smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCn1cc(CN2C[C@H](O)[C@H](Cc3ccnc4ccccc34)C2)cn1 ZINC001529113539 1121321916 /nfs/dbraw/zinc/32/19/16/1121321916.db2.gz GBIDAXINAOYFBA-XLIONFOSSA-N 0 3 336.439 2.487 50 0 EEAAHN Cc1nn(C)c2nc(N3CCC(N4CCSCC4)CC3)sc12 ZINC000095510317 282285169 /nfs/dbraw/zinc/28/51/69/282285169.db2.gz XJUWBMJVCWENSZ-UHFFFAOYSA-N 0 3 337.518 2.356 50 0 EEAAHN OCC[C@H]1CN(C2CCSCC2)CCN1CCc1ccccc1 ZINC000019792682 202021002 /nfs/dbraw/zinc/02/10/02/202021002.db2.gz GNEVDIPUCCLAMV-IBGZPJMESA-N 0 3 334.529 2.493 50 0 EEAAHN COc1ccc(CCN[C@@H]2CC(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000019889479 202025771 /nfs/dbraw/zinc/02/57/71/202025771.db2.gz SSUYIMLTMGYSGL-GOSISDBHSA-N 0 3 338.407 2.468 50 0 EEAAHN O=c1nc(CN2CC[NH2+]CC2)[n-]c2scc(-c3cccs3)c21 ZINC000020268181 202036727 /nfs/dbraw/zinc/03/67/27/202036727.db2.gz OADLEHUQERTNMU-UHFFFAOYSA-N 0 3 332.454 2.118 50 0 EEAAHN CC(C)=CCN1CCN(Cc2cccc3nccnc23)C[C@@H]1CCO ZINC000020451220 202042897 /nfs/dbraw/zinc/04/28/97/202042897.db2.gz WEWSHWSUAWHDDR-SFHVURJKSA-N 0 3 340.471 2.465 50 0 EEAAHN O[C@H](CNC[C@@H](c1ccco1)N1CCCC1)COc1ccccc1 ZINC000022029670 202077315 /nfs/dbraw/zinc/07/73/15/202077315.db2.gz AEPMCVPISXPVSO-AEFFLSMTSA-N 0 3 330.428 2.446 50 0 EEAAHN O=C(CN1CCN(C2CCCCC2)CC1)Nc1cccc2nonc21 ZINC000022752054 202091377 /nfs/dbraw/zinc/09/13/77/202091377.db2.gz HTVQWPIAUPLZHO-UHFFFAOYSA-N 0 3 343.431 2.112 50 0 EEAAHN Cc1cc(NC(=O)CN2CCCN(Cc3ccccc3)CC2)no1 ZINC000023355092 202103695 /nfs/dbraw/zinc/10/36/95/202103695.db2.gz BFIBTGCFULRKED-UHFFFAOYSA-N 0 3 328.416 2.129 50 0 EEAAHN C[C@H](c1ccccc1)N(C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000024686441 202119144 /nfs/dbraw/zinc/11/91/44/202119144.db2.gz AONCGJVWTHJQOV-CQSZACIVSA-N 0 3 334.441 2.406 50 0 EEAAHN Cc1ccccc1[C@@H]1CCN(CCNC(=O)c2cccn3cnnc23)C1 ZINC000426634102 241319344 /nfs/dbraw/zinc/31/93/44/241319344.db2.gz DRILEGCNDJDAMF-MRXNPFEDSA-N 0 3 349.438 2.257 50 0 EEAAHN c1cn(Cc2cnc3c(c2)CCC3)c(-c2cc3n(n2)CCCNC3)n1 ZINC000072420058 203218567 /nfs/dbraw/zinc/21/85/67/203218567.db2.gz IMOFZUXMRDQCBF-UHFFFAOYSA-N 0 3 334.427 2.172 50 0 EEAAHN O=c1cc(C[NH+]2CCCCC2)nc2[n-]c(NCc3cccs3)nn21 ZINC000101797071 204022754 /nfs/dbraw/zinc/02/27/54/204022754.db2.gz WDQLZZYIDSKHGQ-UHFFFAOYSA-N 0 3 344.444 2.077 50 0 EEAAHN CN1CCN(Cc2ccc(F)cc2Cl)C[C@@]12CCNC(=O)CC2 ZINC000107400581 204234864 /nfs/dbraw/zinc/23/48/64/204234864.db2.gz RLJYWRLBGPCILV-QGZVFWFLSA-N 0 3 339.842 2.265 50 0 EEAAHN Cc1ccccc1[C@H]1CCN(CCNC(=O)c2n[nH]c3c2CCC3)C1 ZINC000244701090 281391906 /nfs/dbraw/zinc/39/19/06/281391906.db2.gz KAARMWJPOIBHJG-HNNXBMFYSA-N 0 3 338.455 2.426 50 0 EEAAHN Cc1cccn2c(CNC(=O)N3CC[C@H](N4CCCCC4)C3)cnc12 ZINC000534647285 468269548 /nfs/dbraw/zinc/26/95/48/468269548.db2.gz OLSBZDGQVWWZIG-INIZCTEOSA-N 0 3 341.459 2.413 50 0 EEAAHN CN(C)CCNc1nc2sc3c(c2c2ncnn21)CC(C)(C)OC3 ZINC000002336460 462592205 /nfs/dbraw/zinc/59/22/05/462592205.db2.gz XYTYNHCDFKNKDY-UHFFFAOYSA-N 0 3 346.460 2.164 50 0 EEAAHN CN(C)CCNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1 ZINC000002678706 462598914 /nfs/dbraw/zinc/59/89/14/462598914.db2.gz WWGAQRQCPJZLHW-SDXDJHTJSA-N 0 3 337.423 2.135 50 0 EEAAHN COc1ccc2ccccc2c1CNCCSc1nnnn1C ZINC000004488541 462632863 /nfs/dbraw/zinc/63/28/63/462632863.db2.gz CSIBKFICCGXFOC-UHFFFAOYSA-N 0 3 329.429 2.254 50 0 EEAAHN CN(C)[C@@H]1C[C@@H](CO)N(C(=O)c2csc(-c3cccs3)n2)C1 ZINC000065408792 462766561 /nfs/dbraw/zinc/76/65/61/462766561.db2.gz RESFVZUYVPYDSQ-MNOVXSKESA-N 0 3 337.470 2.009 50 0 EEAAHN COc1cc(C(=O)NCCSC)ccc1OC1CCN(C)CC1 ZINC000011843419 462839696 /nfs/dbraw/zinc/83/96/96/462839696.db2.gz OKJDMJVXHHRSAS-UHFFFAOYSA-N 0 3 338.473 2.261 50 0 EEAAHN CCC[C@H]1CN(CCc2ccccn2)C[C@@H]1NS(=O)(=O)CCC ZINC000091616468 462891858 /nfs/dbraw/zinc/89/18/58/462891858.db2.gz IMQIFXNIVBUJOM-RDJZCZTQSA-N 0 3 339.505 2.054 50 0 EEAAHN Cc1cc(N2CCC[C@@H](c3nccn3Cc3cccnc3)C2)nc(N)n1 ZINC000091656148 462895393 /nfs/dbraw/zinc/89/53/93/462895393.db2.gz GMBLSMQGTXKKOV-MRXNPFEDSA-N 0 3 349.442 2.391 50 0 EEAAHN CC1(C)[C@H]2CC[C@]1(C)C(=O)N(C[C@@H](O)CN1CCCCCC1)C2=O ZINC000013564352 462895978 /nfs/dbraw/zinc/89/59/78/462895978.db2.gz HVUSCPODFBEQJZ-YZVOILCLSA-N 0 3 336.476 2.035 50 0 EEAAHN Cc1nnc(SCCCNC(=O)[C@H]2CCCCCN2C)s1 ZINC000091893928 462912410 /nfs/dbraw/zinc/91/24/10/462912410.db2.gz ISOJFLFVNDQJGH-GFCCVEGCSA-N 0 3 328.507 2.319 50 0 EEAAHN COCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc(OC)c(F)c1)C2 ZINC000091896337 462912567 /nfs/dbraw/zinc/91/25/67/462912567.db2.gz CNFKDMRLIFZLQU-UKRRQHHQSA-N 0 3 336.407 2.017 50 0 EEAAHN Cc1cc(N2CCC(c3nccn3Cc3cccnc3)CC2)nc(N)n1 ZINC000091997835 462917871 /nfs/dbraw/zinc/91/78/71/462917871.db2.gz UPDIDHNPOVDVEP-UHFFFAOYSA-N 0 3 349.442 2.391 50 0 EEAAHN CC(C)c1nn(C)cc1CNC[C@H](O)CN1CCc2ccccc2C1 ZINC000048711460 462932865 /nfs/dbraw/zinc/93/28/65/462932865.db2.gz BOWCAOCLVQUWPX-IBGZPJMESA-N 0 3 342.487 2.052 50 0 EEAAHN CCN1CCC(NC(=O)COc2cccc(Br)c2)CC1 ZINC000016604718 462983181 /nfs/dbraw/zinc/98/31/81/462983181.db2.gz UCPJNJYUKYZTFU-UHFFFAOYSA-N 0 3 341.249 2.428 50 0 EEAAHN CCN1CCC[C@@H](CNS(=O)(=O)c2cc(Cl)ccc2OC)C1 ZINC000067688873 463038682 /nfs/dbraw/zinc/03/86/82/463038682.db2.gz SQGNYICDBBREBD-LBPRGKRZSA-N 0 3 346.880 2.359 50 0 EEAAHN CSc1ccc2cc(CN3CC[C@H](N(C)C(C)=O)C3)c(=O)[nH]c2c1 ZINC000067886166 463063081 /nfs/dbraw/zinc/06/30/81/463063081.db2.gz DMEWIEMJPXPFEB-HNNXBMFYSA-N 0 3 345.468 2.303 50 0 EEAAHN