKSA-N 0 3 286.379 1.746 50 0 CDAAHN O=C(c1ccoc1)N1CCCN(CC[C@H]2CCOC2)CC1 ZINC000670444588 482991796 /nfs/dbraw/zinc/99/17/96/482991796.db2.gz YFYSCBCUPGBYHA-AWEZNQCLSA-N 0 3 292.379 1.854 50 0 CDAAHN O=C(C1CCC1)N1CCCN(CC[C@H]2CCOC2)CC1 ZINC000670460663 483042117 /nfs/dbraw/zinc/04/21/17/483042117.db2.gz OIYLKOASCYZGMQ-AWEZNQCLSA-N 0 3 280.412 1.747 50 0 CDAAHN CN(C)C[C@]1(CO)CCCN(C(=O)CC2CCCC2)C1 ZINC000670469210 483063502 /nfs/dbraw/zinc/06/35/02/483063502.db2.gz DUGYVEPFZIBCMJ-MRXNPFEDSA-N 0 3 282.428 1.729 50 0 CDAAHN CCC(=O)N1CCC[C@H]1[C@@H]1CCCN1CCn1cccn1 ZINC000084718646 483317594 /nfs/dbraw/zinc/31/75/94/483317594.db2.gz UIGPWOPFHNWAJL-GJZGRUSLSA-N 0 3 290.411 1.749 50 0 CDAAHN O=C(NC[C@@H](O)c1ccccc1Cl)[C@]1(F)CCNC1 ZINC000299739186 526489152 /nfs/dbraw/zinc/48/91/52/526489152.db2.gz LQMIKYNNNXMUTA-YPMHNXCESA-N 0 3 286.734 1.191 50 0 CDAAHN CCCCOC[C@@H](O)CN1CCC(C2OCCO2)CC1 ZINC000195174416 528615494 /nfs/dbraw/zinc/61/54/94/528615494.db2.gz WBORHAGVBIEDGK-AWEZNQCLSA-N 0 3 287.400 1.249 50 0 CDAAHN C[C@@H](NCc1cnn(C)c1)c1ccc(-n2cncn2)cc1 ZINC000097123815 567904580 /nfs/dbraw/zinc/90/45/80/567904580.db2.gz YQKRZDNGYLRFOF-GFCCVEGCSA-N 0 3 282.351 1.852 50 0 CDAAHN Cn1cc(N2CC[C@@H](NCCC(C)(C)C)C2=O)cn1 ZINC000097164469 567905491 /nfs/dbraw/zinc/90/54/91/567905491.db2.gz KMASRMGMZMQLRL-GFCCVEGCSA-N 0 3 264.373 1.551 50 0 CDAAHN CC(=O)N1CCC[C@H](CNc2cc(C)nc(N)n2)C1 ZINC000032587054 631812231 /nfs/dbraw/zinc/81/22/31/631812231.db2.gz CMGGRVFQHNMZRD-LLVKDONJSA-N 0 3 263.345 1.038 50 0 CDAAHN Cc1ccc(CNCCN2CCCC[C@@H]2CO)o1 ZINC000952963432 698377545 /nfs/dbraw/zinc/37/75/45/698377545.db2.gz JZEVYCDYUOXKMV-CYBMUJFWSA-N 0 3 252.358 1.524 50 0 CDAAHN CC(C)[C@H](CCO)NC(=O)C(C)(C)N1CCCCC1 ZINC000863948074 705241440 /nfs/dbraw/zinc/24/14/40/705241440.db2.gz ALDIARZLFBPACJ-ZDUSSCGKSA-N 0 3 270.417 1.774 50 0 CDAAHN CNCC(=O)Nc1ccccc1OC[C@H]1CCCO1 ZINC000066225826 848512618 /nfs/dbraw/zinc/51/26/18/848512618.db2.gz HADDCQRXLFTHMF-LLVKDONJSA-N 0 3 264.325 1.402 50 0 CDAAHN O=C(CN1CCCCCC1)N[C@H]1CCC[C@@H](CO)C1 ZINC000952980952 849417592 /nfs/dbraw/zinc/41/75/92/849417592.db2.gz BDIVRQBQXISVFK-KGLIPLIRSA-N 0 3 268.401 1.530 50 0 CDAAHN CCn1nccc1C(=O)N(CCN(C)C)C1CCOCC1 ZINC000675022426 899879492 /nfs/dbraw/zinc/87/94/92/899879492.db2.gz NZGUDZLPNLQBMW-UHFFFAOYSA-N 0 3 294.399 