smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)[C@H]1CCN(C(=O)CC2c3ccccc3CCc3ccccc32)C1 ZINC000011661520 282261086 /nfs/dbraw/zinc/26/10/86/282261086.db2.gz PGUVELJEOLYVTL-IBGZPJMESA-N 0 3 348.490 3.470 50 0 EGAAHN CCN1CCC(n2nccc2NC(=O)Nc2cccc(F)c2)CC1 ZINC000019224000 202001531 /nfs/dbraw/zinc/00/15/31/202001531.db2.gz XJYUIKIBWLWOGL-UHFFFAOYSA-N 0 3 331.395 3.323 50 0 EGAAHN FC(F)(F)c1cccc(OC2CCN(CCn3cccn3)CC2)c1 ZINC000020598113 202050198 /nfs/dbraw/zinc/05/01/98/202050198.db2.gz MZRSEQYPNBYJBH-UHFFFAOYSA-N 0 3 339.361 3.445 50 0 EGAAHN Clc1ccc2nc(CN3CCC[C@H](N4CCOCC4)C3)ccc2c1 ZINC000020599715 202050219 /nfs/dbraw/zinc/05/02/19/202050219.db2.gz AFHPIGOAXYFGFY-SFHVURJKSA-N 0 3 345.874 3.185 50 0 EGAAHN CN(Cc1ccccc1)[C@@H]1CCCN(Cc2ccc3nonc3c2)C1 ZINC000023373289 202103099 /nfs/dbraw/zinc/10/30/99/202103099.db2.gz YPWDMHLBWXWMFV-GOSISDBHSA-N 0 3 336.439 3.319 50 0 EGAAHN Cc1c2ccccc2[nH]c1CN1CCN(CC(C)(C)C)[C@H](CCO)C1 ZINC000036379398 202324234 /nfs/dbraw/zinc/32/42/34/202324234.db2.gz HDHBLVUOVNXRSB-QGZVFWFLSA-N 0 3 343.515 3.391 50 0 EGAAHN COc1ccc(CN[C@@H](C)[C@@H]2COc3ccccc3O2)c(OC)c1 ZINC000000189266 201357467 /nfs/dbraw/zinc/35/74/67/201357467.db2.gz AWPDVLXZHUFYBN-DJJJIMSYSA-N 0 3 329.396 3.022 50 0 biogenic EGAAHN COc1ccc(CN(C)[C@@H](C)c2ccon2)cc1CN1CCCC1 ZINC000215159901 241108963 /nfs/dbraw/zinc/10/89/63/241108963.db2.gz NBTNQNGTIDJYCZ-HNNXBMFYSA-N 0 3 329.444 3.472 50 0 EGAAHN CN(C)c1ccc(C(=O)N2[C@@H]3CC[C@H]2CN(C)CC3)c2ccccc21 ZINC000219625469 241399435 /nfs/dbraw/zinc/39/94/35/241399435.db2.gz KQZBOKRBKZEYJE-CVEARBPZSA-N 0 3 337.467 3.215 50 0 EGAAHN O=C(c1ccccn1)[C@@H]1CCCN(CCn2cnc3ccccc32)C1 ZINC000244715782 243062000 /nfs/dbraw/zinc/06/20/00/243062000.db2.gz LCEAGOKWLMXSOR-MRXNPFEDSA-N 0 3 334.423 3.026 50 0 EGAAHN COc1cc(CNCCO)ccc1OCc1ccc(F)cc1Cl ZINC000006704013 201691467 /nfs/dbraw/zinc/69/14/67/201691467.db2.gz CFNIXCWKDZESFJ-UHFFFAOYSA-N 0 3 339.794 3.149 50 0 EGAAHN CCn1cc(CN2CCC[C@@H](N3CCCC3=O)C2)c2ccccc21 ZINC000071767870 203112000 /nfs/dbraw/zinc/11/20/00/203112000.db2.gz FNFLEQLKWTZJRK-QGZVFWFLSA-N 0 3 325.456 3.248 50 0 EGAAHN CC[C@@H]1CN(CCc2ccccn2)CCC(=O)N1Cc1ccccc1 ZINC000071749168 203106069 /nfs/dbraw/zinc/10/60/69/203106069.db2.gz LFFXUKAPYOJDNS-HXUWFJFHSA-N 0 3 337.467 3.137 50 0 EGAAHN c1ccc(OCCN(Cc2cccnc2)[C@H]2CN3CCC2CC3)cc1 ZINC000072148334 203171861 /nfs/dbraw/zinc/17/18/61/203171861.db2.gz ADRLUVKDYYJPLJ-NRFANRHFSA-N 0 3 337.467 3.057 50 0 EGAAHN Cc1nc([C@H]2CCC[N@H+](Cc3ccnc4ccccc34)C2)cc(=O)[n-]1 ZINC000072155004 203174836 /nfs/dbraw/zinc/17/48/36/203174836.db2.gz IBODSAFBHXBEPX-INIZCTEOSA-N 0 3 334.423 3.006 50 0 EGAAHN Cc1nc([C@H]2CCC[N@@H+](Cc3ccnc4ccccc34)C2)cc(=O)[n-]1 ZINC000072155004 203174838 /nfs/dbraw/zinc/17/48/38/203174838.db2.gz IBODSAFBHXBEPX-INIZCTEOSA-N 0 3 334.423 3.006 50 0 EGAAHN Cc1cnn(CCCN2CCC[C@H](C(=O)Cc3ccccc3)C2)c1 ZINC000072159373 203176041 /nfs/dbraw/zinc/17/60/41/203176041.db2.gz KKKSHLXBWFLKGF-IBGZPJMESA-N 0 3 325.456 3.105 50 0 EGAAHN Cc1cc(N2CCC[C@H](CCc3ccc(F)cc3F)C2)nc(N)n1 ZINC000072408409 203216379 /nfs/dbraw/zinc/21/63/79/203216379.db2.gz UUKZPTFZWMVSSE-CYBMUJFWSA-N 0 3 332.398 3.495 50 0 EGAAHN Cc1nccn1CC[C@@H]1CCCCN1Cc1ccc2c(c1)OCCO2 ZINC000077356688 203383356 /nfs/dbraw/zinc/38/33/56/203383356.db2.gz ZQRNGPYYWPQDPQ-SFHVURJKSA-N 0 3 341.455 3.408 50 0 EGAAHN Cc1ccc([C@@H]2CN(C(=O)CCc3ccco3)C[C@H]2N(C)C)cc1 ZINC000077408428 203387413 /nfs/dbraw/zinc/38/74/13/203387413.db2.gz KBNUNTWVSPKXDH-RBUKOAKNSA-N 0 3 326.440 3.077 50 0 EGAAHN Cc1ccc(CN(CCN(C)C)C(=O)c2cnn(C(C)C)c2)s1 ZINC000102541089 204040053 /nfs/dbraw/zinc/04/00/53/204040053.db2.gz CXUQMVREGKKRCJ-UHFFFAOYSA-N 0 3 334.489 3.038 50 0 EGAAHN O=C(N[C@@H]1CCCN(C2CCCC2)C1)c1cccc(-c2ncc[nH]2)c1 ZINC000299760335 258077042 /nfs/dbraw/zinc/07/70/42/258077042.db2.gz QHFVEFRMDQOGSO-QGZVFWFLSA-N 0 3 338.455 3.214 50 0 EGAAHN COc1cccc(C(=O)NCCN2CC[C@H](c3ccccc3C)C2)c1 ZINC000240662381 278007601 /nfs/dbraw/zinc/00/76/01/278007601.db2.gz PKNFKKOJNHFPGT-SFHVURJKSA-N 0 3 338.451 3.223 50 0 EGAAHN CN(C)Cc1ccc([C@H]2CCCCN2C(=O)Cc2cccnc2)cc1 ZINC000077353699 289224764 /nfs/dbraw/zinc/22/47/64/289224764.db2.gz XZMJHKPRYQIIGC-HXUWFJFHSA-N 0 3 337.467 3.440 50 0 EGAAHN COc1cc(Cl)c(CN2CC(N3CCCC[C@H]3C)C2)cc1OC ZINC000240163552 455263846 /nfs/dbraw/zinc/26/38/46/455263846.db2.gz JBXBQMBRPRLAEJ-CYBMUJFWSA-N 0 3 338.879 3.416 50 0 EGAAHN COc1ccc(CN2CCC[C@H](C(=O)N3CCCCCC3)C2)cc1 ZINC000000212095 452537176 /nfs/dbraw/zinc/53/71/76/452537176.db2.gz BXUMZSCTKAQEKH-SFHVURJKSA-N 0 3 330.472 3.310 50 0 EGAAHN COc1cc(OC)cc(C(=O)N2CCN([C@@H]3CCC[C@@H](C)C3)CC2)c1 ZINC000000239852 452544369 /nfs/dbraw/zinc/54/43/69/452544369.db2.gz YLTGSPQHHXLLCQ-NVXWUHKLSA-N 0 3 346.471 3.040 50 0 EGAAHN CCCOc1ccc(N2C(=O)C[C@H](NC3CCCCC3)C2=O)cc1 ZINC000002320223 452692425 /nfs/dbraw/zinc/69/24/25/452692425.db2.gz SQSCYMPIEOYBBS-KRWDZBQOSA-N 0 3 330.428 3.030 50 0 EGAAHN CCOc1cc(CNCCO)cc(Cl)c1OCc1ccccc1 ZINC000002845522 452730600 /nfs/dbraw/zinc/73/06/00/452730600.db2.gz BQEDEKUZTKIWNL-UHFFFAOYSA-N 0 3 335.831 3.400 50 0 EGAAHN CN(C)CCN1C(=O)c2ccc(Cl)c3c(Cl)ccc(c23)C1=O ZINC000005319060 452859096 /nfs/dbraw/zinc/85/90/96/452859096.db2.gz AXGKNGDSLDTMAL-UHFFFAOYSA-N 0 3 337.206 3.304 50 0 EGAAHN CCOC(=O)[C@@H]1CCCN(CCCOc2cccc(Cl)c2)C1 ZINC000006703222 452974406 /nfs/dbraw/zinc/97/44/06/452974406.db2.gz ODZMSERAZVSQKF-CQSZACIVSA-N 0 3 325.836 3.384 50 0 EGAAHN COc1cccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)c1 ZINC000006731609 452978499 /nfs/dbraw/zinc/97/84/99/452978499.db2.gz GPUAFMFVGCEDQL-UHFFFAOYSA-N 0 3 339.439 3.481 50 0 EGAAHN CCOC(=O)[C@]1(Cc2ccccc2)CCCN(Cc2[nH]cnc2C)C1 ZINC000011934713 453339702 /nfs/dbraw/zinc/33/97/02/453339702.db2.gz PKXLKSVQUWHYJE-FQEVSTJZSA-N 0 3 341.455 3.106 50 0 EGAAHN CCN(CCn1cccn1)Cc1cn(C)nc1-c1cccc(Cl)c1 ZINC000012057644 453341974 /nfs/dbraw/zinc/34/19/74/453341974.db2.gz RMGHOFSZMZIASE-UHFFFAOYSA-N 0 3 343.862 3.459 50 0 EGAAHN OCCOc1ccccc1CN1CCC[C@H](Nc2ccc(F)cc2)C1 ZINC000014980475 453549314 /nfs/dbraw/zinc/54/93/14/453549314.db2.gz MSCYHVWPIXHPBB-IBGZPJMESA-N 0 3 344.430 3.273 50 0 EGAAHN CCOC(=O)[C@@H]1CCCN(CCCOc2ccccc2Cl)C1 ZINC000016527055 453611063 /nfs/dbraw/zinc/61/10/63/453611063.db2.gz JZFBWTAJYYSSFX-CQSZACIVSA-N 0 3 325.836 3.384 50 0 EGAAHN CN1CC[C@H](NC2CCN(c3ccc(-c4ccccc4)cc3)CC2)C1=O ZINC000023399433 453709823 /nfs/dbraw/zinc/70/98/23/453709823.db2.gz JZRIUSPZRHAYCG-NRFANRHFSA-N 0 3 349.478 3.143 50 0 EGAAHN C[C@@H](CO)NCc1cccnc1Oc1cccc(C(F)(F)F)c1 ZINC000067673014 453955293 /nfs/dbraw/zinc/95/52/93/453955293.db2.gz HTGMEWVOFUQEHC-NSHDSACASA-N 0 3 326.318 3.363 50 0 EGAAHN CC(C)n1ccc(CN2CC[C@@H](CNC(=O)c3cccc(O)c3)C2)c1 ZINC000067739457 453961331 /nfs/dbraw/zinc/96/13/31/453961331.db2.gz GZHQKOQDFCOHAF-INIZCTEOSA-N 0 3 341.455 3.027 50 0 EGAAHN Cc1ccc(C)c(C[N@@H+]2CC[C@H](CNC(=O)c3ccc([O-])cc3)C2)c1 ZINC000067741126 453961741 /nfs/dbraw/zinc/96/17/41/453961741.db2.gz WRWWIVFWXQKMPO-QGZVFWFLSA-N 0 3 338.451 3.261 50 0 EGAAHN Cc1ccc(C)c(C[N@H+]2CC[C@H](CNC(=O)c3ccc([O-])cc3)C2)c1 ZINC000067741126 453961744 /nfs/dbraw/zinc/96/17/44/453961744.db2.gz WRWWIVFWXQKMPO-QGZVFWFLSA-N 0 3 338.451 3.261 50 0 EGAAHN Cc1cccc2[nH]c([C@@H]3CCCN(Cc4ccc(CO)o4)C3)nc21 ZINC000067847173 453972332 /nfs/dbraw/zinc/97/23/32/453972332.db2.gz WMTIYFVTIUUDTP-CQSZACIVSA-N 0 3 325.412 3.336 50 0 EGAAHN Cc1cccc2nc([C@@H]3CCCN(Cc4ccc(CO)o4)C3)[nH]c21 ZINC000067847173 453972337 /nfs/dbraw/zinc/97/23/37/453972337.db2.gz WMTIYFVTIUUDTP-CQSZACIVSA-N 0 3 325.412 3.336 50 0 EGAAHN COc1ccc(NC(=O)[C@H](N)C2CCCCC2)c(NC(=O)C(C)C)c1 ZINC000055269548 453973710 /nfs/dbraw/zinc/97/37/10/453973710.db2.gz LHDVNISWAIXKAM-QGZVFWFLSA-N 0 3 347.459 3.136 50 0 EGAAHN Cc1ccc2c(cc(CN3CC[C@@H](CNC(=O)CC4CC4)C3)n2C)c1 ZINC000067893970 453978175 /nfs/dbraw/zinc/97/81/75/453978175.db2.gz PABNWWDTSQIWEU-KRWDZBQOSA-N 0 3 339.483 3.225 50 0 EGAAHN CC[C@@H](C)Oc1ccc(CNCCc2nncn2CC)cc1Cl ZINC000055359001 453978351 /nfs/dbraw/zinc/97/83/51/453978351.db2.gz BECGNZLUXMIQPV-CYBMUJFWSA-N 0 3 336.867 3.461 50 0 EGAAHN Cc1cc(C)c(S(=O)(=O)NCCCN2CCC[C@@H](C)C2)c(C)c1 ZINC000058178578 454168340 /nfs/dbraw/zinc/16/83/40/454168340.db2.gz JKBWTGPHBINSKU-CQSZACIVSA-N 0 3 338.517 3.012 50 0 EGAAHN COc1ccc([C@@H]2CN(c3nccs3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095374077 454198908 /nfs/dbraw/zinc/19/89/08/454198908.db2.gz PRUTVJBJFIDVAQ-RCCFBDPRSA-N 0 3 341.480 3.218 50 0 EGAAHN COC[C@@H]1CCCN1C(=O)Nc1ccccc1CN1CCCCC1 ZINC000095524845 454227816 /nfs/dbraw/zinc/22/78/16/454227816.db2.gz DNRVLKWYZQOVEH-KRWDZBQOSA-N 0 3 331.460 3.315 50 0 EGAAHN COc1c(C)cnc(CN2CCCC[C@@H]2CCN2CCCC2=O)c1C ZINC000072156579 454272866 /nfs/dbraw/zinc/27/28/66/454272866.db2.gz IELRRRFHEJYPQW-QGZVFWFLSA-N 0 3 345.487 3.074 50 0 EGAAHN Cc1cc(N2CCC[C@H](CCc3c(F)cccc3F)C2)nc(N)n1 ZINC000072422119 454295825 /nfs/dbraw/zinc/29/58/25/454295825.db2.gz YNKPUTNHLKFJKE-CYBMUJFWSA-N 0 3 332.398 3.495 50 0 EGAAHN CN1CCCCC[C@H]1C(=O)NCCc1cccc(C(F)(F)F)c1 ZINC000097155801 454416977 /nfs/dbraw/zinc/41/69/77/454416977.db2.gz DZKJQQHJLNJXSV-HNNXBMFYSA-N 0 3 328.378 3.239 50 0 EGAAHN O=C(C1CCC1)N1C[C@@H]2CC[C@H](C1)N(Cc1ccc3[nH]ccc3c1)C2 ZINC000091504363 454441908 /nfs/dbraw/zinc/44/19/08/454441908.db2.gz QNKUIPPCJNWJDU-VQIMIIECSA-N 0 3 337.467 3.391 50 0 EGAAHN Cc1ccc([C@@H](C)CC[NH+]2CCC(c3cc(=O)[n-]c(C)n3)CC2)o1 ZINC000097766201 454446252 /nfs/dbraw/zinc/44/62/52/454446252.db2.gz ZIJVTRHMGPGKIM-ZDUSSCGKSA-N 0 3 329.444 3.353 50 0 EGAAHN CN1CCCCC[C@H]1C(=O)NCc1ccccc1OC(F)(F)F ZINC000091616784 454449949 /nfs/dbraw/zinc/44/99/49/454449949.db2.gz QHYINATZQVJKBT-ZDUSSCGKSA-N 0 3 330.350 3.076 50 0 EGAAHN CC(C)N(CCN1CCCCCC1)C(=O)Cc1cn2ccsc2n1 ZINC000063871026 454457222 /nfs/dbraw/zinc/45/72/22/454457222.db2.gz QVWQHNQQAKDUJM-UHFFFAOYSA-N 0 3 348.516 3.051 50 0 EGAAHN CC(C)n1ccnc1C1CCN(CCC(=O)Nc2nccs2)CC1 ZINC000252509583 455816967 /nfs/dbraw/zinc/81/69/67/455816967.db2.gz YQUFTVYYHTZASW-UHFFFAOYSA-N 0 3 347.488 3.129 50 0 EGAAHN CCOc1cc(CN2C[C@H]3CC[C@@H](C2)N(C)C3)c(Cl)cc1OC ZINC000215935433 456026784 /nfs/dbraw/zinc/02/67/84/456026784.db2.gz SFUDMLGMWBXEDL-ZFWWWQNUSA-N 0 3 338.879 3.273 50 0 EGAAHN CCOC(=O)c1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2CC(F)(F)F ZINC000299872864 456782184 /nfs/dbraw/zinc/78/21/84/456782184.db2.gz WEHWZLFXMFRHBE-DZGCQCFKSA-N 0 3 342.361 3.033 50 0 EGAAHN CC(C)[C@@H](NC(=O)c1ccc(-c2cnccc2N)cc1)c1nccn1C ZINC000426470813 457836965 /nfs/dbraw/zinc/83/69/65/457836965.db2.gz QTZGXGFNNXWNRH-GOSISDBHSA-N 0 3 349.438 3.022 50 0 EGAAHN CCC[C@H]1C=CCN1C(=O)NCC1(c2ccccc2)CCN(C)CC1 ZINC000426491407 457842210 /nfs/dbraw/zinc/84/22/10/457842210.db2.gz JRRBNPWRPZDKMP-IBGZPJMESA-N 0 3 341.499 3.400 50 0 EGAAHN Cc1cc(-c2ccc(C(=O)N(C)[C@@H]3CCN(C)C3)cc2)cc(C)c1O ZINC000426578885 457857291 /nfs/dbraw/zinc/85/72/91/457857291.db2.gz WPHMVSKMNNBHMC-LJQANCHMSA-N 0 3 338.451 3.452 50 0 EGAAHN Cc1nccnc1N1CC[C@@]2(C1)CCCN(Cc1ccc(F)cc1)C2 ZINC000426619986 457863456 /nfs/dbraw/zinc/86/34/56/457863456.db2.gz GBXAOEYDYIKGMP-FQEVSTJZSA-N 0 3 340.446 3.417 50 0 EGAAHN CN1CCC(N(Cc2cccnc2)C(=O)NCC2=CCCCC2)CC1 ZINC000534587797 459335513 /nfs/dbraw/zinc/33/55/13/459335513.db2.gz OFYVZTOZGANWBZ-UHFFFAOYSA-N 0 3 342.487 3.188 50 0 EGAAHN COc1ccc([C@@H]2N[C@H](c3ccc(OC)cc3)C[C@H](O)[C@H]2C)cc1 ZINC000584904434 459821431 /nfs/dbraw/zinc/82/14/31/459821431.db2.gz GTAOASWLKOJDQI-HOLAOCEGSA-N 0 3 327.424 3.477 50 0 EGAAHN Cc1nnsc1CNC(=O)c1cccc(CN2CCCCCC2)c1 ZINC000244795876 526446612 /nfs/dbraw/zinc/44/66/12/526446612.db2.gz ROYMWEADEMALLQ-UHFFFAOYSA-N 0 3 344.484 3.153 50 0 EGAAHN CN1CCC(NC(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)CC1 ZINC000062474635 546563426 /nfs/dbraw/zinc/56/34/26/546563426.db2.gz LCSIQUHYBFJOTO-UHFFFAOYSA-N 0 3 340.471 3.151 50 0 EGAAHN CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c(c1)[nH]c1c2CCCC1 ZINC000670467083 548220150 /nfs/dbraw/zinc/22/01/50/548220150.db2.gz LBKAGLUXTWSHBY-CVEARBPZSA-N 0 3 337.467 3.355 50 0 EGAAHN Cc1ncn(CCNCc2cnn(-c3ccccc3Cl)c2)c1C ZINC000952867425 1334583094 /nfs/dbraw/zinc/58/30/94/1334583094.db2.gz NCIMHUHJOMEEQI-UHFFFAOYSA-N 0 3 329.835 3.129 50 0 EGAAHN CC(C)NC(=O)c1ccc(NC(=O)[C@@H](C)N(C)C2CCCCC2)cc1 ZINC000952966528 1334626434 /nfs/dbraw/zinc/62/64/34/1334626434.db2.gz VICSPQAAABFTBV-OAHLLOKOSA-N 0 3 345.487 3.416 50 0 EGAAHN CCN1CCC[C@H]1C(=O)NCCOC12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000952968599 1334627248 /nfs/dbraw/zinc/62/72/48/1334627248.db2.gz NKEABOCEOOAKDW-MKYAEOHRSA-N 0 3 348.531 3.353 50 0 EGAAHN CN(CC(=O)Nc1ccccc1OC[C@H]1CCCO1)C1CCCC1 ZINC000952990288 1334632157 /nfs/dbraw/zinc/63/21/57/1334632157.db2.gz HSMUSVCDMZJCPX-MRXNPFEDSA-N 0 3 332.444 3.057 50 0 EGAAHN Cc1nc[nH]c1CN(CCN(C)C)C(=O)[C@@H](C)c1ccc(Cl)cc1 ZINC001704316637 1416440531 /nfs/dbraw/zinc/44/05/31/1416440531.db2.gz YABOVOLDLBYURD-ZDUSSCGKSA-N 0 3 348.878 3.065 50 0 EGAAHN Fc1ccccc1CN1CCC[C@H](NCc2cccc3c2OCO3)C1 ZINC000019840371 202022609 /nfs/dbraw/zinc/02/26/09/202022609.db2.gz YBKYVEHFDYWVGM-KRWDZBQOSA-N 0 3 342.414 3.309 50 0 EGAAHN Cc1ccccc1NC(=O)CCN1CCN(Cc2ccccc2)CC1 ZINC000019841470 202024512 /nfs/dbraw/zinc/02/45/12/202024512.db2.gz KOJXTANAHHYAPC-UHFFFAOYSA-N 0 3 337.467 3.141 50 0 EGAAHN Cc1c(Cl)cccc1-c1ccc(CNCCN2CCOCC2)o1 ZINC000020018573 202029052 /nfs/dbraw/zinc/02/90/52/202029052.db2.gz POMBIJBCDZGKNB-UHFFFAOYSA-N 0 3 334.847 3.330 50 0 EGAAHN Cc1ccc(CN2CCC(C(=O)NCCCOC(C)C)CC2)cc1 ZINC000020102918 202032231 /nfs/dbraw/zinc/03/22/31/202032231.db2.gz KMSDIYOJCPHXQE-UHFFFAOYSA-N 0 3 332.488 3.138 50 0 EGAAHN OCC[C@@H]1CN(Cc2ccc3ncccc3c2)CCN1C1CCCC1 ZINC000020535664 202047209 /nfs/dbraw/zinc/04/72/09/202047209.db2.gz AQKZRNRUTBAAAY-HXUWFJFHSA-N 0 3 339.483 3.046 50 0 EGAAHN CC(C)N1CCN(Cc2ccccc2-c2ccco2)C[C@@H]1CCO ZINC000020539862 202047886 /nfs/dbraw/zinc/04/78/86/202047886.db2.gz MAHAVLUAFFSGDV-SFHVURJKSA-N 0 3 328.456 3.224 50 0 EGAAHN CC(C)(C)CN1CCN(Cc2cc3ccccc3o2)C[C@@H]1CCO ZINC000020774217 202055198 /nfs/dbraw/zinc/05/51/98/202055198.db2.gz ZVJHESVZYATRHV-KRWDZBQOSA-N 0 3 330.472 3.348 50 0 EGAAHN CCc1ncc(CN(C)[C@H]2CCCN(Cc3ccccc3F)C2)cn1 ZINC000020782078 202055484 /nfs/dbraw/zinc/05/54/84/202055484.db2.gz BBJPWNLUDVYQLE-SFHVURJKSA-N 0 3 342.462 3.275 50 0 EGAAHN O=c1cc(C2CC[NH2+]CC2)nc(C2(c3ccccc3)CCCCC2)[n-]1 ZINC000023158699 202099179 /nfs/dbraw/zinc/09/91/79/202099179.db2.gz LMVQHQDKHHGLDE-UHFFFAOYSA-N 0 3 337.467 3.487 50 0 EGAAHN Cc1ccc(OCC(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 ZINC000027582146 202157466 /nfs/dbraw/zinc/15/74/66/202157466.db2.gz IINZPFXRQKNWPR-QGZVFWFLSA-N 0 3 344.480 3.389 50 0 EGAAHN Cc1nc(C(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)cs1 ZINC000072433126 216226669 /nfs/dbraw/zinc/22/66/69/216226669.db2.gz JYWJILVDVLGYLP-UHFFFAOYSA-N 0 3 345.512 3.178 50 0 EGAAHN O[C@@H](COc1ccc(OCc2ccccc2)cc1)CN1CCCCC1 ZINC000004197153 201055589 /nfs/dbraw/zinc/05/55/89/201055589.db2.gz DWUSGPIVURZHPP-LJQANCHMSA-N 0 3 341.451 3.491 50 0 EGAAHN CCc1nnc2n1C[C@@H](NCc1ccc(-c3ccc(F)cc3)o1)CC2 ZINC000097199499 201383533 /nfs/dbraw/zinc/38/35/33/201383533.db2.gz LGEBKZGLPDADFS-HNNXBMFYSA-N 0 3 340.402 3.344 50 0 EGAAHN Cc1nc(C2CCN(Cc3cc4cc(F)ccc4n3C)CC2)n[nH]1 ZINC000215749537 241143947 /nfs/dbraw/zinc/14/39/47/241143947.db2.gz XNIJGAQZSUTCCQ-UHFFFAOYSA-N 0 3 327.407 3.124 50 0 EGAAHN Cc1n[nH]c(C2CCN(Cc3cc4cc(F)ccc4n3C)CC2)n1 ZINC000215749537 241143963 /nfs/dbraw/zinc/14/39/63/241143963.db2.gz XNIJGAQZSUTCCQ-UHFFFAOYSA-N 0 3 327.407 3.124 50 0 EGAAHN Cc1nnc(C2CCN(Cc3nn(C)c4cccc(Cl)c34)CC2)[nH]1 ZINC000215859699 241149645 /nfs/dbraw/zinc/14/96/45/241149645.db2.gz JRPBRFLOMJXBDW-UHFFFAOYSA-N 0 3 344.850 3.033 50 0 EGAAHN CC1=CCN(Cc2ccccc2OCC(=O)N2CCC(C)CC2)CC1 ZINC000216073583 241161859 /nfs/dbraw/zinc/16/18/59/241161859.db2.gz MEDNVSSWVQUJRN-UHFFFAOYSA-N 0 3 342.483 3.476 50 0 EGAAHN c1cnc2cccc(CN3CCN(C4CCSCC4)CC3)c2c1 ZINC000215394425 241123623 /nfs/dbraw/zinc/12/36/23/241123623.db2.gz NVLIQWFRRBIPGH-UHFFFAOYSA-N 0 3 327.497 3.248 50 0 EGAAHN COc1ccccc1[C@@H]1CN(Cc2ccco2)[C@H]2[C@@H]1N1CCC2CC1 ZINC000072127176 203165540 /nfs/dbraw/zinc/16/55/40/203165540.db2.gz SQCOBLHKOOLGCJ-CEWLAPEOSA-N 0 3 338.451 3.350 50 0 EGAAHN CCCN1CCC[C@@H](Nc2nc(C3CCCC3)nc3c2cnn3C)C1 ZINC000072129784 203166463 /nfs/dbraw/zinc/16/64/63/203166463.db2.gz SUPFUCWGUSCHJQ-OAHLLOKOSA-N 0 3 342.491 3.307 50 0 EGAAHN CN(C)C(=O)CN1CCC[C@@H](CCc2cccc(C(F)(F)F)c2)C1 ZINC000072135313 203166933 /nfs/dbraw/zinc/16/69/33/203166933.db2.gz AZIXFIIROBUIAV-HNNXBMFYSA-N 0 3 342.405 3.438 50 0 EGAAHN CCCCC(=O)N1C[C@@H](c2cccc(OC)c2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072146394 203171323 /nfs/dbraw/zinc/17/13/23/203171323.db2.gz RIDTWPTXZHVANI-CEWLAPEOSA-N 0 3 342.483 3.274 50 0 EGAAHN C[C@H](c1ccc(-c2nccn2CCC(=O)N2CCCC2)cc1)N(C)C ZINC000077355580 203382208 /nfs/dbraw/zinc/38/22/08/203382208.db2.gz AAJNQKLDNQBYBT-MRXNPFEDSA-N 0 3 340.471 3.185 50 0 EGAAHN O=C(COc1ccccc1)NCC1CCN(Cc2ccsc2)CC1 ZINC000043971597 204291001 /nfs/dbraw/zinc/29/10/01/204291001.db2.gz QBFLTPDPJIISKW-UHFFFAOYSA-N 0 3 344.480 3.155 50 0 EGAAHN Cc1ncsc1CCC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000097527941 219033241 /nfs/dbraw/zinc/03/32/41/219033241.db2.gz WHEOLOGSXCTXTJ-UHFFFAOYSA-N 0 3 343.496 3.165 50 0 EGAAHN OC1(Cn2ccnc2)CCN(Cc2cc3ccccc3s2)CC1 ZINC000097528892 219033468 /nfs/dbraw/zinc/03/34/68/219033468.db2.gz WZMMAGHLXQOHFN-UHFFFAOYSA-N 0 3 327.453 3.125 50 0 EGAAHN Cc1cccc(CN2CCC[C@@H]3CN(C(=O)c4ccco4)CC[C@@H]32)n1 ZINC000299757414 258075406 /nfs/dbraw/zinc/07/54/06/258075406.db2.gz JJMDBAWZXDQWDN-AEFFLSMTSA-N 0 3 339.439 3.110 50 0 EGAAHN CN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3cccnc3)=NN12 ZINC000004811562 273872188 /nfs/dbraw/zinc/87/21/88/273872188.db2.gz FXPUZKHAUFSKGS-GOSISDBHSA-N 0 3 334.423 3.047 50 0 EGAAHN CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1NCCN(C)C ZINC000000071574 452498088 /nfs/dbraw/zinc/49/80/88/452498088.db2.gz QQRMZOYLAQDXEB-UHFFFAOYSA-N 0 3 335.835 3.347 50 0 EGAAHN CCN1CCN(c2nc(-c3ccc(OC)cc3)nc3ccccc32)CC1 ZINC000000144815 452519835 /nfs/dbraw/zinc/51/98/35/452519835.db2.gz DMRRNSZSXHPJCX-UHFFFAOYSA-N 0 3 348.450 