COc1ccc([C@@H]2CN(C(=O)C3CC3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095357652 463068401 /nfs/dbraw/zinc/06/84/01/463068401.db2.gz HCFCXAMVWQQAJS-IPMKNSEASA-N 0 3 326.440 2.494 50 0 EEAAHN C[C@@H](Cc1cnccn1)NC(=O)C1CCN(Cc2ccco2)CC1 ZINC000095358439 463068729 /nfs/dbraw/zinc/06/87/29/463068729.db2.gz VDIPEVFLMNUGKB-AWEZNQCLSA-N 0 3 328.416 2.029 50 0 EEAAHN Cc1nc([C@@H]2CCCN(C(=O)CCC[NH+]3CCCCC3)C2)cc(=O)[n-]1 ZINC000095368384 463069526 /nfs/dbraw/zinc/06/95/26/463069526.db2.gz FHWYDPJIYGIMKD-MRXNPFEDSA-N 0 3 346.475 2.050 50 0 EEAAHN Cc1ncc(CO)c(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3)c1[O-] ZINC000095372247 463069585 /nfs/dbraw/zinc/06/95/85/463069585.db2.gz RIFHGOFOEHVLPM-FUHWJXTLSA-N 0 3 345.487 2.284 50 0 EEAAHN Cc1ncc(CO)c(C[N@H+]2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3)c1[O-] ZINC000095372247 463069589 /nfs/dbraw/zinc/06/95/89/463069589.db2.gz RIFHGOFOEHVLPM-FUHWJXTLSA-N 0 3 345.487 2.284 50 0 EEAAHN O=C(NCC1CCN(Cc2cnc[nH]2)CC1)C1(c2ccccc2)CC1 ZINC000067973635 463074965 /nfs/dbraw/zinc/07/49/65/463074965.db2.gz LNZMBQFRSBQMSZ-UHFFFAOYSA-N 0 3 338.455 2.470 50 0 EEAAHN Cn1ccnc1CN1CCN(C[C@@H]2CCOc3ccccc3C2)CC1 ZINC000095498785 463094516 /nfs/dbraw/zinc/09/45/16/463094516.db2.gz RYJUNIMJMUNPDX-QGZVFWFLSA-N 0 3 340.471 2.179 50 0 EEAAHN Cc1ccc(F)c(S(=O)(=O)N2C[C@@H](C(C)C)[C@H](N(C)C)C2)c1 ZINC000095504614 463098371 /nfs/dbraw/zinc/09/83/71/463098371.db2.gz ZPWFUVHZHQRYTL-DZGCQCFKSA-N 0 3 328.453 2.341 50 0 EEAAHN C[NH+](C)CCn1ccnc1[C@@H]1CCCN(C(=O)c2cccc([O-])c2)C1 ZINC000095521400 463102135 /nfs/dbraw/zinc/10/21/35/463102135.db2.gz XOLHNVQPISXYJC-MRXNPFEDSA-N 0 3 342.443 2.170 50 0 EEAAHN CSCCN1CCC(NC(=O)c2cc(-c3ccncc3)n[nH]2)CC1 ZINC000097505227 463360296 /nfs/dbraw/zinc/36/02/96/463360296.db2.gz VNXKLSULEYUDLG-UHFFFAOYSA-N 0 3 345.472 2.029 50 0 EEAAHN COc1ccc(OC)c(CN2CCN(CC(C)C)[C@H](CCO)C2)c1 ZINC000104319757 463412610 /nfs/dbraw/zinc/41/26/10/463412610.db2.gz QPMPEGNRLGLSIJ-QGZVFWFLSA-N 0 3 336.476 2.228 50 0 EEAAHN Cc1cccc(CN2CCN(C3CCSCC3)C[C@H]2CCO)n1 ZINC000105626898 463457632 /nfs/dbraw/zinc/45/76/32/463457632.db2.gz FSIOXIHNYBYWIZ-GOSISDBHSA-N 0 3 335.517 2.154 50 0 EEAAHN C[C@@H](CNC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1)N1CCCC1 ZINC000106147822 463506206 /nfs/dbraw/zinc/50/62/06/463506206.db2.gz JZFZPKPGWUGQBW-JKIFEVAISA-N 0 3 329.444 2.495 50 0 EEAAHN Cc1ccc(N2CCN(C(=O)CN3CCCCCCC3)CC2=O)cc1 ZINC000082109964 463515744 /nfs/dbraw/zinc/51/57/44/463515744.db2.gz ZDTXRJORNFKJCU-UHFFFAOYSA-N 0 3 343.471 2.436 50 0 EEAAHN O[C@H]1Cc2ccccc2[C@H]1Nc1ncnc2sc3c(c21)CCNC3 ZINC000082121780 463516687 /nfs/dbraw/zinc/51/66/87/463516687.db2.gz DPKOBUZWUGKHTQ-XJKSGUPXSA-N 0 3 338.436 2.407 50 0 EEAAHN O=c1[n-]c(NCc2cc(C(F)(F)F)ccc2F)nc2c1CC[NH2+]C2 ZINC000082146656 463519396 /nfs/dbraw/zinc/51/93/96/463519396.db2.gz QGFZVRQYKGJOED-UHFFFAOYSA-N 0 3 342.296 2.186 50 0 EEAAHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)N1CC=C(c2cccs2)CC1 ZINC000110600882 463660005 /nfs/dbraw/zinc/66/00/05/463660005.db2.gz LDCPQUVCQGRLHS-HOTGVXAUSA-N 0 3 347.484 2.410 50 0 EEAAHN Cn1cnc(C(=O)N2CCCN(CCCc3ccccc3)CC2)c1 ZINC000178230977 463864450 /nfs/dbraw/zinc/86/44/50/463864450.db2.gz JUZWEZKDWKGGLO-UHFFFAOYSA-N 0 3 326.444 2.201 50 0 EEAAHN CSCCN1CCN(C(=O)[C@@H](C)N(C)C2CCCCC2)CC1 ZINC000584902638 468960213 /nfs/dbraw/zinc/96/02/13/468960213.db2.gz QMXGYHKYQIYSBY-OAHLLOKOSA-N 0 3 327.538 2.147 50 0 EEAAHN C[C@H](CCc1ncnn1-c1ccc2c(c1)CCC2)N1CCN(C)CC1 ZINC000670421755 485637983 /nfs/dbraw/zinc/63/79/83/485637983.db2.gz AUMIHTLXDNHFFW-MRXNPFEDSA-N 0 3 339.487 2.325 50 0 EEAAHN CCOc1cccc(-c2ccc(C(=O)NC[C@H]3CNCCO3)cc2)c1 ZINC000426412737 535445574 /nfs/dbraw/zinc/44/55/74/535445574.db2.gz IWLXREAPDWOXHJ-LJQANCHMSA-N 0 3 340.423 2.471 50 0 EEAAHN CN(CCC(=O)Nc1cccnc1)C[C@H]1COc2ccccc2O1 ZINC000244817068 536307752 /nfs/dbraw/zinc/30/77/52/536307752.db2.gz STWSKIUQEXBDDD-HNNXBMFYSA-N 0 3 327.384 2.182 50 0 EEAAHN Cc1ccc(NC(=O)CN(C)C)cc1NC(=O)CN(C)C1CCCC1 ZINC000952981900 796144493 /nfs/dbraw/zinc/14/44/93/796144493.db2.gz MYLNMWKYIVBXGP-UHFFFAOYSA-N 0 3 346.475 2.308 50 0 EEAAHN CN(CC(=O)Nc1ccc(CC(=O)NC2CC2)cc1)C1CCCC1 ZINC000952984861 796148739 /nfs/dbraw/zinc/14/87/39/796148739.db2.gz CEJZIWRVCACEKB-UHFFFAOYSA-N 0 3 329.444 2.321 50 0 EEAAHN COc1cc(C)ccc1S(=O)(=O)NC[C@@H](C(C)C)N1CCCC1 ZINC000824541274 800272228 /nfs/dbraw/zinc/27/22/28/800272228.db2.gz PMCFLEQYPBJZOT-HNNXBMFYSA-N 0 3 340.489 2.402 50 0 EEAAHN CCN(Cc1ccncc1)[C@H]1CCCN(C(=O)Cc2ccn(C)c2)C1 ZINC000012434889 803389419 /nfs/dbraw/zinc/38/94/19/803389419.db2.gz PIXCAEPVJYFJES-IBGZPJMESA-N 0 3 340.471 2.476 50 0 EEAAHN CNC(=O)NC(=O)[C@H](N[C@@H](C)CCc1ccco1)c1ccccc1 ZINC000023673529 202107363 /nfs/dbraw/zinc/10/73/63/202107363.db2.gz BCYGCMXVMPWQLN-XJKSGUPXSA-N 0 3 329.400 2.387 50 0 EEAAHN CCCN(CCC)CC(=O)NCc1cc(OC)c(OC)c(OC)c1 ZINC000027270892 202152608 /nfs/dbraw/zinc/15/26/08/202152608.db2.gz FQKNRUIWDNNLJP-UHFFFAOYSA-N 0 3 338.448 2.451 50 0 EEAAHN CCN1CCN([C@H](C)CNC(=O)c2cc(-c3ccccc3)on2)CC1 ZINC000032594190 202228600 /nfs/dbraw/zinc/22/86/00/202228600.db2.gz DXBIDFDHQCWRKU-OAHLLOKOSA-N 0 3 342.443 2.097 50 0 EEAAHN CCN1CCC[C@H]1CNC(=S)Nc1ccc(N2CCCC2)nc1 ZINC000032909082 202241113 /nfs/dbraw/zinc/24/11/13/202241113.db2.gz ADFVDLLMVAUPJE-HNNXBMFYSA-N 0 3 333.505 2.453 50 0 EEAAHN C[C@H]1C[C@H](C)CN(CCCNS(=O)(=O)c2cccc(F)c2)C1 ZINC000032935735 202244102 /nfs/dbraw/zinc/24/41/02/202244102.db2.gz PLIJADCBESXKJA-KBPBESRZSA-N 0 3 