1.086 50 0 CDAAHN COc1ncc(CN(CCO)C2CCCCC2)cn1 ZINC000828757281 926186141 /nfs/dbraw/zinc/18/61/41/926186141.db2.gz FFQJWMIAJNXUHI-UHFFFAOYSA-N 0 3 265.357 1.612 50 0 CDAAHN Cc1nc(=NC[C@H]2CCCN(Cc3ccco3)C2)n(C)[nH]1 ZINC001529124989 968988477 /nfs/dbraw/zinc/98/84/77/968988477.db2.gz CUNSICRVHVRAOM-CYBMUJFWSA-N 0 3 289.383 1.463 50 0 CDAAHN c1ncn(C[C@H]2CCCN2C[C@H]2CCCCO2)n1 ZINC000106664561 349446144 /nfs/dbraw/zinc/44/61/44/349446144.db2.gz WZRQXOUFTGEWQR-CHWSQXEVSA-N 0 3 250.346 1.312 50 0 CDAAHN 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CCS(=O)(=O)C(C)C(=O)N1CCC2(CCCC2)C1 ZINC000584888206 349346516 /nfs/dbraw/zinc/34/65/16/349346516.db2.gz BWZRAHCXVOEPFE-LLVKDONJSA-N 0 3 273.398 1.602 50 0 CDAAHN COCCN(C)C[C@@H]1CCCN1C(=O)c1csnc1C ZINC000097237477 351605661 /nfs/dbraw/zinc/60/56/61/351605661.db2.gz VNFYGGCQUNQGKK-LBPRGKRZSA-N 0 3 297.424 1.634 50 0 CDAAHN CNCc1ccccc1Oc1ccc(S(N)(=O)=O)cc1 ZINC000012359908 356294985 /nfs/dbraw/zinc/29/49/85/356294985.db2.gz AFXXBAMJRRMZDG-UHFFFAOYSA-N 0 3 292.360 1.846 50 0 CDAAHN CN1CCC(NC(=O)Cc2ccc(F)cc2)CC1 ZINC000016580090 356442086 /nfs/dbraw/zinc/44/20/86/356442086.db2.gz QWGSBCIJSPVREW-UHFFFAOYSA-N 0 3 250.317 1.579 50 0 CDAAHN O=C(CN1CCNCC1)Nc1ccc(Cl)cc1 ZINC000019390164 356483724 /nfs/dbraw/zinc/48/37/24/356483724.db2.gz CGCCARCEEBACDW-UHFFFAOYSA-N 0 3 253.733 1.184 50 0 CDAAHN CN(C)CCn1cc(-c2cncc(Br)c2)nn1 ZINC000725270371 538461085 /nfs/dbraw/zinc/46/10/85/538461085.db2.gz JESCVCPGERUXCR-UHFFFAOYSA-N 0 3 296.172 1.664 50 0 CDAAHN NCC(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 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/nfs/dbraw/zinc/92/67/96/374926796.db2.gz CQMGERSJAHVUBI-LURJTMIESA-N 0 3 269.296 1.278 50 0 CDAAHN CC(C)c1ccc([C@H](N)CNS(C)(=O)=O)cc1 ZINC000095972609 375044423 /nfs/dbraw/zinc/04/44/23/375044423.db2.gz MTPVEGLFMUSMEF-GFCCVEGCSA-N 0 3 256.371 1.359 50 0 CDAAHN O=C(c1ccc(F)cc1Cl)N1CCCNCC1 ZINC000021967084 284659978 /nfs/dbraw/zinc/65/99/78/284659978.db2.gz PPTNTNRXZIWFAL-UHFFFAOYSA-N 0 3 256.708 1.915 50 0 CDAAHN O=C(CSC1=NCCN1)c1cc2ccccc2oc1=O ZINC000032219951 378113097 /nfs/dbraw/zinc/11/30/97/378113097.db2.gz YGJIJLCBGYRINC-UHFFFAOYSA-N 0 3 288.328 1.668 50 0 CDAAHN CCN1CCC2(CC1)C[C@@H]1C[C@H]3C=C[C@]1(CN2C(C)=O)O3 ZINC000000444298 285192256 /nfs/dbraw/zinc/19/22/56/285192256.db2.gz