3.447 50 0 EGAAHN COc1cccc(C(=O)N2CCN([C@@H]3CCC[C@@H](C)C3)CC2)c1OC ZINC000000239661 452544177 /nfs/dbraw/zinc/54/41/77/452544177.db2.gz MRYKBYYRAIPCLI-HZPDHXFCSA-N 0 3 346.471 3.040 50 0 EGAAHN COc1ccc(NC(=O)CCN(C)Cc2ccccc2)c(OC)c1 ZINC000000455059 452597648 /nfs/dbraw/zinc/59/76/48/452597648.db2.gz VDFVZEGLUCBROG-UHFFFAOYSA-N 0 3 328.412 3.164 50 0 EGAAHN COc1ccc([C@@H](C(=O)O[C@H](C)CN(C)C)c2ccccc2)cc1 ZINC000004101556 452792248 /nfs/dbraw/zinc/79/22/48/452792248.db2.gz AONWBQYJROPGGV-BEFAXECRSA-N 0 3 327.424 3.320 50 0 EGAAHN CCN(CC)CCSc1nnc2c3ccccc3n(CC)c2n1 ZINC000005050904 452834470 /nfs/dbraw/zinc/83/44/70/452834470.db2.gz RWXLNNVPQXDUJH-UHFFFAOYSA-N 0 3 329.473 3.433 50 0 EGAAHN COc1ccc(NC(=O)N2CCN(C3CCCCC3)CC2)cc1OC ZINC000006741979 452980258 /nfs/dbraw/zinc/98/02/58/452980258.db2.gz MKRJFKISIQSTDA-UHFFFAOYSA-N 0 3 347.459 3.186 50 0 EGAAHN COc1ccc2cc(-c3n[nH]cc3CN3CCC(O)CC3)ccc2c1 ZINC000011935776 453341134 /nfs/dbraw/zinc/34/11/34/453341134.db2.gz SYWSGLKMDBHDRX-UHFFFAOYSA-N 0 3 337.423 3.195 50 0 EGAAHN C[C@@H]1CN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)C[C@@H](C)O1 ZINC000012378337 453359620 /nfs/dbraw/zinc/35/96/20/453359620.db2.gz BTEPOPVDLPKRBZ-BRWVUGGUSA-N 0 3 338.451 3.265 50 0 EGAAHN CCc1[nH]nc(C(=O)N[C@H]2CCCN(CC3CCCCC3)C2)c1C ZINC000012439855 453362896 /nfs/dbraw/zinc/36/28/96/453362896.db2.gz ACZJBRWTUKQVFS-INIZCTEOSA-N 0 3 332.492 3.055 50 0 EGAAHN CCc1ccc2c(c1)c(C)c(C(=O)NCCN1CCCCC1)n2C ZINC000012652667 453388965 /nfs/dbraw/zinc/38/89/65/453388965.db2.gz BLJMAOZEKMNJQQ-UHFFFAOYSA-N 0 3 327.472 3.265 50 0 EGAAHN CCn1c(C)cc(O)c([C@@H](c2ccccn2)N2CCC(C)CC2)c1=O ZINC000022697393 453697423 /nfs/dbraw/zinc/69/74/23/453697423.db2.gz JSMOEWNMUMVRSE-LJQANCHMSA-N 0 3 341.455 3.099 50 0 EGAAHN O=C(CC1CCCC1)NCC1CCN(Cc2cccc(O)c2)CC1 ZINC000067650223 453953009 /nfs/dbraw/zinc/95/30/09/453953009.db2.gz DOFIGSVXWPZQMN-UHFFFAOYSA-N 0 3 330.472 3.301 50 0 EGAAHN CC(C)n1c2ccccc2nc1CN1CC[C@]2(C1)CCCN(C)C2=O ZINC000067740617 453961160 /nfs/dbraw/zinc/96/11/60/453961160.db2.gz YZSQXAKXGXGGEG-FQEVSTJZSA-N 0 3 340.471 3.062 50 0 EGAAHN CNCC(=O)N1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067805313 453968032 /nfs/dbraw/zinc/96/80/32/453968032.db2.gz WFECJIRLQRMHTI-UHFFFAOYSA-N 0 3 347.418 3.113 50 0 EGAAHN Cc1ccc(NC2(C(=O)NC[C@@H]3CCCN(C)C3)CCCC2)cc1 ZINC000067819205 453969264 /nfs/dbraw/zinc/96/92/64/453969264.db2.gz IHEJTPCTDKJRAL-KRWDZBQOSA-N 0 3 329.488 3.178 50 0 EGAAHN Cc1ncc(CN2CC[C@]3(C2)CCCN(C(=O)OCC(C)(C)C)C3)[nH]1 ZINC000067834052 453971584 /nfs/dbraw/zinc/97/15/84/453971584.db2.gz FSBZKMGZSZGEAC-IBGZPJMESA-N 0 3 348.491 3.189 50 0 EGAAHN CCCc1nc(CNC(=O)[C@H]2CCCN(Cc3ccco3)C2)cs1 ZINC000055284689 453973995 /nfs/dbraw/zinc/97/39/95/453973995.db2.gz UDQVMXDVQYAPAK-AWEZNQCLSA-N 0 3 347.484 3.217 50 0 EGAAHN CC(C)NC(=O)NC[C@H]1CCCN(Cc2cc3ccccc3[nH]2)C1 ZINC000067880096 453976280 /nfs/dbraw/zinc/97/62/80/453976280.db2.gz VRTITMXYNMDGOD-OAHLLOKOSA-N 0 3 328.460 3.088 50 0 EGAAHN Cc1cccc(CN2CC[C@H](CNC(=O)c3sccc3Cl)C2)n1 ZINC000067909479 453979645 /nfs/dbraw/zinc/97/96/45/453979645.db2.gz VAOWNYMRTBGFSL-CYBMUJFWSA-N 0 3 349.887 3.357 50 0 EGAAHN Cc1ccc(CNc2ccc(C(=O)N(C)[C@H]3CCN(C)C3)cc2)cc1 ZINC000055414180 453983914 /nfs/dbraw/zinc/98/39/14/453983914.db2.gz VJFOWVFDMUGMKN-FQEVSTJZSA-N 0 3 337.467 3.383 50 0 EGAAHN C/C=C/CC(=O)N1C[C@@H](c2ccc(OC)cc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095357249 454197545 /nfs/dbraw/zinc/19/75/45/454197545.db2.gz BOZLYPPGBKLYSM-GOBUXYIASA-N 0 3 340.467 3.050 50 0 EGAAHN Cc1nc2ncccc2c(NC[C@H]2CCCN(Cc3ccco3)C2)n1 ZINC000095363748 454197649 /nfs/dbraw/zinc/19/76/49/454197649.db2.gz FTMVKAQRFRNKJB-OAHLLOKOSA-N 0 3 337.427 3.250 50 0 EGAAHN Cc1cccc(N2CCN(CCC(=O)N3Cc4ccccc4C3)CC2)c1 ZINC000095383445 454199847 /nfs/dbraw/zinc/19/98/47/454199847.db2.gz DSBNEGQFENQYTR-UHFFFAOYSA-N 0 3 349.478 3.050 50 0 EGAAHN CC(C)c1nccn1[C@H](C)C(=O)N1CCN(C2CCCCC2)CC1 ZINC000095379552 454200393 /nfs/dbraw/zinc/20/03/93/454200393.db2.gz ABXBVHLWHBLOCR-MRXNPFEDSA-N 0 3 332.492 3.044 50 0 EGAAHN CCCn1ccnc1CNC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000095383816 454200408 /nfs/dbraw/zinc/20/04/08/454200408.db2.gz MLIHYFVZRGOXCF-UHFFFAOYSA-N 0 3 340.471 3.209 50 0 EGAAHN COc1c(CNC2CCN(c3ccccc3)CC2)c(C(C)C)nn1C ZINC000058430158 454203137 /nfs/dbraw/zinc/20/31/37/454203137.db2.gz VNFYZUKAJRQKFW-UHFFFAOYSA-N 0 3 342.487 3.311 50 0 EGAAHN CN(C)CCOc1ccc(NC(=O)Cn2ccc3ccccc32)cc1 ZINC000058492359 454208334 /nfs/dbraw/zinc/20/83/34/454208334.db2.gz SITYYGVEMWXICX-UHFFFAOYSA-N 0 3 337.423 3.220 50 0 EGAAHN N[C@H](C(=O)N1CCCC(c2ccccc2)(c2ccccc2)C1)C1CC1 ZINC000095530635 454229043 /nfs/dbraw/zinc/22/90/43/454229043.db2.gz RVDAHWSYHUHTAL-FQEVSTJZSA-N 0 3 334.463 3.332 50 0 EGAAHN CC(C)c1nccn1[C@H](C)C(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000095531483 454229216 /nfs/dbraw/zinc/22/92/16/454229216.db2.gz RTDPZGGTIGDDKE-CYBMUJFWSA-N 0 3 331.464 3.247 50 0 EGAAHN Cc1nc2cc(NC(=O)N3CC[C@@H]4CC[C@H](C3)N4C)ccc2s1 ZINC000095527138 454229514 /nfs/dbraw/zinc/22/95/14/454229514.db2.gz XUFMCCSLXLONIU-UONOGXRCSA-N 0 3 330.457 3.305 50 0 EGAAHN Clc1ccccc1-n1nc(C2CCCC2)nc1C[C@H]1CNCCO1 ZINC000096149796 454292691 /nfs/dbraw/zinc/29/26/91/454292691.db2.gz HNABMSVFIGPHSG-AWEZNQCLSA-N 0 3 346.862 3.109 50 0 EGAAHN CO[C@H](C)c1nc(CC2CCN(C)CC2)nn1CC1CCCCC1 ZINC000096148132 454293351 /nfs/dbraw/zinc/29/33/51/454293351.db2.gz ALGCACRAUBLZKQ-OAHLLOKOSA-N 0 3 334.508 3.450 50 0 EGAAHN CCCC(=O)Nc1cccc(NC(=O)N(CC)C[C@@H]2CCN(C)C2)c1 ZINC000096163707 454295720 /nfs/dbraw/zinc/29/57/20/454295720.db2.gz PQBCANCFHINOCJ-OAHLLOKOSA-N 0 3 346.475 3.231 50 0 EGAAHN COc1ccc(CN(C)C(=O)[C@H]2CCCCCN2C)c2cccnc12 ZINC000097099606 454406386 /nfs/dbraw/zinc/40/63/86/454406386.db2.gz AVRHKSDRYXTAQP-QGZVFWFLSA-N 0 3 341.455 3.076 50 0 EGAAHN CC(C)=CCN1CC2(CC1=O)CCN(Cc1cccc(C)n1)CC2 ZINC000091351129 454430253 /nfs/dbraw/zinc/43/02/53/454430253.db2.gz FFZOBFMYQGDOPK-UHFFFAOYSA-N 0 3 327.472 3.171 50 0 EGAAHN FC(F)(F)c1ccnc(NCCN2CC[C@@H](c3ccccc3)C2)n1 ZINC000091644454 454454802 /nfs/dbraw/zinc/45/48/02/454454802.db2.gz 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/nfs/dbraw/zinc/66/92/82/454669282.db2.gz FSXAHIIUDBPKFR-HXUWFJFHSA-N 0 3 339.483 3.070 50 0 EGAAHN O=C(c1cccnc1)N1CCC[C@@H]1[C@@H]1CCCN1Cc1ccccc1 ZINC000106638394 454708924 /nfs/dbraw/zinc/70/89/24/454708924.db2.gz QPYOWBBLJIDUDA-VQTJNVASSA-N 0 3 335.451 3.351 50 0 EGAAHN CC(C)(C)OC(=O)C[C@H](N)c1cncc(OCc2ccccc2)c1 ZINC000205678949 456016930 /nfs/dbraw/zinc/01/69/30/456016930.db2.gz YQNFBAAMVQNXNL-KRWDZBQOSA-N 0 3 328.412 3.392 50 0 EGAAHN CC[C@@H](NC(=O)N(C)CC1CCN(CCOC)CC1)c1ccccc1 ZINC000534574556 459334667 /nfs/dbraw/zinc/33/46/67/459334667.db2.gz UYIAUULWPKANCH-LJQANCHMSA-N 0 3 347.503 3.138 50 0 EGAAHN C[C@H](NCCn1ccnc1)c1cc2cc(Br)ccc2[nH]1 ZINC000585135062 459827900 /nfs/dbraw/zinc/82/79/00/459827900.db2.gz VWFKBSLNEOSFDT-NSHDSACASA-N 0 3 333.233 3.478 50 0 EGAAHN CCN1CCN(c2ccc(NC(=O)/C=C/c3ccccc3)cc2)CC1 ZINC000000027929 521698387 /nfs/dbraw/zinc/69/83/87/521698387.db2.gz QSYHLGFWSIUSHK-MDWZMJQESA-N 0 3 335.451 3.480 50 0 EGAAHN CCCN1CC[C@H](NC(=O)N2CCC(Cc3ccccc3)CC2)C1 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/nfs/dbraw/zinc/19/21/50/241192150.db2.gz RSRZWIOBVBJBTI-MRXNPFEDSA-N 0 3 347.418 3.018 50 0 EGAAHN Cc1ccc(-c2ccnc(NCCN3CCC[C@H](C)C3)n2)c(C)n1 ZINC000071750037 203106491 /nfs/dbraw/zinc/10/64/91/203106491.db2.gz ZSHZRPRJAUWARM-AWEZNQCLSA-N 0 3 325.460 3.299 50 0 EGAAHN CCc1[nH]c2ccc(CNC(=O)CN3C[C@@H]4CC[C@H]3C4)cc2c1C ZINC000071760357 203109361 /nfs/dbraw/zinc/10/93/61/203109361.db2.gz XHWGPLDESAIOKU-CVEARBPZSA-N 0 3 325.456 3.139 50 0 EGAAHN CCn1nc(C)c(CN2CCCN(c3ccc(F)cc3)CC2)c1C ZINC000072147123 203172056 /nfs/dbraw/zinc/17/20/56/203172056.db2.gz BIIVEGGAFTUSEH-UHFFFAOYSA-N 0 3 330.451 3.371 50 0 EGAAHN COc1cccc(-c2nccn2CCCOC2CCN(C)CC2)c1 ZINC000077356631 203383314 /nfs/dbraw/zinc/38/33/14/203383314.db2.gz RCYOPVWNZKUBJO-UHFFFAOYSA-N 0 3 329.444 3.060 50 0 EGAAHN CCOc1cccc(CN2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)c1 ZINC000077438613 203388115 /nfs/dbraw/zinc/38/81/15/203388115.db2.gz CRPCCTYACWIBKN-OAQYLSRUSA-N 0 3 342.483 3.452 50 0 EGAAHN COc1ccc2c(c1)C=C(CN1CCC[C@@H](c3cc[nH]n3)C1)CO2 ZINC000077456069 203389400 /nfs/dbraw/zinc/38/94/00/203389400.db2.gz DFNZOTQVXIJDQD-OAHLLOKOSA-N 0 3 325.412 3.074 50 0 EGAAHN Cc1cc(C(=O)NC[C@@H](c2cn(C)c3ccccc23)N(C)C)c(C)o1 ZINC000075149145 291754839 /nfs/dbraw/zinc/75/48/39/291754839.db2.gz DJDQISUETWGOBX-IBGZPJMESA-N 0 3 339.439 3.421 50 0 EGAAHN CCCc1ccc(S(=O)(=O)NCC2CCN(C(C)C)CC2)cc1 ZINC000012441432 207145323 /nfs/dbraw/zinc/14/53/23/207145323.db2.gz BXXZISWMMUEGBZ-UHFFFAOYSA-N 0 3 338.517 3.038 50 0 EGAAHN CC1=C(CCN2CC[C@@H](Nc3ncccn3)[C@H](O)C2)C(C)(C)CCC1 ZINC000299802058 258104871 /nfs/dbraw/zinc/10/48/71/258104871.db2.gz WWCBAEAAAHQPST-QZTJIDSGSA-N 0 3 344.503 3.240 50 0 EGAAHN CCN1CCC[C@@H]1CNC(=O)Nc1ccc(Cl)c2ncccc12 ZINC000299759405 258076684 /nfs/dbraw/zinc/07/66/84/258076684.db2.gz REWGSGGOTFHKOL-GFCCVEGCSA-N 0 3 332.835 3.494 50 0 EGAAHN CN(CCN1CCCC1)C(=O)N[C@H](c1ccco1)c1ccccc1 ZINC000112741263 162187421 /nfs/dbraw/zinc/18/74/21/162187421.db2.gz DNQKFUJSIFMTIK-SFHVURJKSA-N 0 3 327.428 3.106 50 0 EGAAHN C[C@H](Oc1ccccc1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000000476411 452604610 /nfs/dbraw/zinc/60/46/10/452604610.db2.gz BHLSQGCACOKKKM-KRWDZBQOSA-N 0 3 338.451 3.235 50 0 EGAAHN COc1ccc(OC)c(CNCCc2ccc(OC)c(OC)c2)c1 ZINC000002736002 452717981 /nfs/dbraw/zinc/71/79/81/452717981.db2.gz SYMAGBODNQIFAB-UHFFFAOYSA-N 0 3 331.412 3.053 50 0 EGAAHN COc1cc2c(cc1OC)[C@@H]1N(CC[C@]1(O)c1ccc(F)cc1)CC2 ZINC000004089749 452792755 /nfs/dbraw/zinc/79/27/55/452792755.db2.gz CHVNLMGGTMLHNX-PMACEKPBSA-N 0 3 343.398 3.034 50 0 biogenic EGAAHN CC(C)[NH+](CCNC(=O)c1cc(=O)c2cc(Cl)ccc2[n-]1)C(C)C ZINC000006263012 452929452 /nfs/dbraw/zinc/92/94/52/452929452.db2.gz QJDIUJFOUCBULD-UHFFFAOYSA-N 0 3 349.862 3.030 50 0 EGAAHN Cc1ccc(OCC(=O)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000010450807 453290794 /nfs/dbraw/zinc/29/07/94/453290794.db2.gz KWVQESRPEYDCAU-UHFFFAOYSA-N 0 3 338.451 3.155 50 0 EGAAHN CCN(CC)CC(=O)N[C@H](C)c1cnn(-c2ccccc2C)c1C ZINC000011816405 453335836 /nfs/dbraw/zinc/33/58/36/453335836.db2.gz LNCMEFQLRKVQMR-OAHLLOKOSA-N 0 3 328.460 3.008 50 0 EGAAHN CC(=O)N1CCC(N2CCC[C@H](C(=O)c3ccc(Cl)cc3)C2)CC1 ZINC000012225735 453350529 /nfs/dbraw/zinc/35/05/29/453350529.db2.gz FXOQZPXDMJNVQS-INIZCTEOSA-N 0 3 348.874 3.246 50 0 EGAAHN OCCN(Cc1c[nH]nc1-c1ccc(F)cc1F)Cc1ccccc1 ZINC000012443755 453362086 /nfs/dbraw/zinc/36/20/86/453362086.db2.gz RHRFJWNKBHLQMY-UHFFFAOYSA-N 0 3 343.377 3.349 50 0 EGAAHN Cc1cc(C)c(S(=O)(=O)NCCCN2CCC(C)CC2)c(C)c1 ZINC000013671078 453480730 /nfs/dbraw/zinc/48/07/30/453480730.db2.gz MAOTZDUKMTXPFK-UHFFFAOYSA-N 0 3 338.517 3.012 50 0 EGAAHN CSCC[C@H](C)N1CCc2[nH]nc(-c3ccc4c(c3)OCO4)c2C1 ZINC000015070080 453554736 /nfs/dbraw/zinc/55/47/36/453554736.db2.gz CUQDHUZBXHBUCO-LBPRGKRZSA-N 0 3 345.468 3.305 50 0 EGAAHN O=C(NC[C@H]1CCN(Cc2ccoc2)C1)c1cc2sccc2[nH]1 ZINC000067643481 453952010 /nfs/dbraw/zinc/95/20/10/453952010.db2.gz GBRGACMWWVRVJL-GFCCVEGCSA-N 0 3 329.425 3.074 50 0 EGAAHN CC(C)(C)c1cc(CN2CCN(Cc3cccc(F)c3)CC2)n[nH]1 ZINC000055036196 453957532 /nfs/dbraw/zinc/95/75/32/453957532.db2.gz WMEMKRLDEATUMK-UHFFFAOYSA-N 0 3 330.451 3.164 50 0 EGAAHN C[C@H](CNCc1cnc(-c2ccc3ccccc3c2)nc1)n1cncn1 ZINC000055054260 453959492 /nfs/dbraw/zinc/95/94/92/453959492.db2.gz FFXGTIOIDRUVCA-OAHLLOKOSA-N 0 3 344.422 3.239 50 0 EGAAHN CSc1ccc(CN(CCO)Cc2ccc3c(c2)CCO3)cc1 ZINC000055134404 453965743 /nfs/dbraw/zinc/96/57/43/453965743.db2.gz JZPYQUDOHGAYLL-UHFFFAOYSA-N 0 3 329.465 3.338 50 0 EGAAHN Cc1ccc(CN(CCN(C)C)Cc2cccc3nonc32)s1 ZINC000055254069 453973041 /nfs/dbraw/zinc/97/30/41/453973041.db2.gz VOJYFYUMTJJCMZ-UHFFFAOYSA-N 0 3 330.457 3.157 50 0 EGAAHN O=C(NCC[C@@H]1CN(C2CCCCCC2)CCO1)c1ccsc1 ZINC000067934319 453981970 /nfs/dbraw/zinc/98/19/70/453981970.db2.gz BXUUAXLCLFEREO-QGZVFWFLSA-N 0 3 336.501 3.292 50 0 EGAAHN CCc1cc(CN2C[C@H]3CC[C@@H]2CN(Cc2ccc(F)cc2)C3)on1 ZINC000095353146 454196172 /nfs/dbraw/zinc/19/61/72/454196172.db2.gz MPHJJUOEVQROGA-QFBILLFUSA-N 0 3 343.446 3.473 50 0 EGAAHN COc1c(C)cnc(CN2C[C@H]3CC[C@H](CN3CC3CCC3)C2)c1C ZINC000095366494 454197071 /nfs/dbraw/zinc/19/70/71/454197071.db2.gz GGWQCWURNNBCPR-RBUKOAKNSA-N 0 3 343.515 3.403 50 0 EGAAHN O=C1OCC2(CCN(CC3=Cc4cc(Cl)ccc4OC3)CC2)O1 ZINC000097797634 454446332 /nfs/dbraw/zinc/44/63/32/454446332.db2.gz XYAALYUAMLVAII-UHFFFAOYSA-N 0 3 335.787 3.117 50 0 EGAAHN COc1cccc(-c2nc3ccccc3n2C)c1OCCN(C)C ZINC000063857090 454455215 /nfs/dbraw/zinc/45/52/15/454455215.db2.gz AKKVNKAEKXCXSL-UHFFFAOYSA-N 0 3 325.412 3.189 50 0 EGAAHN COc1ccc(CN(CCN(C)C)Cc2ccc(C)s2)cc1O ZINC000063857430 454455579 /nfs/dbraw/zinc/45/55/79/454455579.db2.gz DWNFLUNEDDUAFW-UHFFFAOYSA-N 0 3 334.485 3.335 50 0 EGAAHN CN(CCc1ccccn1)C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000065534752 454586053 /nfs/dbraw/zinc/58/60/53/454586053.db2.gz FGXUVTOFFFMMJB-UHFFFAOYSA-N 0 3 337.467 3.382 50 0 EGAAHN NC(=O)c1ccc(OCCCN2CCCC[C@H]2c2ccccn2)cc1 ZINC000252481558 455808427 /nfs/dbraw/zinc/80/84/27/455808427.db2.gz COBUDGNWBWSZRD-IBGZPJMESA-N 0 3 339.439 3.177 50 0 EGAAHN C[C@H]1CN(C)CCCN1Cc1cnc(SCc2ccccc2)nc1 ZINC000215084254 456026282 /nfs/dbraw/zinc/02/62/82/456026282.db2.gz UTODSWFRCIKIRA-INIZCTEOSA-N 0 3 342.512 3.295 50 0 EGAAHN O=C(Nc1ccc(OCc2ccco2)cc1)N1CCN2CCC[C@H]2C1 ZINC000299769858 456780861 /nfs/dbraw/zinc/78/08/61/456780861.db2.gz NUKGZLSSAMADNN-INIZCTEOSA-N 0 3 341.411 3.171 50 0 EGAAHN [NH3+]C[C@H]1CCCN(C(=O)c2cccc(-c3ccc([O-])c(F)c3)c2)C1 ZINC000426619992 457862613 /nfs/dbraw/zinc/86/26/13/457862613.db2.gz HQTZQSPMVOZPDH-CYBMUJFWSA-N 0 3 328.387 3.009 50 0 EGAAHN C[C@@H]1CCCCN1CCNC(=O)N(C)Cc1ccc2ncccc2c1 ZINC000534581028 459335406 /nfs/dbraw/zinc/33/54/06/459335406.db2.gz CNEJVOFPIJSQQT-MRXNPFEDSA-N 0 3 340.471 3.251 50 0 EGAAHN Cc1cccc([C@H](C)NC(=O)N2CCN(C3CCCCC3)CC2)n1 ZINC000534581113 459335478 /nfs/dbraw/zinc/33/54/78/459335478.db2.gz DLVGACGZHQBDIA-INIZCTEOSA-N 0 3 330.476 3.111 50 0 EGAAHN COc1ccccc1CN(C(=O)NC[C@H](C)N(C)C)C1CCCC1 ZINC000534655117 459342690 /nfs/dbraw/zinc/34/26/90/459342690.db2.gz MWLPIPXMCDQVNB-HNNXBMFYSA-N 0 3 333.476 3.100 50 0 EGAAHN Cc1oncc1C(=O)NC[C@@H](c1csc2ccccc21)N(C)C ZINC000575618652 459986423 /nfs/dbraw/zinc/98/64/23/459986423.db2.gz ASTGINRRUFIFGT-HNNXBMFYSA-N 0 3 329.425 3.230 50 0 EGAAHN CC1(C)Cc2cc(CN3CCN(C4CCSCC4)CC3)ccc2O1 ZINC000215792800 534946417 /nfs/dbraw/zinc/94/64/17/534946417.db2.gz WOFKGMQXGWFRER-UHFFFAOYSA-N 0 3 346.540 3.413 50 0 EGAAHN CC(C)(C)c1cc(CN2CCC(OCc3ccccn3)CC2)n[nH]1 ZINC000215812886 535106339 /nfs/dbraw/zinc/10/63/39/535106339.db2.gz YSJHVRAIEPETGX-UHFFFAOYSA-N 0 3 328.460 3.283 50 0 EGAAHN CCC[C@@H]1COCCN1Cc1ccc(OC)c(CN2CCCC2)c1 ZINC000214995881 535441546 /nfs/dbraw/zinc/44/15/46/535441546.db2.gz MIRWAYFURUSGER-LJQANCHMSA-N 0 3 332.488 3.292 50 0 EGAAHN CN(C)Cc1csc(CN2CCN(CCc3ccccc3)CC2)c1 ZINC000219170361 536060730 /nfs/dbraw/zinc/06/07/30/536060730.db2.gz FOFRZAJZWAIYSR-UHFFFAOYSA-N 0 3 343.540 3.170 50 0 EGAAHN CN(CCC(=O)Nc1ccc2c(c1)CCC2)C[C@H](O)c1ccccc1 ZINC000243932470 536306711 /nfs/dbraw/zinc/30/67/11/536306711.db2.gz BVQJWNGGLLXVSO-FQEVSTJZSA-N 0 3 338.451 3.169 50 0 EGAAHN COc1ccc(/C=C/CN2CCCC[C@@H]2CCN2CCOCC2)cc1 ZINC000216270487 536595412 /nfs/dbraw/zinc/59/54/12/536595412.db2.gz XQEXSOKOAVLOAP-DPZZJQGRSA-N 0 3 344.499 3.285 50 0 EGAAHN Cc1cccc(C2(NC(=O)N(C)CCN3CCCC[C@@H]3C)CC2)c1 ZINC000584887835 548098998 /nfs/dbraw/zinc/09/89/98/548098998.db2.gz MZJSFOUOVGXTAG-KRWDZBQOSA-N 0 3 329.488 3.500 50 0 EGAAHN C1=C[C@@H]2C[C@H]1C[C@H]2CN1CCc2[nH]nc(-c3ccc4c(c3)OCO4)c2C1 ZINC000019811284 1291193370 /nfs/dbraw/zinc/19/33/70/1291193370.db2.gz VWBWIGNANHMGAS-LZWOXQAQSA-N 0 3 349.434 3.376 50 0 EGAAHN Cc1ccccc1CN1CCN(Cc2ccc(F)cc2)C[C@H]1CCO ZINC000104461584 1293023930 /nfs/dbraw/zinc/02/39/30/1293023930.db2.gz QTVBNWPDAFTGKI-OAQYLSRUSA-N 0 3 342.458 3.203 50 0 EGAAHN CC[C@@H](C(=O)N(Cc1ccc(O)cc1)Cc1cccnc1)N(C)CC ZINC000952871922 1334583501 /nfs/dbraw/zinc/58/35/01/1334583501.db2.gz GYRRIVXEQQFCFO-IBGZPJMESA-N 0 3 341.455 3.046 50 0 EGAAHN CN(CC(=O)Nc1ccccc1OC[C@@H]1CCCO1)C1CCCC1 ZINC000952990277 1334632322 /nfs/dbraw/zinc/63/23/22/1334632322.db2.gz HSMUSVCDMZJCPX-INIZCTEOSA-N 0 3 332.444 3.057 50 0 EGAAHN CC[C@@]1(O)CCC[C@@H]2CN(Cc3ccc(F)c(OC)c3F)C[C@@H]21 ZINC001704339656 1416449027 /nfs/dbraw/zinc/44/90/27/1416449027.db2.gz VIYBWAULDSFAGD-UVBSCNOISA-N 0 3 325.399 3.346 50 0 EGAAHN Fc1ccc(-c2n[nH]cc2CNCc2n[nH]c3c2CCCCC3)cc1 ZINC000055327542 214307662 /nfs/dbraw/zinc/30/76/62/214307662.db2.gz ZOQCVHDFBWECMQ-UHFFFAOYSA-N 0 3 339.418 3.498 50 0 EGAAHN C1=C[C@H]2C[C@@H]1C[C@H]2CCNc1nc(-c2cccnc2)nc2c1CCNC2 ZINC000067541877 215159454 /nfs/dbraw/zinc/15/94/54/215159454.db2.gz CGALOKUOEZCIRZ-OWCLPIDISA-N 0 3 347.466 3.199 50 0 EGAAHN Cc1c2ccccc2[nH]c1CN1CC[C@H](CNC(=O)NC(C)C)C1 ZINC000067726806 215195802 /nfs/dbraw/zinc/19/58/02/215195802.db2.gz LFXOKILFWXRMBG-OAHLLOKOSA-N 0 3 328.460 3.006 50 0 EGAAHN Cc1cc(F)ccc1CN1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 ZINC000067784824 215211060 /nfs/dbraw/zinc/21/10/60/215211060.db2.gz UUOWTNHAKMTTNO-ZWKOTPCHSA-N 0 3 343.398 3.213 50 0 EGAAHN O=C(NC[C@@H]1CCCN(Cc2ccco2)C1)c1ccc2cc[nH]c2c1 ZINC000067851019 215232086 /nfs/dbraw/zinc/23/20/86/215232086.db2.gz VHPWEHZIDDRIKG-HNNXBMFYSA-N 0 3 337.423 3.403 50 0 EGAAHN Cc1noc(C)c1NC(=O)NC[C@@H]1CCN(Cc2ccccc2F)C1 ZINC000067934832 215253524 /nfs/dbraw/zinc/25/35/24/215253524.db2.gz HNKCCBZBBWGOQF-AWEZNQCLSA-N 0 3 346.406 3.074 50 0 EGAAHN COc1ccc(CN2CCN(C3CCCC3)[C@H](CCO)C2)c(C)c1C ZINC000039543745 213239859 /nfs/dbraw/zinc/23/98/59/213239859.db2.gz YSCOMDWJVGMPPY-HXUWFJFHSA-N 0 3 346.515 3.123 50 0 EGAAHN Cc1ccc(CN2CCN(CCc3ccccc3)[C@H](CCO)C2)s1 ZINC000039508480 213238075 /nfs/dbraw/zinc/23/80/75/213238075.db2.gz KQHMPKJXLOTSIT-LJQANCHMSA-N 0 3 344.524 3.168 50 0 EGAAHN CCNC(=O)CN1CCC[C@H](CCc2cccc(C(F)(F)F)c2)C1 ZINC000072153701 216042705 /nfs/dbraw/zinc/04/27/05/216042705.db2.gz BTLWXAXUJOAKDD-OAHLLOKOSA-N 0 