328.453 2.472 50 0 EEAAHN COCCN(Cc1ccc(OC)cc1)C[C@H](O)COCC(C)C ZINC000036095195 202314069 /nfs/dbraw/zinc/31/40/69/202314069.db2.gz MIKQBJHJUPNIFQ-KRWDZBQOSA-N 0 3 325.449 2.177 50 0 EEAAHN COCCN(Cc1cccs1)C[C@@H](O)COCc1ccco1 ZINC000036096539 202314817 /nfs/dbraw/zinc/31/48/17/202314817.db2.gz WANXCGFGOYJEQN-CQSZACIVSA-N 0 3 325.430 2.367 50 0 EEAAHN O=C(NCC1CCN(c2ccncc2)CC1)c1ccc2c(c1)OCO2 ZINC000070928465 202338359 /nfs/dbraw/zinc/33/83/59/202338359.db2.gz DXTVQRKPRPWMOY-UHFFFAOYSA-N 0 3 339.395 2.457 50 0 EEAAHN N[C@H](Cc1ccccc1)C(=O)N1CCCN(Cc2cccs2)CC1 ZINC000071776544 202353570 /nfs/dbraw/zinc/35/35/70/202353570.db2.gz HKMUTSMHOIVUSX-GOSISDBHSA-N 0 3 343.496 2.352 50 0 EEAAHN CNC(=O)Cc1ccc(NC(=O)N2CC(N3CCCC[C@@H]3C)C2)cc1 ZINC000426701373 241328006 /nfs/dbraw/zinc/32/80/06/241328006.db2.gz HJBROGHNQXGLLQ-AWEZNQCLSA-N 0 3 344.459 2.066 50 0 EEAAHN CCc1nc(C)c([C@H]2CN(C)C[C@@H]2C(=O)N2C[C@@H]3CC=CC[C@@H]3C2)[nH]1 ZINC000071551743 203100423 /nfs/dbraw/zinc/10/04/23/203100423.db2.gz PFSSDYWAZVGKPQ-YVSFHVDLSA-N 0 3 342.487 2.350 50 0 EEAAHN O=C(NC1CC1)[C@H]1CN(CC(c2ccccc2)c2ccccc2)CCN1 ZINC000072157095 203176459 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2.415 50 0 EEAAHN CN(C)[C@@H]1CCN(C(=O)c2ccc(-c3ncnc4[nH]ccc43)cc2)C1 ZINC000534587347 468266111 /nfs/dbraw/zinc/26/61/11/468266111.db2.gz UBZDVBOBBYGWKS-OAHLLOKOSA-N 0 3 335.411 2.401 50 0 EEAAHN NCc1nc(C(=O)NC[C@H](c2ccccc2)N2CCCCCC2)co1 ZINC000670471430 485654671 /nfs/dbraw/zinc/65/46/71/485654671.db2.gz IOKMHNWHKLTQGZ-QGZVFWFLSA-N 0 3 342.443 2.480 50 0 EEAAHN CCCc1cc(C(=O)N2CCCO[C@H](CN3CCCCC3)C2)no1 ZINC000082099448 1188876317 /nfs/dbraw/zinc/87/63/17/1188876317.db2.gz DLHXWGGJUGQITJ-MRXNPFEDSA-N 0 3 335.448 2.344 50 0 EEAAHN c1nn(-c2ccccc2)cc1CN1CCC[C@H](CN2CCOCC2)C1 ZINC000112200854 1204980689 /nfs/dbraw/zinc/98/06/89/1204980689.db2.gz DRSIJMPQJQGCKV-GOSISDBHSA-N 0 3 340.471 2.417 50 0 EEAAHN Cc1ccccc1-n1cc(CN(C)C[C@@H]2CCC(=O)N(C)C2)cn1 ZINC001772807485 1410369137 /nfs/dbraw/zinc/36/91/37/1410369137.db2.gz OAKHJQSYZSVCBS-INIZCTEOSA-N 0 3 326.444 2.481 50 0 EEAAHN Cc1ccc(CN2C[C@@H]3CN(c4nccs4)C[C@]3(CO)C2)s1 ZINC001772812111 1410369743 /nfs/dbraw/zinc/36/97/43/1410369743.db2.gz AQTZVGOGXZPBTL-CJNGLKHVSA-N 0 3 335.498 2.444 50 0 EEAAHN CCn1nc(Cc2ccc(OC)c(OC)c2)nc1[C@@]1(C)CCN(C)C1 ZINC000824603786 800282458 /nfs/dbraw/zinc/28/24/58/800282458.db2.gz PKICASZHEDYDSF-IBGZPJMESA-N 0 3 344.459 2.499 50 0 EEAAHN CCn1nc(NC[C@H]2CN(Cc3ccccc3)CCCO2)nc1OC ZINC001529099262 1121311785 /nfs/dbraw/zinc/31/17/85/1121311785.db2.gz VGVPMXXPPSQYET-INIZCTEOSA-N 0 3 345.447 2.010 50 0 EEAAHN Cc1c(O)ccc2c(CN3CCC4(CC3)OCCO4)cc(=O)oc12 ZINC000054306983 214229977 /nfs/dbraw/zinc/22/99/77/214229977.db2.gz FMXHDWQMDDFAGX-UHFFFAOYSA-N 0 3 331.368 2.146 50 0 biogenic EEAAHN CCN(CC)Cc1cnc2c(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3C4)cnn2c1 ZINC000067674625 215179834 /nfs/dbraw/zinc/17/98/34/215179834.db2.gz GAJCFIBYMNKDIR-YSVLISHTSA-N 0 3 341.459 2.490 50 0 EEAAHN C[C@H]1CCCCN1C1CN(C(=O)CCC(=O)Nc2cccc(O)c2)C1 ZINC000067852057 215231691 /nfs/dbraw/zinc/23/16/91/215231691.db2.gz KSYDUMIKDOLMKN-AWEZNQCLSA-N 0 3 345.443 2.196 50 0 EEAAHN Cc1ncc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)cn1 ZINC000071748082 215804582 /nfs/dbraw/zinc/80/45/82/215804582.db2.gz DYVZNEUQNIMQHK-VAMGGRTRSA-N 0 3 348.450 2.487 50 0 EEAAHN Cc1ccnc(NCCNC(=O)C2(N(C)C)Cc3ccccc3C2)c1 ZINC000072141672 216027744 /nfs/dbraw/zinc/02/77/44/216027744.db2.gz XHWZJYBHBAZGGF-UHFFFAOYSA-N 0 3 338.455 2.017 50 0 EEAAHN CN(Cc1cc2n(n1)CCCNC2)Cc1ccc2nsnc2c1 ZINC000072146066 216032796 /nfs/dbraw/zinc/03/27/96/216032796.db2.gz CTWUNRTWDDVINO-UHFFFAOYSA-N 0 3 328.445 2.013 50 0 EEAAHN O=C1CC[C@H]2CN(Cc3cnc[nH]3)CC[C@H]2N1CCc1ccccc1 ZINC000072435485 216229393 /nfs/dbraw/zinc/22/93/93/216229393.db2.gz YFUUQUYVONTTEF-PKOBYXMFSA-N 0 3 338.455 2.465 50 0 EEAAHN COc1ccc([C@H](O)C(=O)N2CCCN(C3CCCC3)CC2)cc1 ZINC000215323410 241121025 /nfs/dbraw/zinc/12/10/25/241121025.db2.gz MZWRALPKIIUUEY-SFHVURJKSA-N 0 3 332.444 2.206 50 0 EEAAHN CN(C)C[C@@]1(O)CCCN(C(=O)NCc2c(F)cccc2Cl)C1 ZINC000426527767 241304016 /nfs/dbraw/zinc/30/40/16/241304016.db2.gz LVQVKHYUMXJHOA-INIZCTEOSA-N 0 3 343.830 2.077 50 0 EEAAHN CCN1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCc1ccc(C)cc1 ZINC000021868458 212256842 /nfs/dbraw/zinc/25/68/42/212256842.db2.gz KGGOHMLOJRLSRD-UHFFFAOYSA-N 0 3 342.439 2.339 50 0 biogenic EEAAHN Cc1nnc(C2CCN(CC(=O)Nc3cccc(F)c3C)CC2)[nH]1 ZINC000244718964 243065430 /nfs/dbraw/zinc/06/54/30/243065430.db2.gz LUJQWXJSRHNOSH-UHFFFAOYSA-N 0 3 331.395 2.379 50 0 EEAAHN CCN1CCN(CCCNC(=S)Nc2ccc(OC)cc2)CC1 ZINC000020608853 212153806 /nfs/dbraw/zinc/15/38/06/212153806.db2.gz DUDAWDICRULNDA-UHFFFAOYSA-N 0 3 336.505 2.009 50 0 EEAAHN Cc1cc(CN2CCN(Cc3ccccc3C)[C@@H](CCO)C2)n[nH]1 ZINC000019733042 212058757 /nfs/dbraw/zinc/05/87/57/212058757.db2.gz KPYRTIKCMJIIOP-IBGZPJMESA-N 0 3 328.460 2.095 50 0 EEAAHN COc1cccc(CCN[C@@H]2CC(=O)N(c3ccc(C)cc3)C2=O)c1 ZINC000019210607 212004633 /nfs/dbraw/zinc/00/46/33/212004633.db2.gz GRDGCIINJYUGAI-GOSISDBHSA-N 0 3 338.407 2.468 50 0 EEAAHN COc1ccccc1/C=C/CN1CC[C@@]2(C1)CCCN(CCO)C2=O ZINC000091536506 218019589 /nfs/dbraw/zinc/01/95/89/218019589.db2.gz KWPAIMNBMFCPON-WWPOYFSUSA-N 0 3 344.455 2.015 50 0 EEAAHN Cc1noc(C)c1CN1C[C@H]2CC[C@H](CN2Cc2nccn2C)C1 ZINC000091586726 218025755 /nfs/dbraw/zinc/02/57/55/218025755.db2.gz VJZNMRNDOBNVNA-JKSUJKDBSA-N 0 3 329.448 2.121 50 0 EEAAHN