ILVPOFGJZSFGPB-ZMSDIMECSA-N 0 3 290.407 1.807 50 0 biogenic CDAAHN CCOC(=O)CCCCN1CCC(N2CCCC2=O)CC1 ZINC000096417421 390512045 /nfs/dbraw/zinc/51/20/45/390512045.db2.gz VAJMDRIZLHMZGH-UHFFFAOYSA-N 0 3 296.411 1.807 50 0 CDAAHN Cc1csc(NC(=O)NCC2(O)CCN(C)CC2)n1 ZINC000096418359 390512134 /nfs/dbraw/zinc/51/21/34/390512134.db2.gz SILQUIBPZNOZNB-UHFFFAOYSA-N 0 3 284.385 1.030 50 0 CDAAHN C[C@H](CN1C[C@@H](O)C[C@H]1CO)c1cccc(Cl)c1 ZINC000188568891 390967802 /nfs/dbraw/zinc/96/78/02/390967802.db2.gz FVIJBWIQYISCDT-SWHYSGLUSA-N 0 3 269.772 1.871 50 0 CDAAHN CN1CC[C@H](N2CCC[C@H]2C[C@H](O)c2ccccc2)C1=O ZINC000245338627 131084840 /nfs/dbraw/zinc/08/48/40/131084840.db2.gz NISBGRIODMBHNH-JYJNAYRXSA-N 0 3 288.391 1.805 50 0 CDAAHN C[C@H]1CN(C)CCN1CC1CCN(C(=O)C2CC2)CC1 ZINC000085468050 397611094 /nfs/dbraw/zinc/61/10/94/397611094.db2.gz VUJKFPMRXMESHV-ZDUSSCGKSA-N 0 3 279.428 1.271 50 0 CDAAHN CS(=O)(=O)N1CCCSC[C@H]1CN1CCCCC1 ZINC000085473287 286607653 /nfs/dbraw/zinc/60/76/53/286607653.db2.gz RFACFQAVLAOCTE-GFCCVEGCSA-N 0 3 292.470 1.239 50 0 CDAAHN CCOC(=O)C[C@@]1(C)OC[C@@H](CN2CCCCC2)O1 ZINC000004811444 170021027 /nfs/dbraw/zinc/02/10/27/170021027.db2.gz UZULUDFGYFDQFW-OCCSQVGLSA-N 0 3 271.357 1.557 50 0 CDAAHN Cc1cccc(O[C@H](C)C(=O)NCCN(C)C)c1 ZINC000004832731 170025924 /nfs/dbraw/zinc/02/59/24/170025924.db2.gz PSDSWADHTOYFLP-GFCCVEGCSA-N 0 3 250.342 1.440 50 0 CDAAHN Cc1ccc(CN2C(=N)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000005443345 170099951 /nfs/dbraw/zinc/09/99/51/170099951.db2.gz JYVNZVYQTGDGNP-NEPJUHHUSA-N 0 3 296.417 1.644 50 0 CDAAHN C[C@@H]1CCC(=O)N1CC(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000040511631 287244643 /nfs/dbraw/zinc/24/46/43/287244643.db2.gz SRENKLLCHKVTEE-HZSPNIEDSA-N 0 3 295.427 1.376 50 0 CDAAHN CO[C@H]1C[C@@H](CN(C)C(=O)Cc2ccccc2O)N(C)C1 ZINC000285346874 196256594 /nfs/dbraw/zinc/25/65/94/196256594.db2.gz WUMAEFKWHNTFQJ-KBPBESRZSA-N 0 3 292.379 1.112 50 0 CDAAHN CC(C)C[C@@H](N)C(=O)N1CCC(CCn2cccn2)CC1 ZINC000071662005 176242498 /nfs/dbraw/zinc/24/24/98/176242498.db2.gz KJZJJGPASMSXJR-OAHLLOKOSA-N 0 3 292.427 1.885 50 0 CDAAHN CC[C@@H]1CN(CCO)CCC(=O)N1Cc1ccccc1 ZINC000071752640 176260073 /nfs/dbraw/zinc/26/00/73/176260073.db2.gz JPQILORLYIZRTE-OAHLLOKOSA-N 0 3 276.380 1.492 50 0 CDAAHN