3 342.405 3.486 50 0 EGAAHN c1cn(CCCCc2ccccc2)c(-c2cc3n(n2)CCCNC3)n1 ZINC000072411413 216203844 /nfs/dbraw/zinc/20/38/44/216203844.db2.gz PCQGUMNDRIKPGP-UHFFFAOYSA-N 0 3 335.455 3.263 50 0 EGAAHN CC(C)=CCCN1CCC[C@H](c2cc(N3CCOCC3)nc(C)n2)C1 ZINC000072440796 216234948 /nfs/dbraw/zinc/23/49/48/216234948.db2.gz SIRYFJGOHCQXJH-SFHVURJKSA-N 0 3 344.503 3.157 50 0 EGAAHN CC(C)(O)CCc1cccc(C(=O)NC2(CN3CCCCC3)CC2)c1 ZINC000072454212 216241104 /nfs/dbraw/zinc/24/11/04/216241104.db2.gz FJTXLIXHVXZULF-UHFFFAOYSA-N 0 3 344.499 3.138 50 0 EGAAHN CN(C)[C@@H](CNC(=O)c1ccccc1F)c1cn(C)c2ccccc12 ZINC000023239665 212362207 /nfs/dbraw/zinc/36/22/07/212362207.db2.gz JQVLKEZGKNEHKX-IBGZPJMESA-N 0 3 339.414 3.350 50 0 EGAAHN O=C1OCC2(CCN(Cc3cnc(C4CCCCC4)nc3)CC2)O1 ZINC000215017727 241102029 /nfs/dbraw/zinc/10/20/29/241102029.db2.gz WVCHDAXXEIVGNF-UHFFFAOYSA-N 0 3 331.416 3.026 50 0 EGAAHN CN(CC[C@@H]1CCCCO1)Cc1cnc(NCc2ccccc2)nc1 ZINC000215541658 241132653 /nfs/dbraw/zinc/13/26/53/241132653.db2.gz KRRZMKDKTVRGSD-IBGZPJMESA-N 0 3 340.471 3.480 50 0 EGAAHN Nc1ccc(C(=O)NC[C@H](c2ccccc2)N2CCCCCC2)cn1 ZINC000244701251 243060415 /nfs/dbraw/zinc/06/04/15/243060415.db2.gz KCYHVRUZTXNQIN-GOSISDBHSA-N 0 3 338.455 3.011 50 0 EGAAHN OCC[C@@H]1CN(Cc2cc3ccccc3o2)CCN1C1CCCC1 ZINC000020513667 212142607 /nfs/dbraw/zinc/14/26/07/212142607.db2.gz PVDKECYTVXMNLB-GOSISDBHSA-N 0 3 328.456 3.244 50 0 EGAAHN Cc1ccc(CN2CCN(Cc3ccccc3C)[C@@H](CCO)C2)s1 ZINC000019781804 212065322 /nfs/dbraw/zinc/06/53/22/212065322.db2.gz RDEMOHPLIHIDJK-IBGZPJMESA-N 0 3 344.524 3.434 50 0 EGAAHN COc1ccc(-c2n[nH]cc2CN[C@H]2COc3ccccc3C2)cc1 ZINC000019594916 212050216 /nfs/dbraw/zinc/05/02/16/212050216.db2.gz ZGLGXEOBPJFJKX-QGZVFWFLSA-N 0 3 335.407 3.179 50 0 EGAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1ccn(C(F)F)n1 ZINC000017072068 211953641 /nfs/dbraw/zinc/95/36/41/211953641.db2.gz SPBUKKYCEGEMTD-XJKSGUPXSA-N 0 3 346.381 3.035 50 0 EGAAHN O=C1N(CC2CCCCC2)CCC[C@@]12CCN(Cc1ccccn1)C2 ZINC000012320863 211346476 /nfs/dbraw/zinc/34/64/76/211346476.db2.gz SPJPJTAEGJOEMZ-NRFANRHFSA-N 0 3 341.499 3.476 50 0 EGAAHN O=C1CC[C@H](CCNCc2cccnc2)N1CCCc1ccccc1 ZINC000012098936 211290540 /nfs/dbraw/zinc/29/05/40/211290540.db2.gz RCLQNJPLDHJPJL-HXUWFJFHSA-N 0 3 337.467 3.185 50 0 EGAAHN CCOC(=O)[C@@]1(Cc2ccccc2)CCCN(Cc2[nH]cnc2C)C1 ZINC000011934712 211272737 /nfs/dbraw/zinc/27/27/37/211272737.db2.gz PKXLKSVQUWHYJE-HXUWFJFHSA-N 0 3 341.455 3.106 50 0 EGAAHN COc1ccc(C(=O)N2CCC[C@H](N(C)CCc3ccccc3)C2)o1 ZINC000011815871 211249278 /nfs/dbraw/zinc/24/92/78/211249278.db2.gz KWACDSFMUGXLFC-KRWDZBQOSA-N 0 3 342.439 3.067 50 0 EGAAHN CCc1nc(C)sc1CN1CC[C@@](O)(C2CCOCC2)[C@H](C)C1 ZINC000091737609 218056444 /nfs/dbraw/zinc/05/64/44/218056444.db2.gz YGBJXPONFWKWOY-ACJLOTCBSA-N 0 3 338.517 3.013 50 0 EGAAHN COc1c(C)cc(C(=O)[C@@H]2CCCN(C3CCOCC3)C2)cc1C ZINC000011662815 211229298 /nfs/dbraw/zinc/22/92/98/211229298.db2.gz GGIGBGWCBRNNIY-MRXNPFEDSA-N 0 3 331.456 3.386 50 0 EGAAHN CCCN1C[C@H]2CC[C@@H]1CN(Cc1ccc(OC)c(OCC)c1)C2 ZINC000091876498 218082229 /nfs/dbraw/zinc/08/22/29/218082229.db2.gz ZPVJPCVUSLTXLS-ZWKOTPCHSA-N 0 3 332.488 3.400 50 0 EGAAHN NC(=O)C[C@H]1CCCCN1Cc1ccccc1OCc1ccccc1 ZINC000092588720 218153053 /nfs/dbraw/zinc/15/30/53/218153053.db2.gz HUMPNELPZMVVIA-LJQANCHMSA-N 0 3 338.451 3.496 50 0 EGAAHN c1nnc(C2CCN(Cc3cccc(OCc4ccccn4)c3)CC2)[nH]1 ZINC000093646465 218238609 /nfs/dbraw/zinc/23/86/09/218238609.db2.gz WOXUAWFTXYYPGR-UHFFFAOYSA-N 0 3 349.438 3.158 50 0 EGAAHN O=C(NCc1ccc(F)cc1F)[C@@H]1CCCN(Cc2ccco2)C1 ZINC000095366047 218298714 /nfs/dbraw/zinc/29/87/14/218298714.db2.gz LTJABVKUEPXGKA-CQSZACIVSA-N 0 3 334.366 3.086 50 0 EGAAHN C[C@H]1CN(C)CCCN1C(=O)Nc1ccc(OCc2ccco2)cc1 ZINC000299783153 258091334 /nfs/dbraw/zinc/09/13/34/258091334.db2.gz WSAUOJHEQDFOOW-HNNXBMFYSA-N 0 3 343.427 3.417 50 0 EGAAHN O=c1cc([C@@H]2CCCN(Cc3cncn3C3CCCCC3)C2)nc[nH]1 ZINC000299787688 258094426 /nfs/dbraw/zinc/09/44/26/258094426.db2.gz ZKIACHCYYBQRLU-OAHLLOKOSA-N 0 3 341.459 3.264 50 0 EGAAHN COc1cccc(C(=O)NCCN2CC[C@@H](c3ccccc3C)C2)c1 ZINC000240662379 274145005 /nfs/dbraw/zinc/14/50/05/274145005.db2.gz PKNFKKOJNHFPGT-GOSISDBHSA-N 0 3 338.451 3.223 50 0 EGAAHN C[C@H](C(=O)N1CCCC1)N(CCCO)Cc1cccc2ccccc21 ZINC000244794551 298011552 /nfs/dbraw/zinc/01/15/52/298011552.db2.gz QOUSSSMXJRAXMJ-QGZVFWFLSA-N 0 3 340.467 3.035 50 0 EGAAHN CCC1=NO[C@H](CN2CCC(COc3ccc(OC)cc3)CC2)C1 ZINC000244734410 455276343 /nfs/dbraw/zinc/27/63/43/455276343.db2.gz NFBITSLIKJDAHI-IBGZPJMESA-N 0 3 332.444 3.341 50 0 EGAAHN Cc1c(CN2CCc3ccccc3C2)c(=O)n(-c2ccccc2)n1C ZINC000000217874 452538640 /nfs/dbraw/zinc/53/86/40/452538640.db2.gz BPECTPJPNAYSPH-UHFFFAOYSA-N 0 3 333.435 3.043 50 0 EGAAHN Cc1ccc(C)c(NC(=O)CCN2CCN(c3ccccc3)CC2)c1 ZINC000000255250 452547818 /nfs/dbraw/zinc/54/78/18/452547818.db2.gz KSSTUNFTBLRUEF-UHFFFAOYSA-N 0 3 337.467 3.454 50 0 EGAAHN CCN1CCN(c2ccc(NC(=O)c3ccc(F)cc3)cc2)CC1 ZINC000000588156 452630087 /nfs/dbraw/zinc/63/00/87/452630087.db2.gz KRMMJZQXFQVDKA-UHFFFAOYSA-N 0 3 327.403 3.220 50 0 EGAAHN COc1cc2c(cc1OC)[C@@H]1N(CC[C@@]1(O)c1ccc(F)cc1)CC2 ZINC000004089745 452793581 /nfs/dbraw/zinc/79/35/81/452793581.db2.gz CHVNLMGGTMLHNX-VQTJNVASSA-N 0 3 343.398 3.034 50 0 biogenic EGAAHN CCN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccncc3)=NN12 ZINC000005094019 452836448 /nfs/dbraw/zinc/83/64/48/452836448.db2.gz ZKPPVHCDRPSISC-IBGZPJMESA-N 0 3 348.450 3.437 50 0 EGAAHN CCCCN(C)Cc1c(C)[nH]c2ccc(N3CCOCC3)cc2c1=O ZINC000008717440 453226008 /nfs/dbraw/zinc/22/60/08/453226008.db2.gz JDTHWWGQBNZBNM-UHFFFAOYSA-N 0 3 343.471 3.317 50 0 EGAAHN COc1cc(Cl)cc(CNC[C@H](C)O)c1OCc1ccccc1 ZINC000010474572 453294247 /nfs/dbraw/zinc/29/42/47/453294247.db2.gz WNJOHUIIPZCXJH-ZDUSSCGKSA-N 0 3 335.831 3.398 50 0 EGAAHN FC(F)(F)c1ccc(N2CCC[C@H](NCc3cccnc3)C2)nc1 ZINC000012435341 453362825 /nfs/dbraw/zinc/36/28/25/453362825.db2.gz MPMJGEMIOJFBOE-HNNXBMFYSA-N 0 3 336.361 3.254 50 0 EGAAHN COc1ccc(F)c(CN2CC[C@]3(C2)CCCN(CC2CC2)C3=O)c1 ZINC000012717292 453392590 /nfs/dbraw/zinc/39/25/90/453392590.db2.gz FBEWICNOWISBPM-FQEVSTJZSA-N 0 3 346.446 3.059 50 0 EGAAHN CCCNC(=O)N(C)C[C@H]1CCCN(CCc2ccc(F)cc2)C1 ZINC000012703608 453393086 /nfs/dbraw/zinc/39/30/86/453393086.db2.gz BUGMRUYRRPCDEH-QGZVFWFLSA-N 0 3 335.467 3.132 50 0 EGAAHN O=C(NC1CCCC1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000013328294 453459112 /nfs/dbraw/zinc/45/91/12/453459112.db2.gz XJMBMBVHGCLMEC-UHFFFAOYSA-N 0 3 331.504 3.225 50 0 EGAAHN CCCCCOc1ccc(C(=O)N2CCOC23CCN(C)CC3)cc1 ZINC000013692300 453481809 /nfs/dbraw/zinc/48/18/09/453481809.db2.gz LNUXYFGMSUKWRD-UHFFFAOYSA-N 0 3 346.471 3.150 50 0 EGAAHN CCn1c(C)cc(O)c([C@H](c2cccnc2)N2CCC(C)CC2)c1=O ZINC000022697440 453696674 /nfs/dbraw/zinc/69/66/74/453696674.db2.gz HEOYAAYLBSVADQ-IBGZPJMESA-N 0 3 341.455 3.099 50 0 EGAAHN Cc1cc(C(=O)NC[C@H](c2cn(C)c3ccccc23)N(C)C)c(C)o1 ZINC000075149148 453867313 /nfs/dbraw/zinc/86/73/13/453867313.db2.gz DJDQISUETWGOBX-LJQANCHMSA-N 0 3 339.439 3.421 50 0 EGAAHN O=C(/C=C/c1ccccc1)N1CCCSC[C@H]1CN1CCCC1 ZINC000085473169 454030819 /nfs/dbraw/zinc/03/08/19/454030819.db2.gz USICFCSDGMRYEE-QZEKMECESA-N 0 3 330.497 3.130 50 0 EGAAHN O=C(/C=C/c1ccccc1)N1CCCSC[C@@H]1CN1CCCC1 ZINC000085473167 454030932 /nfs/dbraw/zinc/03/09/32/454030932.db2.gz USICFCSDGMRYEE-BBVFFXRHSA-N 0 3 330.497 3.130 50 0 EGAAHN CN(Cc1nc2ccccc2s1)[C@@H]1CCOC2(CCOCC2)C1 ZINC000077323120 454091458 /nfs/dbraw/zinc/09/14/58/454091458.db2.gz JNYNJWRKKNMYAU-CQSZACIVSA-N 0 3 332.469 3.456 50 0 EGAAHN c1cnn(CC[C@@H]2CCCCN2Cc2cc(-c3ccccn3)no2)c1 ZINC000077355812 454096945 /nfs/dbraw/zinc/09/69/45/454096945.db2.gz HAYUAYAAWQUCNE-INIZCTEOSA-N 0 3 337.427 3.378 50 0 EGAAHN CCOc1ccc(CN2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)cc1 ZINC000077470540 454110004 /nfs/dbraw/zinc/11/00/04/454110004.db2.gz WQKWDCIRKNUEIU-OAQYLSRUSA-N 0 3 342.483 3.452 50 0 EGAAHN COc1c(CNC[C@H]2CCN(c3ccc(Cl)cc3)C2)c(C)nn1C ZINC000058307262 454183012 /nfs/dbraw/zinc/18/30/12/454183012.db2.gz NLNQOPZMTRULBQ-CQSZACIVSA-N 0 3 348.878 3.007 50 0 EGAAHN CCN1CCCC[C@H]1CNc1nccc(-c2ccc(C)nc2C)n1 ZINC000071762381 454215372 /nfs/dbraw/zinc/21/53/72/454215372.db2.gz ARSVLHNQYVWRLQ-INIZCTEOSA-N 0 3 325.460 3.442 50 0 EGAAHN CNC(=O)c1cccc(OC2CCN(CCc3ccccc3)CC2)c1 ZINC000095496794 454221432 /nfs/dbraw/zinc/22/14/32/454221432.db2.gz XFKSJJIILSAVOR-UHFFFAOYSA-N 0 3 338.451 3.132 50 0 EGAAHN CCn1nc(C(C)C)cc1C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000091269926 454420822 /nfs/dbraw/zinc/42/08/22/454420822.db2.gz UUQIABXPULKQBS-IBGZPJMESA-N 0 3 342.487 3.368 50 0 EGAAHN CCc1nnc(SCc2nc(C(C)C)nn2-c2ccnc(C)c2)o1 ZINC000065371919 454555486 /nfs/dbraw/zinc/55/54/86/454555486.db2.gz ZPLHATAHGXHWLL-UHFFFAOYSA-N 0 3 344.444 3.332 50 0 EGAAHN O=C1OC2(CCN(Cc3ccccc3)CC2)c2cc(Cl)ncc21 ZINC000146563062 454858996 /nfs/dbraw/zinc/85/89/96/454858996.db2.gz MLRDSYVHEMKKPC-UHFFFAOYSA-N 0 3 328.799 3.397 50 0 EGAAHN Cc1cc(N[C@@H]2COCC[C@H]2O)c2ccc(C(F)(F)F)cc2n1 ZINC000223864245 456062317 /nfs/dbraw/zinc/06/23/17/456062317.db2.gz KJEZGQQCXOOIDY-HUUCEWRRSA-N 0 3 326.318 3.124 50 0 EGAAHN CCN1CCC[C@H]1CNC(=O)C[C@@H](c1ccsc1)n1cccc1 ZINC000263588846 456178266 /nfs/dbraw/zinc/17/82/66/456178266.db2.gz ZEHYKHOEBGWMCH-IRXDYDNUSA-N 0 3 331.485 3.130 50 0 EGAAHN c1cc(-c2ccc(CNCCc3cnn(-c4ccccc4)c3)o2)n[nH]1 ZINC000433305557 457804686 /nfs/dbraw/zinc/80/46/86/457804686.db2.gz QBQXOUWSROXRLF-UHFFFAOYSA-N 0 3 333.395 3.188 50 0 EGAAHN COc1ccc(-c2cccc(C(=O)N(C)[C@@H]3CCN(C)C3)c2)c(F)c1 ZINC000426487747 457840608 /nfs/dbraw/zinc/84/06/08/457840608.db2.gz ZCYQVKCJNYQIAQ-MRXNPFEDSA-N 0 3 342.414 3.277 50 0 EGAAHN COc1cccc(-c2ccc(C(=O)N3CCN4CCC[C@H]4C3)cc2)c1 ZINC000426541398 457851237 /nfs/dbraw/zinc/85/12/37/457851237.db2.gz NQGHRDKRRMQDPE-IBGZPJMESA-N 0 3 336.435 3.282 50 0 EGAAHN Cc1ccc(C2(NC(=O)N3CC[C@@H](N4CCCCC4)C3)CC2)cc1 ZINC000584893569 459819932 /nfs/dbraw/zinc/81/99/32/459819932.db2.gz YJQCWYWFYBFYBP-GOSISDBHSA-N 0 3 327.472 3.254 50 0 EGAAHN CCOc1ccccc1C(=O)N1CCCN(C2CCSCC2)CC1 ZINC000575616272 459985743 /nfs/dbraw/zinc/98/57/43/459985743.db2.gz MSNUYLLXICDRKZ-UHFFFAOYSA-N 0 3 348.512 3.129 50 0 EGAAHN CN(CC(=O)Nc1ccc(OC[C@H]2CCCCO2)cc1)C1CCCC1 ZINC000952967715 1334627282 /nfs/dbraw/zinc/62/72/82/1334627282.db2.gz MFRCGDZNHHMSSR-LJQANCHMSA-N 0 3 346.471 3.447 50 0 EGAAHN CCSc1ccccc1NC(=O)CC[C@@H](C)N1CCN(C)CC1 ZINC000952978558 1334628893 /nfs/dbraw/zinc/62/88/93/1334628893.db2.gz QXUOGDSPSGVASW-OAHLLOKOSA-N 0 3 335.517 3.153 50 0 EGAAHN CC(C)N1C[C@@H](CN2CCN(c3cccc(Cl)c3)CC2)CCC1=O ZINC001772807416 1441417384 /nfs/dbraw/zinc/41/73/84/1441417384.db2.gz VPGKSTYGTZUARL-MRXNPFEDSA-N 0 3 349.906 3.109 50 0 EGAAHN Cc1c(C(=O)N2C[C@H]3CC[C@@H]2CN(C)C3)[nH]c2c1c(C)ccc2C ZINC000097711671 219049928 /nfs/dbraw/zinc/04/99/28/219049928.db2.gz HDDOQRCYOVXLNP-JKSUJKDBSA-N 0 3 325.456 3.259 50 0 EGAAHN CC[C@@H](CO)N(Cc1ccco1)Cc1cccc(Cn2cccn2)c1 ZINC000055271630 214299297 /nfs/dbraw/zinc/29/92/97/214299297.db2.gz PBHMQQIZKNQOPD-IBGZPJMESA-N 0 3 339.439 3.298 50 0 EGAAHN c1ccc2c(c1)CC[C@@H]2Nc1nc(-c2cccnc2)nc2c1CCNC2 ZINC000067473469 215151697 /nfs/dbraw/zinc/15/16/97/215151697.db2.gz HZZNMLNITDHGRM-SFHVURJKSA-N 0 3 343.434 3.284 50 0 EGAAHN Cc1ccsc1[C@@H]1CCN(Cc2ccc(-c3cc[nH]n3)o2)C[C@H]1O ZINC000067513572 215155734 /nfs/dbraw/zinc/15/57/34/215155734.db2.gz USKKSPKVDDOFSR-GDBMZVCRSA-N 0 3 343.452 3.390 50 0 EGAAHN CC(C)C[C@@H](N)C(=O)NCc1cccnc1Oc1ccc(F)c(F)c1 ZINC000067773273 215209613 /nfs/dbraw/zinc/20/96/13/215209613.db2.gz OZTIYWSEUORGSE-MRXNPFEDSA-N 0 3 349.381 3.142 50 0 EGAAHN C[C@@H](O)CN1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067818759 215221807 /nfs/dbraw/zinc/22/18/07/215221807.db2.gz NXQNDOQDAVRJHN-OAHLLOKOSA-N 0 3 333.435 3.483 50 0 EGAAHN CC(=O)NC[C@H]1CCCN(Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000067834343 215223996 /nfs/dbraw/zinc/22/39/96/215223996.db2.gz PHFMCKHSXURPFO-CQSZACIVSA-N 0 3 346.862 3.078 50 0 EGAAHN Cc1ccccc1-c1cn2c(C(=O)N[C@@H](C)CN(C)C)csc2n1 ZINC000067895185 215244268 /nfs/dbraw/zinc/24/42/68/215244268.db2.gz JUDLPTITMDQOLU-ZDUSSCGKSA-N 0 3 342.468 3.051 50 0 EGAAHN COc1ccc(CN2CCN(CC(C)(C)C)C[C@H]2CCO)c(C)c1C ZINC000104304327 219373327 /nfs/dbraw/zinc/37/33/27/219373327.db2.gz HQMAHIONGBDGED-LJQANCHMSA-N 0 3 348.531 3.227 50 0 EGAAHN CN(C)CCNC(=O)c1cc2oc(-c3ccccc3Cl)cc2n1C ZINC000040267353 213285733 /nfs/dbraw/zinc/28/57/33/213285733.db2.gz DQLLJSZPOWWJDF-UHFFFAOYSA-N 0 3 345.830 3.383 50 0 EGAAHN Cc1nnsc1CN1CC[C@@](O)(c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000072143690 216028549 /nfs/dbraw/zinc/02/85/49/216028549.db2.gz SNRLLWRUZHIHJR-JENIJYKNSA-N 0 3 343.496 3.499 50 0 EGAAHN CCOc1ccc(Cl)cc1CN(C)Cc1cc2n(n1)CCCNC2 ZINC000072158846 216048345 /nfs/dbraw/zinc/04/83/45/216048345.db2.gz PSZXNRMMUQEVQT-UHFFFAOYSA-N 0 3 348.878 3.061 50 0 EGAAHN OC[C@@]1(O)CCCN(Cc2ccc(Oc3ccccc3)cc2)CC1 ZINC000072166785 216055201 /nfs/dbraw/zinc/05/52/01/216055201.db2.gz FRGIOGQLCZNOLY-HXUWFJFHSA-N 0 3 327.424 3.188 50 0 EGAAHN Cc1ncc2c(c1CNC(=O)[C@H](c1ccccc1)C(C)C)CCNC2 ZINC000072407451 216197802 /nfs/dbraw/zinc/19/78/02/216197802.db2.gz WJPIIQGQCIWPAP-FQEVSTJZSA-N 0 3 337.467 3.092 50 0 EGAAHN OCC[C@H]1CN(Cc2cc(F)cc(F)c2)CCN1C1CCCCC1 ZINC000023361184 212370642 /nfs/dbraw/zinc/37/06/42/212370642.db2.gz NHGXIAAIBRLDKU-IBGZPJMESA-N 0 3 338.442 3.166 50 0 EGAAHN COc1ccccc1/C=C/CN1CCN(CC(C)(C)C)[C@@H](CCO)C1 ZINC000022852092 212329694 /nfs/dbraw/zinc/32/96/94/212329694.db2.gz RAENIIROEBGIHH-XSBJJCPUSA-N 0 3 346.515 3.123 50 0 EGAAHN CCCCSc1ncc(CN2CC[C@@H](N3CCCCC3)C2)cn1 ZINC000215152740 241109623 /nfs/dbraw/zinc/10/96/23/241109623.db2.gz HINISXNEHLVCPW-QGZVFWFLSA-N 0 3 334.533 3.429 50 0 EGAAHN C[C@@H](CNC(=O)c1cc(-c2ccccc2)on1)N1C[C@H](C)C[C@H](C)C1 ZINC000227156130 242122656 /nfs/dbraw/zinc/12/26/56/242122656.db2.gz GDTCFWJCTOGKOL-XHSDSOJGSA-N 0 3 341.455 3.438 50 0 EGAAHN CC[C@H]1CCCCN1CC(=O)N(C)Cc1cccc2cnccc21 ZINC000244601935 243043229 /nfs/dbraw/zinc/04/32/29/243043229.db2.gz DUQVGVHSCMSWRS-SFHVURJKSA-N 0 3 325.456 3.458 50 0 EGAAHN Cc1ccnn1CCN1CCC[C@@H](c2nc(-c3ccccc3)no2)C1 ZINC000244874337 243093187 /nfs/dbraw/zinc/09/31/87/243093187.db2.gz WZPNNBXLGWADRQ-QGZVFWFLSA-N 0 3 337.427 3.121 50 0 EGAAHN Cc1ccc(NC(=O)C[C@H](C)NC[C@H](c2ccco2)N(C)C)cc1 ZINC000076556533 216791400 /nfs/dbraw/zinc/79/14/00/216791400.db2.gz VXRKDEKXJZLUAJ-DOTOQJQBSA-N 0 3 329.444 3.198 50 0 EGAAHN 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EGAAHN CCN(CCN1CCCCCC1)C(=O)c1cc(C(C)C)nn1CC ZINC000091708054 218052823 /nfs/dbraw/zinc/05/28/23/218052823.db2.gz TUWPLHNOISPHLE-UHFFFAOYSA-N 0 3 334.508 3.365 50 0 EGAAHN COc1ccccc1CN1CCC[C@H](CNC(=O)c2cccs2)C1 ZINC000011770905 211246867 /nfs/dbraw/zinc/24/68/67/211246867.db2.gz LSKRKGOOBXTFDL-OAHLLOKOSA-N 0 3 344.480 3.399 50 0 EGAAHN CCOC[C@@H]1CCCN1C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000095358152 218291348 /nfs/dbraw/zinc/29/13/48/218291348.db2.gz LVTWRMPJZKAUKG-IBGZPJMESA-N 0 3 330.472 3.314 50 0 EGAAHN CCCN1C[C@H]2CC[C@@H]1CN(Cc1c(OC)cc(OC)cc1OC)C2 ZINC000095358461 218291371 /nfs/dbraw/zinc/29/13/71/218291371.db2.gz RUNNKAVDPSQJGV-JKSUJKDBSA-N 0 3 348.487 3.019 50 0 EGAAHN Cc1ccc([C@@H]2CN(C(=O)c3ccc[nH]3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095372190 218305557 /nfs/dbraw/zinc/30/55/57/218305557.db2.gz DGDHFDVBVUCENT-DFQSSKMNSA-N 0 3 335.451 3.026 50 0 EGAAHN OCc1ccccc1-c1ccccc1OC[C@@H](O)CN1CCCCC1 ZINC000096162354 218638378 /nfs/dbraw/zinc/63/83/78/218638378.db2.gz 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/nfs/dbraw/zinc/61/20/23/452612023.db2.gz FZVZNHZDCGOCRE-SFHVURJKSA-N 0 3 332.359 3.368 50 0 EGAAHN COc1ccc2[nH]c3c(ncnc3NCCN3CCCCC3)c2c1 ZINC000000539956 452617903 /nfs/dbraw/zinc/61/79/03/452617903.db2.gz QFFFBPHEMVSYDI-UHFFFAOYSA-N 0 3 325.416 3.018 50 0 aggregator EGAAHN CCN(CC)CCSc1ccc(-c2ccc3c(c2)OCO3)nn1 ZINC000005410643 452869473 /nfs/dbraw/zinc/86/94/73/452869473.db2.gz VJLKOTFLFMFHOZ-UHFFFAOYSA-N 0 3 331.441 3.306 50 0 EGAAHN O=C1C[C@@H](NCCC2=CCCCC2)C(=O)N1c1cccc(Cl)c1 ZINC000006681960 452970035 /nfs/dbraw/zinc/97/00/35/452970035.db2.gz DRVACZSWEMRPEQ-MRXNPFEDSA-N 0 3 332.831 3.452 50 0 EGAAHN c1ccc(CCc2nnc3n2CCN(Cc2ccccc2)CC3)cc1 ZINC000014995954 453550357 /nfs/dbraw/zinc/55/03/57/453550357.db2.gz NMCCAHWKFQCXAT-UHFFFAOYSA-N 0 3 332.451 3.122 50 0 EGAAHN CN1CCC([C@@]2(O)c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000021299162 453674352 /nfs/dbraw/zinc/67/43/52/453674352.db2.gz HSLLZISLOQPUNP-HXUWFJFHSA-N 0 3 342.870 3.411 50 0 in-vitro EGAAHN COc1ccc(CN2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)cc1 ZINC000077388916 454100923 /nfs/dbraw/zinc/10/09/23/454100923.db2.gz KROYMSRSGPIUFK-FQEVSTJZSA-N 0 3 328.456 3.062 50 0 EGAAHN CCn1cc(CN2CCC(c3nc4cc(F)ccc4[nH]3)CC2)cn1 ZINC000077471443 454109822 /nfs/dbraw/zinc/10/98/22/454109822.db2.gz TUIURTWSTPPYTC-UHFFFAOYSA-N 0 3 327.407 3.298 50 0 EGAAHN O=C(NCc1ccc(F)cc1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000044932088 454127054 /nfs/dbraw/zinc/12/70/54/454127054.db2.gz RNIVADFLDFJELU-UHFFFAOYSA-N 0 3 344.405 3.493 50 0 EGAAHN O=C(/C=C/c1cccs1)NCC1CCN(c2ccncc2)CC1 ZINC000070928414 454185993 /nfs/dbraw/zinc/18/59/93/454185993.db2.gz KBTLXLAFOLYPNY-ONEGZZNKSA-N 0 3 327.453 3.189 50 0 EGAAHN COC[C@@H]1CCN(C(=O)Nc2cccc(CN3CCCCC3)c2)C1 ZINC000095503158 454222569 /nfs/dbraw/zinc/22/25/69/454222569.db2.gz JQCDGSACDVOIJW-QGZVFWFLSA-N 0 3 331.460 3.173 50 0 EGAAHN CN1CCC(N(CCc2ccccc2)C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000097088494 454404179 /nfs/dbraw/zinc/40/41/79/454404179.db2.gz SWOAXVSWPSGCJA-UHFFFAOYSA-N 0 3 345.874 3.447 50 0 EGAAHN CC[C@H](C(=O)NC1CCCCC1)N1CCC(c2ccncc2)CC1 ZINC000065375169 454555826 /nfs/dbraw/zinc/55/58/26/454555826.db2.gz VHSAITZOGGWRCV-LJQANCHMSA-N 0 3 329.488 3.489 50 0 EGAAHN Cc1cc(-n2nc(C(C)C)nc2CCn2cc(Cl)cn2)ccn1 ZINC000065388165 454557824 /nfs/dbraw/zinc/55/78/24/454557824.db2.gz DBXSOVBBGVZTNN-UHFFFAOYSA-N 0 3 330.823 3.187 50 0 EGAAHN OCc1ccc(CN2CCC[C@H](c3nc(-c4ccccc4)no3)C2)o1 ZINC000065404672 454559920 /nfs/dbraw/zinc/55/99/20/454559920.db2.gz QDBDBNIRMPUGLQ-HNNXBMFYSA-N 0 3 339.395 3.202 50 0 EGAAHN O=C(c1ccc(CN2CCCC2)cc1)N1CCOC2(CCCC2)C1 