CCc1cc(C(=O)N2CCC([C@H](C)N3CCN(C)CC3)CC2)ccn1 ZINC000091595588 218029525 /nfs/dbraw/zinc/02/95/25/218029525.db2.gz GGTXVUDHZGIFOY-INIZCTEOSA-N 0 3 344.503 2.132 50 0 EEAAHN CN(C)[C@@H]1CCN(C(=O)c2coc(COc3ccc(F)cc3)n2)C1 ZINC000011768271 211246512 /nfs/dbraw/zinc/24/65/12/211246512.db2.gz WJCBVMPAWWRGNQ-CYBMUJFWSA-N 0 3 333.363 2.169 50 0 EEAAHN Cc1ccccc1N1CCN(C(=O)[C@@H](N)C2CCCCC2)CC1=O ZINC000092078693 218117188 /nfs/dbraw/zinc/11/71/88/218117188.db2.gz KJHJDZPQXRLOMM-SFHVURJKSA-N 0 3 329.444 2.078 50 0 EEAAHN COc1ccc(S(=O)(=O)NCCCN2CCCC2)cc1Cl ZINC000010450152 211174173 /nfs/dbraw/zinc/17/41/73/211174173.db2.gz VYMHNORDULKZIR-UHFFFAOYSA-N 0 3 332.853 2.113 50 0 EEAAHN Cc1cccc(N2CCN(CCC(=O)NCCn3cccc3)CC2)c1 ZINC000095358269 218292143 /nfs/dbraw/zinc/29/21/43/218292143.db2.gz XEEOYDKVELTDBZ-UHFFFAOYSA-N 0 3 340.471 2.125 50 0 EEAAHN Nc1nccc(N2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CCN3CC2)n1 ZINC000095375906 218308700 /nfs/dbraw/zinc/30/87/00/218308700.db2.gz QDRXKBSVEFBGHJ-CGTJXYLNSA-N 0 3 339.418 2.265 50 0 EEAAHN CCn1cnnc1CCNC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000095384126 218316110 /nfs/dbraw/zinc/31/61/10/218316110.db2.gz CFJCOUKLXAUDJG-UHFFFAOYSA-N 0 3 341.459 2.256 50 0 EEAAHN CSc1ccc(C(=O)NCC[C@H]2CCC(=O)N2CCN(C)C)cc1 ZINC000299788572 258094742 /nfs/dbraw/zinc/09/47/42/258094742.db2.gz UMCUBBOMSDANNJ-OAHLLOKOSA-N 0 3 349.500 2.081 50 0 EEAAHN CC[C@H]1C(=O)NCCN1Cc1ccc2c(c1)CN(CC(C)C)CCO2 ZINC000299792133 258097243 /nfs/dbraw/zinc/09/72/43/258097243.db2.gz DIXMEJQVTVOBSB-SFHVURJKSA-N 0 3 345.487 2.247 50 0 EEAAHN CN(C)S(=O)(=O)CCCN1CCCC[C@@H]1CCc1ccccn1 ZINC000252488418 464965115 /nfs/dbraw/zinc/96/51/15/464965115.db2.gz IRMPVMCBATZYOH-QGZVFWFLSA-N 0 3 339.505 2.150 50 0 EEAAHN CCN1CCC[C@H]1CNC(=O)N1CCN(c2ccccc2OC)CC1 ZINC000074497176 462606748 /nfs/dbraw/zinc/60/67/48/462606748.db2.gz NZIDLRCUAURHIH-INIZCTEOSA-N 0 3 346.475 2.011 50 0 EEAAHN CCOC(=O)C1CCN(C[C@H](O)c2c[nH]c3ccc(OC)cc32)CC1 ZINC000005164209 462647748 /nfs/dbraw/zinc/64/77/48/462647748.db2.gz UCTXOIFAYJKEHV-SFHVURJKSA-N 0 3 346.427 2.485 50 0 EEAAHN CCOc1ccc(CN2C[C@H](N(C)C)C[C@H]2C(=O)OC)cc1Cl ZINC000065429332 462770347 /nfs/dbraw/zinc/77/03/47/462770347.db2.gz ZHXIFFKWIAVFGV-HIFRSBDPSA-N 0 3 340.851 2.416 50 0 EEAAHN C[C@H](NCc1ccccc1Cn1cccn1)C(=O)NC1CCCC1 ZINC000065528419 462789424 /nfs/dbraw/zinc/78/94/24/462789424.db2.gz DDGHEGLNFGMJBR-HNNXBMFYSA-N 0 3 326.444 2.468 50 0 EEAAHN O=C1NC2CN(Cc3ccccc3)CC1CN(Cc1ccccc1)C2 ZINC000019909886 463022399 /nfs/dbraw/zinc/02/23/99/463022399.db2.gz FXVSFOADPOHIPJ-UHFFFAOYSA-N 0 3 335.451 2.119 50 0 EEAAHN Cc1nc(C(=O)N2CCC(c3nccn3CCN(C)C)CC2)cs1 ZINC000095500383 463094729 /nfs/dbraw/zinc/09/47/29/463094729.db2.gz YJKOGGIWDNEBHP-UHFFFAOYSA-N 0 3 347.488 2.229 50 0 EEAAHN CCc1cccc(NC(=O)N2CCN([C@@H]3CN4CCC3CC4)CC2)c1 ZINC000095504690 463098087 /nfs/dbraw/zinc/09/80/87/463098087.db2.gz DVLPGGXJGXVHLC-LJQANCHMSA-N 0 3 342.487 2.493 50 0 EEAAHN O[C@H](COc1ccccc1CN1CCCOCC1)CN1CCCCC1 ZINC000095516541 463100438 /nfs/dbraw/zinc/10/04/38/463100438.db2.gz NWHNJAZSVVZNPV-IBGZPJMESA-N 0 3 348.487 2.135 50 0 EEAAHN O=c1ccc(-c2ccccc2OC[C@H](O)CN2CCCCC2)c[nH]1 ZINC000096148675 463185727 /nfs/dbraw/zinc/18/57/27/463185727.db2.gz XCGIWMGDOIZHLW-MRXNPFEDSA-N 0 3 328.412 2.268 50 0 EEAAHN CNC(=O)c1ccc(/C=C\C(=O)NCCN2CCCC[C@H]2C)cc1 ZINC000103500393 463403791 /nfs/dbraw/zinc/40/37/91/463403791.db2.gz XNSDIUVSPZSZNC-MEODZPNASA-N 0 3 329.444 2.050 50 0 EEAAHN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NC[C@@H]2CCCCN2CC)C1 ZINC000110996960 463668194 /nfs/dbraw/zinc/66/81/94/463668194.db2.gz MCBMAHDTQXZFLO-BBWFWOEESA-N 0 3 337.508 2.262 50 0 EEAAHN COc1cccc2c1OCC(CN1CC[C@]3(OC)CC[C@@H](O)C[C@H]13)=C2 ZINC000299774136 465886202 /nfs/dbraw/zinc/88/62/02/465886202.db2.gz AYUQAHCSEFDPJT-IMFGXOCKSA-N 0 3 345.439 2.475 50 0 EEAAHN Cc1cc(CNC(=O)N(CCN(C)C)C[C@@H]2CCCO2)ccc1F ZINC000340916030 466432658 /nfs/dbraw/zinc/43/26/58/466432658.db2.gz HAWZRNQTRPAQFS-INIZCTEOSA-N 0 3 337.439 2.386 50 0 EEAAHN Cc1cc2c(cc1CN1CCC3(CC1)OCCC[C@@H]3O)OCCO2 ZINC000095389182 1215363042 /nfs/dbraw/zinc/36/30/42/1215363042.db2.gz HLLPZQYBFWTKRS-SFHVURJKSA-N 0 3 333.428 2.272 50 0 EEAAHN O=C(C1CCOCC1)N1CCCN(CCCOc2ccccc2)CC1 ZINC001194628779 1283205872 /nfs/dbraw/zinc/20/58/72/1283205872.db2.gz ADEYSQNAGZRSMM-UHFFFAOYSA-N 0 3 346.471 2.416 50 0 EEAAHN O=C(NCc1noc(-c2ccco2)n1)C1(N2CCCC2)CCCC1 ZINC000952870379 796048672 /nfs/dbraw/zinc/04/86/72/796048672.db2.gz YOFNFKPTFGWFSM-UHFFFAOYSA-N 0 3 330.388 2.354 50 0 EEAAHN COC[C@H](NC1CCN(C(=O)c2cccnc2)CC1)c1ccccn1 ZINC001506425959 1114603485 /nfs/dbraw/zinc/60/34/85/1114603485.db2.gz HTVUTLWHQRGXDN-SFHVURJKSA-N 0 3 340.427 2.059 50 0 EEAAHN Cn1c(CO)nnc1[C@H]1CCCN(Cc2cc3ccccc3o2)C1 ZINC000097823441 219058831 /nfs/dbraw/zinc/05/88/31/219058831.db2.gz CPLIOGQSLKFZAP-AWEZNQCLSA-N 0 3 326.400 2.433 50 0 EEAAHN Cc1c([O-])ccc2c(C)c(CCC(=O)NCCC[NH+](C)C)c(=O)oc12 ZINC000004084794 210116522 /nfs/dbraw/zinc/11/65/22/210116522.db2.gz NPXBZYCEPGSWTO-UHFFFAOYSA-N 0 3 346.427 2.116 50 0 biogenic EEAAHN C[C@H](NC[C@H](O)COc1ccccc1)[C@@H]1COc2ccccc2O1 ZINC000004025042 210101173 /nfs/dbraw/zinc/10/11/73/210101173.db2.gz CZLWUFZQTCVKEE-DOXZYTNZSA-N 0 3 329.396 2.244 50 0 biogenic EEAAHN O=C(NCc1ccc(Cl)cc1)NC[C@H]1CCN(Cc2cnc[nH]2)C1 ZINC000067514123 215157456 /nfs/dbraw/zinc/15/74/56/215157456.db2.gz YKLCPKAFMFBWDN-CQSZACIVSA-N 0 3 347.850 2.384 50 0 EEAAHN O=C(NC[C@@H]1CCN(Cc2ccco2)C1)c1cccc2nccnc21 ZINC000067688833 