CC(C(=O)N(C)C1CCC(C)(C)CC1)S(C)(=O)=O ZINC000079070763 177427070 /nfs/dbraw/zinc/42/70/70/177427070.db2.gz PMFMAFSMUKZYPK-JTQLQIEISA-N 0 3 275.414 1.847 50 0 CDAAHN COCCN1C[C@@H]2c3ccc(OC)cc3OC[C@]2(CO)C1 ZINC000095517248 274033396 /nfs/dbraw/zinc/03/33/96/274033396.db2.gz FIKZYMYPXXAYMF-GDBMZVCRSA-N 0 3 293.363 1.112 50 0 CDAAHN O=C([C@H]1C[C@@H](O)CN1)N1CC2(CCCC2)c2ccccc21 ZINC000252519018 275009582 /nfs/dbraw/zinc/00/95/82/275009582.db2.gz AQXGWCXECJTIAE-TZMCWYRMSA-N 0 3 286.375 1.568 50 0 CDAAHN COC[C@@H](NCC(=O)N1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC000108463745 277568249 /nfs/dbraw/zinc/56/82/49/277568249.db2.gz RCSPZVRGNMXCIU-MBNYWOFBSA-N 0 3 268.401 1.506 50 0 CDAAHN Cc1c(Cl)c(C(=O)N2[C@@H]3CC[C@H]2CNCC3)nn1C ZINC000097610027 280229105 /nfs/dbraw/zinc/22/91/05/280229105.db2.gz MFULVIKOTIOFIV-ZJUUUORDSA-N 0 3 282.775 1.348 50 0 CDAAHN CCN(C)[C@H](C)C(=O)NCc1nn(C)c2ccc(C)cc12 ZINC000534633679 328332772 /nfs/dbraw/zinc/33/27/72/328332772.db2.gz QXJFVVIGNIAQDT-GFCCVEGCSA-N 0 3 288.395 1.838 50 0 CDAAHN CCc1ccc2c(c1)C(=O)N(CCN(C)C)CC(=O)N2 ZINC000534659720 328342552 /nfs/dbraw/zinc/34/25/52/328342552.db2.gz QALCEARUOKJNIP-UHFFFAOYSA-N 0 3 275.352 1.205 50 0 CDAAHN NCC(=O)N1CCC[C@H](COc2ccc(F)cc2)C1 ZINC000077421163 327132345 /nfs/dbraw/zinc/13/23/45/327132345.db2.gz VYOYHHSEIPCSEW-NSHDSACASA-N 0 3 266.316 1.402 50 0 CDAAHN Nc1cc(=O)[n-]c(CC[NH2+]C2CCCCCC2)n1 ZINC000670434583 482970197 /nfs/dbraw/zinc/97/01/97/482970197.db2.gz ONXBVLLVPRFWLV-UHFFFAOYSA-N 0 3 250.346 1.619 50 0 CDAAHN COCCN1CCC[C@@H](CN(C)c2ncc(Cl)cn2)C1 ZINC000670458299 483039599 /nfs/dbraw/zinc/03/95/99/483039599.db2.gz IEJNRIGMVNRGIH-LBPRGKRZSA-N 0 3 298.818 1.925 50 0 CDAAHN Cc1cc(CN2CCC(CCC(=O)NC3CC3)CC2)n[nH]1 ZINC000012306004 524673641 /nfs/dbraw/zinc/67/36/41/524673641.db2.gz GNWIUNASCZAOML-UHFFFAOYSA-N 0 3 290.411 1.989 50 0 CDAAHN CCO[C@H]1CN(Cc2ccc3[nH]ccc3c2)C[C@@H]1O ZINC000222749775 528063515 /nfs/dbraw/zinc/06/35/15/528063515.db2.gz CAIHFQFPXVYZIE-GJZGRUSLSA-N 0 3 260.337 1.750 50 0 CDAAHN COc1ccc(C(=O)O[C@H]2CN3CCC2CC3)cc1 ZINC000000487775 545531777 /nfs/dbraw/zinc/53/17/77/545531777.db2.gz RTVDYLNYUUQEKN-AWEZNQCLSA-N 0 3 261.321 1.946 50 0 biogenic CDAAHN O=C(CN1CCC[C@@]2(CCC[C@H]2O)C1)N1CCCC1 ZINC001704341111 1177694881 /nfs/dbraw/zinc/69/48/81/1177694881.db2.gz