ZINC000269011091 455762316 /nfs/dbraw/zinc/76/23/16/455762316.db2.gz MVDNAUODIMFJAG-UHFFFAOYSA-N 0 3 328.456 3.068 50 0 EGAAHN Cc1nc2c(s1)CCC[C@@H]2NC(=O)C1(N2CCCC2)CCCC1 ZINC000222667630 456049908 /nfs/dbraw/zinc/04/99/08/456049908.db2.gz FVGDJINUDVYLHE-AWEZNQCLSA-N 0 3 333.501 3.354 50 0 EGAAHN CCCn1ncnc1[C@H](C)NC(=O)C1(N2CCCCC2)CCCCC1 ZINC000223696175 456059823 /nfs/dbraw/zinc/05/98/23/456059823.db2.gz 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/nfs/dbraw/zinc/88/40/96/457884096.db2.gz MRFPOPJJOSLTFH-UHFFFAOYSA-N 0 3 348.446 3.308 50 0 EGAAHN C[C@@H](C(=O)NCCc1noc(C2CCCC2)n1)N(C)C1CCCCC1 ZINC000219043917 547241550 /nfs/dbraw/zinc/24/15/50/547241550.db2.gz NZCHOAHODHIVMZ-AWEZNQCLSA-N 0 3 348.491 3.039 50 0 EGAAHN COc1ccc(OCC2CCN(Cc3ccc(CO)o3)CC2)cc1 ZINC000670439062 548215659 /nfs/dbraw/zinc/21/56/59/548215659.db2.gz QVVYJSWGAWZJLU-UHFFFAOYSA-N 0 3 331.412 3.072 50 0 EGAAHN Cc1cc(C)c(CN2CCc3nnc([C@H]4CCCO4)n3CC2)cc1C ZINC000023153501 1291231257 /nfs/dbraw/zinc/23/12/57/1291231257.db2.gz VKURACVBYLDPHM-GOSISDBHSA-N 0 3 340.471 3.113 50 0 EGAAHN c1csc(CN2CCCN([C@H]3COc4ccccc4C3)CC2)c1 ZINC000039489946 1291404983 /nfs/dbraw/zinc/40/49/83/1291404983.db2.gz MHOMHNFZFAZBAX-QGZVFWFLSA-N 0 3 328.481 3.260 50 0 EGAAHN CCCC(=O)Nc1ccc(NC(=O)CN(C)C2CCCC2)cc1OC ZINC000952988546 1334631140 /nfs/dbraw/zinc/63/11/40/1334631140.db2.gz QKSKPESUPKOFSI-UHFFFAOYSA-N 0 3 347.459 3.247 50 0 EGAAHN CC(C)(C)c1ccc(C(=O)CCCN2CCC([C@H](O)CO)CC2)cc1 ZINC001772812776 1441417614 /nfs/dbraw/zinc/41/76/14/1441417614.db2.gz QJPJYBMWCBIVPI-HXUWFJFHSA-N 0 3 347.499 3.012 50 0 EGAAHN Cc1ccc(CN(CCN(C)C)Cc2nn(C)cc2Cl)s1 ZINC000055042713 214267031 /nfs/dbraw/zinc/26/70/31/214267031.db2.gz BGRMKOPCIPVRKZ-UHFFFAOYSA-N 0 3 326.897 3.007 50 0 EGAAHN Cc1ccsc1CN(CCN(C)C)C(=O)c1ccc2[nH]cnc2c1 ZINC000055327671 214307549 /nfs/dbraw/zinc/30/75/49/214307549.db2.gz GCGZJWKLDSTVFN-UHFFFAOYSA-N 0 3 342.468 3.137 50 0 EGAAHN O=C(c1cccs1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000004178307 210139561 /nfs/dbraw/zinc/13/95/61/210139561.db2.gz NBVVNZLNBWSLDL-UHFFFAOYSA-N 0 3 330.497 3.475 50 0 EGAAHN Cc1c2ccccc2oc1CN1CC[C@@H](CNC(=O)NC(C)C)C1 ZINC000067758308 215205907 /nfs/dbraw/zinc/20/59/07/215205907.db2.gz AIAFUHQLSWKVJT-HNNXBMFYSA-N 0 3 329.444 3.271 50 0 EGAAHN CN(C)CC(C)(C)NC(=O)c1csc2nc(-c3ccccc3)cn12 ZINC000067790426 215213976 /nfs/dbraw/zinc/21/39/76/215213976.db2.gz GZWAKYXCRXBFBB-UHFFFAOYSA-N 0 3 342.468 3.133 50 0 EGAAHN C[C@@H](Nc1nc(-c2ccncc2)nc2c1CCNC2)c1ccccc1 ZINC000067855206 215233838 /nfs/dbraw/zinc/23/38/38/215233838.db2.gz ALTNMUKARKBKGT-CQSZACIVSA-N 0 3 331.423 3.357 50 0 EGAAHN COc1cc(-c2nc(CN3CCC[C@H]3C)c(C)o2)cc2c1OCO2 ZINC000067973629 215264024 /nfs/dbraw/zinc/26/40/24/215264024.db2.gz HAPXEBVDGZTTNR-LLVKDONJSA-N 0 3 330.384 3.372 50 0 EGAAHN CC(C)(C)CN1CCN(Cc2cc3ccccc3[nH]2)C[C@H]1CCO ZINC000104398462 219383294 /nfs/dbraw/zinc/38/32/94/219383294.db2.gz ISOXFQUFDFKPIZ-GOSISDBHSA-N 0 3 329.488 3.083 50 0 EGAAHN CN1CCCN(c2ccc(NC(=O)OCC(F)(F)F)cc2F)CC1 ZINC000039947642 213243756 /nfs/dbraw/zinc/24/37/56/213243756.db2.gz HOUGWGQZKNJAGZ-UHFFFAOYSA-N 0 3 349.328 3.078 50 0 EGAAHN COc1ccccc1NC(=O)NCC1CCN(Cc2ccco2)CC1 ZINC000038489589 213211559 /nfs/dbraw/zinc/21/15/59/213211559.db2.gz XRZFATGFHHPJEV-UHFFFAOYSA-N 0 3 343.427 3.322 50 0 EGAAHN COCCN1CCC(c2nccn2-c2cccc(Cl)c2F)CC1 ZINC000072133418 216022575 /nfs/dbraw/zinc/02/25/75/216022575.db2.gz FCFCNMFYYVDBTH-UHFFFAOYSA-N 0 3 337.826 3.491 50 0 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327.472 3.096 50 0 EGAAHN CN(C(=O)c1ccccc1[O-])[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000072145570 216032930 /nfs/dbraw/zinc/03/29/30/216032930.db2.gz NUGZMTQDUPIQIL-GOSISDBHSA-N 0 3 338.451 3.171 50 0 EGAAHN CN(C(=O)c1ccccc1[O-])[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000072145570 216032932 /nfs/dbraw/zinc/03/29/32/216032932.db2.gz NUGZMTQDUPIQIL-GOSISDBHSA-N 0 3 338.451 3.171 50 0 EGAAHN CCNC(=O)CN1CCC[C@@H](CCc2cccc(C(F)(F)F)c2)C1 ZINC000072153702 216042144 /nfs/dbraw/zinc/04/21/44/216042144.db2.gz BTLWXAXUJOAKDD-HNNXBMFYSA-N 0 3 342.405 3.486 50 0 EGAAHN O=C(c1ccccc1)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072165751 216054802 /nfs/dbraw/zinc/05/48/02/216054802.db2.gz FQSOQPSGTLIMBD-NJDAHSKKSA-N 0 3 332.447 3.389 50 0 EGAAHN CN(Cc1cnc(N2CCOCC2)s1)[C@H]1CCCc2ccccc21 ZINC000072168208 216059580 /nfs/dbraw/zinc/05/95/80/216059580.db2.gz FBYCFCSZNQVMAM-SFHVURJKSA-N 0 3 343.496 3.489 50 0 EGAAHN C[C@H](C1CCN(Cc2ccc(F)c(Cl)c2)CC1)N1CCOCC1 ZINC000072421356 216208917 /nfs/dbraw/zinc/20/89/17/216208917.db2.gz NDDLJDIHMCHJLB-CQSZACIVSA-N 0 3 340.870 3.412 50 0 EGAAHN COc1cc2c(cc1CN1CCN(C3CCSCC3)CC1)CCC2 ZINC000215051013 241102113 /nfs/dbraw/zinc/10/21/13/241102113.db2.gz VRIULDIHBSKOBX-UHFFFAOYSA-N 0 3 346.540 3.197 50 0 EGAAHN Cc1ccc(Oc2ccc(CN3CC[C@@](O)(CO)C3)cc2)cc1C ZINC000215220172 241115706 /nfs/dbraw/zinc/11/57/06/241115706.db2.gz LIGLBJLQMZGGLF-FQEVSTJZSA-N 0 3 327.424 3.025 50 0 EGAAHN CC(C)CN(Cc1cnn(C)c1)Cc1cc(F)ccc1-n1cccn1 ZINC000216003167 241156474 /nfs/dbraw/zinc/15/64/74/241156474.db2.gz PCDNDRNIFPWKOC-UHFFFAOYSA-N 0 3 341.434 3.403 50 0 EGAAHN CN(Cc1cnc(NCc2ccccc2)nc1)C1CCSCC1 ZINC000215363063 241123651 /nfs/dbraw/zinc/12/36/51/241123651.db2.gz XTHVBJMVIIEGLH-UHFFFAOYSA-N 0 3 328.485 3.416 50 0 EGAAHN CN1[C@@H]2CC[C@H]1CCN(Cc1nc(-c3ccccc3Cl)no1)C2 ZINC000244787743 243082389 /nfs/dbraw/zinc/08/23/89/243082389.db2.gz QCYHCKMHHRKOGF-QWHCGFSZSA-N 0 3 332.835 3.059 50 0 EGAAHN OCC[C@H]1CN(Cc2cc3ccccc3[nH]2)CCN1C1CCCCC1 ZINC000020540926 212145338 /nfs/dbraw/zinc/14/53/38/212145338.db2.gz ZHTYOEOMAGSGRF-FQEVSTJZSA-N 0 3 341.499 3.369 50 0 EGAAHN OCC[C@H]1CN(C2CCCCCC2)CCN1Cc1ccccc1F ZINC000020515979 212142840 /nfs/dbraw/zinc/14/28/40/212142840.db2.gz VTSJRMDBFVTSHM-IBGZPJMESA-N 0 3 334.479 3.417 50 0 EGAAHN CCN1CCN(CCCCOc2cccc(Br)c2)CC1 ZINC000020390483 212124694 /nfs/dbraw/zinc/12/46/94/212124694.db2.gz QIKDBAKOJWTZID-UHFFFAOYSA-N 0 3 341.293 3.246 50 0 EGAAHN Cc1ccc(OCC(=O)N2CCN(C3CCCCCC3)CC2)cc1 ZINC000019789965 212066292 /nfs/dbraw/zinc/06/62/92/212066292.db2.gz XWBQRIVUOBTFEX-UHFFFAOYSA-N 0 3 330.472 3.241 50 0 EGAAHN CC[C@@H](Oc1cc(C)ccc1Cl)C(=O)NC1CCN(CC)CC1 ZINC000013326225 211546053 /nfs/dbraw/zinc/54/60/53/211546053.db2.gz TWNIOWPXNPFOGK-MRXNPFEDSA-N 0 3 338.879 3.406 50 0 EGAAHN Cc1ccccc1Oc1ncccc1CNC(=O)C1CCN(C)CC1 ZINC000012318221 211345230 /nfs/dbraw/zinc/34/52/30/211345230.db2.gz NUDOWJKVFUHSMY-UHFFFAOYSA-N 0 3 339.439 3.140 50 0 EGAAHN CN(CCc1ccccn1)c1ncccc1CNC1CCSCC1 ZINC000012308356 211340965 /nfs/dbraw/zinc/34/09/65/211340965.db2.gz GHLGXZKHXLGEQR-UHFFFAOYSA-N 0 3 342.512 3.141 50 0 EGAAHN O=C1N(CC2CCCCC2)CCC[C@]12CCN(Cc1ccncc1)C2 ZINC000012306276 211340600 /nfs/dbraw/zinc/34/06/00/211340600.db2.gz KCSUNSKWJVZYPJ-OAQYLSRUSA-N 0 3 341.499 3.476 50 0 EGAAHN C[C@@H](CN1C(=O)CC[C@H]1CCNCc1cccnc1)c1ccccc1 ZINC000011881202 211264582 /nfs/dbraw/zinc/26/45/82/211264582.db2.gz MJPOPKQFHXFYQG-PXNSSMCTSA-N 0 3 337.467 3.356 50 0 EGAAHN Cc1ccccc1[C@H]1CCN(CCNC(=O)c2cc(C(C)C)no2)C1 ZINC000091846582 218075872 /nfs/dbraw/zinc/07/58/72/218075872.db2.gz WEJNQAGTJARNNO-INIZCTEOSA-N 0 3 341.455 3.326 50 0 EGAAHN COCCn1ccnc1[C@H]1CCCN(C/C=C/c2ccccc2)C1 ZINC000091965341 218095705 /nfs/dbraw/zinc/09/57/05/218095705.db2.gz CGVLYDTVEDGRMT-SQUITACLSA-N 0 3 325.456 3.422 50 0 EGAAHN CCCCSc1nc(N)cc(N2CC[C@H](N3CCCCC3)C2)n1 ZINC000095372310 218305042 /nfs/dbraw/zinc/30/50/42/218305042.db2.gz CBHDLBLATXGXLF-AWEZNQCLSA-N 0 3 335.521 3.016 50 0 EGAAHN Cc1ccc([O-])c(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3CC3CCC3)C2)c1 ZINC000095390825 218322999 /nfs/dbraw/zinc/32/29/99/218322999.db2.gz SITIAKPKDCBXCB-IAGOWNOFSA-N 0 3 328.456 3.037 50 0 EGAAHN Cc1ccc([O-])c(C(=O)N2C[C@H]3CC[C@H](C[N@@H+]3CC3CCC3)C2)c1 ZINC000095390825 218323001 /nfs/dbraw/zinc/32/30/01/218323001.db2.gz SITIAKPKDCBXCB-IAGOWNOFSA-N 0 3 328.456 3.037 50 0 EGAAHN Cc1ccc2nccc(N3CCC([C@@H](C)N4CCOCC4)CC3)c2c1 ZINC000095391778 218323521 /nfs/dbraw/zinc/32/35/21/218323521.db2.gz PTHOHRYIQGKWNI-QGZVFWFLSA-N 0 3 339.483 3.480 50 0 EGAAHN O=c1c2cc(Cl)ccc2occ1[C@@H]1NCC[C@@]2(O)CCCC[C@H]12 ZINC000005093942 210387782 /nfs/dbraw/zinc/38/77/82/210387782.db2.gz KHDRMEPKJVXMQZ-HFTRVMKXSA-N 0 3 333.815 3.402 50 0 biogenic EGAAHN COc1ccc(NC(=S)NCCN2CCC(C)CC2)cc1Cl ZINC000005064774 210382357 /nfs/dbraw/zinc/38/23/57/210382357.db2.gz LWULRPYIMPIYQD-UHFFFAOYSA-N 0 3 341.908 3.367 50 0 EGAAHN O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)Nc1ccc(F)nc1 ZINC000299789448 258095412 /nfs/dbraw/zinc/09/54/12/258095412.db2.gz XLYRXVKPWMDNBN-MRXNPFEDSA-N 0 3 342.418 3.254 50 0 EGAAHN CC(C)c1cc(NC(=O)N2CCN(C3CCCCC3)CC2)n(C)n1 ZINC000299798254 258102455 /nfs/dbraw/zinc/10/24/55/258102455.db2.gz XFXFUKFMFYVMMF-UHFFFAOYSA-N 0 3 333.480 3.026 50 0 EGAAHN Cn1ccnc1C(=O)[C@@H]1CCCN(CCSc2ccccc2)C1 ZINC000072161188 258064489 /nfs/dbraw/zinc/06/44/89/258064489.db2.gz YUOAMIWVVCDIIB-OAHLLOKOSA-N 0 3 329.469 3.107 50 0 EGAAHN C[C@H](CN1C(=O)CC[C@@H]1CCNCc1ccccn1)c1ccccc1 ZINC000299756090 258074495 /nfs/dbraw/zinc/07/44/95/258074495.db2.gz COCSWJMAFKHGAU-YLJYHZDGSA-N 0 3 337.467 3.356 50 0 EGAAHN Cc1ccc(NC2(C(=O)NC[C@H]3CCCN(C)C3)CCCC2)cc1 ZINC000067819207 292161197 /nfs/dbraw/zinc/16/11/97/292161197.db2.gz IHEJTPCTDKJRAL-QGZVFWFLSA-N 0 3 329.488 3.178 50 0 EGAAHN O=C1Nc2ccccc2C12CCN(CCOc1ccc(F)cc1)CC2 ZINC000072165271 275024956 /nfs/dbraw/zinc/02/49/56/275024956.db2.gz QZCBYCZQNQPIBU-UHFFFAOYSA-N 0 3 340.398 3.190 50 0 EGAAHN CCN(CCN1CCCCCC1)C(=O)c1cc(C)nc2onc(C)c21 ZINC000055326260 276124438 /nfs/dbraw/zinc/12/44/38/276124438.db2.gz LSMFAZOCTCTGAT-UHFFFAOYSA-N 0 3 344.459 3.178 50 0 EGAAHN COc1cc(Cl)c(CN2CC(N3CCCC[C@@H]3C)C2)cc1OC ZINC000240163553 455263384 /nfs/dbraw/zinc/26/33/84/455263384.db2.gz JBXBQMBRPRLAEJ-ZDUSSCGKSA-N 0 3 338.879 3.416 50 0 EGAAHN COC(=O)c1ccc2[nH]c(C)c(CN3CCCC[C@@H]3C)c(=O)c2c1 ZINC000008714042 453224597 /nfs/dbraw/zinc/22/45/97/453224597.db2.gz GBCCLUZCDSBFPZ-LBPRGKRZSA-N 0 3 328.412 3.410 50 0 EGAAHN COC(=O)c1ccc2[nH]c(C)c(CN3CCC[C@H](C)C3)c(=O)c2c1 ZINC000008714112 453226294 /nfs/dbraw/zinc/22/62/94/453226294.db2.gz NADCGHPAPIMHJY-LBPRGKRZSA-N 0 3 328.412 3.267 50 0 EGAAHN CCC(CC)N1CCN(Cc2ccc(OC)c(C)c2)[C@@H](CCO)C1 ZINC000023145580 453705442 /nfs/dbraw/zinc/70/54/42/453705442.db2.gz WFGJGKHMIHUCNJ-IBGZPJMESA-N 0 3 334.504 3.061 50 0 EGAAHN CN(C)[C@H](CNC(=O)c1ccsc1)c1cn(C)c2ccccc12 ZINC000075149135 453867350 /nfs/dbraw/zinc/86/73/50/453867350.db2.gz WXDPDVSVLVZSNM-QGZVFWFLSA-N 0 3 327.453 3.273 50 0 EGAAHN Cc1ccc(CN(CCN(C)C)C(=O)c2cc(C(C)C)nn2C)cc1 ZINC000082138966 453925843 /nfs/dbraw/zinc/92/58/43/453925843.db2.gz PAGGHCSBTGYPCA-UHFFFAOYSA-N 0 3 342.487 3.056 50 0 EGAAHN N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1csc(-c2cccs2)n1 ZINC000082156053 453927118 /nfs/dbraw/zinc/92/71/18/453927118.db2.gz JMJXOJNRHLTKRD-WFASDCNBSA-N 0 3 341.461 3.226 50 0 EGAAHN CN(C)C[C@H]1CSCCCN1C(=O)/C=C/c1ccccc1Cl ZINC000085473123 454030805 /nfs/dbraw/zinc/03/08/05/454030805.db2.gz GNRBXEXQIKKOGU-HVHJFMEUSA-N 0 3 338.904 3.249 50 0 EGAAHN CN1CCCC[C@H]1CCn1cnc2c(cccc2C(F)(F)F)c1=O ZINC000043135993 454043035 /nfs/dbraw/zinc/04/30/35/454043035.db2.gz MGNOFUIBXBONHZ-LBPRGKRZSA-N 0 3 339.361 3.290 50 0 EGAAHN O=C(CCC(=O)N1CCCN(C2CCCC2)CC1)c1ccc(F)cc1 ZINC000077440247 454106070 /nfs/dbraw/zinc/10/60/70/454106070.db2.gz VQDKAWJCQMCDBQ-UHFFFAOYSA-N 0 3 346.446 3.266 50 0 EGAAHN O=C(NCCCn1ccnc1)Nc1cccc(CN2CCCCC2)c1 ZINC000058065945 454162737 /nfs/dbraw/zinc/16/27/37/454162737.db2.gz CVBMIOLYDZMUCU-UHFFFAOYSA-N 0 3 341.459 3.081 50 0 EGAAHN CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)OCc2ccccc2)C[C@H]1N ZINC000071791419 454218043 /nfs/dbraw/zinc/21/80/43/454218043.db2.gz CSXFKPWYLDEBEW-CVEARBPZSA-N 0 3 348.443 3.052 50 0 EGAAHN Cc1nn(C)c2nc(N(C)Cc3ccccc3CN(C)C)sc12 ZINC000095517346 454226051 /nfs/dbraw/zinc/22/60/51/454226051.db2.gz XCFSZGDSRAHYGS-UHFFFAOYSA-N 0 3 329.473 3.036 50 0 EGAAHN Cc1cnn(C2CCCC2)c1NC(=O)N1CC[C@@H]2CC[C@H](C1)N2C ZINC000095522676 454227207 /nfs/dbraw/zinc/22/72/07/454227207.db2.gz LCNDARAIVQWBHS-GOEBONIOSA-N 0 3 331.464 3.007 50 0 EGAAHN COc1ccc(CCNCC(=O)Nc2c(C)cccc2C)cc1OC ZINC000096027749 454264708 /nfs/dbraw/zinc/26/47/08/454264708.db2.gz PMZRIGJLLHSMCD-UHFFFAOYSA-N 0 3 342.439 3.091 50 0 EGAAHN Cc1ccnc(NC[C@H]2CCN(Cc3nnc(-c4ccccc4)o3)C2)c1 ZINC000097200680 454423101 /nfs/dbraw/zinc/42/31/01/454423101.db2.gz FQZPWGUNCCGGAT-MRXNPFEDSA-N 0 3 349.438 3.374 50 0 EGAAHN CC[C@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccnn1C ZINC000065395181 454558874 /nfs/dbraw/zinc/55/88/74/454558874.db2.gz GZSOBHMSUQMNDR-SFHVURJKSA-N 0 3 340.471 3.287 50 0 EGAAHN COc1ccccc1-n1nc(C2CC2)nc1-c1ccc(CN(C)C)o1 ZINC000065398716 454560652 /nfs/dbraw/zinc/56/06/52/454560652.db2.gz NAMIGUFHAGIIGE-UHFFFAOYSA-N 0 3 338.411 3.475 50 0 EGAAHN CCN(Cc1noc(C)n1)C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000065528830 454584974 /nfs/dbraw/zinc/58/49/74/454584974.db2.gz YRRSCYLIVSLIMD-UHFFFAOYSA-N 0 3 342.443 3.026 50 0 EGAAHN CC[C@@H](NC(=O)c1cccc(CN2CCCCCC2)c1)C1CC(O)C1 ZINC000223248878 456055434 /nfs/dbraw/zinc/05/54/34/456055434.db2.gz IJLCMHWYSGVSAL-SOAGJPPSSA-N 0 3 344.499 3.342 50 0 EGAAHN O=C(/C=C/c1cccs1)N1CC[C@@H](N2CCc3ccccc3C2)C1 ZINC000225684671 456102592 /nfs/dbraw/zinc/10/25/92/456102592.db2.gz AXLRTMCUHPRZHX-LKGOPFMKSA-N 0 3 338.476 3.421 50 0 EGAAHN COCCN1CC[C@H](CNC(=O)c2cccc(-c3ccsc3)c2)C1 ZINC000299774508 456780517 /nfs/dbraw/zinc/78/05/17/456780517.db2.gz DCHVCHZBRGVLHB-OAHLLOKOSA-N 0 3 344.480 3.113 50 0 EGAAHN C[C@H]1CCCCN1CCN(C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000426503152 457843519 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EGAAHN CC(=O)NCC[C@@H]1CCCCN1Cc1cccc(OC(F)(F)F)c1 ZINC000072150060 216037855 /nfs/dbraw/zinc/03/78/55/216037855.db2.gz LSHWIQFBAMIWAJ-HNNXBMFYSA-N 0 3 344.377 3.466 50 0 EGAAHN COCCCN(C(=O)Nc1ccc2occc2c1)C1CCN(C)CC1 ZINC000072154554 216044163 /nfs/dbraw/zinc/04/41/63/216044163.db2.gz WXMOTKGSFXHOBT-UHFFFAOYSA-N 0 3 345.443 3.397 50 0 EGAAHN OC[C@]1(O)CCCN(Cc2ccc(Oc3ccccc3)cc2)CC1 ZINC000072166786 216056571 /nfs/dbraw/zinc/05/65/71/216056571.db2.gz FRGIOGQLCZNOLY-FQEVSTJZSA-N 0 3 327.424 3.188 50 0 EGAAHN Cc1nccn1CCCN1CCC[C@@H]1c1nc2cc(F)ccc2[nH]1 ZINC000072166955 216057595 /nfs/dbraw/zinc/05/75/95/216057595.db2.gz FBAQWZOTWWTGKS-QGZVFWFLSA-N 0 3 327.407 3.434 50 0 EGAAHN Cc1nccn1CCCN1CCC[C@@H]1c1nc2ccc(F)cc2[nH]1 ZINC000072166955 216057596 /nfs/dbraw/zinc/05/75/96/216057596.db2.gz FBAQWZOTWWTGKS-QGZVFWFLSA-N 0 3 327.407 3.434 50 0 EGAAHN c1nc(CN2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)cs1 ZINC000072173825 216063850 /nfs/dbraw/zinc/06/38/50/216063850.db2.gz JIFYDTBKLYFJJJ-IPMKNSEASA-N 0 3 325.481 3.205 50 0 EGAAHN Cc1ncc2c(c1CNC(=O)[C@@H](c1ccccc1)C(C)C)CCNC2 ZINC000072407450 216197853 /nfs/dbraw/zinc/19/78/53/216197853.db2.gz WJPIIQGQCIWPAP-HXUWFJFHSA-N 0 3 337.467 3.092 50 0 EGAAHN Cc1cc(C)c(NC(=O)CCc2cc3n(n2)CCCNC3)c(Cl)c1 ZINC000072422002 216210326 /nfs/dbraw/zinc/21/03/26/216210326.db2.gz KROPKGYGBCOYSU-UHFFFAOYSA-N 0 3 346.862 3.218 50 0 EGAAHN COc1ccc(CN2CCC([C@@H](C)[NH+]3CCCC3)CC2)cc1C(=O)[O-] ZINC000072422293 216211353 /nfs/dbraw/zinc/21/13/53/216211353.db2.gz VIIRJRJSLZJGIK-OAHLLOKOSA-N 0 3 346.471 3.090 50 0 EGAAHN Cc1nn2c(nc(C)cc2NC[C@@H]2Cc3ccccc3CN2C)c1C ZINC000072438493 216232721 /nfs/dbraw/zinc/23/27/21/216232721.db2.gz XOYYBHOGLVLHJI-SFHVURJKSA-N 0 3 335.455 3.123 50 0 EGAAHN O[C@H](c1ccccn1)C1CCN(Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000215901216 241153212 /nfs/dbraw/zinc/15/32/12/241153212.db2.gz XGCDCPLSNAGBBU-NRFANRHFSA-N 0 3 348.450 3.213 50 0 EGAAHN c1cc(-c2ccc(CN3CCC(OCc4ccccn4)CC3)o2)n[nH]1 ZINC000215896074 241154823 /nfs/dbraw/zinc/15/48/23/241154823.db2.gz YZHLPZFKQSHPJM-UHFFFAOYSA-N 0 3 338.411 3.246 50 0 EGAAHN CC[C@H](C)Sc1ncc(CN2CCC(c3ccn[nH]3)CC2)cn1 ZINC000215536537 241132786 /nfs/dbraw/zinc/13/27/86/241132786.db2.gz QOELHPMQNWTCRK-ZDUSSCGKSA-N 0 3 331.489 3.470 50 0 EGAAHN CN1CCN(Cc2cccc(-n3cccn3)c2)C[C@@H]1c1ccccc1 ZINC000216529989 241202609 /nfs/dbraw/zinc/20/26/09/241202609.db2.gz JXGZWEXVWDXOEC-OAQYLSRUSA-N 0 3 332.451 3.361 50 0 EGAAHN CN(C)[C@@H](CNC(=O)c1cc(-c2cccs2)on1)c1ccccc1 ZINC000021805607 212252142 /nfs/dbraw/zinc/25/21/42/212252142.db2.gz SSRFITDCJPKMBT-HNNXBMFYSA-N 0 3 341.436 3.436 50 0 EGAAHN CCn1cc(CN2CCC[C@H](N(C)Cc3ccccc3)C2)c(C)n1 ZINC000020910167 212186323 /nfs/dbraw/zinc/18/63/23/212186323.db2.gz BFJLMODQZHEUNU-FQEVSTJZSA-N 0 3 326.488 3.308 50 0 EGAAHN c1cnn(-c2ccccc2CN2CC(c3nc4ccccc4[nH]3)C2)c1 ZINC000244700969 243060519 /nfs/dbraw/zinc/06/05/19/243060519.db2.gz JXKFHPIHACPHQF-UHFFFAOYSA-N 0 3 329.407 3.348 50 0 EGAAHN Cc1nc(CN(C)C[C@@H]2CN(Cc3ccccc3)CCCO2)cs1 ZINC000244774104 243079569 /nfs/dbraw/zinc/07/95/69/243079569.db2.gz POBYRTHWNMXDAF-LJQANCHMSA-N 0 3 345.512 3.174 50 0 EGAAHN C[C@@H]1CCCCN1CCN(C)Cc1nnc(-c2cccc(F)c2)o1 ZINC000244716044 243067928 /nfs/dbraw/zinc/06/79/28/243067928.db2.gz LHHORPWJWWPIMS-CQSZACIVSA-N 0 3 332.423 3.182 50 0 EGAAHN COCc1ccc(CN[C@H]2CCCN(Cc3cccc(OC)c3)C2)o1 ZINC000020600851 212151488 /nfs/dbraw/zinc/15/14/88/212151488.db2.gz UHZJJSSROCITNH-KRWDZBQOSA-N 0 3 344.455 3.189 50 0 EGAAHN COc1ccc(OC)c(CN2CCN([C@@H]3CCC[C@H](C)C3)CC2)c1 ZINC000019842208 212075396 /nfs/dbraw/zinc/07/53/96/212075396.db2.gz UCKWNIGSCCMYBV-FUHWJXTLSA-N 0 3 332.488 3.400 50 0 EGAAHN COc1cc(OC)c(OC)cc1CN1CCN(C2CCCCC2)CC1 ZINC000019594981 212050736 /nfs/dbraw/zinc/05/07/36/212050736.db2.gz QJEVEXDPDAIJRR-UHFFFAOYSA-N 0 3 348.487 3.163 50 0 EGAAHN CC(C)CN1CCN(Cc2ccc(F)cc2Cl)C[C@@H]1CCO ZINC000019301111 212014033 /nfs/dbraw/zinc/01/40/33/212014033.db2.gz WTNNZFCCPAZUPX-INIZCTEOSA-N 0 3 328.859 3.004 50 0 EGAAHN CCn1cc(CN2CCC[C@](CO)(CCc3ccccc3)C2)c(C)n1 ZINC000012465808 211389588 /nfs/dbraw/zinc/38/95/88/211389588.db2.gz IIGLSJJHBPLNBQ-NRFANRHFSA-N 0 3 341.499 3.419 50 0 EGAAHN Cc1cc(C(=O)N[C@@H]2CCCN(CCc3ccccc3)C2)c(C)o1 ZINC000012442221 211383290 /nfs/dbraw/zinc/38/32/90/211383290.db2.gz AANGVJPSFAEHHA-GOSISDBHSA-N 0 3 326.440 3.333 50 0 EGAAHN