215184227 /nfs/dbraw/zinc/18/42/27/215184227.db2.gz CUFAEMDYOYNIIU-AWEZNQCLSA-N 0 3 336.395 2.475 50 0 EEAAHN Cc1cc(CN2CCC[C@@H](CNC(=O)Cn3cccn3)C2)oc1C ZINC000067804277 215216321 /nfs/dbraw/zinc/21/63/21/215216321.db2.gz MSBQRIRINOGUQI-INIZCTEOSA-N 0 3 330.432 2.121 50 0 EEAAHN CN(C)[C@H]1CCN(C(=O)c2cc(CN(C)Cc3ccccc3)on2)C1 ZINC000067894178 215241786 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ZINC000071746905 463420688 /nfs/dbraw/zinc/42/06/88/463420688.db2.gz HEBOCBTXHHADME-UHFFFAOYSA-N 0 3 335.477 2.497 50 0 EEAAHN CC1CCN(CCCc2noc(C3(O)CCSCC3)n2)CC1 ZINC000125539271 463554433 /nfs/dbraw/zinc/55/44/33/463554433.db2.gz VQMHEBIRXIMHPV-UHFFFAOYSA-N 0 3 325.478 2.449 50 0 EEAAHN C[C@H](C(=O)N1CCC(C)CC1)N1CC[C@@H](CNc2ccccn2)C1 ZINC000222197501 464127234 /nfs/dbraw/zinc/12/72/34/464127234.db2.gz HVLUOIKFCLSTED-SJORKVTESA-N 0 3 330.476 2.462 50 0 EEAAHN O=C(NCCc1ccccc1)C1CCN(CCc2cn[nH]c2)CC1 ZINC000252495570 464968980 /nfs/dbraw/zinc/96/89/80/464968980.db2.gz OTSLQEAYHPCXGY-UHFFFAOYSA-N 0 3 326.444 2.023 50 0 EEAAHN C[C@H](CC(=O)NCCN1CCCC1)CC(=O)Nc1ccc(F)cc1 ZINC000012628682 526237671 /nfs/dbraw/zinc/23/76/71/526237671.db2.gz FFGMEFTXWZJXPN-CQSZACIVSA-N 0 3 335.423 2.393 50 0 EEAAHN CCCc1ncncc1C(=O)N1CCC(N2CCSCC2)CC1 ZINC000216181426 535549239 /nfs/dbraw/zinc/54/92/39/535549239.db2.gz OGVHZDKPSVKVLQ-UHFFFAOYSA-N 0 3 334.489 2.083 50 0 EEAAHN COc1ccc(Cc2nc(CC[C@@H](C)N3CCOCC3)n[nH]2)cc1 ZINC000824674492 800282005 /nfs/dbraw/zinc/28/20/05/800282005.db2.gz JFBBHMDDTXYREV-CQSZACIVSA-N 0 3 330.432 2.057 50 0 EEAAHN COc1ccc(Cc2n[nH]c(CC[C@@H](C)N3CCOCC3)n2)cc1 ZINC000824674492 800282012 /nfs/dbraw/zinc/28/20/12/800282012.db2.gz JFBBHMDDTXYREV-CQSZACIVSA-N 0 3 330.432 2.057 50 0 EEAAHN COc1ccccc1Cc1nc([C@H]2CCN(C)C2)n(CC(C)(C)O)n1 ZINC000824821895 800293034 /nfs/dbraw/zinc/29/30/34/800293034.db2.gz UBAGAGWMMCBMGS-HNNXBMFYSA-N 0 3 344.459 2.068 50 0 EEAAHN O=C1OCC2(CCN(Cc3cccc(Cn4cccn4)c3)CC2)O1 ZINC000097632156 219042526 /nfs/dbraw/zinc/04/25/26/219042526.db2.gz GSLNLJJCKZCZKZ-UHFFFAOYSA-N 0 3 327.384 2.433 50 0 EEAAHN CCNC(=O)[C@@H]1C[C@H](NCc2ccc(F)c(F)c2)CN1C(C)C ZINC000039557602 213241177 /nfs/dbraw/zinc/24/11/77/213241177.db2.gz ODRZVQQTAHDCNX-BBRMVZONSA-N 0 3 325.403 2.042 50 0 EEAAHN COc1ccc([C@@H]2CN(Cc3ncc[nH]3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072168171 216058659 /nfs/dbraw/zinc/05/86/59/216058659.db2.gz PTISYGXQXFKDQQ-DFQSSKMNSA-N 0 3 338.455 2.481 50 0 EEAAHN Cc1ncc2c(c1CNC(=O)[C@H](C)Oc1ccccc1)CCNC2 ZINC000072418787 216207405 /nfs/dbraw/zinc/20/74/05/216207405.db2.gz UTMUHXKABVFNAI-AWEZNQCLSA-N 0 3 325.412 2.119 50 0 EEAAHN CN(Cc1cc(-c2cccnc2)no1)C(=O)NC[C@]1(C)CCN(C)C1 ZINC000426500287 241301179 /nfs/dbraw/zinc/30/11/79/241301179.db2.gz NEDCLQAUHHUNQQ-SFHVURJKSA-N 0 3 343.431 2.220 50 0 EEAAHN Cn1c2ccccc2nc1CN1CCN(C2CCCC2)[C@@H](CCO)C1 ZINC000019939649 212087968 /nfs/dbraw/zinc/08/79/68/212087968.db2.gz RMHJRNQFSWIJDY-KRWDZBQOSA-N 0 3 342.487 2.385 50 0 EEAAHN COc1ccccc1-n1cc(C(=O)N[C@H]2Cc3ccccc3[C@@H]2N)cn1 ZINC000091893272 218084801 /nfs/dbraw/zinc/08/48/01/218084801.db2.gz OEORQTYNJCGJFM-LPHOPBHVSA-N 0 3 348.406 2.235 50 0 EEAAHN O=C(c1ccc2nccn2c1)N1CCCO[C@@H](CN2CCCCC2)C1 ZINC000091893259 218085094 /nfs/dbraw/zinc/08/50/94/218085094.db2.gz UZAJMGSJLAAUMJ-KRWDZBQOSA-N 0 3 342.443 2.051 50 0 EEAAHN Cc1cc(F)ccc1CN1CCC2(CCC(=O)N(CCO)C2)CC1 ZINC000092106793 218120984 /nfs/dbraw/zinc/12/09/84/218120984.db2.gz LXDDEMQCVTYXAY-UHFFFAOYSA-N 0 3 334.435 2.331 50 0 EEAAHN CN1CCN(C[C@@H]2CCCN(c3ncnc4cc(F)ccc43)C2)CC1 ZINC000095388357 218321007 /nfs/dbraw/zinc/32/10/07/218321007.db2.gz YYKNAWPVSHUDHS-HNNXBMFYSA-N 0 3 343.450 2.233 50 0 EEAAHN CN1CCC[C@@H](CNC(=O)Nc2cccnc2OCC(F)F)C1 ZINC000123190822 292279650 /nfs/dbraw/zinc/27/96/50/292279650.db2.gz YIPIJLHYMZJHIV-NSHDSACASA-N 0 3 328.363 2.189 50 0 EEAAHN CN1CCC2(CC1)OCCN2C(=O)c1ccccc1Br ZINC000013719247 289899357 /nfs/dbraw/zinc/89/93/57/289899357.db2.gz VGWYUMNHVMSLTH-UHFFFAOYSA-N 0 3 339.233 2.343 50 0 EEAAHN COc1cccc(-c2n[nH]cc2C(=O)N[C@@H](C)CN2CCCC2)c1 ZINC000097370456 295280610 /nfs/dbraw/zinc/28/06/10/295280610.db2.gz WBFAWMRBYPQLBG-ZDUSSCGKSA-N 0 3 328.416 2.299 50 0 EEAAHN Cc1cccc(C2(NCC(=O)N[C@H]3CCCCNC3=O)CCCC2)c1 ZINC000113932057 462616658 /nfs/dbraw/zinc/61/66/58/462616658.db2.gz KGSMCGHGNZWZKO-KRWDZBQOSA-N 0 3 343.471 2.139 50 0 EEAAHN Cn1nccc1C(=O)N[C@H]1CCCN(CCCc2ccccc2)C1 ZINC000012574998 462857957 /nfs/dbraw/zinc/85/79/57/462857957.db2.gz INIPRKSTAACZTL-KRWDZBQOSA-N 0 3 326.444 2.247 50 0 EEAAHN Cc1nc(C)c(C(=O)N2C[C@H]3CC[C@@H]2CN(C2CCOCC2)C3)s1 ZINC000091305417 462871208 /nfs/dbraw/zinc/87/12/08/462871208.db2.gz BQQOTPWAIRQLKM-GOEBONIOSA-N 0 3 349.500 2.475 50 0 EEAAHN CCCCc1cn(C2CCN(C(=O)[C@H](C)N3CCCC3)CC2)nn1 ZINC000048422391 462908250 /nfs/dbraw/zinc/90/82/50/462908250.db2.gz LARGVPKNSZFXJE-HNNXBMFYSA-N 0 3 333.480 2.269 50 0 EEAAHN CCc1nnc2n1C[C@@H](NCc1cc3c(cc1OC)C[C@@H](C)O3)CC2 ZINC000097199511 463344491 /nfs/dbraw/zinc/34/44/91/463344491.db2.gz MAORFGKESRZUCQ-DOMZBBRYSA-N 0 3 342.443 2.277 50 0 EEAAHN Cc1nn(C)c(C)c1CC(=O)NCCCN1CCc2ccccc2C1 ZINC000032401144 463375367 /nfs/dbraw/zinc/37/53/67/463375367.db2.gz SPZLFNWBNVLJIV-UHFFFAOYSA-N 0 3 340.471 2.144 50 0 EEAAHN CC(C)[C@@H]1CN(C(=O)C(=O)c2cccnc2)CCCN1CC1CC1 ZINC000071708126 463419100 /nfs/dbraw/zinc/41/91/00/463419100.db2.gz KCDMZLAWXZWZKJ-KRWDZBQOSA-N 0 3 329.444 2.233 50 0 EEAAHN CSc1ccc(-c2nc(CN3C[C@H](O)[C@@H](N(C)C)C3)c(C)o2)cc1 ZINC000071775787 463424501 /nfs/dbraw/zinc/42/45/01/463424501.db2.gz IAXQZZKFPLHZNU-IRXDYDNUSA-N 0 3 347.484 2.479 50 0 EEAAHN CCC[C@H](O)CN(CCN1CCOCC1)Cc1ccc(C)s1 ZINC000036100898 463434662 /nfs/dbraw/zinc/43/46/62/463434662.db2.gz BZKKQDGYMCIOEQ-INIZCTEOSA-N 0 3 326.506 2.352 50 0 EEAAHN CN1CCC(N(CCc2ccccc2)C(=O)N2CCOCC2)CC1 ZINC000072156304 463482665 /nfs/dbraw/zinc/48/26/65/463482665.db2.gz POXCFMURTLONSC-UHFFFAOYSA-N 0 3 331.460 2.078 50 0 EEAAHN CCN(C(=O)COCCOC)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000106756099 463533615 /nfs/dbraw/zinc/53/36/15/463533615.db2.gz SVHGJGNMLUPKDZ-AEFFLSMTSA-N 0 3 334.460 2.333 50 0 EEAAHN CSc1ccc(CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1 ZINC000106905420 463549380 /nfs/dbraw/zinc/54/93/80/463549380.db2.gz GUCBXAJZDJSXQV-LSDHHAIUSA-N 0 3 335.473 2.071 50 0 EEAAHN Cn1c2ccccc2cc(CN2CCCN(c3ncccn3)CC2)c1=O ZINC000215387285 464106041 /nfs/dbraw/zinc/10/60/41/464106041.db2.gz WIBKHXRLMQZNNW-UHFFFAOYSA-N 0 3 349.438 2.041 50 0 EEAAHN c1ccc(N2CCN(CCN3CCO[C@@H]4CCCC[C@H]43)CC2)cc1 ZINC000244858508 464462593 /nfs/dbraw/zinc/46/25/93/464462593.db2.gz VMNJFBQHFPUVRI-WOJBJXKFSA-N 0 3 329.488 2.452 50 0 EEAAHN CN1CCC(O)(CNC(=O)NCCCc2ccc(Cl)cc2)CC1 ZINC000265969218 464753370 /nfs/dbraw/zinc/75/33/70/464753370.db2.gz TYYHJPCAGGPWIU-UHFFFAOYSA-N 0 3 339.867 2.029 50 0 EEAAHN CN(C)[C@H]1CCN(CC(=O)NCCc2cccc(C(F)(F)F)c2)C1 ZINC000252502797 464972182 /nfs/dbraw/zinc/97/21/82/464972182.db2.gz UTDTZOAPAFQLJN-HNNXBMFYSA-N 0 3 343.393 2.000 50 0 EEAAHN CN(C)[C@@H](CNC(=O)c1cn(C)nn1)c1csc2ccccc21 ZINC000575622567 468152424 /nfs/dbraw/zinc/15/24/24/468152424.db2.gz ZVYMKWIUFFMQON-AWEZNQCLSA-N 0 3 329.429 2.063 50 0 EEAAHN Cc1nnc(CN(C)C(=O)NC[C@@H](c2cccc(C)c2)N(C)C)o1 ZINC000534587778 468266011 /nfs/dbraw/zinc/26/60/11/468266011.db2.gz PMFNAAUAHCNRAP-HNNXBMFYSA-N 0 3 331.420 2.131 50 0 EEAAHN CC(C)(C)c1cc(CNC(=O)N2CCN(c3ccncc3)CC2)[nH]n1 ZINC000426551384 535107112 /nfs/dbraw/zinc/10/71/12/535107112.db2.gz UZQGZLSZVFARHO-UHFFFAOYSA-N 0 3 342.447 2.134 50 0 EEAAHN C[C@H](C1CCN(C(=O)c2ccc(Cl)cn2)CC1)N1CCOCC1 ZINC000072480867 1286347148 /nfs/dbraw/zinc/34/71/48/1286347148.db2.gz SCOMYVROIQWHDY-CYBMUJFWSA-N 0 3 337.851 2.308 50 0 EEAAHN Cc1nc(-c2ccc(C[N@H+](C)CCn3cccn3)cc2)[n-]c(=O)c1C ZINC000048261862 1316617768 /nfs/dbraw/zinc/61/77/68/1316617768.db2.gz ZUKNTUFTFUDKMQ-UHFFFAOYSA-N 0 3 337.427 2.382 50 0 EEAAHN Cc1nc(-c2ccc(C[N@@H+](C)CCn3cccn3)cc2)[n-]c(=O)c1C ZINC000048261862 1316617770 /nfs/dbraw/zinc/61/77/70/1316617770.db2.gz ZUKNTUFTFUDKMQ-UHFFFAOYSA-N 0 3 337.427 2.382 50 0 EEAAHN CC(C)C1=NO[C@H](C(=O)NCC2CCN(Cc3ccco3)CC2)C1 ZINC000827792002 800512156 /nfs/dbraw/zinc/51/21/56/800512156.db2.gz SYTWMYDOAJYHRR-KRWDZBQOSA-N 0 3 333.432 2.409 50 0 EEAAHN Cn1cc(CCC(=O)NCC2CCN(Cc3ccsc3)CC2)cn1 ZINC000827822481 800517731 /nfs/dbraw/zinc/51/77/31/800517731.db2.gz WRYMDSIJUSCAQL-UHFFFAOYSA-N 0 3 346.500 2.443 50 0 EEAAHN CCN(CCN1CCOCC1)Cc1cc(=O)c2cc(Cl)ccc2[nH]1 ZINC001506425795 1114603691 /nfs/dbraw/zinc/60/36/91/1114603691.db2.gz HDZIRHNDKOSGBT-UHFFFAOYSA-N 0 3 349.862 2.336 50 0 EEAAHN CN(C)Cc1cccc(C(=O)N(C)[C@@H]2C[C@@H]3CC(=O)N(C)C[C@@H]3C2)c1 ZINC001529126980 1121328888 /nfs/dbraw/zinc/32/88/88/1121328888.db2.gz VXSPBEXDQFBDAQ-FGTMMUONSA-N 0 3 343.471 2.077 50 0 EEAAHN Cc1cccc(CN2CCC[C@@H](CCNC(=O)c3cncnc3)C2)n1 ZINC000067587512 215165193 /nfs/dbraw/zinc/16/51/93/215165193.db2.gz YBGDGGTWPWKBLL-INIZCTEOSA-N 0 3 339.443 2.212 50 0 EEAAHN CNCC(=O)N1CCOc2c(O)cc(-c3ccc(Cl)cn3)cc2C1 ZINC000067712544 215191043 /nfs/dbraw/zinc/19/10/43/215191043.db2.gz OCASKTMSWXHVBM-UHFFFAOYSA-N 0 3 347.802 2.048 50 0 EEAAHN CC(C)NC(=O)NC[C@H]1CCCN(Cc2ccc3c(c2)OCCO3)C1 ZINC000067739497 215199677 /nfs/dbraw/zinc/19/96/77/215199677.db2.gz SRABCDQLDZTNJQ-MRXNPFEDSA-N 0 3 347.459 2.377 50 0 EEAAHN Cc1cc(C[C@H](C)Nc2nc(-c3cccnc3)nc3c2CCNC3)n[nH]1 ZINC000067788870 215213100 /nfs/dbraw/zinc/21/31/00/215213100.db2.gz UKRLTVBYBDRHAP-LBPRGKRZSA-N 0 3 349.442 2.259 50 0 EEAAHN Cc1cc(C[C@H](C)Nc2nc(-c3cccnc3)nc3c2CCNC3)[nH]n1 ZINC000067788870 215213101 /nfs/dbraw/zinc/21/31/01/215213101.db2.gz UKRLTVBYBDRHAP-LBPRGKRZSA-N 0 3 349.442 2.259 50 0 EEAAHN NC1(C(=O)NC[C@H]2CCCN(Cc3ccccc3F)C2)CCCC1 ZINC000067818027 215219542 /nfs/dbraw/zinc/21/95/42/215219542.db2.gz VQBTVNWZYSVOCC-OAHLLOKOSA-N 0 3 333.451 2.425 50 0 EEAAHN Cc1ccc(-c2cc(O)c3c(c2)CN(C(=O)[C@H](C)N)CCO3)s1 ZINC000067934083 215252937 /nfs/dbraw/zinc/25/29/37/215252937.db2.gz HGBQCKIHEUXDQT-NSHDSACASA-N 0 3 332.425 2.497 50 0 EEAAHN CC(C)(C)CN1CCN(Cc2cccc3c2OCO3)C[C@H]1CCO ZINC000104432076 219385641 /nfs/dbraw/zinc/38/56/41/219385641.db2.gz VNTMIDRCCNNIJJ-MRXNPFEDSA-N 0 3 334.460 2.330 50 0 EEAAHN CCn1cc(CN2CCN(CC3CCCCC3)[C@H](CCO)C2)cn1 ZINC000039552580 213240042 /nfs/dbraw/zinc/24/00/42/213240042.db2.gz JQKGKGIHYFVIKA-LJQANCHMSA-N 0 3 334.508 2.352 50 0 EEAAHN COCCCN(C(=O)NCc1cccc(F)c1)C1CCN(C)CC1 ZINC000072145478 216032833 /nfs/dbraw/zinc/03/28/33/216032833.db2.gz VIYHBIKQQVOCBP-UHFFFAOYSA-N 0 3 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/nfs/dbraw/zinc/33/38/85/212333885.db2.gz CHFXHZUHYZQQBO-INIZCTEOSA-N 0 3 336.476 2.316 50 0 EEAAHN CN(Cc1ccccc1Cl)C(=O)NCCN1CCCC[C@@H]1CO ZINC000426669158 241322591 /nfs/dbraw/zinc/32/25/91/241322591.db2.gz SDWPCVLZSLTCRJ-OAHLLOKOSA-N 0 3 339.867 2.328 50 0 EEAAHN CN(CCNC(=O)N(C)Cc1cscn1)CCc1ccccc1 ZINC000426620046 241317194 /nfs/dbraw/zinc/31/71/94/241317194.db2.gz NEWJPDRDUNALMA-UHFFFAOYSA-N 0 3 332.473 2.459 50 0 EEAAHN