PUGHHIJLXIUXAW-HIFRSBDPSA-N 0 3 266.385 1.236 50 0 CDAAHN Cc1nncn1CCN1CCC(Oc2cccnc2)CC1 ZINC001506409624 975152617 /nfs/dbraw/zinc/15/26/17/975152617.db2.gz YZNNBIZPVLRQJZ-UHFFFAOYSA-N 0 3 287.367 1.525 50 0 CDAAHN O=C(Nc1ccc(F)c(Cl)c1)N[C@H]1CNCC[C@H]1O ZINC000426465441 230419213 /nfs/dbraw/zinc/41/92/13/230419213.db2.gz LAPUCEIWAXPNFJ-WDEREUQCSA-N 0 3 287.722 1.323 50 0 CDAAHN C[C@]1(c2ccccc2)CCCN(Cc2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000095524617 185003586 /nfs/dbraw/zinc/00/35/86/185003586.db2.gz BLSXBIMRRHZJPI-KRWDZBQOSA-N 0 3 299.374 1.617 50 0 CDAAHN CN(C(=O)Nc1ccc(F)nc1)[C@H]1CCN(C)C1 ZINC000095527266 185003813 /nfs/dbraw/zinc/00/38/13/185003813.db2.gz GBRNMCUHLQKLDB-JTQLQIEISA-N 0 3 252.293 1.389 50 0 CDAAHN Cc1cc(CN(C)C(=O)C(C)S(=O)(=O)C(C)C)no1 ZINC000095954200 185041768 /nfs/dbraw/zinc/04/17/68/185041768.db2.gz WMGTZBGUFOIRTP-JTQLQIEISA-N 0 3 288.369 1.153 50 0 CDAAHN CC(C)N(C)CCOC(=O)c1ccc2c(c1)OCCO2 ZINC000005018090 342089114 /nfs/dbraw/zinc/08/91/14/342089114.db2.gz QXOZRAFANVGMTJ-UHFFFAOYSA-N 0 3 279.336 1.955 50 0 CDAAHN Cc1c(NC(=O)N2CC[C@H](N(C)C)C2)cccc1C(N)=O ZINC000096141686 185106241 /nfs/dbraw/zinc/10/62/41/185106241.db2.gz YCQPBXFNSFYFSL-NSHDSACASA-N 0 3 290.367 1.262 50 0 CDAAHN COC(=O)C1=CCCN(CCC(=O)Nc2ccccc2)C1 ZINC000585140960 342218801 /nfs/dbraw/zinc/21/88/01/342218801.db2.gz MJFOMBKVWXTURG-UHFFFAOYSA-N 0 3 288.347 1.820 50 0 CDAAHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1cc(F)cc(F)c1 ZINC000061650514 539051829 /nfs/dbraw/zinc/05/18/29/539051829.db2.gz DJGNYVXWWYTLQX-KBPBESRZSA-N 0 3 296.317 1.558 50 0 CDAAHN CC[C@@H](C)[C@H](N)C(=O)N1CCC(N2CCCCC2=O)CC1 ZINC000096499723 529417083 /nfs/dbraw/zinc/41/70/83/529417083.db2.gz ZEABLEHPLRBBNZ-DOMZBBRYSA-N 0 3 295.427 1.363 50 0 CDAAHN C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1ccccn1 ZINC000084714959 342267873 /nfs/dbraw/zinc/26/78/73/342267873.db2.gz NMODUOCAYMNJCQ-WFASDCNBSA-N 0 3 273.380 1.818 50 0 CDAAHN CC[C@H](C)CN(C)[C@@H]1CCN(CCC(=O)OC)C1=O ZINC000585094194 362021225 /nfs/dbraw/zinc/02/12/25/362021225.db2.gz OEPYSUCRPIPTGG-NWDGAFQWSA-N 0 3 270.373 1.128 50 0 CDAAHN CC[C@H](C(N)=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC000289288900 136399388 /nfs/dbraw/zinc/39/93/88/136399388.db2.gz GZDGKVLWIOBIPU-OAHLLOKOSA-N 0 3 298.390 1.621 50 0 