COCC[C@]1(CO)CCCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000092080929 218116695 /nfs/dbraw/zinc/11/66/95/218116695.db2.gz SMBHHXOYERPUSV-MRXNPFEDSA-N 0 3 331.378 3.316 50 0 EGAAHN COCC[C@@]1(CO)CCCN(Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000092082023 218117625 /nfs/dbraw/zinc/11/76/25/218117625.db2.gz ZYWCQOGYAWBMCX-FQEVSTJZSA-N 0 3 333.472 3.011 50 0 EGAAHN CCN(Cc1ccc(SC)cc1)C(=O)NCCN1CCCCC1 ZINC000426640385 257960252 /nfs/dbraw/zinc/96/02/52/257960252.db2.gz KAVXEKIIMNMCBH-UHFFFAOYSA-N 0 3 335.517 3.426 50 0 EGAAHN CN(C)CCN(CCO)C(=O)c1cccc(-c2cccc(Cl)c2)c1 ZINC000299778840 258088197 /nfs/dbraw/zinc/08/81/97/258088197.db2.gz HXVQEBFDCYHPGF-UHFFFAOYSA-N 0 3 346.858 3.003 50 0 EGAAHN Cc1ncc2c(c1-c1noc(-c3ccc4ccccc4n3)n1)CCNC2 ZINC000020138073 258056978 /nfs/dbraw/zinc/05/69/78/258056978.db2.gz HTLYNXSXDJXJDT-UHFFFAOYSA-N 0 3 343.390 3.301 50 0 EGAAHN COc1ccccc1CN1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000000317599 452563784 /nfs/dbraw/zinc/56/37/84/452563784.db2.gz OYSCDBSWRZINFQ-INIZCTEOSA-N 0 3 330.472 3.166 50 0 EGAAHN COc1ccc([C@H](C(=O)O[C@H](C)CN(C)C)c2ccccc2)cc1 ZINC000000453969 452596485 /nfs/dbraw/zinc/59/64/85/452596485.db2.gz AONWBQYJROPGGV-DNVCBOLYSA-N 0 3 327.424 3.320 50 0 EGAAHN COc1ccc2[nH]c3nc(SCCN4CCCCC4)nnc3c2c1 ZINC000009340837 453250776 /nfs/dbraw/zinc/25/07/76/453250776.db2.gz JXYWHBDGYMZXEE-UHFFFAOYSA-N 0 3 343.456 3.093 50 0 EGAAHN CCN(CC)C[C@H](O)COc1ccc2c(c1)c(C(C)=O)c(C)n2CC ZINC000012421899 453362589 /nfs/dbraw/zinc/36/25/89/453362589.db2.gz IONBRLMGTCOYJH-INIZCTEOSA-N 0 3 346.471 3.254 50 0 EGAAHN CC(C)c1ccc(NC(=O)CC2C(=O)N=C3Nc4ccccc4N32)cc1 ZINC000013688426 453480533 /nfs/dbraw/zinc/48/05/33/453480533.db2.gz KOWVJCIGJCFBND-KRWDZBQOSA-N 0 3 348.406 3.336 50 0 EGAAHN Cc1ccccc1CN1CCc2nnc(CCc3ccccc3)n2CC1 ZINC000014958980 453549675 /nfs/dbraw/zinc/54/96/75/453549675.db2.gz NOOBSYHJNCOPBC-UHFFFAOYSA-N 0 3 346.478 3.430 50 0 EGAAHN CC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC1CCN(C)CC1 ZINC000016580378 453612471 /nfs/dbraw/zinc/61/24/71/453612471.db2.gz LYMHIYKYSLXAOE-AWEZNQCLSA-N 0 3 345.270 3.361 50 0 EGAAHN Cc1ccc(C(C)C)c(OC(C)(C)C(=O)NC2CCN(C)CC2)c1 ZINC000016602472 453614399 /nfs/dbraw/zinc/61/43/99/453614399.db2.gz JIDOPHCLBCWOBM-UHFFFAOYSA-N 0 3 332.488 3.486 50 0 EGAAHN CC[C@@H](Oc1cc(C)c(Cl)c(C)c1)C(=O)NC1CCN(C)CC1 ZINC000016605100 453615949 /nfs/dbraw/zinc/61/59/49/453615949.db2.gz JDMOMLQYONPFNZ-MRXNPFEDSA-N 0 3 338.879 3.325 50 0 EGAAHN COc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 ZINC000027582235 453818850 /nfs/dbraw/zinc/81/88/50/453818850.db2.gz TWKCDFZUBMKNTI-INIZCTEOSA-N 0 3 330.453 3.324 50 0 EGAAHN CN(C)c1ccc(C(=O)N2CCCC[C@H](N(C)C)C2)c2ccccc21 ZINC000082121857 453925488 /nfs/dbraw/zinc/92/54/88/453925488.db2.gz YHFSCILEOJNCKM-INIZCTEOSA-N 0 3 339.483 3.462 50 0 EGAAHN CCCCN1C[C@@]2(CCCN(Cc3c(C)noc3C)C2)CCC1=O ZINC000077419461 454104451 /nfs/dbraw/zinc/10/44/51/454104451.db2.gz PLBKAQUAJNOABM-IBGZPJMESA-N 0 3 333.476 3.296 50 0 EGAAHN C[C@@H]1CCCCN1C1CN(c2nccc(CCC(F)(F)F)n2)C1 ZINC000071405621 454206682 /nfs/dbraw/zinc/20/66/82/454206682.db2.gz PTJOWTRKZNIWEP-GFCCVEGCSA-N 0 3 328.382 3.035 50 0 EGAAHN Cc1nnc(CN2CCCN(Cc3ccc(F)cc3)[C@H](C(C)C)C2)o1 ZINC000071749528 454213360 /nfs/dbraw/zinc/21/33/60/454213360.db2.gz KDGBUCKXRPQKHU-SFHVURJKSA-N 0 3 346.450 3.250 50 0 EGAAHN CC(=O)c1ccc(NC(=O)N2CCCN(C3CCCC3)CC2)cc1 ZINC000095507427 454223478 /nfs/dbraw/zinc/22/34/78/454223478.db2.gz MNQMPDQLOWQZMW-UHFFFAOYSA-N 0 3 329.444 3.371 50 0 EGAAHN CN1CC[C@@]2(C1)CCCN(C(=O)Nc1cc(F)c(F)cc1F)C2 ZINC000096138123 454291618 /nfs/dbraw/zinc/29/16/18/454291618.db2.gz ROMQBOFTVXFIIU-MRXNPFEDSA-N 0 3 327.350 3.054 50 0 EGAAHN CCc1ccc(CN2CCC3(CCC(=O)N(CCCOC)C3)CC2)o1 ZINC000091829636 454478321 /nfs/dbraw/zinc/47/83/21/454478321.db2.gz LWQWYXPUJANLBS-UHFFFAOYSA-N 0 3 348.487 3.083 50 0 EGAAHN O=C(NCC1=CCCN([C@@H]2C=CCCC2)C1)c1ccnc(Cl)c1 ZINC000065387487 454557424 /nfs/dbraw/zinc/55/74/24/454557424.db2.gz LHUVWGQDBDHUFW-MRXNPFEDSA-N 0 3 331.847 3.206 50 0 EGAAHN Cc1nn(C)c(C)c1CN(CCC(=O)Nc1ccccc1F)C(C)C ZINC000065384813 454557503 /nfs/dbraw/zinc/55/75/03/454557503.db2.gz STAZAPVUFGTKTL-UHFFFAOYSA-N 0 3 346.450 3.415 50 0 EGAAHN CC(=O)N(C)c1ccc(NC(=O)CNCc2cccc(C)c2C)cc1 ZINC000065386860 454557791 /nfs/dbraw/zinc/55/77/91/454557791.db2.gz CKJHYJUMGYVZHV-UHFFFAOYSA-N 0 3 339.439 3.014 50 0 EGAAHN CCc1nc(C)c(CNC(=O)C2(N3CCCC3)CCCCC2)s1 ZINC000223453746 456057722 /nfs/dbraw/zinc/05/77/22/456057722.db2.gz YBDBEMBHBMXDEK-UHFFFAOYSA-N 0 3 335.517 3.429 50 0 EGAAHN CC[C@@H](c1cccnc1)N(C)C(=O)NCc1ccccc1CN(C)C ZINC000534663325 459344853 /nfs/dbraw/zinc/34/48/53/459344853.db2.gz HIXYMUXBPGPWQF-IBGZPJMESA-N 0 3 340.471 3.436 50 0 EGAAHN Cc1nc([C@@H](C)NC2CCN(C(=O)c3cccs3)CC2)cs1 ZINC000584895064 459819826 /nfs/dbraw/zinc/81/98/26/459819826.db2.gz OVEVSKAYNSERHP-LLVKDONJSA-N 0 3 335.498 3.468 50 0 EGAAHN COc1ccc([C@H](C)N(C)C(=O)CN2CCCCCC2)c(OC)c1 ZINC000824573034 1320265280 /nfs/dbraw/zinc/26/52/80/1320265280.db2.gz GBOFNTKFGYWQEP-HNNXBMFYSA-N 0 3 334.460 3.099 50 0 EGAAHN C[C@@H](CN1CCc2ccccc2C1)NCc1cnc(-c2ccco2)nc1 ZINC000952981105 1334630089 /nfs/dbraw/zinc/63/00/89/1334630089.db2.gz CBIWJALSNRIXOC-INIZCTEOSA-N 0 3 348.450 3.273 50 0 EGAAHN CC[C@H](NC(=O)C1CCN(Cc2ccco2)CC1)c1cccc(C)n1 ZINC000952988606 1334631563 /nfs/dbraw/zinc/63/15/63/1334631563.db2.gz OMWAOGCKYZNHAL-SFHVURJKSA-N 0 3 341.455 3.463 50 0 EGAAHN CN(CCCOc1ccc(Cl)cc1)C(=O)CN(C)C1CCCC1 ZINC000952990950 1334631937 /nfs/dbraw/zinc/63/19/37/1334631937.db2.gz NODZLLQNEXEDRW-UHFFFAOYSA-N 0 3 338.879 3.442 50 0 EGAAHN c1cnn(CCC2CCN(C[C@H]3CC(c4ccccc4)=NO3)CC2)c1 ZINC001704353879 1416453637 /nfs/dbraw/zinc/45/36/37/1416453637.db2.gz UWULUWFNDNXKKP-LJQANCHMSA-N 0 3 338.455 3.178 50 0 EGAAHN CCSC[C@H](C)N1CCCN(C(=O)c2cccc(F)c2F)CC1 ZINC001772811247 1441417632 /nfs/dbraw/zinc/41/76/32/1441417632.db2.gz UVDWIFMVOOUCER-ZDUSSCGKSA-N 0 3 342.455 3.254 50 0 EGAAHN CCc1oc(C(=O)NCc2cc(C3CC3)[nH]n2)cc1CN(CC)CC ZINC000055383233 214314365 /nfs/dbraw/zinc/31/43/65/214314365.db2.gz BGWLXTQVJGVBLQ-UHFFFAOYSA-N 0 3 344.459 3.214 50 0 EGAAHN COc1cc(CN(CCN(C)C)Cc2ccsc2)cc2c1OCO2 ZINC000055393582 214318503 /nfs/dbraw/zinc/31/85/03/214318503.db2.gz VVFHKSYFFBCVIU-UHFFFAOYSA-N 0 3 348.468 3.049 50 0 EGAAHN CCOc1ccc2nc(CN(C)[C@H](C)Cc3cnccn3)ccc2c1 ZINC000097784983 219056895 /nfs/dbraw/zinc/05/68/95/219056895.db2.gz ULWZNJXUGZPWRX-OAHLLOKOSA-N 0 3 336.439 3.487 50 0 EGAAHN COc1cc(CN2CCN(C3Cc4ccccc4C3)CC2)ccc1F ZINC000097805478 219058150 /nfs/dbraw/zinc/05/81/50/219058150.db2.gz XIECWKPMKIMTAD-UHFFFAOYSA-N 0 3 340.442 3.119 50 0 EGAAHN CCN1CCC(N(CCCO)C(=O)Nc2cccc(Cl)c2)CC1 ZINC000004556367 210220307 /nfs/dbraw/zinc/22/03/07/210220307.db2.gz IRJJNHXJPMKKKX-UHFFFAOYSA-N 0 3 339.867 3.041 50 0 EGAAHN C[C@H](CO)NCc1cccnc1Oc1cccc(C(F)(F)F)c1 ZINC000067673015 215176942 /nfs/dbraw/zinc/17/69/42/215176942.db2.gz HTGMEWVOFUQEHC-LLVKDONJSA-N 0 3 326.318 3.363 50 0 EGAAHN CSc1ccc(CN2CCN(CC(C)(C)C)[C@H](CCO)C2)cc1 ZINC000104393330 219384076 /nfs/dbraw/zinc/38/40/76/219384076.db2.gz YOFZKULZUAEGTN-QGZVFWFLSA-N 0 3 336.545 3.323 50 0 EGAAHN COc1ccccc1/C=C/CN1CCN(C2CCCC2)[C@H](CCO)C1 ZINC000039509692 213237544 /nfs/dbraw/zinc/23/75/44/213237544.db2.gz QHBDWZIGYFBVLA-CPSHHHPTSA-N 0 3 344.499 3.020 50 0 EGAAHN c1csc(CN2CCCN(Cc3ccc4c(c3)OCCO4)CC2)c1 ZINC000072144881 216030663 /nfs/dbraw/zinc/03/06/63/216030663.db2.gz MBDQUKKHQSSKIE-UHFFFAOYSA-N 0 3 344.480 3.227 50 0 EGAAHN CC1(C(=O)N2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CCN3CC2)CC1 ZINC000072170437 216062657 /nfs/dbraw/zinc/06/26/57/216062657.db2.gz BLDQHVPBBUFYNJ-RCCFBDPRSA-N 0 3 328.431 3.014 50 0 EGAAHN COc1cccc(NC(=O)N(CCN(C)C)[C@H](C)c2cccnc2)c1 ZINC000000262117 209507990 /nfs/dbraw/zinc/50/79/90/209507990.db2.gz DSKCUZKZABNRJU-OAHLLOKOSA-N 0 3 342.443 3.247 50 0 EGAAHN COc1ccc(CN2CCC([C@H](C)[NH+]3CCCC3)CC2)cc1C(=O)[O-] ZINC000072422292 216211332 /nfs/dbraw/zinc/21/13/32/216211332.db2.gz VIIRJRJSLZJGIK-HNNXBMFYSA-N 0 3 346.471 3.090 50 0 EGAAHN CN1CCC(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000072425803 216216637 /nfs/dbraw/zinc/21/66/37/216216637.db2.gz SSIBBGOXLQLKEM-MRXNPFEDSA-N 0 3 329.271 3.461 50 0 EGAAHN Cc1cc(N2CCC[C@@H](CCc3ccc(F)c(F)c3)C2)nc(N)n1 ZINC000072478312 216256620 /nfs/dbraw/zinc/25/66/20/216256620.db2.gz LJAJGSCPMHBSQV-AWEZNQCLSA-N 0 3 332.398 3.495 50 0 EGAAHN O=c1cc(-c2cccnc2)nc(-c2ccc(C[NH+]3CCCCC3)cc2)[n-]1 ZINC000023478595 212379639 /nfs/dbraw/zinc/37/96/39/212379639.db2.gz QDSUISGOLKTZAS-UHFFFAOYSA-N 0 3 346.434 3.485 50 0 EGAAHN Cc1n[nH]c(C)c1C[C@H](C)N1CCC(n2cc(C(C)(C)C)nn2)CC1 ZINC000023232269 212362415 /nfs/dbraw/zinc/36/24/15/212362415.db2.gz 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/nfs/dbraw/zinc/10/19/51/212101951.db2.gz ONOFBWYTZFCIRJ-AWEZNQCLSA-N 0 3 345.443 3.124 50 0 EGAAHN COc1ccc(CN2CCC(NC(=O)NC3CCCCC3)CC2)cc1 ZINC000019894198 212081197 /nfs/dbraw/zinc/08/11/97/212081197.db2.gz SJLWULVPDSDUHH-UHFFFAOYSA-N 0 3 345.487 3.292 50 0 EGAAHN O=C(C1CCCC1)N1CC[C@H](C2CCN(Cc3cccnc3)CC2)C1 ZINC000012319883 211343665 /nfs/dbraw/zinc/34/36/65/211343665.db2.gz DFDBWWLDKOCBHW-FQEVSTJZSA-N 0 3 341.499 3.332 50 0 EGAAHN O=C1CCN(CCCc2ccccc2)CCN1Cc1ccccc1F ZINC000012218661 211322811 /nfs/dbraw/zinc/32/28/11/211322811.db2.gz JHZGVMGHEVDKEP-UHFFFAOYSA-N 0 3 340.442 3.493 50 0 EGAAHN CCOC(=O)[C@@]1(Cc2ccccc2)CCCN(Cc2cccnc2)C1 ZINC000011937711 211272199 /nfs/dbraw/zinc/27/21/99/211272199.db2.gz CUZYGVILJLAUID-OAQYLSRUSA-N 0 3 338.451 3.470 50 0 EGAAHN O=C1N(C2CCCCC2)CCC[C@@]12CCN(Cc1ccncc1)C2 ZINC000091486443 218013133 /nfs/dbraw/zinc/01/31/33/218013133.db2.gz OQUXPOJNKXDTAG-FQEVSTJZSA-N 0 3 327.472 3.229 50 0 EGAAHN CSCCC(=O)N(CCc1ccccc1)CC1CCN(C)CC1 ZINC000011720299 211240154 /nfs/dbraw/zinc/24/01/54/211240154.db2.gz MSPKTGDRTPFRJC-UHFFFAOYSA-N 0 3 334.529 3.153 50 0 EGAAHN CC(=O)Nc1ccc(CN[C@H]2CC(=O)N(C3CCCCCC3)C2)cc1 ZINC000011816758 211249806 /nfs/dbraw/zinc/24/98/06/211249806.db2.gz ICWTZVQZIDSESG-SFHVURJKSA-N 0 3 343.471 3.058 50 0 EGAAHN CC(C)[C@@H]1C[C@@](CC(=O)NCCN(C)C)(Cc2ccccc2)CCO1 ZINC000009576316 211104225 /nfs/dbraw/zinc/10/42/25/211104225.db2.gz HGFFXCQYWZSSNI-FPOVZHCZSA-N 0 3 346.515 3.118 50 0 EGAAHN Cc1cccc(C(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3)n1 ZINC000095375849 218308580 /nfs/dbraw/zinc/30/85/80/218308580.db2.gz VDGWBQBPSKYSBC-RTBURBONSA-N 0 3 335.451 3.127 50 0 EGAAHN CC(C)n1ccnc1[C@H]1CCCN(CCC(=O)NC2CCCCC2)C1 ZINC000095378423 218311427 /nfs/dbraw/zinc/31/14/27/218311427.db2.gz UNXGXRAIWWJAAN-KRWDZBQOSA-N 0 3 346.519 3.482 50 0 EGAAHN CC(C)=CCN1C[C@H]2CC[C@@H]1CN(C(=O)c1n[nH]c3ccccc31)C2 ZINC000095391349 218323042 /nfs/dbraw/zinc/32/30/42/218323042.db2.gz JBQZRTRGQNAESK-HZPDHXFCSA-N 0 3 338.455 3.066 50 0 EGAAHN COc1cc(OC)cc(C(=O)N2CCN(C3CCCCCC3)CC2)c1 ZINC000005022462 210365890 /nfs/dbraw/zinc/36/58/90/210365890.db2.gz SFZXOHTWJUWBSV-UHFFFAOYSA-N 0 3 346.471 3.184 50 0 EGAAHN CCNC(=O)[C@@H]1CCN(Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000097601151 219040258 /nfs/dbraw/zinc/04/02/58/219040258.db2.gz PBUTUGJCAAPQFV-LJQANCHMSA-N 0 3 338.451 3.224 50 0 EGAAHN CCCCN1CCn2nc(CNc3nc(C)nc(C)c3CC)cc2C1 ZINC000299800137 258103563 /nfs/dbraw/zinc/10/35/63/258103563.db2.gz WIDMYQBEAMJNLU-UHFFFAOYSA-N 0 3 342.491 3.080 50 0 EGAAHN Cc1ccccc1CN1CCN(Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000057598760 258061757 /nfs/dbraw/zinc/06/17/57/258061757.db2.gz UEARAADAGHMJCO-UHFFFAOYSA-N 0 3 346.478 3.499 50 0 EGAAHN O=C(CCN1CCc2ccccc2CC1)c1ccc2c(c1)OCCO2 ZINC000000177679 452529298 /nfs/dbraw/zinc/52/92/98/452529298.db2.gz ZCDKQGFVOBMWRO-UHFFFAOYSA-N 0 3 337.419 3.131 50 0 EGAAHN COc1ccc(CN[C@H](C)[C@H]2COc3ccccc3O2)c(OC)c1 ZINC000000189264 452530539 /nfs/dbraw/zinc/53/05/39/452530539.db2.gz AWPDVLXZHUFYBN-BFUOFWGJSA-N 0 3 329.396 3.022 50 0 biogenic EGAAHN CCOc1cc(CNCCO)ccc1OCc1ccc(Cl)cc1 ZINC000002845954 452729950 /nfs/dbraw/zinc/72/99/50/452729950.db2.gz SOVVDEPLUNEQOL-UHFFFAOYSA-N 0 3 335.831 3.400 50 0 EGAAHN CC(=O)CCC(=O)N(C)C[C@@H]1CCCN(CCc2ccccc2C)C1 ZINC000012572882 453375617 /nfs/dbraw/zinc/37/56/17/453375617.db2.gz PJAGYRPZIMUDAJ-IBGZPJMESA-N 0 3 344.499 3.077 50 0 EGAAHN CCOC(=O)C1(C[C@H]2CCCCO2)CCN(CCCSC)CC1 ZINC000012570350 453375839 /nfs/dbraw/zinc/37/58/39/453375839.db2.gz VOPOZGXGGXWOHX-MRXNPFEDSA-N 0 3 343.533 3.344 50 0 EGAAHN CC[C@H](Oc1cc(C)c(Cl)c(C)c1)C(=O)NC1CCN(C)CC1 ZINC000016605102 453616170 /nfs/dbraw/zinc/61/61/70/453616170.db2.gz JDMOMLQYONPFNZ-INIZCTEOSA-N 0 3 338.879 3.325 50 0 EGAAHN CCn1c(C)cc(O)c([C@@H](c2cccnc2)N2CCC(C)CC2)c1=O ZINC000022697443 453696909 /nfs/dbraw/zinc/69/69/09/453696909.db2.gz HEOYAAYLBSVADQ-LJQANCHMSA-N 0 3 341.455 3.099 50 0 EGAAHN O=C(COc1ccccc1)NC[C@H](c1cccs1)N1CCCC1 ZINC000027584133 453819244 /nfs/dbraw/zinc/81/92/44/453819244.db2.gz UQKDNKFSLHVMPX-MRXNPFEDSA-N 0 3 330.453 3.080 50 0 EGAAHN O=C(COc1ccc(F)cc1)NC[C@H](c1cccs1)N1CCCC1 ZINC000027664243 453819761 /nfs/dbraw/zinc/81/97/61/453819761.db2.gz XTKDDLBUCGBNRM-MRXNPFEDSA-N 0 3 348.443 3.219 50 0 EGAAHN CN(C)[C@H]1CCCCN(C(=O)c2ccc(-c3ccccc3)n2C)C1 ZINC000082098616 453924229 /nfs/dbraw/zinc/92/42/29/453924229.db2.gz DPTRNSOZIQZRHT-KRWDZBQOSA-N 0 3 325.456 3.248 50 0 EGAAHN CCCc1cc(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)no1 ZINC000082161063 453926847 /nfs/dbraw/zinc/92/68/47/453926847.db2.gz FMVOOKIYLHPSJI-SFHVURJKSA-N 0 3 327.428 3.194 50 0 EGAAHN CC(C)n1cnnc1CN(C)Cc1cc(CN2CCCC2)cs1 ZINC000077287527 454085661 /nfs/dbraw/zinc/08/56/61/454085661.db2.gz VGEVWLYKVNDGPF-UHFFFAOYSA-N 0 3 333.505 3.148 50 0 EGAAHN Cc1nccn1CC[C@H]1CCCCN1Cc1ccc(N(C)C)nc1 ZINC000077505835 454115494 /nfs/dbraw/zinc/11/54/94/454115494.db2.gz NPXDSLAKLSAYRM-GOSISDBHSA-N 0 3 327.476 3.097 50 0 EGAAHN CCN(CC)CC(=O)N1CCC[C@@H](CCc2ccc(F)cc2F)C1 ZINC000071416235 454206790 /nfs/dbraw/zinc/20/67/90/454206790.db2.gz GONZKUHAYJVVCO-HNNXBMFYSA-N 0 3 338.442 3.478 50 0 EGAAHN CCN1CCC[C@@H]1CNC(=O)c1cc(C(C)C)nn1-c1ccccc1 ZINC000095473109 454219622 /nfs/dbraw/zinc/21/96/22/454219622.db2.gz WPTINIYUVHXKRJ-QGZVFWFLSA-N 0 3 340.471 3.210 50 0 EGAAHN Cc1nn(C)c2nc(N[C@H]3CCN(Cc4ccccc4)C3)sc12 ZINC000095527890 454228582 /nfs/dbraw/zinc/22/85/82/454228582.db2.gz QXVDXLAWFZJDLB-AWEZNQCLSA-N 0 3 327.457 3.025 50 0 EGAAHN Fc1ccc(CN2CCC[C@]3(CCN(c4ncccn4)C3)C2)cc1 ZINC000072127354 454273045 /nfs/dbraw/zinc/27/30/45/454273045.db2.gz SGXLRYLGLGTKGR-IBGZPJMESA-N 0 3 326.419 3.108 50 0 EGAAHN C/C(=C\c1ccco1)[C@H]1CC(=O)Nc2c1cnn2C1CCN(C)CC1 ZINC000065396092 454558721 /nfs/dbraw/zinc/55/87/21/454558721.db2.gz RGORYXJKESTWOQ-QSOAKEGCSA-N 0 3 340.427 3.272 50 0 EGAAHN CC[C@@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccnn1C ZINC000065395182 454559181 /nfs/dbraw/zinc/55/91/81/454559181.db2.gz GZSOBHMSUQMNDR-GOSISDBHSA-N 0 3 340.471 3.287 50 0 EGAAHN CCOC(=O)N1CCC(N[C@H](C)c2nc3c(s2)CCCC3)CC1 ZINC000065404280 454560360 /nfs/dbraw/zinc/56/03/60/454560360.db2.gz REZUNHQXKCHARP-GFCCVEGCSA-N 0 3 337.489 3.293 50 0 EGAAHN Cc1nc([C@H]2CCCN(Cc3ccco3)C2)n(-c2ccnc(C)c2)n1 ZINC000065499813 454578440 /nfs/dbraw/zinc/57/84/40/454578440.db2.gz DZJQHAIQILZYDO-INIZCTEOSA-N 0 3 337.427 3.252 50 0 EGAAHN COc1cccc2ccc(CN3CC(N4CCCC[C@@H]4C)C3)nc21 ZINC000252499081 455815407 /nfs/dbraw/zinc/81/54/07/455815407.db2.gz RVGPBCWETSQOFV-HNNXBMFYSA-N 0 3 325.456 3.302 50 0 EGAAHN CCN1CCN(CCCOc2cc(Br)ccc2C)CC1 ZINC000230533343 456138919 /nfs/dbraw/zinc/13/89/19/456138919.db2.gz NLPLPFKCYFLPSK-UHFFFAOYSA-N 0 3 341.293 3.164 50 0 EGAAHN Cc1ccc(CCNC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)o1 ZINC000426372545 457813716 /nfs/dbraw/zinc/81/37/16/457813716.db2.gz YPQPDLCVDAWGNE-SFHVURJKSA-N 0 3 341.455 3.046 50 0 EGAAHN Cc1ccc2c(c1)CN(C[C@@H](O)Cc1cccc(Cl)c1)CCO2 ZINC000558110665 459132186 /nfs/dbraw/zinc/13/21/86/459132186.db2.gz QSIQBYQCLVKAGI-SFHVURJKSA-N 0 3 331.843 3.446 50 0 EGAAHN COc1c(N)ccnc1-c1ccc(C(=O)N2CCCCCC2)cc1 ZINC000584894279 459819530 /nfs/dbraw/zinc/81/95/30/459819530.db2.gz UPBHHMQOLJWKJH-UHFFFAOYSA-N 0 3 325.412 3.356 50 0 EGAAHN CC(C)N1CCC[C@]2(CCN(Cc3cncn3C3CCCC3)C2)C1=O ZINC000091931969 1292850777 /nfs/dbraw/zinc/85/07/77/1292850777.db2.gz DEMYSVKFALCGQF-HXUWFJFHSA-N 0 3 344.503 3.221 50 0 EGAAHN O=C(NCC1CCN(Cc2ccsc2)CC1)c1cncc(Cl)c1 ZINC000825607451 1320349337 /nfs/dbraw/zinc/34/93/37/1320349337.db2.gz XQIHLTNPNDGLKD-UHFFFAOYSA-N 0 3 349.887 3.439 50 0 EGAAHN CC(C)C1=NO[C@H](C(=O)Nc2ccccc2CN2CCCCC2)C1 ZINC000952869260 1334583873 /nfs/dbraw/zinc/58/38/73/1334583873.db2.gz ZBJXQASHMFFLRS-SFHVURJKSA-N 0 3 329.444 3.412 50 0 EGAAHN CC(C)NC(=O)c1ccc(NC(=O)[C@H](C)N(C)C2CCCCC2)cc1 ZINC000952966512 1334626286 /nfs/dbraw/zinc/62/62/86/1334626286.db2.gz VICSPQAAABFTBV-HNNXBMFYSA-N 0 3 345.487 3.416 50 0 EGAAHN Cc1nn(C)c(Cl)c1CNCCN1CC[C@@H](c2ccccc2C)C1 ZINC000952983425 1334629717 /nfs/dbraw/zinc/62/97/17/1334629717.db2.gz DWDLEWLHYXDGMZ-MRXNPFEDSA-N 0 3 346.906 3.269 50 0 EGAAHN 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50 0 EGAAHN COc1cccc2c1OC[C@@H](NCc1ccc(OC(F)F)cc1)C2 ZINC000019301140 212013760 /nfs/dbraw/zinc/01/37/60/212013760.db2.gz BLKSCLBGHXOAII-AWEZNQCLSA-N 0 3 335.350 3.390 50 0 EGAAHN O=C1CC[C@@H](CCNCc2cccnc2)N1CCCc1ccccc1 ZINC000012098935 211291794 /nfs/dbraw/zinc/29/17/94/211291794.db2.gz RCLQNJPLDHJPJL-FQEVSTJZSA-N 0 3 337.467 3.185 50 0 EGAAHN COc1ccc(/C=C/CN2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)cc1 ZINC000091382242 218000470 /nfs/dbraw/zinc/00/04/70/218000470.db2.gz ZUDPYLPIIKSCNQ-RSMHPUSESA-N 0 3 345.483 3.208 50 0 EGAAHN Cc1cccc(OCCN2CCC3(CCC(=O)N(C)C3)CC2)c1C ZINC000091616544 218031650 /nfs/dbraw/zinc/03/16/50/218031650.db2.gz JRVOPAJKSZMTCB-UHFFFAOYSA-N 0 3 330.472 3.017 50 0 EGAAHN CN1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc(N3CCCC3)c(Cl)c1)C2 ZINC000091526421 218017592 /nfs/dbraw/zinc/01/75/92/218017592.db2.gz CHTGGBUKSRNWLL-GDBMZVCRSA-N 0 3 347.890 3.106 50 0 EGAAHN Cn1c(C(=O)N2C[C@H](N)[C@@H](c3ccccc3)C2)ccc1-c1ccccc1 ZINC000091595831 218029704 /nfs/dbraw/zinc/02/97/04/218029704.db2.gz 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/nfs/dbraw/zinc/36/39/87/210363987.db2.gz UPODAAUDYZWWIL-UHFFFAOYSA-N 0 3 347.286 3.204 50 0 EGAAHN