CSc1ncccc1C(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000223335922 241636435 /nfs/dbraw/zinc/63/64/35/241636435.db2.gz LWNBGRIWKQMXLZ-CQSZACIVSA-N 0 3 335.473 2.177 50 0 EEAAHN Cc1noc(C)c1CCc1nc(-c2c(C)ncc3c2CCNC3)no1 ZINC000019770859 212063554 /nfs/dbraw/zinc/06/35/54/212063554.db2.gz KTBJPOSEACPATF-UHFFFAOYSA-N 0 3 339.399 2.476 50 0 EEAAHN CCN(C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)COC ZINC000012386202 211364352 /nfs/dbraw/zinc/36/43/52/211364352.db2.gz LVSCOZLHKBAZTE-GOSISDBHSA-N 0 3 348.487 2.445 50 0 EEAAHN Cc1c[nH]c(CN2CCC3(CCC(=O)N(C4CC4)C3)CC2)c(C)c1=O ZINC000091650894 218040090 /nfs/dbraw/zinc/04/00/90/218040090.db2.gz GKVVPUKYEDXHCJ-UHFFFAOYSA-N 0 3 343.471 2.359 50 0 EEAAHN Cc1nc([C@H]2CCCN(C(=O)CCC[NH+]3CCCCC3)C2)cc(=O)[n-]1 ZINC000095368385 218301370 /nfs/dbraw/zinc/30/13/70/218301370.db2.gz FHWYDPJIYGIMKD-INIZCTEOSA-N 0 3 346.475 2.050 50 0 EEAAHN CN(C)CCNC(=O)COc1ccc(Cl)cc1Br ZINC000006544210 210649897 /nfs/dbraw/zinc/64/98/97/210649897.db2.gz MUSIEKGEAUOVEV-UHFFFAOYSA-N 0 3 335.629 2.159 50 0 EEAAHN CCOCCCNC(=O)C1(CCO)CCN(Cc2ccccc2)CC1 ZINC000299803888 258105837 /nfs/dbraw/zinc/10/58/37/258105837.db2.gz JNCSNSLERZXRTJ-UHFFFAOYSA-N 0 3 348.487 2.194 50 0 EEAAHN CCN1CCC[C@H]1CNC(=O)c1cc2cc(OC)c(OC)cc2[nH]1 ZINC000005428049 462659951 /nfs/dbraw/zinc/65/99/51/462659951.db2.gz RCXHMFFBNAHDOE-ZDUSSCGKSA-N 0 3 331.416 2.399 50 0 EEAAHN Cn1nccc1C(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000006699321 462698705 /nfs/dbraw/zinc/69/87/05/462698705.db2.gz KBKUQVUEAIEWRT-UHFFFAOYSA-N 0 3 328.460 2.147 50 0 EEAAHN Cn1ccnc1SCCNc1ncnc2sc3c(c21)CCNC3 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COC(=O)C1=C(CN2CCCCC2)NC(=O)N[C@@H]1c1ccccc1C ZINC000020051461 463024410 /nfs/dbraw/zinc/02/44/10/463024410.db2.gz HAAYOTPTXBLMDJ-QGZVFWFLSA-N 0 3 343.427 2.262 50 0 EEAAHN Cc1ccccc1CN1CCCN(C(=O)c2ccn(C)c(=O)c2)CC1 ZINC000027390354 463191118 /nfs/dbraw/zinc/19/11/18/463191118.db2.gz VXFGRTGGLQCFGI-UHFFFAOYSA-N 0 3 339.439 2.042 50 0 EEAAHN COc1ccc(-c2n[nH]cc2CNCCN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000030663585 463308550 /nfs/dbraw/zinc/30/85/50/463308550.db2.gz BAMCNBNLDAMCCJ-HUUCEWRRSA-N 0 3 344.459 2.284 50 0 EEAAHN C[C@H](C(=O)N1CCC(C)CC1)N1CC[C@H](CNc2ccccn2)C1 ZINC000097200561 463346109 /nfs/dbraw/zinc/34/61/09/463346109.db2.gz HVLUOIKFCLSTED-IAGOWNOFSA-N 0 3 330.476 2.462 50 0 EEAAHN Cc1noc(C)c1CS(=O)(=O)C(C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000036393432 463437444 /nfs/dbraw/zinc/43/74/44/463437444.db2.gz VHCNVRRYSCSFMY-UHIISALHSA-N 0 3 342.461 2.099 50 0 EEAAHN COc1ccsc1C(=O)N[C@@H]1CCN(C[C@@H]2CCCO2)C[C@@H]1C ZINC000108081254 463589694 /nfs/dbraw/zinc/58/96/94/463589694.db2.gz 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/nfs/dbraw/zinc/80/98/45/785809845.db2.gz CHAJPBOUXZBMDW-SFHVURJKSA-N 0 3 330.472 2.446 50 0 EEAAHN COc1cc(C)ccc1S(=O)(=O)NC[C@H](C(C)C)N1CCCC1 ZINC000824541276 800272549 /nfs/dbraw/zinc/27/25/49/800272549.db2.gz PMCFLEQYPBJZOT-OAHLLOKOSA-N 0 3 340.489 2.402 50 0 EEAAHN C[NH+](C)CCCN[C@H](CC(=O)Nc1ccc2ccccc2c1)C(=O)[O-] ZINC000054435390 214238379 /nfs/dbraw/zinc/23/83/79/214238379.db2.gz KFHOSMHGVIXCOR-QGZVFWFLSA-N 0 3 343.427 2.163 50 0 EEAAHN CCOC(=O)C1C(CN2CCCC2)=NC(=O)N[C@H]1c1cccc(F)c1 ZINC000067287224 215129516 /nfs/dbraw/zinc/12/95/16/215129516.db2.gz WMGJWMIDYNWXHC-INIZCTEOSA-N 0 3 347.390 2.093 50 0 EEAAHN Cc1nnsc1C(=O)NCC[C@@H]1CCCN(Cc2ccco2)C1 ZINC000067723623 215194523 /nfs/dbraw/zinc/19/45/23/215194523.db2.gz FJYGAROSNUDTPS-ZDUSSCGKSA-N 0 3 334.445 2.472 50 0 EEAAHN CCN1CCC[C@H](CNC(=O)c2cn(C)c3ccc(C)cc3c2=O)C1 ZINC000067895545 215243652 /nfs/dbraw/zinc/24/36/52/215243652.db2.gz JQAIIGCRLLOWET-OAHLLOKOSA-N 0 3 341.455 2.309 50 0 EEAAHN COc1cccc(NC(=O)NCCNc2cc(N(C)C)nc(C)n2)c1 ZINC000036708083 213110690 /nfs/dbraw/zinc/11/06/90/213110690.db2.gz JBCGMRAQTXULCE-UHFFFAOYSA-N 0 3 344.419 2.093 50 0 EEAAHN CN(C)C[C@]1(O)CCCN(C(=O)Cc2cccc3ccccc32)C1 ZINC000072154969 216043692 /nfs/dbraw/zinc/04/36/92/216043692.db2.gz BCNFMWLBZAKSJE-HXUWFJFHSA-N 0 3 326.440 2.297 50 0 EEAAHN COc1ccccc1[C@H]1CN(c2noc(C)n2)[C@H]2[C@@H]1N1CCC2CC1 ZINC000072165338 216054364 /nfs/dbraw/zinc/05/43/64/216054364.db2.gz VKQPJFYZZRNGLZ-KBAYOESNSA-N 0 3 340.427 2.453 50 0 EEAAHN CNC(=O)c1ccc(-c2cc(NCCN(C)C)nc3[nH]ccc32)o1 ZINC000072167041 216056726 /nfs/dbraw/zinc/05/67/26/216056726.db2.gz RUUALYOVPPYGJX-UHFFFAOYSA-N 0 3 327.388 2.156 50 0 EEAAHN CN1CCC(N(Cc2cccnc2)C(=O)Cc2cccc(O)c2)CC1 ZINC000072419143 216207335 /nfs/dbraw/zinc/20/73/35/216207335.db2.gz OJVRIQINNORDCF-UHFFFAOYSA-N 0 3 339.439 2.453 50 0 EEAAHN Cc1ccc(NC(=O)CNCC(C)(C)N2CCOCC2)c(Cl)c1 ZINC000023625002 212386257 /nfs/dbraw/zinc/38/62/57/212386257.db2.gz XMBIGLLWXCKFAI-UHFFFAOYSA-N 0 3 339.867 2.287 50 0 EEAAHN COCCN1CCC(CNC(=O)COc2ccc(Cl)cc2)CC1 ZINC000023127917 212352868 /nfs/dbraw/zinc/35/28/68/212352868.db2.gz YCAYFXWYYCGLSE-UHFFFAOYSA-N 0 3 340.851 2.193 50 0 EEAAHN Cc1nn(C)c(Cl)c1CN1CCN(CCC(C)C)[C@@H](CCO)C1 ZINC000022932843 212336778 /nfs/dbraw/zinc/33/67/78/212336778.db2.gz AWKBLTNZHCBRKV-HNNXBMFYSA-N 0 3 342.915 2.297 50 0 EEAAHN CSc1ccc(CC(=O)N2CCN(C3CCN(C)CC3)CC2)cc1 ZINC000215856484 241150034 /nfs/dbraw/zinc/15/00/34/241150034.db2.gz QCHFMVFEVYNBEX-UHFFFAOYSA-N 0 3 347.528 2.189 50 0 EEAAHN COCCN(Cc1cccc(OC)c1)C(=O)NC[C@@H]1CCCCN1C ZINC000426425473 241284644 /nfs/dbraw/zinc/28/46/44/241284644.db2.gz QLCHNFZNKBZAPG-KRWDZBQOSA-N 0 3 349.475 2.338 50 0 EEAAHN