CDAAHN O[C@@]1(CN[C@@H]2CCCOc3cc(F)ccc32)CCOC1 ZINC000182168515 362286982 /nfs/dbraw/zinc/28/69/82/362286982.db2.gz MFLLOSXBYGQQFV-UKRRQHHQSA-N 0 3 281.327 1.780 50 0 CDAAHN CCCCCN1CC[C@]2(C1)NC(=O)N(C(C)C)C2=O ZINC000089953436 347629517 /nfs/dbraw/zinc/62/95/17/347629517.db2.gz MHTBTXXHEQPMJB-CQSZACIVSA-N 0 3 267.373 1.581 50 0 CDAAHN CS[C@H](C)Cc1cn(CCN2CCCC2)nn1 ZINC000091256082 180114827 /nfs/dbraw/zinc/11/48/27/180114827.db2.gz XOSFZUKIEDNQCT-LLVKDONJSA-N 0 3 254.403 1.668 50 0 CDAAHN O[C@@H]1C[C@H](O)C12CCN(CCc1ccccc1)CC2 ZINC000091873128 180278106 /nfs/dbraw/zinc/27/81/06/180278106.db2.gz FIQVKYRFCQBIPI-GASCZTMLSA-N 0 3 261.365 1.437 50 0 CDAAHN COc1ccccc1C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000106517109 186123341 /nfs/dbraw/zinc/12/33/41/186123341.db2.gz WJPROPGRDSTLLQ-STQMWFEESA-N 0 3 290.363 1.288 50 0 CDAAHN CC[C@H](N)C(=O)N1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000121583360 186983080 /nfs/dbraw/zinc/98/30/80/186983080.db2.gz NNPHBEYLGVZKEG-ILXRZTDVSA-N 0 3 276.380 1.838 50 0 CDAAHN COCCCN1CCN(c2ccccc2OC)CC1 ZINC000001664858 355945002 /nfs/dbraw/zinc/94/50/02/355945002.db2.gz ITNSQDCAZVVFMS-UHFFFAOYSA-N 0 3 264.369 1.854 50 0 in-man CDAAHN CN(C)CCN1C(=O)c2cccc3cc(N)cc(c32)C1=O ZINC000004214836 356021815 /nfs/dbraw/zinc/02/18/15/356021815.db2.gz UPALIKSFLSVKIS-UHFFFAOYSA-N 0 3 283.331 1.580 50 0 investigational CDAAHN CCOc1cccc(C(=O)NC2CCN(C)CC2)c1 ZINC000016606062 356443063 /nfs/dbraw/zinc/44/30/63/356443063.db2.gz LYVKJNOOEJKELL-UHFFFAOYSA-N 0 3 262.353 1.909 50 0 CDAAHN CCOc1ccc([C@@H](CN)N2CCOCC2)cc1 ZINC000019201075 356476038 /nfs/dbraw/zinc/47/60/38/356476038.db2.gz DYMOSECQTNSXEE-CQSZACIVSA-N 0 3 250.342 1.417 50 0 CDAAHN Cc1ncc2c(c1-c1noc([C@H]3CCC(=O)N3)n1)CCNC2 ZINC000019739986 356499178 /nfs/dbraw/zinc/49/91/78/356499178.db2.gz JHEFXEWHVSHCJI-LLVKDONJSA-N 0 3 299.334 1.037 50 0 CDAAHN COc1ccc([C@@H](CN)N2CCOCC2)c(OC)c1 ZINC000019796368 356505676 /nfs/dbraw/zinc/50/56/76/356505676.db2.gz ZEJBQXZLSYSINH-CYBMUJFWSA-N 0 3 266.341 1.036 50 0 CDAAHN C[C@@H](C(=O)N1CCCn2cncc2C1)N1CCC[C@@H](C)C1 ZINC000072172990 356639561 /nfs/dbraw/zinc/63/95/61/356639561.db2.gz WRVXAEMEHRWOKH-KGLIPLIRSA-N 0 3 290.411 1.736 50 0 CDAAHN O=C(c1cccc2nccnc21)N1[C@@H]2CC[C@H]1CNCC2 ZINC000065386184 357534792 /nfs/dbraw/zinc/53/47/92/357534792.db2.gz