C[C@@H](Cc1cnccn1)N(C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000097259247 219006109 /nfs/dbraw/zinc/00/61/09/219006109.db2.gz BPIPYRAGBZUKCN-ZDUSSCGKSA-N 0 3 325.391 3.069 50 0 EGAAHN Cc1ccc(NC(=O)N2CCC[C@@](CO)(CN(C)C)C2)cc1C(C)C ZINC000299757468 258075534 /nfs/dbraw/zinc/07/55/34/258075534.db2.gz KAMOIOBJRBCTJH-HXUWFJFHSA-N 0 3 347.503 3.286 50 0 EGAAHN c1ccc(CN2CCCO[C@H](COc3ccc4c(c3)OCO4)C2)cc1 ZINC000340047187 155081476 /nfs/dbraw/zinc/08/14/76/155081476.db2.gz MLEVPDAWDZMPCT-SFHVURJKSA-N 0 3 341.407 3.085 50 0 EGAAHN COCCN(C(=O)CC12CC3CC(CC(C3)C1)C2)C1CCN(C)CC1 ZINC000055401556 292388590 /nfs/dbraw/zinc/38/85/90/292388590.db2.gz UWHLLRZILSXJSX-UHFFFAOYSA-N 0 3 348.531 3.162 50 0 EGAAHN Cc1[nH]c2c(cc(F)cc2F)c1CCNC(=O)[C@H]1CCCCCN1C ZINC000244724284 455275633 /nfs/dbraw/zinc/27/56/33/455275633.db2.gz MREDYCKXQHSKRV-QGZVFWFLSA-N 0 3 349.425 3.288 50 0 EGAAHN Cc1cccc(S(=O)(=O)N(C)[C@H](C)CCN2CCC(C)CC2)c1 ZINC000000007275 452491991 /nfs/dbraw/zinc/49/19/91/452491991.db2.gz AGVNHDNTFYHZNL-QGZVFWFLSA-N 0 3 338.517 3.126 50 0 in-vivo EGAAHN S=C1NC2(CCN(Cc3ccccc3)CC2)N=C1c1ccccc1 ZINC000006817146 452993325 /nfs/dbraw/zinc/99/33/25/452993325.db2.gz AOBCABIXZSRBPE-UHFFFAOYSA-N 0 3 335.476 3.399 50 0 EGAAHN COc1cc(OC)c2[nH]c(C)c(CN3CCC[C@H](C)C3)c(=O)c2c1 ZINC000008717254 453226137 /nfs/dbraw/zinc/22/61/37/453226137.db2.gz IJKUODPAXURUOV-LBPRGKRZSA-N 0 3 330.428 3.498 50 0 EGAAHN COc1cc(OC)c2[n-]c(C)c(C[N@@H+]3CCC[C@H](C)C3)c(=O)c2c1 ZINC000008717254 453226144 /nfs/dbraw/zinc/22/61/44/453226144.db2.gz IJKUODPAXURUOV-LBPRGKRZSA-N 0 3 330.428 3.498 50 0 EGAAHN COc1cc(OC)c2[n-]c(C)c(C[N@H+]3CCC[C@H](C)C3)c(=O)c2c1 ZINC000008717254 453226151 /nfs/dbraw/zinc/22/61/51/453226151.db2.gz IJKUODPAXURUOV-LBPRGKRZSA-N 0 3 330.428 3.498 50 0 EGAAHN COc1cc(OC)c2[nH]c(C)c(CN3CCC(C)CC3)c(=O)c2c1 ZINC000008717253 453226399 /nfs/dbraw/zinc/22/63/99/453226399.db2.gz 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/nfs/dbraw/zinc/86/70/31/453867031.db2.gz WXDPDVSVLVZSNM-KRWDZBQOSA-N 0 3 327.453 3.273 50 0 EGAAHN CC[C@@H](CO)N(Cc1cccs1)Cc1ccc(NC(C)=O)cc1 ZINC000055341669 453977848 /nfs/dbraw/zinc/97/78/48/453977848.db2.gz OXQOQIKZDTVETN-KRWDZBQOSA-N 0 3 332.469 3.480 50 0 EGAAHN CCCCc1ccc(-n2cc(CN3C[C@@H]4CCN(C)[C@@H]4C3)cn2)cc1 ZINC000077408406 454102432 /nfs/dbraw/zinc/10/24/32/454102432.db2.gz XIAACTIUOLPCJN-PZJWPPBQSA-N 0 3 338.499 3.351 50 0 EGAAHN CCCc1nnc2sc(C3(c4ccccc4)CCN(C)CC3)nn12 ZINC000071764246 454216471 /nfs/dbraw/zinc/21/64/71/454216471.db2.gz JCQHQTHIYZFVIL-UHFFFAOYSA-N 0 3 341.484 3.150 50 0 EGAAHN C[C@@H]1CCCCN1Cc1cccc(NC(=O)NCC2(C)COC2)c1 ZINC000095500882 454222657 /nfs/dbraw/zinc/22/26/57/454222657.db2.gz JUMWHNGBJIEJNX-OAHLLOKOSA-N 0 3 331.460 3.219 50 0 EGAAHN CCC[C@@H]1CN(Cc2[nH]c3ccc(OC)cc3c2C)C[C@H]1NC(C)=O ZINC000095515114 454224963 /nfs/dbraw/zinc/22/49/63/454224963.db2.gz XMRFYLYMUMJIQF-FOIQADDNSA-N 0 3 343.471 3.222 50 0 EGAAHN Cc1nc2ccc(-c3nc(CC4CCN(C)CC4)no3)cc2nc1C ZINC000095509555 454225221 /nfs/dbraw/zinc/22/52/21/454225221.db2.gz FXCBEIGKJSALTK-UHFFFAOYSA-N 0 3 337.427 3.181 50 0 EGAAHN CN1CC[C@]2(C1)CCCN(C(=O)Nc1cc(F)c(F)cc1F)C2 ZINC000096138124 454292243 /nfs/dbraw/zinc/29/22/43/454292243.db2.gz ROMQBOFTVXFIIU-INIZCTEOSA-N 0 3 327.350 3.054 50 0 EGAAHN CN(C)[C@@H](CNC(=O)Nc1ccc(F)cc1)c1ccc2c(c1)CCO2 ZINC000090607308 454327660 /nfs/dbraw/zinc/32/76/60/454327660.db2.gz XDAVLEBCIKXDNW-KRWDZBQOSA-N 0 3 343.402 3.185 50 0 EGAAHN CCc1nnc2n1C[C@H](NCc1ccc(-c3ccccc3F)o1)CC2 ZINC000097199350 454421561 /nfs/dbraw/zinc/42/15/61/454421561.db2.gz PLKZFDMLTQPXEE-CYBMUJFWSA-N 0 3 340.402 3.344 50 0 EGAAHN CN1CCCCC[C@H]1C(=O)N1CCC(Oc2cccc(F)c2)CC1 ZINC000091364676 454430138 /nfs/dbraw/zinc/43/01/38/454430138.db2.gz IJJWIRSWOBSSSJ-SFHVURJKSA-N 0 3 334.435 3.070 50 0 EGAAHN Cc1cc(C)n(C2CN(Cc3ccc(CN4CCCC4)s3)C2)n1 ZINC000097480173 454437666 /nfs/dbraw/zinc/43/76/66/454437666.db2.gz QIMVSMPVDBOHQU-UHFFFAOYSA-N 0 3 330.501 3.214 50 0 EGAAHN Cc1nn(CCN2CCCC2)cc1CN1CCC[C@@H]1c1ccccn1 ZINC000065453624 454569415 /nfs/dbraw/zinc/56/94/15/454569415.db2.gz CMJXKJFKSDNHQN-HXUWFJFHSA-N 0 3 339.487 3.019 50 0 EGAAHN CCc1nc(C)c(C(=O)NCCN2CC[C@@H](c3ccccc3C)C2)o1 ZINC000065457111 454570026 /nfs/dbraw/zinc/57/00/26/454570026.db2.gz OWMCZZMIQIAMRS-MRXNPFEDSA-N 0 3 341.455 3.073 50 0 EGAAHN Cc1ccc(C)c(NC(=O)CCN2CC(N3CCCC[C@H]3C)C2)c1 ZINC000252488691 455810487 /nfs/dbraw/zinc/81/04/87/455810487.db2.gz IXADAHZEJRETEH-QGZVFWFLSA-N 0 3 329.488 3.191 50 0 EGAAHN Cc1nn(CCO)c(C)c1CN1CC[C@H](c2cccc(Cl)c2)C1 ZINC000215937925 456026657 /nfs/dbraw/zinc/02/66/57/456026657.db2.gz LCQNQJDZCGEHDL-INIZCTEOSA-N 0 3 333.863 3.135 50 0 EGAAHN CSC[C@H]1CCCN(C(=O)NCc2ccc(CN(C)C)cc2)C1 ZINC000426606809 457862318 /nfs/dbraw/zinc/86/23/18/457862318.db2.gz VOGVVGSTSQSROX-KRWDZBQOSA-N 0 3 335.517 3.033 50 0 EGAAHN C[C@H](NC(=O)N(C)CC[NH+]1CCCCCC1)c1ccc([O-])c(F)c1 ZINC000584889084 548099061 /nfs/dbraw/zinc/09/90/61/548099061.db2.gz XAAJKQXRDXDMPN-AWEZNQCLSA-N 0 3 337.439 3.110 50 0 EGAAHN Cc1nc(C)c(C)c(NC[C@@H](c2cccnc2)N2CCCCC2)n1 ZINC000825269843 1320322453 /nfs/dbraw/zinc/32/24/53/1320322453.db2.gz GELIQORUHZTCSF-SFHVURJKSA-N 0 3 325.460 3.436 50 0 EGAAHN c1ccc2sc(C[C@@H]3CC[C@H](CN4CCCOCC4)O3)nc2c1 ZINC000952854473 1334581493 /nfs/dbraw/zinc/58/14/93/1334581493.db2.gz IWGIXOGVBHPDPD-LSDHHAIUSA-N 0 3 332.469 3.109 50 0 EGAAHN C[C@H]1CCC(=O)N1c1cccc(NC(=O)CN(C)C2CCCC2)c1 ZINC000952976146 1334628367 /nfs/dbraw/zinc/62/83/67/1334628367.db2.gz QESUZRMHCQIWIS-AWEZNQCLSA-N 0 3 329.444 3.015 50 0 EGAAHN COCCCN(Cc1ccc(C)cc1)C(=O)CN1CCCCCC1 ZINC000952980836 1334629450 /nfs/dbraw/zinc/62/94/50/1334629450.db2.gz SOHSXRFMACYIPW-UHFFFAOYSA-N 0 3 332.488 3.236 50 0 EGAAHN Cc1csc(SCC(=O)N(C)[C@H](CN(C)C)c2ccccc2)n1 ZINC000952987536 1334631325 /nfs/dbraw/zinc/63/13/25/1334631325.db2.gz JUSVPYRTLLRURH-OAHLLOKOSA-N 0 3 349.525 3.305 50 0 EGAAHN Cc1nccn1CC[C@@H]1CCCCN1CC(=O)N(C)c1ccccc1 ZINC001704350324 1416452643 /nfs/dbraw/zinc/45/26/43/1416452643.db2.gz IMLZLAMJSIADLJ-IBGZPJMESA-N 0 3 340.471 3.099 50 0 EGAAHN Cc1ccc(CN(CCN(C)C)Cc2nc3ccccc3[nH]2)s1 ZINC000055090265 214272055 /nfs/dbraw/zinc/27/20/55/214272055.db2.gz AMUUTGYNBBHPEZ-UHFFFAOYSA-N 0 3 328.485 3.497 50 0 EGAAHN O=C1C[C@H](NCCCc2ccccc2)C(=O)N1c1ccc(Cl)cc1 ZINC000003901328 210087374 /nfs/dbraw/zinc/08/73/74/210087374.db2.gz FPIXPIVUEWXAQP-KRWDZBQOSA-N 0 3 342.826 3.194 50 0 EGAAHN CN(C)CCn1c(SCc2ccccc2)nc2ccccc2c1=O ZINC000067258686 215129084 /nfs/dbraw/zinc/12/90/84/215129084.db2.gz ATSOVMJPXYZJTA-UHFFFAOYSA-N 0 3 339.464 3.250 50 0 EGAAHN O=C(NC[C@H]1CCN(Cc2cccc(O)c2)C1)c1cc2ccccc2[nH]1 ZINC000067459202 215147775 /nfs/dbraw/zinc/14/77/75/215147775.db2.gz GUJPTGSVANNTPG-MRXNPFEDSA-N 0 3 349.434 3.125 50 0 EGAAHN Cc1ccc(CN2CC[C@@H](CNC(=O)CC(F)(F)F)C2)cc1F ZINC000067840130 215225723 /nfs/dbraw/zinc/22/57/23/215225723.db2.gz INZNAVOBVWEUKD-ZDUSSCGKSA-N 0 3 332.341 3.025 50 0 EGAAHN Cc1c[nH]c(C(=O)N2C[C@@H](c3ccc(C)cc3)[C@@H]3[C@H]2C2CCN3CC2)c1 ZINC000072152532 216040518 /nfs/dbraw/zinc/04/05/18/216040518.db2.gz FJDQWLKVYBFATJ-CEWLAPEOSA-N 0 3 349.478 3.334 50 0 EGAAHN Cn1ncc(CN2CCCN(Cc3ccccc3F)CC2)c1C1CC1 ZINC000072166505 216055014 /nfs/dbraw/zinc/05/50/14/216055014.db2.gz PIOKOWSCOXMDIC-UHFFFAOYSA-N 0 3 342.462 3.145 50 0 EGAAHN CCCn1ccnc1[C@H]1c2nc[nH]c2CCN1Cc1cc(C)c(C)o1 ZINC000072428551 216218994 /nfs/dbraw/zinc/21/89/94/216218994.db2.gz PIAWNPKXDVACNI-GOSISDBHSA-N 0 3 339.443 3.374 50 0 EGAAHN CC(C)(O)CCc1ccc(C(=O)N2CCC[C@H]2CN2CCCC2)cc1 ZINC000072475945 216253232 /nfs/dbraw/zinc/25/32/32/216253232.db2.gz BMOIYDNEBTXYCR-IBGZPJMESA-N 0 3 344.499 3.091 50 0 EGAAHN Cc1nc2ccccn2c1CN1CCC([C@@H](O)Cc2ccccc2)CC1 ZINC000072481012 216262215 /nfs/dbraw/zinc/26/22/15/216262215.db2.gz BXESUAQSUIQVBS-NRFANRHFSA-N 0 3 349.478 3.458 50 0 EGAAHN O=C(c1cccc(C(F)(F)F)c1)N1CC[C@H](N2CCCCC2)C1 ZINC000215149456 241108751 /nfs/dbraw/zinc/10/87/51/241108751.db2.gz AKAYQQOTUKTWIG-HNNXBMFYSA-N 0 3 326.362 3.406 50 0 EGAAHN c1oc(-c2ccccc2)nc1CN1CCN(C2CCSCC2)CC1 ZINC000215996136 241155681 /nfs/dbraw/zinc/15/56/81/241155681.db2.gz IYSKIHPIOLNBSY-UHFFFAOYSA-N 0 3 343.496 3.355 50 0 EGAAHN c1ccc(C(CN2CCN(c3cnccn3)CC2)c2ccccc2)cc1 ZINC000215478094 241128749 /nfs/dbraw/zinc/12/87/49/241128749.db2.gz NCNRGNFKYORWFJ-UHFFFAOYSA-N 0 3 344.462 3.431 50 0 EGAAHN c1cc(-c2ccc(CN3CCN(C4CCSCC4)CC3)s2)n[nH]1 ZINC000215609848 241134938 /nfs/dbraw/zinc/13/49/38/241134938.db2.gz PAEMDWFFVPSGSE-UHFFFAOYSA-N 0 3 348.541 3.151 50 0 EGAAHN C[C@@H](C(=O)N1CCCC1)N(CCCO)Cc1cccc2ccccc21 ZINC000244794550 243082273 /nfs/dbraw/zinc/08/22/73/243082273.db2.gz QOUSSSMXJRAXMJ-KRWDZBQOSA-N 0 3 340.467 3.035 50 0 EGAAHN COc1cccc2c1OC[C@@H](NCc1cc3c(cc1Cl)OCO3)C2 ZINC000020451515 212130960 /nfs/dbraw/zinc/13/09/60/212130960.db2.gz ROIAJYDAGKBFSW-ZDUSSCGKSA-N 0 3 347.798 3.171 50 0 EGAAHN c1ccc2c(c1)[nH]c1nc(SCCCN3CCCCC3)nnc21 ZINC000019799537 212070083 /nfs/dbraw/zinc/07/00/83/212070083.db2.gz ANBMXVQUXKZYNY-UHFFFAOYSA-N 0 3 327.457 3.474 50 0 EGAAHN COc1ccc(OC)c(CN(CCN(C)C)Cc2ccccc2)c1 ZINC000019361830 212021288 /nfs/dbraw/zinc/02/12/88/212021288.db2.gz QMLKSJXYVPBUCN-UHFFFAOYSA-N 0 3 328.456 3.268 50 0 EGAAHN Cc1cccc(CN2CCC[C@@]3(CCN(Cc4cccnc4)C3)C2=O)c1 ZINC000012200884 211319362 /nfs/dbraw/zinc/31/93/62/211319362.db2.gz QORGRKBSKCCERN-QFIPXVFZSA-N 0 3 349.478 3.405 50 0 EGAAHN CC(C)(C)c1oc(C(N)=O)cc1CN1CCC[C@@](CO)(CC2CC2)C1 ZINC000091391308 218001068 /nfs/dbraw/zinc/00/10/68/218001068.db2.gz RFGPUPBXUAREMP-HXUWFJFHSA-N 0 3 348.487 3.051 50 0 EGAAHN CN(C(=O)/C=C/c1ccccn1)[C@H]1CCCN(CCc2ccccc2)C1 ZINC000011938394 211272802 /nfs/dbraw/zinc/27/28/02/211272802.db2.gz DNVJTVVMVQXGKG-IWGBCORSSA-N 0 3 349.478 3.260 50 0 EGAAHN Cc1ccccc1[C@@H]1CCN(CCNC(=O)c2cc(C(C)C)no2)C1 ZINC000091846577 218076425 /nfs/dbraw/zinc/07/64/25/218076425.db2.gz WEJNQAGTJARNNO-MRXNPFEDSA-N 0 3 341.455 3.326 50 0 EGAAHN Cc1cc(C)c2[nH]c(CN3CCC[C@H](c4cc[nH]n4)C3)cc(=O)c2c1 ZINC000092062238 218111379 /nfs/dbraw/zinc/11/13/79/218111379.db2.gz QKXHIQLPNXECDM-HNNXBMFYSA-N 0 3 336.439 3.248 50 0 EGAAHN C(c1noc(C2CCCC2)n1)N1C[C@H]2CC[C@H](CN2CC2CCC2)C1 ZINC000095380309 218312763 /nfs/dbraw/zinc/31/27/63/218312763.db2.gz WKQAZWOWPQMXJX-FUHWJXTLSA-N 0 3 344.503 3.424 50 0 EGAAHN CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)Nc1cc(C)c(F)cc1Cl ZINC000299776916 258087340 /nfs/dbraw/zinc/08/73/40/258087340.db2.gz FIFZMWQATSRNBA-GJZGRUSLSA-N 0 3 343.830 3.017 50 0 EGAAHN CN(C)Cc1ccc([C@H]2CCCN2C(=O)c2ncc(F)cc2F)cc1 ZINC000299786025 258093017 /nfs/dbraw/zinc/09/30/17/258093017.db2.gz SKUORNDYDNMNMF-QGZVFWFLSA-N 0 3 345.393 3.399 50 0 EGAAHN CN1CCC(N(CCc2ccccc2)C(=O)CC(F)(F)F)CC1 ZINC000072477813 258064736 /nfs/dbraw/zinc/06/47/36/258064736.db2.gz YYLZIULFTXSYKK-UHFFFAOYSA-N 0 3 328.378 3.104 50 0 EGAAHN COc1cccc2cccc([C@H]3NC(=N)Nc4nc5ccccc5n43)c21 ZINC000004741784 278043629 /nfs/dbraw/zinc/04/36/29/278043629.db2.gz XHELBNITNZANBT-SFHVURJKSA-N 0 3 343.390 3.294 50 0 EGAAHN COc1ccc(CN2CCC[C@@H](C(=O)N3CCCCCC3)C2)cc1 ZINC000000212091 452536297 /nfs/dbraw/zinc/53/62/97/452536297.db2.gz BXUMZSCTKAQEKH-GOSISDBHSA-N 0 3 330.472 3.310 50 0 EGAAHN COc1ccccc1CN1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000000317684 452564398 /nfs/dbraw/zinc/56/43/98/452564398.db2.gz QJTAQFWGYYGRHQ-UHFFFAOYSA-N 0 3 330.472 3.166 50 0 EGAAHN CCN(CC)CCOC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000001834539 452678607 /nfs/dbraw/zinc/67/86/07/452678607.db2.gz YWLDYYUJRSMOSF-UHFFFAOYSA-N 0 3 347.455 3.155 50 0 biogenic EGAAHN O=C(CCN(CCO)Cc1ccccc1)Nc1ccccc1Cl ZINC000002760785 452720927 /nfs/dbraw/zinc/72/09/27/452720927.db2.gz VPMUEECIUKPEHP-UHFFFAOYSA-N 0 3 332.831 3.163 50 0 EGAAHN COc1cc(CNCCO)ccc1OCc1c(F)cccc1Cl ZINC000008471335 453204916 /nfs/dbraw/zinc/20/49/16/453204916.db2.gz XRVWLKPAPDCHSH-UHFFFAOYSA-N 0 3 339.794 3.149 50 0 EGAAHN COC(=O)c1ccc2[nH]c(C)c(CN3CCCC[C@H]3C)c(=O)c2c1 ZINC000008714043 453225558 /nfs/dbraw/zinc/22/55/58/453225558.db2.gz GBCCLUZCDSBFPZ-GFCCVEGCSA-N 0 3 328.412 3.410 50 0 EGAAHN COc1ccc(C(=O)N2CCCC2)c(OC2CCN(C(C)C)CC2)c1 ZINC000012596527 453382522 /nfs/dbraw/zinc/38/25/22/453382522.db2.gz TWYPQVFOAQLIMU-UHFFFAOYSA-N 0 3 346.471 3.183 50 0 EGAAHN Cc1ccc(NC(=O)CC2N=C(N3CCc4ccccc43)NC2=O)cc1 ZINC000013723901 453483526 /nfs/dbraw/zinc/48/35/26/453483526.db2.gz KXIDQSLZBBXTSM-INIZCTEOSA-N 0 3 348.406 3.081 50 0 EGAAHN CCc1ccc(OCC(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)cc1 ZINC000028289257 453822946 /nfs/dbraw/zinc/82/29/46/453822946.db2.gz YCPGGQZYMHKWQB-FQEVSTJZSA-N 0 3 340.467 3.355 50 0 EGAAHN CCCCCCN1CCCn2nc(CNC(=O)C3CCC3)cc2C1 ZINC000082136723 453926265 /nfs/dbraw/zinc/92/62/65/453926265.db2.gz RAKYNTDEUICGRL-UHFFFAOYSA-N 0 3 332.492 3.085 50 0 EGAAHN CCCN1CCCn2nc(CNC(=O)c3cccc(Cl)c3)cc2C1 ZINC000082161789 453926892 /nfs/dbraw/zinc/92/68/92/453926892.db2.gz UMMHUVMFUBTWEI-UHFFFAOYSA-N 0 3 346.862 3.082 50 0 EGAAHN CCOC(=O)C[C@@H]1CCCCN1Cc1ccccc1Cn1cccn1 ZINC000077454759 454107455 /nfs/dbraw/zinc/10/74/55/454107455.db2.gz OWYITWAXLKKIJX-IBGZPJMESA-N 0 3 341.455 3.239 50 0 EGAAHN C[C@@H](C(=O)N1CCCN(Cc2cccs2)CC1)N1CCCCCC1 ZINC000077539855 454119828 /nfs/dbraw/zinc/11/98/28/454119828.db2.gz YMGPYJQKLZYOLM-KRWDZBQOSA-N 0 3 349.544 3.047 50 0 EGAAHN Cc1nc(CN2CCCN(Cc3ccc(F)cc3)[C@H](C(C)C)C2)no1 ZINC000071760283 454215808 /nfs/dbraw/zinc/21/58/08/454215808.db2.gz MKGDNCZHVAJTKE-SFHVURJKSA-N 0 3 346.450 3.250 50 0 EGAAHN CCN1CCCC[C@@H]1CNc1nccc(-c2ccc(C)nc2C)n1 ZINC000071762380 454215816 /nfs/dbraw/zinc/21/58/16/454215816.db2.gz ARSVLHNQYVWRLQ-MRXNPFEDSA-N 0 3 325.460 3.442 50 0 EGAAHN CCn1cc(CN2CCC[C@H](N3CCCC3=O)C2)c2ccccc21 ZINC000071767869 454216376 /nfs/dbraw/zinc/21/63/76/454216376.db2.gz FNFLEQLKWTZJRK-KRWDZBQOSA-N 0 3 325.456 3.248 50 0 EGAAHN COc1c(C)cc(NC(=O)N2CCN(c3ccncc3)CC2)cc1C ZINC000095501909 454222684 /nfs/dbraw/zinc/22/26/84/454222684.db2.gz XNRYHQNSFRQQLD-UHFFFAOYSA-N 0 3 340.427 3.061 50 0 EGAAHN CCN(CCN(C)C)C(=O)Nc1ccccc1OCc1ccccn1 ZINC000095516579 454226177 /nfs/dbraw/zinc/22/61/77/454226177.db2.gz FTUPIQPQPHUYSB-UHFFFAOYSA-N 0 3 342.443 3.076 50 0 EGAAHN CCN(CCN(C)C)C(=O)Nc1ccc(Oc2cccnc2)cc1 ZINC000095525856 454227666 /nfs/dbraw/zinc/22/76/66/454227666.db2.gz DAPAXFTUCPMUSW-UHFFFAOYSA-N 0 3 328.416 3.289 50 0 EGAAHN COc1ccc(C[C@@H](CN(C)C)C(=O)c2ccccc2)cc1OC ZINC000096027164 454264673 /nfs/dbraw/zinc/26/46/73/454264673.db2.gz WQWYKNKIWVZFBE-KRWDZBQOSA-N 0 3 327.424 3.307 50 0 EGAAHN CC(C)c1nnc2n1C[C@H](NCc1cnc(C(C)(C)C)s1)CC2 ZINC000097199434 454422051 /nfs/dbraw/zinc/42/20/51/454422051.db2.gz YCUYHVJKNQRSMR-GFCCVEGCSA-N 0 3 333.505 3.260 50 0 EGAAHN Cc1ccnc(NC[C@H]2CCN(Cc3nc(-c4ccccc4)no3)C2)c1 ZINC000097200718 454423579 /nfs/dbraw/zinc/42/35/79/454423579.db2.gz YWANRFBKVPIUNJ-MRXNPFEDSA-N 0 3 349.438 3.374 50 0 EGAAHN CN1CCCCC[C@@H]1C(=O)NCCCSCc1ccccc1F ZINC000097492555 454438685 /nfs/dbraw/zinc/43/86/85/454438685.db2.gz SDEGBYDJGKWSFZ-QGZVFWFLSA-N 0 3 338.492 3.440 50 0 EGAAHN COc1ccc(CN2CCC=C([C@@H]3CCCCN3C(C)=O)C2)cc1 ZINC000065395636 454558812 /nfs/dbraw/zinc/55/88/12/454558812.db2.gz PRQPRVMXHIWJHX-FQEVSTJZSA-N 0 3 328.456 3.228 50 0 EGAAHN Cc1nc(-c2cccc(Cn3cccn3)c2)n(-c2ccnc(C)c2)n1 ZINC000065435453 454567051 /nfs/dbraw/zinc/56/70/51/454567051.db2.gz CRXIUPLCRHGQMK-UHFFFAOYSA-N 0 3 330.395 3.191 50 0 EGAAHN O=C(c1cncc(F)c1)N1CCCN(CCCc2ccccc2)CC1 ZINC000127480491 454969141 /nfs/dbraw/zinc/96/91/41/454969141.db2.gz ASUHAKQYQRYXEU-UHFFFAOYSA-N 0 3 341.430 3.001 50 0 EGAAHN COc1ccc([C@@H]2NCC[C@]3(O)CCCC[C@H]23)cc1Br ZINC000248265954 455702759 /nfs/dbraw/zinc/70/27/59/455702759.db2.gz ZDCJQKAYRRBPHW-UHOFOFEASA-N 0 3 340.261 3.413 50 0 EGAAHN Cc1ccc(C(=O)NCC2(c3ccccc3)CCN(C)CC2)s1 ZINC000223944551 456062236 /nfs/dbraw/zinc/06/22/36/456062236.db2.gz JKXIVTQRLHNBRO-UHFFFAOYSA-N 0 3 328.481 3.450 50 0 EGAAHN O=C([C@@H]1CCCN2CCCC[C@H]12)N1CCC(Cc2cccnc2)CC1 ZINC000426726700 457887106 /nfs/dbraw/zinc/88/71/06/457887106.db2.gz FGHNEQAIPDNRPS-WOJBJXKFSA-N 0 3 341.499 3.127 50 0 EGAAHN CCN1CCC[C@@H]1CNC(=O)N(Cc1ccccn1)C1CCCCC1 ZINC000426740438 457890057 /nfs/dbraw/zinc/89/00/57/457890057.db2.gz JEIPYRSPZPWCOC-LJQANCHMSA-N 0 3 344.503 3.410 50 0 EGAAHN Cc1cccnc1[C@H](NC(=O)C1(N2CCCC2)CCCC1)C1CC1 ZINC000534632457 459339210 /nfs/dbraw/zinc/33/92/10/459339210.db2.gz IUMRYBFOOHWCMZ-GOSISDBHSA-N 0 3 327.472 3.366 50 0 EGAAHN C[C@H](CCNc1ccc2cccc(Cl)c2n1)N1CCN(C)CC1 ZINC000534670091 478169154 /nfs/dbraw/zinc/16/91/54/478169154.db2.gz OBFYVZPHMYQARK-CQSZACIVSA-N 0 3 332.879 3.326 50 0 EGAAHN CCCn1cc(CN2CCC[C@](CO)(Cc3ccccc3)C2)c(C)n1 ZINC000012595709 1291132762 /nfs/dbraw/zinc/13/27/62/1291132762.db2.gz QZBGDYGCGLLREA-NRFANRHFSA-N 0 3 341.499 3.419 50 0 EGAAHN c1cc(-c2cn(C3CCN(Cc4cccnc4)CC3)nn2)cs1 ZINC000019112947 1291191009 /nfs/dbraw/zinc/19/10/09/1291191009.db2.gz RMYREGQZGNAZTL-UHFFFAOYSA-N 0 3 325.441 3.239 50 0 EGAAHN O=C(CCCN1CCCC1=O)Nc1ccccc1CN1CCCCC1 ZINC000952966388 1334626164 /nfs/dbraw/zinc/62/61/64/1334626164.db2.gz JEVIVMFPHPRKQS-UHFFFAOYSA-N 0 3 343.471 3.014 50 0 EGAAHN CO[C@@H]1CCC[C@@]12CCCN(Cc1cnc(N3CCCCC3)nc1)C2 ZINC001704302087 1416433845 /nfs/dbraw/zinc/43/38/45/1416433845.db2.gz BJGSZAYGXYPBNT-QUCCMNQESA-N 0 3 344.503 3.248 50 0 EGAAHN CCC(=O)Nc1cccc(C(=O)N(CC)CCN2CCCCCC2)c1 ZINC000055340833 214308605 /nfs/dbraw/zinc/30/86/05/214308605.db2.gz NOIVURITUYSSGV-UHFFFAOYSA-N 0 3 345.487 3.373 50 0 EGAAHN C[C@H](NC[C@@H](O)COCCOc1ccc(Cl)cc1)c1ccccc1 ZINC000004279146 210160063 /nfs/dbraw/zinc/16/00/63/210160063.db2.gz XOPPGTZJWPEWAU-MAUKXSAKSA-N 0 3 349.858 3.447 50 0 EGAAHN COc1ccc2ccccc2c1CN1CCC[C@@H](CNC(C)=O)C1 ZINC000067472734 215150995 /nfs/dbraw/zinc/15/09/95/215150995.db2.gz AMDQGUVPVATUCY-INIZCTEOSA-N 0 3 326.440 3.197 50 0 EGAAHN O=C(NC[C@@H]1CCN(Cc2cc3ccccc3[nH]2)C1)c1ccsc1 ZINC000067769451 215207975 /nfs/dbraw/zinc/20/79/75/215207975.db2.gz UEMRLNVNFSJFOV-AWEZNQCLSA-N 0 3 339.464 3.481 50 0 EGAAHN Cc1c2cc(F)ccc2[nH]c1CN1CC[C@@H](CNC(=O)C2CCC2)C1 ZINC000067847551 215229494 /nfs/dbraw/zinc/22/94/94/215229494.db2.gz QEDQKFYFGVJXRA-AWEZNQCLSA-N 0 3 343.446 3.354 50 0 EGAAHN CN1[C@@H]2CC[C@H]1CCN(C(=O)c1csc(-c3cccs3)n1)C2 ZINC000067840263 215225612 /nfs/dbraw/zinc/22/56/12/215225612.db2.gz UTIQDDRFNHLMGN-NWDGAFQWSA-N 