CN(C)[C@@H]1CCN(CC(=O)NCc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000244874978 243093472 /nfs/dbraw/zinc/09/34/72/243093472.db2.gz XKJQFQDHIMWYCN-CQSZACIVSA-N 0 3 347.356 2.097 50 0 EEAAHN CCN1CCC[C@@H]1CNC(=O)c1nc(-c2ccc3[nH]ccc3c2)no1 ZINC000012391435 211366980 /nfs/dbraw/zinc/36/69/80/211366980.db2.gz ICNSGXVLGCIEOB-CQSZACIVSA-N 0 3 339.399 2.432 50 0 EEAAHN CC(C)=CCN1CCc2nnc([C@@H](C)NC(=O)c3ccco3)n2CC1 ZINC000012048645 211283073 /nfs/dbraw/zinc/28/30/73/211283073.db2.gz FIINPPJPMOVNJM-CQSZACIVSA-N 0 3 343.431 2.186 50 0 EEAAHN CCN1CCN(C(=O)C2CCN(Cc3ccccc3OC)CC2)CC1 ZINC000009659837 211111672 /nfs/dbraw/zinc/11/16/72/211111672.db2.gz DBJNAUMMCHVWSA-UHFFFAOYSA-N 0 3 345.487 2.071 50 0 EEAAHN CCO[C@@H]1C[C@@H](O)C12CCN(Cc1c(CC)nn(C)c1CC)CC2 ZINC000093614527 218236329 /nfs/dbraw/zinc/23/63/29/218236329.db2.gz HWDIFFNVTDGDLS-QZTJIDSGSA-N 0 3 335.492 2.297 50 0 EEAAHN CC(C)[C@@H](N)C(=O)N1CCN(C(=O)C[C@@H](C)CC(C)(C)C)[C@H](C)C1 ZINC000004955556 210339174 /nfs/dbraw/zinc/33/91/74/210339174.db2.gz HZQRNMNPKLAHMS-BFYDXBDKSA-N 0 3 339.524 2.491 50 0 EEAAHN Cc1c(CNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)cnn1C ZINC000119503759 221335888 /nfs/dbraw/zinc/33/58/88/221335888.db2.gz CCOHKICFYOVHLF-SFHVURJKSA-N 0 3 341.459 2.192 50 0 EEAAHN O=C(CCN1CCOCC1)NC[C@H](c1ccccc1)N1CCCCC1 ZINC000299778541 258088343 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/nfs/dbraw/zinc/16/33/13/203163313.db2.gz ZOOCXHULGDWPPB-UHFFFAOYSA-N 0 3 349.494 2.444 50 0 EEAAHN COc1cccc(OCCCN2CCC[C@@]3(CN(C)C(=O)O3)C2)c1 ZINC000072153222 203174761 /nfs/dbraw/zinc/17/47/61/203174761.db2.gz QXPVDMROCZAZCZ-GOSISDBHSA-N 0 3 334.416 2.381 50 0 EEAAHN CCOc1ccc(C(=O)NCc2c(C)ncc3c2CCNC3)cc1 ZINC000072468285 203229097 /nfs/dbraw/zinc/22/90/97/203229097.db2.gz ZJPLGENCTKZPIV-UHFFFAOYSA-N 0 3 325.412 2.364 50 0 EEAAHN Cn1c(CN2CCCC2)nnc1[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000072410490 203217680 /nfs/dbraw/zinc/21/76/80/203217680.db2.gz VAJMGAUOCXLLNE-QGZVFWFLSA-N 0 3 340.475 2.186 50 0 EEAAHN CCOCCN1CCC[C@]2(CCC(=O)N(Cc3ccccn3)C2)C1 ZINC000072428909 203222628 /nfs/dbraw/zinc/22/26/28/203222628.db2.gz JGIJVPJRZBRUCV-IBGZPJMESA-N 0 3 331.460 2.323 50 0 EEAAHN COc1ccc(CCn2ccnc2-c2cc3n(n2)CCCNC3)cc1 ZINC000072429336 203223289 /nfs/dbraw/zinc/22/32/89/203223289.db2.gz UIRXQHLYSIWFDM-UHFFFAOYSA-N 0 3 337.427 2.491 50 0 EEAAHN CN(CCN1CCCCCC1)C(=O)[C@@H]1CCN(c2ccccc2)C1=O 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/nfs/dbraw/zinc/03/19/67/463031967.db2.gz WCJIUBBYOBNYMJ-CYBMUJFWSA-N 0 3 339.399 2.250 50 0 EEAAHN CCCN1CCC[C@H](CNC(=O)c2cn(C)c3ccccc3c2=O)C1 ZINC000067773171 463049636 /nfs/dbraw/zinc/04/96/36/463049636.db2.gz SITGAXWHXNOUNX-OAHLLOKOSA-N 0 3 341.455 2.390 50 0 EEAAHN Cc1nc(CN2CCC[C@@H](CCNC(=O)c3cncs3)C2)c[nH]1 ZINC000067804483 463053567 /nfs/dbraw/zinc/05/35/67/463053567.db2.gz OGWVIDHGGPQWCS-ZDUSSCGKSA-N 0 3 333.461 2.207 50 0 EEAAHN Cc1ncc(CN2CCC[C@@H](CCNC(=O)c3cncs3)C2)[nH]1 ZINC000067804483 463053572 /nfs/dbraw/zinc/05/35/72/463053572.db2.gz OGWVIDHGGPQWCS-ZDUSSCGKSA-N 0 3 333.461 2.207 50 0 EEAAHN Cc1nc(C2CCN(C(=O)CCC[NH+]3CCCCC3)CC2)cc(=O)[n-]1 ZINC000095357974 463068329 /nfs/dbraw/zinc/06/83/29/463068329.db2.gz MGFNDKBPENCLNQ-UHFFFAOYSA-N 0 3 346.475 2.050 50 0 EEAAHN CCN1CCC[C@@H]1Cn1ncc(N2CCc3ccccc3C2)cc1=O ZINC000095390887 463073342 /nfs/dbraw/zinc/07/33/42/463073342.db2.gz JBIMKDRBZZYRNE-GOSISDBHSA-N 0 3 338.455 2.290 50 0 EEAAHN CC(C)[C@H](CNc1ccc2nnnn2n1)N1CCc2ccccc2C1 ZINC000026727871 463169961 /nfs/dbraw/zinc/16/99/61/463169961.db2.gz FOFFKEHRRSOIMD-INIZCTEOSA-N 0 3 337.431 2.014 50 0 EEAAHN CNc1ncc(C(=O)NCCN2CCC[C@H](c3ccccc3)C2)cn1 ZINC000096164664 463193296 /nfs/dbraw/zinc/19/32/96/463193296.db2.gz KEUCYOXPIOGNJQ-INIZCTEOSA-N 0 3 339.443 2.128 50 0 EEAAHN OC1(Cn2ccnc2)CCN(Cc2ccc(-c3cc[nH]n3)s2)CC1 ZINC000097137266 463332717 /nfs/dbraw/zinc/33/27/17/463332717.db2.gz LGVRMAMETFRCQQ-UHFFFAOYSA-N 0 3 343.456 2.362 50 0 EEAAHN COc1ccc(CN2CCN(C3CCOCC3)C[C@H]2CCO)cc1C ZINC000104451171 463415364 /nfs/dbraw/zinc/41/53/64/463415364.db2.gz UILAWWXERQNVBG-LJQANCHMSA-N 0 3 348.487 2.051 50 0 EEAAHN CN1CCN(c2nccs2)C[C@]12CCC(=O)N(CC1CC1)CC2 ZINC000107416382 463570551 /nfs/dbraw/zinc/57/05/51/463570551.db2.gz MPJOLYZSTIZUGS-QGZVFWFLSA-N 0 3 334.489 2.056 50 0 EEAAHN CN(CC(=O)N[C@H](CCn1cncn1)c1ccccc1)C1CCCC1 ZINC000220375448 464117335 /nfs/dbraw/zinc/11/73/35/464117335.db2.gz GPZQRWGISYUSNQ-GOSISDBHSA-N 0 3 341.459 2.400 50 0 EEAAHN CN(C)Cc1ccccc1CN(C)c1cc([C@@H]2CCOC2)nc(N)n1 ZINC000426534130 467143273 /nfs/dbraw/zinc/14/32/73/467143273.db2.gz XCBUBDCQZKZNBI-MRXNPFEDSA-N 0 3 341.459 2.261 50 0 EEAAHN CCCN1CC[C@H](NC(=O)N(C)Cc2nnc(-c3ccccc3)o2)C1 ZINC000584891256 468956214 /nfs/dbraw/zinc/95/62/14/468956214.db2.gz MEAYTIKGPPXJPO-HNNXBMFYSA-N 0 3 343.431 2.362 50 0 EEAAHN COCCN(Cc1ccccc1Cl)C(=O)NC[C@H](C)N(C)C ZINC000584889042 468956871 /nfs/dbraw/zinc/95/68/71/468956871.db2.gz ORRRBBHPYPZNOI-ZDUSSCGKSA-N 0 3 327.856 2.448 50 0 EEAAHN Cc1nc([C@H](C)NC2CCN(C(=O)c3cnccn3)CC2)cs1 ZINC000584902839 468960944 /nfs/dbraw/zinc/96/09/44/468960944.db2.gz WCZDFUHLFYAYRC-NSHDSACASA-N 0 3 331.445 2.197 50 0 EEAAHN O=C(NC[C@@H]1CCCN(CCO)C1)N1CC=C(c2ccccc2)CC1 ZINC000534634353 485548924 /nfs/dbraw/zinc/54/89/24/485548924.db2.gz OFVQGPROOYKCNT-KRWDZBQOSA-N 0 3 343.471 2.190 50 0 EEAAHN Cc1cccnc1CC(=O)N(Cc1ccncc1)C1CCN(C)CC1 ZINC001506407631 1114598177 /nfs/dbraw/zinc/59/81/77/1114598177.db2.gz 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