WNUMTIBERSFZHJ-NEPJUHHUSA-N 0 3 282.347 1.596 50 0 CDAAHN O=C(CC1CCOCC1)N1[C@@H]2CC[C@H]1CNCC2 ZINC000065468222 357543633 /nfs/dbraw/zinc/54/36/33/357543633.db2.gz UXEVRYKPZNCKDB-OLZOCXBDSA-N 0 3 252.358 1.156 50 0 CDAAHN CC(C)c1nnsc1CNc1cc(CN)ncn1 ZINC000067789575 357627275 /nfs/dbraw/zinc/62/72/75/357627275.db2.gz XQFDVCGNCQSDCH-UHFFFAOYSA-N 0 3 264.358 1.522 50 0 CDAAHN Cc1cccc(CNC(=O)CN[C@@H](C)[C@H]2CCCO2)c1 ZINC000097111609 357986840 /nfs/dbraw/zinc/98/68/40/357986840.db2.gz KNJMKIZRXGPGRE-DZGCQCFKSA-N 0 3 276.380 1.768 50 0 CDAAHN CN(CCc1ccncc1)CCn1c(=O)oc2cccnc21 ZINC000097051075 358131007 /nfs/dbraw/zinc/13/10/07/358131007.db2.gz LADHFLBZSOXCBV-UHFFFAOYSA-N 0 3 298.346 1.559 50 0 CDAAHN CSCCCN1CCN(Cc2ccccc2)C[C@H](O)C1 ZINC000095501136 358696520 /nfs/dbraw/zinc/69/65/20/358696520.db2.gz FMIUBDJFHMPITD-MRXNPFEDSA-N 0 3 294.464 1.918 50 0 CDAAHN c1cc(-c2nnn[n-]2)ccc1CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000097578584 358785742 /nfs/dbraw/zinc/78/57/42/358785742.db2.gz IKRLXZAUYHSFCR-KGLIPLIRSA-N 0 3 284.367 1.193 50 0 CDAAHN c1cc(-c2nn[n-]n2)ccc1CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000097578584 358785744 /nfs/dbraw/zinc/78/57/44/358785744.db2.gz IKRLXZAUYHSFCR-KGLIPLIRSA-N 0 3 284.367 1.193 50 0 CDAAHN c1cncc(CN2CCCO[C@@H](CN3CCCC3)C2)c1 ZINC000097766852 358798017 /nfs/dbraw/zinc/79/80/17/358798017.db2.gz ATFCXTIPWYGGOR-INIZCTEOSA-N 0 3 275.396 1.768 50 0 CDAAHN Cc1ccc2c(cc(CN3C[C@H](O)[C@@H](N(C)C)C3)n2C)c1 ZINC000215606124 358895313 /nfs/dbraw/zinc/89/53/13/358895313.db2.gz JFVDVEFISVNSII-IRXDYDNUSA-N 0 3 287.407 1.593 50 0 CDAAHN CN(C)C[C@]1(CO)CCCN(Cc2ccoc2)C1 ZINC000216320495 358937313 /nfs/dbraw/zinc/93/73/13/358937313.db2.gz HMQWMHANIDVGEF-CQSZACIVSA-N 0 3 252.358 1.416 50 0 CDAAHN C[C@H](CNC(=O)c1cnn(C)c1)N1CCCCCC1 ZINC000032344796 358984111 /nfs/dbraw/zinc/98/41/11/358984111.db2.gz INIYSBPEEDSAMT-GFCCVEGCSA-N 0 3 264.373 1.414 50 0 CDAAHN CN1CCN(CCCNC(=O)c2ccccc2F)CC1 ZINC000022829363 359136255 /nfs/dbraw/zinc/13/62/55/359136255.db2.gz ATFPRPKJYJIYSB-UHFFFAOYSA-N 0 3 279.359 1.193 50 0 CDAAHN O[C@H]1CCOC2(CCN(Cc3ccncc3F)CC2)C1 ZINC000257192126 359591028 /nfs/dbraw/zinc/59/10/28/359591028.db2.gz SMBWYQZPKUTRNW-ZDUSSCGKSA-N 0 3 280.343 1.727 50 0 CDAAHN 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