0 3 333.482 3.180 50 0 EGAAHN Cc1cc(CN2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)sc1C ZINC000067867569 215234104 /nfs/dbraw/zinc/23/41/04/215234104.db2.gz PTAKFOPOAKHYGK-DLBZAZTESA-N 0 3 345.464 3.444 50 0 EGAAHN Cc1ccccc1CN1CCN(Cc2cccc(F)c2)C[C@H]1CCO ZINC000104351644 219378394 /nfs/dbraw/zinc/37/83/94/219378394.db2.gz WAEXKTJJWYLFNN-OAQYLSRUSA-N 0 3 342.458 3.203 50 0 EGAAHN CC(C)(C)CN1CCN(Cc2cccc3cccnc32)C[C@H]1CCO ZINC000104386876 219383900 /nfs/dbraw/zinc/38/39/00/219383900.db2.gz JTJKGUXXWOJSND-LJQANCHMSA-N 0 3 341.499 3.150 50 0 EGAAHN Cn1cc(CN2CCN(CC(C)(C)C)[C@H](CCO)C2)c2ccccc21 ZINC000104426273 219385835 /nfs/dbraw/zinc/38/58/35/219385835.db2.gz QIXYCRHQGZCCGT-GOSISDBHSA-N 0 3 343.515 3.093 50 0 EGAAHN CCN(CC)C(=O)CN1CCC[C@H](CCc2c(F)cccc2F)C1 ZINC000072146204 216031858 /nfs/dbraw/zinc/03/18/58/216031858.db2.gz XQAYOFYSSOJVKO-OAHLLOKOSA-N 0 3 338.442 3.478 50 0 EGAAHN CN1C(=O)[C@H]2CC[C@@H]1CN(Cc1ccc(-c3ccccc3)s1)C2 ZINC000072412411 216204997 /nfs/dbraw/zinc/20/49/97/216204997.db2.gz ULJZCJGKXBIHOP-JKSUJKDBSA-N 0 3 326.465 3.468 50 0 EGAAHN Cc1cc2nc(C)cc(N[C@H]3CCCN(Cc4ccccc4)C3)n2n1 ZINC000072420228 216208779 /nfs/dbraw/zinc/20/87/79/216208779.db2.gz IACZSAPZPLYWLY-SFHVURJKSA-N 0 3 335.455 3.423 50 0 EGAAHN CCC[N@@H+]1CC2(C[C@H]1C(=O)[O-])CCN(Cc1ccc(C)cc1F)CC2 ZINC000072469385 216248767 /nfs/dbraw/zinc/24/87/67/216248767.db2.gz VCCKZDJODIXRJJ-SFHVURJKSA-N 0 3 348.462 3.285 50 0 EGAAHN CCC[N@H+]1CC2(C[C@H]1C(=O)[O-])CCN(Cc1ccc(C)cc1F)CC2 ZINC000072469385 216248771 /nfs/dbraw/zinc/24/87/71/216248771.db2.gz VCCKZDJODIXRJJ-SFHVURJKSA-N 0 3 348.462 3.285 50 0 EGAAHN CN1CCN(Cc2ccc(Cn3cccn3)cc2)[C@@H](c2ccccc2)C1 ZINC000215020961 241103096 /nfs/dbraw/zinc/10/30/96/241103096.db2.gz HRBYVNMDLYDLJL-JOCHJYFZSA-N 0 3 346.478 3.420 50 0 EGAAHN OCC[C@H]1CN(Cc2cc(F)ccc2F)CCN1C1CCCCC1 ZINC000020450999 212129733 /nfs/dbraw/zinc/12/97/33/212129733.db2.gz JBHCUQJQQPAWDB-SFHVURJKSA-N 0 3 338.442 3.166 50 0 EGAAHN Cc1ccc(OCC(=O)N2CCN([C@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC000019841654 212074390 /nfs/dbraw/zinc/07/43/90/212074390.db2.gz ACWDEJHPGZIXKQ-MSOLQXFVSA-N 0 3 330.472 3.097 50 0 EGAAHN C[C@@H](c1ccc(F)cc1)N1C(=O)CC[C@@H]1CCNCc1cccnc1 ZINC000012247661 211330062 /nfs/dbraw/zinc/33/00/62/211330062.db2.gz KVTYRQCSIKQAMS-HNAYVOBHSA-N 0 3 341.430 3.453 50 0 EGAAHN CCc1noc(C)c1C(=O)N[C@@H]1CCCN(CC2CCCCC2)C1 ZINC000012005631 211280047 /nfs/dbraw/zinc/28/00/47/211280047.db2.gz OKSMWERNAWOODK-MRXNPFEDSA-N 0 3 333.476 3.320 50 0 EGAAHN CC(C)OCCCN1C(=O)CC[C@H]1CCNCc1ccccc1F ZINC000012001312 211277605 /nfs/dbraw/zinc/27/76/05/211277605.db2.gz ZVOQOARXXOSHHT-KRWDZBQOSA-N 0 3 336.451 3.112 50 0 EGAAHN CCN(CC)CC(=O)N[C@@H](C)c1cnn(-c2ccccc2C)c1C ZINC000011816404 211249654 /nfs/dbraw/zinc/24/96/54/211249654.db2.gz LNCMEFQLRKVQMR-HNNXBMFYSA-N 0 3 328.460 3.008 50 0 EGAAHN CCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc3ccn(C)c3c1)C2 ZINC000091643312 218036882 /nfs/dbraw/zinc/03/68/82/218036882.db2.gz RXXZPMLMSGCXMT-CRAIPNDOSA-N 0 3 325.456 3.125 50 0 EGAAHN CCn1nc(C(C)C)cc1C(=O)N(C)Cc1ccccc1CN(C)C ZINC000091645050 218038415 /nfs/dbraw/zinc/03/84/15/218038415.db2.gz IXSNAFFVLJNHND-UHFFFAOYSA-N 0 3 342.487 3.360 50 0 EGAAHN Cc1ccc([C@H]2CN(C(=O)c3ccc4sc(C)nc4c3)C[C@@H]2N)o1 ZINC000091934738 218091462 /nfs/dbraw/zinc/09/14/62/218091462.db2.gz DYQYQBBULWKVSS-KBPBESRZSA-N 0 3 341.436 3.073 50 0 EGAAHN CC(C)[C@@H]1C[C@](CC(=O)NCCN(C)C)(Cc2ccccc2)CCO1 ZINC000009576314 211104025 /nfs/dbraw/zinc/10/40/25/211104025.db2.gz HGFFXCQYWZSSNI-PZJWPPBQSA-N 0 3 346.515 3.118 50 0 EGAAHN CC(C)CC[C@]1(CC(=O)NCCN(C)C)CCO[C@@H](C(C)C)C1 ZINC000009476571 211087500 /nfs/dbraw/zinc/08/75/00/211087500.db2.gz JAKKBZMJWNEQIG-MJGOQNOKSA-N 0 3 326.525 3.312 50 0 EGAAHN COc1ccc([C@@H]2CN(C(=O)CC(C)C)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095377125 218309741 /nfs/dbraw/zinc/30/97/41/218309741.db2.gz RLUMFJHXOPJGLZ-CEWLAPEOSA-N 0 3 342.483 3.130 50 0 EGAAHN CC(C)c1nccn1[C@@H](C)C(=O)N1CCN(C2CCCCC2)CC1 ZINC000095379551 218312627 /nfs/dbraw/zinc/31/26/27/218312627.db2.gz ABXBVHLWHBLOCR-INIZCTEOSA-N 0 3 332.492 3.044 50 0 EGAAHN CN1CC2(CCN(c3ccncc3)CC2)C[C@@H](c2ccccc2)C1=O ZINC000095383695 218315651 /nfs/dbraw/zinc/31/56/51/218315651.db2.gz VBBIDVZONCTTDI-IBGZPJMESA-N 0 3 335.451 3.314 50 0 EGAAHN CC(C)n1ccnc1[C@H]1CCCN(C(=O)CN2CCCCCCC2)C1 ZINC000095383023 218316065 /nfs/dbraw/zinc/31/60/65/218316065.db2.gz SGUUXLMKLOLPSV-SFHVURJKSA-N 0 3 346.519 3.436 50 0 EGAAHN CN1C(=O)[C@@H](c2ccccc2)CC12CCN(Cc1ccncc1)CC2 ZINC000095392833 218325265 /nfs/dbraw/zinc/32/52/65/218325265.db2.gz CAAQEZURSJRKLR-LJQANCHMSA-N 0 3 335.451 3.062 50 0 EGAAHN COc1cc(CNCCCO)ccc1OCc1ccccc1Cl ZINC000004866736 210307078 /nfs/dbraw/zinc/30/70/78/210307078.db2.gz BVZRLAFWCWUTRQ-UHFFFAOYSA-N 0 3 335.831 3.400 50 0 EGAAHN Cc1nc(C2CCN(Cc3cnc(-c4cccc(C)c4)nc3)CC2)n[nH]1 ZINC000097572232 219036504 /nfs/dbraw/zinc/03/65/04/219036504.db2.gz SZEXOKVKJDBRML-UHFFFAOYSA-N 0 3 348.454 3.258 50 0 EGAAHN Cc1n[nH]c(C2CCN(Cc3cnc(-c4cccc(C)c4)nc3)CC2)n1 ZINC000097572232 219036507 /nfs/dbraw/zinc/03/65/07/219036507.db2.gz SZEXOKVKJDBRML-UHFFFAOYSA-N 0 3 348.454 3.258 50 0 EGAAHN O=C(NCCN1CC[C@H](c2ccccc2)C1)Nc1ccc2n[nH]cc2c1 ZINC000299772216 258084376 /nfs/dbraw/zinc/08/43/76/258084376.db2.gz SHCCYAWZOMOGOD-INIZCTEOSA-N 0 3 349.438 3.174 50 0 EGAAHN COc1ccc2c(c1)nc(C)cc2C(=O)N(C)C[C@@H]1CCCCN1C ZINC000299797024 258100952 /nfs/dbraw/zinc/10/09/52/258100952.db2.gz TWEFWWZRDUUEOM-HNNXBMFYSA-N 0 3 341.455 3.108 50 0 EGAAHN CC(C)Oc1ccc(CN[C@@H]2CCCc3nc(N(C)C)ncc32)cc1 ZINC000015076150 273541688 /nfs/dbraw/zinc/54/16/88/273541688.db2.gz PSFKEBAMRHPICH-GOSISDBHSA-N 0 3 340.471 3.497 50 0 EGAAHN C[C@H](CN1CCCCC1)OC(=O)c1ccc(Br)cc1 ZINC000000536344 274485121 /nfs/dbraw/zinc/48/51/21/274485121.db2.gz RFSYYKWFTYAFJF-GFCCVEGCSA-N 0 3 326.234 3.480 50 0 EGAAHN CCN1CCC2(CC1)OCCN2C(=O)c1oc2ccccc2c1C ZINC000013684314 276152329 /nfs/dbraw/zinc/15/23/29/276152329.db2.gz WIAWOZLIXHUMGV-UHFFFAOYSA-N 0 3 328.412 3.026 50 0 EGAAHN Fc1ccc(CN2CCC[C@@H](CN3CCOCC3)C2)c(Cl)c1 ZINC000069804121 454146304 /nfs/dbraw/zinc/14/63/04/454146304.db2.gz IEOKCKPRAPJWQD-AWEZNQCLSA-N 0 3 326.843 3.023 50 0 EGAAHN O=C(c1cccc(F)c1)N1CCN(C2C3CC4CC(C3)CC2C4)CC1 ZINC000000317029 452561930 /nfs/dbraw/zinc/56/19/30/452561930.db2.gz YEJZAKMNOVVEOD-UHFFFAOYSA-N 0 3 342.458 3.408 50 0 EGAAHN CC(C)Oc1ccc(CN[C@H]2CCCc3nc(N(C)C)ncc32)cc1 ZINC000015076152 453555324 /nfs/dbraw/zinc/55/53/24/453555324.db2.gz PSFKEBAMRHPICH-SFHVURJKSA-N 0 3 340.471 3.497 50 0 EGAAHN Cc1cc(C)n(CCN(C)Cc2c[nH]nc2-c2ccc(F)cc2F)n1 ZINC000015961761 453590006 /nfs/dbraw/zinc/59/00/06/453590006.db2.gz HNMMCJBJFDJZKH-UHFFFAOYSA-N 0 3 345.397 3.300 50 0 EGAAHN CCOC(=O)[C@H]1CCCN(CCCOc2ccc(C)cc2OC)C1 ZINC000016527158 453610484 /nfs/dbraw/zinc/61/04/84/453610484.db2.gz DPEQRCTYWSLJKX-INIZCTEOSA-N 0 3 335.444 3.048 50 0 EGAAHN CCOc1ccc(N2C(=O)C[C@@H](NCCC3=CCCCC3)C2=O)cc1 ZINC000018217912 453648257 /nfs/dbraw/zinc/64/82/57/453648257.db2.gz ZVQKARZSMYIVHK-GOSISDBHSA-N 0 3 342.439 3.197 50 0 EGAAHN CCOC(=O)c1c(C)nc(C)cc1N1CCN(c2ccccc2)CC1 ZINC000019117300 453654092 /nfs/dbraw/zinc/65/40/92/453654092.db2.gz QFZWZXMMDOHCQF-UHFFFAOYSA-N 0 3 339.439 3.202 50 0 EGAAHN CC(=O)c1ccccc1C(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000067935014 453982029 /nfs/dbraw/zinc/98/20/29/453982029.db2.gz IILJWBDAXBQZMA-GOSISDBHSA-N 0 3 336.435 3.141 50 0 EGAAHN Cc1ccc(NC(=O)C[C@@H](C)NC[C@H](c2ccco2)N(C)C)cc1 ZINC000076556528 454015353 /nfs/dbraw/zinc/01/53/53/454015353.db2.gz VXRKDEKXJZLUAJ-NVXWUHKLSA-N 0 3 329.444 3.198 50 0 EGAAHN O=C(/C=C/c1cccs1)N1CCCSC[C@@H]1CN1CCCC1 ZINC000085473140 454030939 /nfs/dbraw/zinc/03/09/39/454030939.db2.gz LYPFRQPJLIHIQU-LFAOLKIESA-N 0 3 336.526 3.191 50 0 EGAAHN CN(C)c1nc(Cl)c(CN2CCCN(C3CCCC3)CC2)s1 ZINC000077340823 454093890 /nfs/dbraw/zinc/09/38/90/454093890.db2.gz AGIGAJVKOKFPMT-UHFFFAOYSA-N 0 3 342.940 3.313 50 0 EGAAHN CCCn1ccnc1[C@@H]1c2nc[nH]c2CCN1CCc1ccccc1 ZINC000071749440 454212836 /nfs/dbraw/zinc/21/28/36/454212836.db2.gz KGFOJZRNTJVKQS-IBGZPJMESA-N 0 3 335.455 3.206 50 0 EGAAHN CC(C)c1nccn1[C@@H](C)C(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000095531482 454228667 /nfs/dbraw/zinc/22/86/67/454228667.db2.gz RTDPZGGTIGDDKE-ZDUSSCGKSA-N 0 3 331.464 3.247 50 0 EGAAHN COc1ccc(CN2C[C@H]3CC[C@@H]2CN(Cc2ccccn2)C3)cc1 ZINC000091255377 454419764 /nfs/dbraw/zinc/41/97/64/454419764.db2.gz AKKPYWFTRWTEIM-AZUAARDMSA-N 0 3 337.467 3.187 50 0 EGAAHN Cc1nnc2n1C[C@@H](NCc1cc(-c3cccs3)cs1)CC2 ZINC000097199423 454421507 /nfs/dbraw/zinc/42/15/07/454421507.db2.gz LYMUUHIZLMKGNY-ZDUSSCGKSA-N 0 3 330.482 3.481 50 0 EGAAHN O=C1C[C@@H](NC2CCCCCC2)C(=O)N1c1ccc2cc[nH]c2c1 ZINC000113561850 454930768 /nfs/dbraw/zinc/93/07/68/454930768.db2.gz QGDHOVOMMINTRY-QGZVFWFLSA-N 0 3 325.412 3.112 50 0 EGAAHN NC(=O)CN[C@H]1CCC[C@H]1c1ccc(OCc2ccccc2F)cc1 ZINC000221527972 456043199 /nfs/dbraw/zinc/04/31/99/456043199.db2.gz JKPDOKQWBDGWGR-HKUYNNGSSA-N 0 3 342.414 3.116 50 0 EGAAHN C[N@@H+]1CCC[C@H]1CCNC(=O)c1ccc(-c2cccc(F)c2[O-])cc1 ZINC000426519276 457847426 /nfs/dbraw/zinc/84/74/26/457847426.db2.gz POPAYTBPAWTFQO-INIZCTEOSA-N 0 3 342.414 3.412 50 0 EGAAHN C[N@H+]1CCC[C@H]1CCNC(=O)c1ccc(-c2cccc(F)c2[O-])cc1 ZINC000426519276 457847429 /nfs/dbraw/zinc/84/74/29/457847429.db2.gz POPAYTBPAWTFQO-INIZCTEOSA-N 0 3 342.414 3.412 50 0 EGAAHN CC[C@H](NC1CCN(c2ccc(F)cc2)CC1)c1ncnn1CC ZINC000534641482 459340431 /nfs/dbraw/zinc/34/04/31/459340431.db2.gz TZNPPDSTCQKVIQ-KRWDZBQOSA-N 0 3 331.439 3.147 50 0 EGAAHN Cc1cc(C(=O)NC[C@H]2CCN(Cc3ccncc3)C2)ccc1Cl ZINC000067714468 1292170019 /nfs/dbraw/zinc/17/00/19/1292170019.db2.gz MMTZPUAAXLQFMB-MRXNPFEDSA-N 0 3 343.858 3.295 50 0 EGAAHN CCn1nc(C)c(CN2CCC3(CC2)c2ccccc2NC3=O)c1C ZINC000072172596 1292276489 /nfs/dbraw/zinc/27/64/89/1292276489.db2.gz QMBSYHRFURTGLD-UHFFFAOYSA-N 0 3 338.455 3.006 50 0 EGAAHN Cc1nc(CN[C@H]2CCC(=O)N(Cc3ccccc3)CC2)cs1 ZINC000885939256 1303287447 /nfs/dbraw/zinc/28/74/47/1303287447.db2.gz ZSQTYWLNSNCSPF-INIZCTEOSA-N 0 3 329.469 3.122 50 0 EGAAHN Cc1cc(C)cc(-c2nn3c(nnc3C3CCN(C)CC3)s2)c1 ZINC000823766134 1320204590 /nfs/dbraw/zinc/20/45/90/1320204590.db2.gz ZSBBKXZBUZBKIA-UHFFFAOYSA-N 0 3 327.457 3.279 50 0 EGAAHN CNCc1nnc(NC[C@@H](c2ccc(Cl)cc2)N2CCCCC2)o1 ZINC001772708745 1441417079 /nfs/dbraw/zinc/41/70/79/1441417079.db2.gz JIMVRDMARNNMKW-HNNXBMFYSA-N 0 3 349.866 3.082 50 0 EGAAHN CSC[C@H]1CCCN(C(=O)c2ccc(CN3CCCC3)cc2)C1 ZINC000097655383 219044544 /nfs/dbraw/zinc/04/45/44/219044544.db2.gz AWFSLKBANZPFMX-KRWDZBQOSA-N 0 3 332.513 3.498 50 0 EGAAHN COCCc1ncc(CN(C)C[C@]2(c3ccccc3)CC2(C)C)cn1 ZINC000097696125 219048412 /nfs/dbraw/zinc/04/84/12/219048412.db2.gz KNSMSJCMYWIBSF-NRFANRHFSA-N 0 3 339.483 3.465 50 0 EGAAHN C[C@@H](CNCc1c[nH]nc1-c1ccc(F)cc1)Oc1cccnc1 ZINC000055053309 214268388 /nfs/dbraw/zinc/26/83/88/214268388.db2.gz HNIJBOFETHNSBU-ZDUSSCGKSA-N 0 3 326.375 3.168 50 0 EGAAHN c1cn(CCCN(Cc2ccncc2)Cc2ccc3c(c2)CCO3)cn1 ZINC000055401121 214318198 /nfs/dbraw/zinc/31/81/98/214318198.db2.gz ZITUYGKQVBNNGZ-UHFFFAOYSA-N 0 3 348.450 3.306 50 0 EGAAHN CSc1ccc(-c2nccn2[C@H]2COC[C@@H]2N2CCCC2)cc1 ZINC000077540206 295674922 /nfs/dbraw/zinc/67/49/22/295674922.db2.gz RMQYNDBEBUDOEX-IRXDYDNUSA-N 0 3 329.469 3.308 50 0 EGAAHN COc1ccc2ccccc2c1CN1CCC[C@H](CNC(C)=O)C1 ZINC000067472735 215151276 /nfs/dbraw/zinc/15/12/76/215151276.db2.gz AMDQGUVPVATUCY-MRXNPFEDSA-N 0 3 326.440 3.197 50 0 EGAAHN COc1cccc(CN(C)Cc2cc3ccc(F)cc3[nH]c2=O)c1 ZINC000067642149 215172710 /nfs/dbraw/zinc/17/27/10/215172710.db2.gz SYRNTWKJPYDUHO-UHFFFAOYSA-N 0 3 326.371 3.308 50 0 EGAAHN O[C@@H]1CN(C/C=C/c2ccccc2)CC[C@H]1c1ccc2c(c1)OCO2 ZINC000067771036 215207469 /nfs/dbraw/zinc/20/74/69/215207469.db2.gz ZFGXVUIHZKDLEW-BBDZXRDTSA-N 0 3 337.419 3.279 50 0 EGAAHN 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CCc1c[nH]nc1[C@@H]1CCCN(Cc2cc3c(c(OC)c2)OCO3)C1 ZINC000077337883 454093217 /nfs/dbraw/zinc/09/32/17/454093217.db2.gz PBFHLHXEZNIFCE-OAHLLOKOSA-N 0 3 343.427 3.089 50 0 EGAAHN c1cnn(CC[C@@H]2CCCCN2Cc2ccc(-c3cc[nH]n3)o2)c1 ZINC000077377096 454099552 /nfs/dbraw/zinc/09/95/52/454099552.db2.gz HHOUCPNQGYCNTQ-HNNXBMFYSA-N 0 3 325.416 3.311 50 0 EGAAHN Cn1c(CN2CCCC[C@H]2CCN2CCOCC2)cc2ccccc21 ZINC000077407817 454102368 /nfs/dbraw/zinc/10/23/68/454102368.db2.gz KCWMCZHZOKYPOG-IBGZPJMESA-N 0 3 341.499 3.255 50 0 EGAAHN Cn1ccnc1CC[C@H]1CCCCN1Cc1ccc(-c2cc[nH]n2)o1 ZINC000077419887 454104480 /nfs/dbraw/zinc/10/44/80/454104480.db2.gz MVAKLXDBSXWMHZ-OAHLLOKOSA-N 0 3 339.443 3.391 50 0 EGAAHN CCOc1cccc(CN2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)c1 ZINC000077438611 454106169 /nfs/dbraw/zinc/10/61/69/454106169.db2.gz CRPCCTYACWIBKN-NRFANRHFSA-N 0 3 342.483 3.452 50 0 EGAAHN O=C(NCC1CCN(c2ccncc2)CC1)c1cc2ccccc2o1 ZINC000070928443 454186305 /nfs/dbraw/zinc/18/63/05/454186305.db2.gz CEYNCPAYYBSYRO-UHFFFAOYSA-N 0 3 335.407 3.474 50 0 EGAAHN Cc1ccc(CN2CC[C@H](CNC(=O)c3ccco3)C2)c(C)c1F ZINC000071278572 454204055 /nfs/dbraw/zinc/20/40/55/454204055.db2.gz ICCWKIKRMVWHBQ-OAHLLOKOSA-N 0 3 330.403 3.287 50 0 EGAAHN Clc1ccc2nc(N3CCC(NCc4cc[nH]n4)CC3)sc2c1 ZINC000095520043 454226646 /nfs/dbraw/zinc/22/66/46/454226646.db2.gz ARLWMNWKEAETNX-UHFFFAOYSA-N 0 3 347.875 3.431 50 0 EGAAHN O=C(NCCSc1ccccc1)[C@@H]1CCCN(Cc2ccco2)C1 ZINC000095525988 454227324 /nfs/dbraw/zinc/22/73/24/454227324.db2.gz GAKDTAWQCGMMMS-MRXNPFEDSA-N 0 3 344.480 3.400 50 0 EGAAHN O=C(NCCSc1ccccc1)[C@H]1CCCN(Cc2ccco2)C1 ZINC000095525989 454228030 /nfs/dbraw/zinc/22/80/30/454228030.db2.gz GAKDTAWQCGMMMS-INIZCTEOSA-N 0 3 344.480 3.400 50 0 EGAAHN c1csc(CN2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)n1 ZINC000072143550 454273113 /nfs/dbraw/zinc/27/31/13/454273113.db2.gz GHQIDVCBNYRACR-BHIYHBOVSA-N 0 3 325.481 3.205 50 0 EGAAHN O=C(NCCOc1ccccc1)C1CCN(Cc2ccccc2)CC1 ZINC000047305797 454355655 /nfs/dbraw/zinc/35/56/55/454355655.db2.gz LEARAEAQXKTCBF-UHFFFAOYSA-N 0 3 338.451 3.094 50 0 EGAAHN Cc1nccc(C2CCN(Cc3ccccc3Cn3cccn3)CC2)n1 ZINC000097528872 454439324 /nfs/dbraw/zinc/43/93/24/454439324.db2.gz DZRQJTWDJGMOJJ-UHFFFAOYSA-N 0 3 347.466 3.409 50 0 EGAAHN CN1CCCCC[C@H]1C(=O)NCc1ccc(C(F)(F)F)cc1F ZINC000097776205 454446805 /nfs/dbraw/zinc/44/68/05/454446805.db2.gz FAGBCSXPHFJACF-AWEZNQCLSA-N 0 3 332.341 3.335 50 0 EGAAHN CC[C@@H](O)CN1CC=C(c2cnn(Cc3cccc(C)c3)c2)CC1 ZINC000065492441 454576952 /nfs/dbraw/zinc/57/69/52/454576952.db2.gz NKTZQUPCBHLQLN-HXUWFJFHSA-N 0 3 325.456 3.100 50 0 EGAAHN Cc1nn(CCO)c(C)c1CN1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000215937970 456026633 /nfs/dbraw/zinc/02/66/33/456026633.db2.gz LCQNQJDZCGEHDL-MRXNPFEDSA-N 0 3 333.863 3.135 50 0 EGAAHN COCCNCc1ccc(C[C@H]2CC(=O)N(c3ccccc3)C2)cc1 ZINC000299763590 456778658 /nfs/dbraw/zinc/77/86/58/456778658.db2.gz YGHPRZRJEHVYEU-IBGZPJMESA-N 0 3 338.451 3.018 50 0 EGAAHN CC(C)n1ccc(C(=O)N(C)Cc2ccccc2CN2CCCC2)n1 ZINC000426379689 457817674 /nfs/dbraw/zinc/81/76/74/457817674.db2.gz KBSDQZKYHDSEKO-UHFFFAOYSA-N 0 3 340.471 3.332 50 0 EGAAHN O=C(NCCc1ccc(Cl)cc1)N1CC[C@@H](N2CCCCC2)C1 ZINC000426412734 457825265 /nfs/dbraw/zinc/82/52/65/457825265.db2.gz PQBBPNOVIHOFGJ-QGZVFWFLSA-N 0 3 335.879 3.152 50 0 EGAAHN CC(C)[C@H](NC(=O)c1ccc(-c2cnccc2N)cc1)c1nccn1C ZINC000426470815 457836533 /nfs/dbraw/zinc/83/65/33/457836533.db2.gz QTZGXGFNNXWNRH-SFHVURJKSA-N 0 3 349.438 3.022 50 0 EGAAHN O=C(CCN1CC=C(c2ccc(F)cc2)CC1)Nc1cccnc1 ZINC000358279389 457905927 /nfs/dbraw/zinc/90/59/27/457905927.db2.gz SZRXPJHVQSXMKN-UHFFFAOYSA-N 0 3 325.387 3.339 50 0 EGAAHN COC[C@H](NC1CCN(c2ccccc2C)CC1)c1ccccn1 ZINC000534670115 459344213 /nfs/dbraw/zinc/34/42/13/459344213.db2.gz GPYOVSHBERQNFU-IBGZPJMESA-N 0 3 325.456 3.336 50 0 EGAAHN O=C(Nc1ccc(F)cc1)N1CCCN(C2CCSCC2)CC1 ZINC000575617867 459986877 /nfs/dbraw/zinc/98/68/77/459986877.db2.gz SCJIJLQMSUYGFO-UHFFFAOYSA-N 0 3 337.464 3.261 50 0 EGAAHN Cc1ccccc1N1CCC(N2CCC(c3ncon3)CC2)CC1 ZINC000670473425 548221070 /nfs/dbraw/zinc/22/10/70/548221070.db2.gz OMPGMSUYDJAOQM-UHFFFAOYSA-N 0 3 326.444 3.226 50 0 EGAAHN O=C(CSc1ccncc1)Nc1ccccc1CN1CCCC1 ZINC000041970868 1291426720 /nfs/dbraw/zinc/42/67/20/1291426720.db2.gz UKWROGNRFYHUMO-UHFFFAOYSA-N 0 3 327.453 3.408 50 0 EGAAHN CC(C)Cc1nc(-c2cc(-c3cccn3C)n[nH]2)n(-c2ccncc2)n1 ZINC000821477641 1320016175 /nfs/dbraw/zinc/01/61/75/1320016175.db2.gz XZDQPAGOTYHGGK-UHFFFAOYSA-N 0 3 347.426 3.256 50 0 EGAAHN CC(C)(CN[C@@H](c1ccco1)c1ccccc1)CN1CCOCC1 ZINC000952971154 1334627784 /nfs/dbraw/zinc/62/77/84/1334627784.db2.gz HKFZRKTZHYDJRG-LJQANCHMSA-N 0 3 328.456 3.317 50 0 EGAAHN Cc1ncc(Cl)c(NC[C@@H]2CN(Cc3ccccc3)CCCO2)n1 ZINC001772711314 1441417277 /nfs/dbraw/zinc/41/72/77/1441417277.db2.gz BBBKCVCKGDQMDC-MRXNPFEDSA-N 0 3 346.862 3.141 50 0 EGAAHN OCCN(CCO)C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000055392581 214316838 /nfs/dbraw/zinc/31/68/38/214316838.db2.gz YJLPWJRMZCVURD-UHFFFAOYSA-N 0 3 347.458 3.265 50 0 EGAAHN CC[C@@H](C)N(Cc1ccsc1)Cc1cccc(OCC(N)=O)c1 ZINC000055343953 214310357 /nfs/dbraw/zinc/31/03/57/214310357.db2.gz WBXKLKQPWNFIID-CQSZACIVSA-N 0 3 332.469 3.413 50 0 EGAAHN COc1cc2c(cc1OC)[C@H]1N(CC[C@@]1(O)c1ccc(F)cc1)CC2 ZINC000004089744 210117466 /nfs/dbraw/zinc/11/74/66/210117466.db2.gz CHVNLMGGTMLHNX-WOJBJXKFSA-N 0 3 343.398 3.034 50 0 biogenic EGAAHN OCCCN1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067689245 215185640 /nfs/dbraw/zinc/18/56/40/215185640.db2.gz WANDVZNGKVLZFP-UHFFFAOYSA-N 0 3 333.435 3.484 50 0 EGAAHN CCc1ccccc1C(=O)NC[C@H]1CCCN(Cc2ccncc2)C1 ZINC000067754399 215202582 /nfs/dbraw/zinc/20/25/82/215202582.db2.gz IOPPPANRWJGEOB-GOSISDBHSA-N 0 3 337.467 3.286 50 0 EGAAHN Cc1ccc(C(=O)NC[C@H]2CCN(Cc3cccnc3)C2)cc1Cl ZINC000067880007 215239048 /nfs/dbraw/zinc/23/90/48/215239048.db2.gz CIOGEFHPRSHBCK-MRXNPFEDSA-N 0 3 343.858 3.295 50 0 EGAAHN COc1cc(NC(=O)CCN(C)Cc2ccccc2)cc(OC)c1 ZINC000002784431 209913187 /nfs/dbraw/zinc/91/31/87/209913187.db2.gz JSXRROFNABBWKR-UHFFFAOYSA-N 0 3 328.412 3.164 50 0 EGAAHN CSc1cccc(CN2CCN(CCC(C)C)[C@H](CCO)C2)c1 ZINC000104396836 219383718 /nfs/dbraw/zinc/38/37/18/219383718.db2.gz BOWVWOHQROBXPE-GOSISDBHSA-N 0 3 336.545 3.323 50 0 EGAAHN Cc1ccc(CN2CCN(CCCc3ccccc3)[C@H](CCO)C2)o1 ZINC000039394360 213236407 /nfs/dbraw/zinc/23/64/07/213236407.db2.gz AUVQFHKTLBAHMD-HXUWFJFHSA-N 0 3 342.483 3.089 50 0 EGAAHN CCN1CCN(c2ccc(NC(=O)c3ccc(OC)cc3)cc2)CC1 ZINC000000561274 209664338 /nfs/dbraw/zinc/66/43/38/209664338.db2.gz UMPNOCDEKATPGJ-UHFFFAOYSA-N 0 3 339.439 3.089 50 0 EGAAHN CCN(CC)CC(=O)N1CCC[C@@H](CCc2c(F)cccc2F)C1 ZINC000071750901 215807416 /nfs/dbraw/zinc/80/74/16/215807416.db2.gz OZZWJAFTSAIUDL-HNNXBMFYSA-N 0 3 338.442 3.478 50 0 EGAAHN Cc1nccn1C[C@@H]1CCCN(Cc2cc3c(cc2Cl)OCO3)C1 ZINC000072135609 216024861 /nfs/dbraw/zinc/02/48/61/216024861.db2.gz AJXRWAXTEROYTB-CQSZACIVSA-N 0 3 347.846 3.486 50 0 EGAAHN CSc1cccc(C[N@@H+]2CCC[C@@H](c3cc(=O)[n-]c(C)n3)C2)c1 ZINC000072150778 216038938 /nfs/dbraw/zinc/03/89/38/216038938.db2.gz JIQVSACUNBPJFI-OAHLLOKOSA-N 0 3 329.469 3.180 50 0 EGAAHN CSc1cccc(C[N@H+]2CCC[C@@H](c3cc(=O)[n-]c(C)n3)C2)c1 ZINC000072150778 216038943 /nfs/dbraw/zinc/03/89/43/216038943.db2.gz JIQVSACUNBPJFI-OAHLLOKOSA-N 0 3 329.469 3.180 50 0 EGAAHN CC(C)c1ccc(OCCN(C)Cc2cc3n(n2)CCCNC3)cc1 ZINC000072149146 216037068 /nfs/dbraw/zinc/03/70/68/216037068.db2.gz PZDRQKCUTODZLF-UHFFFAOYSA-N 0 3 342.487 3.011 50 0 EGAAHN COc1ccc(F)cc1CN(Cc1cccnc1)C1CCN(C)CC1 ZINC000072154715 216043247 /nfs/dbraw/zinc/04/32/47/216043247.db2.gz OSUSRAONJVSUSW-UHFFFAOYSA-N 0 3 343.446 3.326 50 0 EGAAHN c1ccc(-c2nnc3sc(CCN4CCCCCC4)nn32)cc1 ZINC000072333587 216155794 /nfs/dbraw/zinc/15/57/94/216155794.db2.gz UQKDCBIQDZDFDT-UHFFFAOYSA-N 0 3 327.457 3.271 50 0 EGAAHN Cc1ccc(CN2CCC(CNc3cc(C)nc4ccnn43)CC2)o1 ZINC000072428208 216218910 /nfs/dbraw/zinc/21/89/10/216218910.db2.gz VNGJHIRAWLJRMQ-UHFFFAOYSA-N 0 3 339.443 3.263 50 0 EGAAHN Cc1nn(C)c(Cl)c1CN1CCC[C@@H](N(C)Cc2ccccc2)C1 ZINC000023361127 212370200 /nfs/dbraw/zinc/37/02/00/212370200.db2.gz VBHZXNYDJLDQAF-QGZVFWFLSA-N 0 3 346.906 3.478 50 0 EGAAHN Cc1n[nH]c(C2CCN(Cc3cnc(C4CCCCC4)nc3)CC2)n1 ZINC000215444154 241126255 /nfs/dbraw/zinc/12/62/55/241126255.db2.gz YLFLZQMBNXQNEC-UHFFFAOYSA-N 0 3 340.475 3.330 50 0 EGAAHN Cc1nnc(C2CCN(Cc3cnc(C4CCCCC4)nc3)CC2)[nH]1 ZINC000215444154 241126259 /nfs/dbraw/zinc/12/62/59/241126259.db2.gz YLFLZQMBNXQNEC-UHFFFAOYSA-N 0 3 340.475 3.330 50 0 EGAAHN C[C@@H]1CCCCN1C1CN(Cc2nn(C)c3cccc(Cl)c23)C1 ZINC000243893817 243030108 /nfs/dbraw/zinc/03/01/08/243030108.db2.gz AUOFIINTDPBJFJ-CYBMUJFWSA-N 0 3 332.879 3.285 50 0 EGAAHN CCC(CC)CN1CCN(Cc2cccc(OC)c2)[C@@H](CCO)C1 ZINC000020784769 212171576 /nfs/dbraw/zinc/17/15/76/212171576.db2.gz CFJIUTNGJIBCIZ-IBGZPJMESA-N 0 3 334.504 3.000 50 0 EGAAHN CN1CCN(CC[C@]2(Cc3ccccc3)CCOC(C)(C)C2)CC1 ZINC000020590919 212150275 /nfs/dbraw/zinc/15/02/75/212150275.db2.gz LVLQQVJWMCQTMB-OAQYLSRUSA-N 0 3 330.516 3.442 50 0 EGAAHN CCOC(=O)C1(CC2CC2)CCN([C@H](C)Cc2cccnc2)CC1 ZINC000020118642 212103510 /nfs/dbraw/zinc/10/35/10/212103510.db2.gz SMRFIPCODLCEFH-MRXNPFEDSA-N 0 3 330.472 3.458 50 0 EGAAHN COc1cccc(CN(CCN(C)C)Cc2ccccc2)c1OC ZINC000019809859 212071317 /nfs/dbraw/zinc/07/13/17/212071317.db2.gz MALPCAADGLGANX-UHFFFAOYSA-N 0 3 328.456 3.268 50 0 EGAAHN N[C@H](Cc1ccccc1)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000262672906 245111285 /nfs/dbraw/zinc/11/12/85/245111285.db2.gz RVXVEAVGNAPMQK-HXUWFJFHSA-N 0 3 337.467 3.181 50 0 EGAAHN COc1cccc(-c2cc(CC3(O)CCN(C4CCC4)CC3)on2)c1 ZINC000012094239 211289263 /nfs/dbraw/zinc/28/92/63/211289263.db2.gz UWDLVUCCBHJLQE-UHFFFAOYSA-N 0 3 342.439 3.272 50 0 EGAAHN CCCn1ccnc1CN1C[C@H]2CC[C@H](CN2Cc2ccccc2)C1 ZINC000091417001 218003184 /nfs/dbraw/zinc/00/31/84/218003184.db2.gz WBRIYOHUTVDZTI-VQTJNVASSA-N 0 3 338.499 3.390 50 0 EGAAHN CC(C)CC[C@@]1(CC(=O)NCCN(C)C)CCO[C@@H](C(C)C)C1 ZINC000009476572 211088175 /nfs/dbraw/zinc/08/81/75/211088175.db2.gz JAKKBZMJWNEQIG-IEBWSBKVSA-N 0 3 326.525 3.312 50 0 EGAAHN CSc1ccccc1C(=O)[C@@H]1CCCN(c2cc(C)nc(N)n2)C1 ZINC000095354061 218288639 /nfs/dbraw/zinc/28/86/39/218288639.db2.gz AJCJCWHFHINMBE-CYBMUJFWSA-N 0 3 342.468 3.188 50 0 EGAAHN Cc1cc(C[C@@H](C)NC(=O)c2ccc(CN3CCCCC3)cc2)[nH]n1 ZINC000095378970 218310922 /nfs/dbraw/zinc/31/09/22/218310922.db2.gz GXFGOTDGFVACQM-OAHLLOKOSA-N 0 3 340.471 3.065 50 0 EGAAHN Clc1ccc(-c2ccc(CNCCCN3CCOCC3)o2)cc1 ZINC000004867834 210307041 /nfs/dbraw/zinc/30/70/41/210307041.db2.gz JESUBDBTHJZOFV-UHFFFAOYSA-N 0 3 334.847 3.412 50 0 EGAAHN CC(C)c1noc(CN(C)Cc2cc(CN3CCCC3)cs2)n1 ZINC000097527952 219033372 /nfs/dbraw/zinc/03/33/72/219033372.db2.gz XZMNZVLGBDNQSG-UHFFFAOYSA-N 0 3 334.489 3.482 50 0 EGAAHN CCc1nc(C)c(C(=O)NC2CCN(Cc3cccs3)CC2)o1 ZINC000097553373 219035531 /nfs/dbraw/zinc/03/55/31/219035531.db2.gz TZPQTPWNPUMUEM-UHFFFAOYSA-N 0 3 333.457 3.001 50 0 EGAAHN CN(C)C[C@]1(CO)CCCN(C(=O)Nc2cccc3ccccc32)C1 ZINC000299769318 258083206 /nfs/dbraw/zinc/08/32/06/258083206.db2.gz MABAZKMFCRDSAK-HXUWFJFHSA-N 0 3 341.455 3.008 50 0 EGAAHN O=C(CSCCN1CCCC1)NC1(c2ccccc2Cl)CC1 ZINC000299801310 258104360 /nfs/dbraw/zinc/10/43/60/258104360.db2.gz ZCRDCQNXPLFNLO-UHFFFAOYSA-N 0 3 338.904 3.274 50 0 EGAAHN Cc1ncn(C)c1C(=O)N1CCCC[C@@H]1c1ccc(CN(C)C)cc1 ZINC000299801773 258104901 /nfs/dbraw/zinc/10/49/01/258104901.db2.gz ZATXLULRXIAPMR-GOSISDBHSA-N 0 3 340.471 3.158 50 0 EGAAHN CCN1CCC[C@H]1CNC(=O)Nc1ccc(Cl)c2ncccc12 ZINC000299759408 258076819 /nfs/dbraw/zinc/07/68/19/258076819.db2.gz REWGSGGOTFHKOL-LBPRGKRZSA-N 0 3 332.835 3.494 50 0 EGAAHN c1ccc(CN2CCCO[C@@H](COc3ccc4c(c3)OCO4)C2)cc1 ZINC000340047186 155081749 /nfs/dbraw/zinc/08/17/49/155081749.db2.gz MLEVPDAWDZMPCT-GOSISDBHSA-N 0 3 341.407 3.085 50 0 EGAAHN COc1ccc(OCCOCCN2CCc3ccccc3C2)cc1 ZINC000002191190 452687970 /nfs/dbraw/zinc/68/79/70/452687970.db2.gz ITELRMUAVVMDEF-UHFFFAOYSA-N 0 3 327.424 3.149 50 0 EGAAHN COc1ccc([C@@H]2N[C@H](c3ccc(OC)cc3)C[C@H](O)[C@@H]2C)cc1 ZINC000002573557 452704935 /nfs/dbraw/zinc/70/49/35/452704935.db2.gz GTAOASWLKOJDQI-XCXWGBRNSA-N 0 3 327.424 3.477 50 0 EGAAHN CCOC(=O)C1CCN(CCCOc2ccc(C)cc2OC)CC1 ZINC000006704209 452974368 /nfs/dbraw/zinc/97/43/68/452974368.db2.gz OLNNQWUKLXJNRW-UHFFFAOYSA-N 0 3 335.444 3.048 50 0 EGAAHN CC(C)c1ccc(NC(=O)CC2C(=O)N=C3Nc4ccccc4N32)cc1 ZINC000013688424 453479971 /nfs/dbraw/zinc/47/99/71/453479971.db2.gz KOWVJCIGJCFBND-QGZVFWFLSA-N 0 3 348.406 3.336 50 0 EGAAHN Cc1onc(-c2ccccc2)c1C(=O)NC1CCN(C(C)C)CC1 ZINC000016604916 453614505 /nfs/dbraw/zinc/61/45/05/453614505.db2.gz FMHHCRJGDXRPTB-UHFFFAOYSA-N 0 3 327.428 3.253 50 0 EGAAHN COc1cc(CN2CCC[C@H]2CO)ccc1OCc1ccccc1 ZINC000023281085 453708143 /nfs/dbraw/zinc/70/81/43/453708143.db2.gz WMNCVXGNBITFKR-SFHVURJKSA-N 0 3 327.424 3.231 50 0 EGAAHN COc1ccc(C(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 ZINC000027582229 453819009 /nfs/dbraw/zinc/81/90/09/453819009.db2.gz TWKCDFZUBMKNTI-MRXNPFEDSA-N 0 3 330.453 3.324 50 0 EGAAHN COCCN(C(=O)c1oc2ccc(C)cc2c1C)C1CCN(C)CC1 ZINC000077357216 454096731 /nfs/dbraw/zinc/09/67/31/454096731.db2.gz BCLOEAFCXDFOAP-UHFFFAOYSA-N 0 3 344.455 3.232 50 0 EGAAHN CCOc1ccc(CN2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)cc1 ZINC000077470539 454109713 /nfs/dbraw/zinc/10/97/13/454109713.db2.gz WQKWDCIRKNUEIU-NRFANRHFSA-N 0 3 342.483 3.452 50 0 EGAAHN O=C(NCc1ccco1)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000072049919 454269090 /nfs/dbraw/zinc/26/90/90/454269090.db2.gz VWYMYMRXJIXVCD-CQSZACIVSA-N 0 3 333.457 3.053 50 0 EGAAHN CC(C)c1nnsc1CN1CCC[C@]2(C1)c1ccccc1NC2=O ZINC000072170548 454274070 /nfs/dbraw/zinc/27/40/70/454274070.db2.gz RWYJVIVBDYHGDO-SFHVURJKSA-N 0 3 342.468 3.147 50 0 EGAAHN O=c1cc(CN2CCCC3(CCOCC3)C2)[nH]c2ccc(F)cc12 ZINC000091364590 454430116 /nfs/dbraw/zinc/43/01/16/454430116.db2.gz YUHQKQCWXMLVEB-UHFFFAOYSA-N 0 3 330.403 3.472 50 0 EGAAHN CC[C@@H](CO)N(Cc1ccsc1)Cc1ccc(NC(C)=O)cc1 ZINC000063847208 454454676 /nfs/dbraw/zinc/45/46/76/454454676.db2.gz OCFZPXKMJYQQJE-SFHVURJKSA-N 0 3 332.469 3.480 50 0 EGAAHN Cc1ccccc1-n1cc(-c2ccnc(NC3CCN(C)CC3)n2)cn1 ZINC000048488313 454493133 /nfs/dbraw/zinc/49/31/33/454493133.db2.gz 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/nfs/dbraw/zinc/13/21/57/1291132157.db2.gz XHJJPIKGDIBDFH-QGZVFWFLSA-N 0 3 345.418 3.135 50 0 EGAAHN CC[C@H]1CCCCN1CC(=O)Nc1ccccc1Cn1ccnc1C ZINC000822718129 1320116900 /nfs/dbraw/zinc/11/69/00/1320116900.db2.gz LWASAIRPFYXTRN-SFHVURJKSA-N 0 3 340.471 3.443 50 0 EGAAHN COc1ncc(CN2CCCC[C@@H]2CCc2cccc(O)c2)cn1 ZINC000952975648 1334628329 /nfs/dbraw/zinc/62/83/29/1334628329.db2.gz YADOBTSXLDDCSA-QGZVFWFLSA-N 0 3 327.428 3.178 50 0 EGAAHN O[C@H](c1cccs1)C1CCN(Cc2cccc3nonc32)CC1 ZINC000952976255 1334628576 /nfs/dbraw/zinc/62/85/76/1334628576.db2.gz LQZYRYKJKCWINQ-KRWDZBQOSA-N 0 3 329.425 3.230 50 0 EGAAHN CCSc1ccccc1NC(=O)CC[C@H](C)N1CCN(C)CC1 ZINC000952978550 1334629147 /nfs/dbraw/zinc/62/91/47/1334629147.db2.gz QXUOGDSPSGVASW-HNNXBMFYSA-N 0 3 335.517 3.153 50 0 EGAAHN Cc1csc(SCC(=O)N(C)[C@@H](CN(C)C)c2ccccc2)n1 ZINC000952987526 1334631448 /nfs/dbraw/zinc/63/14/48/1334631448.db2.gz JUSVPYRTLLRURH-HNNXBMFYSA-N 0 3 349.525 3.305 50 0 EGAAHN CNC(=O)c1ccc(CN2CCCC[C@@H]2CCc2ccccn2)o1 ZINC001704353171 1416453763 /nfs/dbraw/zinc/45/37/63/1416453763.db2.gz SKHXAPIRELAGRD-MRXNPFEDSA-N 0 3 327.428 3.022 50 0 EGAAHN CCCC(=O)Nc1cccc(C(=O)N[C@@H]2CCCN(CCC)C2)c1 ZINC000055107743 214273424 /nfs/dbraw/zinc/27/34/24/214273424.db2.gz NJDUYWHDDLSVLE-QGZVFWFLSA-N 0 3 331.460 3.029 50 0 EGAAHN COCc1cc(CN(Cc2cnn(C)c2)CC(C)C)ccc1OC ZINC000055225152 214291611 /nfs/dbraw/zinc/29/16/11/214291611.db2.gz GJNNHVGDNDXJFE-UHFFFAOYSA-N 0 3 331.460 3.233 50 0 EGAAHN Cc1ccnc(NCCNCc2c[nH]nc2-c2ccc(F)cc2)c1 ZINC000055575337 214330850 /nfs/dbraw/zinc/33/08/50/214330850.db2.gz UTXBVYXKBQYWFD-UHFFFAOYSA-N 0 3 325.391 3.121 50 0 EGAAHN CCOc1ccc2oc(C)c(C(=O)NC[C@@H]3CCCN(C)C3)c2c1 ZINC000067674370 215178738 /nfs/dbraw/zinc/17/87/38/215178738.db2.gz UTUHXHAGGLCJFF-AWEZNQCLSA-N 0 3 330.428 3.212 50 0 EGAAHN Cc1cccc2[nH]c([C@H]3CCCN(Cc4ccc(CO)o4)C3)nc21 ZINC000067847174 215228556 /nfs/dbraw/zinc/22/85/56/215228556.db2.gz WMTIYFVTIUUDTP-AWEZNQCLSA-N 0 3 325.412 3.336 50 0 EGAAHN Cc1cccc2nc([C@H]3CCCN(Cc4ccc(CO)o4)C3)[nH]c21 ZINC000067847174 215228559 /nfs/dbraw/zinc/22/85/59/215228559.db2.gz WMTIYFVTIUUDTP-AWEZNQCLSA-N 0 3 325.412 3.336 50 0 EGAAHN CC(C)(C)CN1CCN(Cc2ccc(F)cc2Cl)C[C@H]1CCO ZINC000104370179 219380660 /nfs/dbraw/zinc/38/06/60/219380660.db2.gz DJSCSJSKOOEPLI-MRXNPFEDSA-N 0 3 342.886 3.394 50 0 EGAAHN Cc1ccccc1CN1CCN(Cc2cccc3nccnc23)CC1 ZINC000072129801 216020972 /nfs/dbraw/zinc/02/09/72/216020972.db2.gz BXXSGXGXSZFIBY-UHFFFAOYSA-N 0 3 332.451 3.256 50 0 EGAAHN COc1ccc(CN(Cc2cccnc2)C2CCN(C)CC2)cc1C ZINC000072162268 216049862 /nfs/dbraw/zinc/04/98/62/216049862.db2.gz OASKWCHPMGUTMO-UHFFFAOYSA-N 0 3 339.483 3.495 50 0 EGAAHN CN(C)CCNc1cc(-c2cnc3ccccc3n2)c2cc[nH]c2n1 ZINC000072166648 216056011 /nfs/dbraw/zinc/05/60/11/216056011.db2.gz AWZXULMZFASXFO-UHFFFAOYSA-N 0 3 332.411 3.147 50 0 EGAAHN Cc1ccc([C@H]2CN(C(=O)c3ccco3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072174216 216064967 /nfs/dbraw/zinc/06/49/67/216064967.db2.gz CAOLCQZIZPERHJ-MISYRCLQSA-N 0 3 336.435 3.290 50 0 EGAAHN CC[C@@H](c1cccs1)n1ccnc1-c1cc2n(n1)CCCNC2 ZINC000072436662 216231826 /nfs/dbraw/zinc/23/18/26/216231826.db2.gz OEZAZVOGJOTUEW-HNNXBMFYSA-N 0 3 327.457 3.301 50 0 EGAAHN O=C(c1cccc(O)c1)N1CCCN(CCCc2ccccc2)CC1 ZINC000072468046 216247528 /nfs/dbraw/zinc/24/75/28/216247528.db2.gz PNEONZZSOMPVHP-UHFFFAOYSA-N 0 3 338.451 3.173 50 0 EGAAHN Cc1ocnc1C(=O)NC[C@H](c1ccccc1C)N1CCC(C)CC1 ZINC000215653601 241137186 /nfs/dbraw/zinc/13/71/86/241137186.db2.gz CEJDPSGIMOOOJO-GOSISDBHSA-N 0 3 341.455 3.494 50 0 EGAAHN OCC[C@H]1CN(Cc2cccc3cccnc32)CCN1C1CCCC1 ZINC000020781290 212171315 /nfs/dbraw/zinc/17/13/15/212171315.db2.gz NEJUDYLXKUIGSJ-FQEVSTJZSA-N 0 3 339.483 3.046 50 0 EGAAHN O=C(CCN1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1)NC1CC1 ZINC000244873372 243091722 /nfs/dbraw/zinc/09/17/22/243091722.db2.gz WPBALERVGXWKOD-OAHLLOKOSA-N 0 3 332.835 3.022 50 0 EGAAHN Clc1ccc2nc(CN3CCC[C@@H](N4CCOCC4)C3)ccc2c1 ZINC000020599714 212150711 /nfs/dbraw/zinc/15/07/11/212150711.db2.gz 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/nfs/dbraw/zinc/32/97/15/211329715.db2.gz KVTYRQCSIKQAMS-DNVCBOLYSA-N 0 3 341.430 3.453 50 0 EGAAHN CC(C)=CCN[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000012030027 211281444 /nfs/dbraw/zinc/28/14/44/211281444.db2.gz WPVZOTHWWDLSGK-CQSZACIVSA-N 0 3 326.362 3.362 50 0 EGAAHN Cc1nn(C)cc1CN1CCC(CO)(Cc2ccccc2Cl)CC1 ZINC000011997691 211277364 /nfs/dbraw/zinc/27/73/64/211277364.db2.gz LMNXSAVZIDGVDC-UHFFFAOYSA-N 0 3 347.890 3.199 50 0 EGAAHN COc1ccc(Cl)cc1C(=O)[C@H]1CCCN(C2CCOCC2)C1 ZINC000011879166 211263045 /nfs/dbraw/zinc/26/30/45/211263045.db2.gz DROVBKVLYFXUGV-ZDUSSCGKSA-N 0 3 337.847 3.422 50 0 EGAAHN COc1ccccc1/C=C/CN1CC[C@@](O)(C2CCOCC2)[C@H](C)C1 ZINC000091562946 218022400 /nfs/dbraw/zinc/02/24/00/218022400.db2.gz GQADHHOOLFZVMW-PQGDUDRBSA-N 0 3 345.483 3.208 50 0 EGAAHN CCCN1C(=O)[C@H]2CC[C@@H]1CN(Cc1ccc(OC(F)F)cc1)C2 ZINC000091562755 218022563 /nfs/dbraw/zinc/02/25/63/218022563.db2.gz QAVQPMVAGDMAQI-LSDHHAIUSA-N 0 3 338.398 3.121 50 0 EGAAHN CCOC(=O)C1(CCOC)CCN(Cc2cc(C)ccc2C)CC1 ZINC000011843514 211256205 /nfs/dbraw/zinc/25/62/05/211256205.db2.gz GKKZGPUSVMMTJH-UHFFFAOYSA-N 0 3 333.472 3.485 50 0 EGAAHN CN1C[C@H]2CC[C@H](CN2C(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000091819796 218070651 /nfs/dbraw/zinc/07/06/51/218070651.db2.gz NDLMUCPEONIUPU-SMDDNHRTSA-N 0 3 327.350 3.263 50 0 EGAAHN O=C(NC[C@@H]1CCCN(Cc2cccc(O)c2)C1)c1cccs1 ZINC000011662037 211229989 /nfs/dbraw/zinc/22/99/89/211229989.db2.gz JEHZQUWJAMDUJL-HNNXBMFYSA-N 0 3 330.453 3.096 50 0 EGAAHN CC(C)Cc1cc(C(=O)NC2(CN3CCCC3)CCCCC2)on1 ZINC000092021125 218105120 /nfs/dbraw/zinc/10/51/20/218105120.db2.gz KZCJBCOHSLXYRN-UHFFFAOYSA-N 0 3 333.476 3.402 50 0 EGAAHN CC(=O)N(C)c1cccc(NC(=O)N(CCN(C)C)C2CCCC2)c1 ZINC000097301422 219011305 /nfs/dbraw/zinc/01/13/05/219011305.db2.gz BMOZBJXSNVVVPH-UHFFFAOYSA-N 0 3 346.475 3.007 50 0 EGAAHN CCOc1cccc(OCCN2CC[C@](O)(c3ccccc3)C2)c1 ZINC000299779460 258088789 /nfs/dbraw/zinc/08/87/89/258088789.db2.gz OCWVPZKOYASCOW-HXUWFJFHSA-N 0 3 327.424 3.058 50 0 EGAAHN O=C(NC[C@H](c1ccccc1)N1CCCCC1)c1cc(C(F)F)n[nH]1 ZINC000299800772 258103958 /nfs/dbraw/zinc/10/39/58/258103958.db2.gz YHUPTWVXHYJDCE-MRXNPFEDSA-N 0 3 348.397 3.304 50 0 EGAAHN Cc1ccc(N2C(=O)C[C@@H](N3CCC[C@H]4CCCC[C@@H]43)C2=O)cc1 ZINC000004018778 292127129 /nfs/dbraw/zinc/12/71/29/292127129.db2.gz NZUUPLWSKJXMDC-BPQIPLTHSA-N 0 3 326.440 3.282 50 0 EGAAHN CCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccncc3)=NN12 ZINC000005094022 276152333 /nfs/dbraw/zinc/15/23/33/276152333.db2.gz ZKPPVHCDRPSISC-LJQANCHMSA-N 0 3 348.450 3.437 50 0 EGAAHN CCS[C@@H](C)C(=O)N(CCc1ccccc1)C1CCN(C)CC1 ZINC000072429828 276395327 /nfs/dbraw/zinc/39/53/27/276395327.db2.gz MTXPVESVFBKCKH-INIZCTEOSA-N 0 3 334.529 3.294 50 0 EGAAHN CCOc1cc([C@@H]2NCCc3cc(OC)c(OC)cc32)ccc1O ZINC000000034448 452493204 /nfs/dbraw/zinc/49/32/04/452493204.db2.gz KODKHELZSJNQSI-IBGZPJMESA-N 0 3 329.396 3.043 50 0 biogenic EGAAHN CCOC(=O)c1c2c(sc1NC(=O)CN[C@@H](C)CC)CCCC2 ZINC000000131696 452515908 /nfs/dbraw/zinc/51/59/08/452515908.db2.gz DJSCEFCXOPIKHJ-NSHDSACASA-N 0 3 338.473 3.130 50 0 EGAAHN COc1ccc([C@@H]2NCC[C@@]3(O)CCCC[C@@H]23)cc1Br ZINC000002472550 452700520 /nfs/dbraw/zinc/70/05/20/452700520.db2.gz ZDCJQKAYRRBPHW-RCBQFDQVSA-N 0 3 340.261 3.413 50 0 EGAAHN CSCCCN1CCC(O)(c2ccc(Br)cc2)CC1 ZINC000002498449 452702943 /nfs/dbraw/zinc/70/29/43/452702943.db2.gz LGCBVXVDNMSGLC-UHFFFAOYSA-N 0 3 344.318 3.486 50 0 EGAAHN Cc1c(Cl)cccc1NC(=O)CCN(CCO)Cc1ccccc1 ZINC000002765278 452720318 /nfs/dbraw/zinc/72/03/18/452720318.db2.gz HCVYPVGKIRYEMX-UHFFFAOYSA-N 0 3 346.858 3.472 50 0 EGAAHN COc1cc(CNCCO)cc(Cl)c1OCc1ccc(F)cc1 ZINC000002860544 452730626 /nfs/dbraw/zinc/73/06/26/452730626.db2.gz NWIBNMZGCFLDHW-UHFFFAOYSA-N 0 3 339.794 3.149 50 0 EGAAHN COc1cc(CNC[C@H](C)O)ccc1OCc1ccc(Cl)cc1 ZINC000008497968 453209339 /nfs/dbraw/zinc/20/93/39/453209339.db2.gz JAOWOAJNLZHFKK-ZDUSSCGKSA-N 0 3 335.831 3.398 50 0 EGAAHN COc1ccc(CN2CCC[C@H]2CO)cc1OCc1ccccc1 ZINC000023280015 453708463 /nfs/dbraw/zinc/70/84/63/453708463.db2.gz MQKCDDJJTWYELB-SFHVURJKSA-N 0 3 327.424 3.231 50 0 EGAAHN CSc1ccc(CN2CCN(C3CCCC3)[C@H](CCO)C2)cc1 ZINC000036385639 453927853 /nfs/dbraw/zinc/92/78/53/453927853.db2.gz CKFPJEAXCARGJQ-GOSISDBHSA-N 0 3 334.529 3.220 50 0 EGAAHN c1oc(-c2ccccc2)nc1CN[C@@H]1CCOC2(CCOCC2)C1 ZINC000077537364 454118833 /nfs/dbraw/zinc/11/88/33/454118833.db2.gz FEJWTBWMEAJYRN-MRXNPFEDSA-N 0 3 328.412 3.159 50 0 EGAAHN COc1cc(NC(=O)CC2CCN(C)CC2)c(OC)cc1Cl ZINC000071375775 454205154 /nfs/dbraw/zinc/20/51/54/454205154.db2.gz OLBNYFNWSPYBOD-UHFFFAOYSA-N 0 3 326.824 3.028 50 0 EGAAHN Cc1ccsc1CN1C[C@H]2CC[C@@H](C1)C(=O)N2Cc1ccccn1 ZINC000091254291 454419725 /nfs/dbraw/zinc/41/97/25/454419725.db2.gz VGUBBLGXQIZNHV-DOTOQJQBSA-N 0 3 341.480 3.075 50 0 EGAAHN CCn1ccnc1[C@@H]1CCCN(CCC(=O)NC2CCCCCC2)C1 ZINC000092022521 454505511 /nfs/dbraw/zinc/50/55/11/454505511.db2.gz SITFRXFZFWXIBF-QGZVFWFLSA-N 0 3 346.519 3.312 50 0 EGAAHN Cc1nn(CCN2CCCC2)cc1CN1CCC[C@H]1c1ccccn1 ZINC000065453627 454569711 /nfs/dbraw/zinc/56/97/11/454569711.db2.gz CMJXKJFKSDNHQN-FQEVSTJZSA-N 0 3 339.487 3.019 50 0 EGAAHN C[C@@H]1CN(C)CCCN1Cc1cnc(SCc2ccccc2)nc1 ZINC000215084213 456025616 /nfs/dbraw/zinc/02/56/16/456025616.db2.gz UTODSWFRCIKIRA-MRXNPFEDSA-N 0 3 342.512 3.295 50 0 EGAAHN Cc1nc2c(s1)CCC[C@H]2NC(=O)C1(N2CCCC2)CCCC1 ZINC000222667694 456049566 /nfs/dbraw/zinc/04/95/66/456049566.db2.gz FVGDJINUDVYLHE-CQSZACIVSA-N 0 3 333.501 3.354 50 0 EGAAHN CCC[C@@]1(CO)CCCN(Cc2cnn(-c3cccc(F)c3)c2)C1 ZINC000091779828 520958864 /nfs/dbraw/zinc/95/88/64/520958864.db2.gz YPDNVXZPMLGYCL-LJQANCHMSA-N 0 3 331.435 3.386 50 0 EGAAHN CCc1cccc(C)c1NC(=O)CCN(C)CCc1c(C)n[nH]c1C ZINC000244690974 535860923 /nfs/dbraw/zinc/86/09/23/535860923.db2.gz JAHZZRLSBZEXAO-UHFFFAOYSA-N 0 3 342.487 3.400 50 0 EGAAHN COc1ccc(C(=O)NCCN2CCC[C@H](c3ccccc3)C2)cc1 ZINC000670439873 548216323 /nfs/dbraw/zinc/21/63/23/548216323.db2.gz AGDSFCXNBATXKT-IBGZPJMESA-N 0 3 338.451 3.305 50 0 EGAAHN Cc1cccc(CN2CCC3(C[C@H]3C(=O)NCc3ccccc3)CC2)n1 ZINC000011881816 1291129923 /nfs/dbraw/zinc/12/99/23/1291129923.db2.gz SEKGMVRPQSYPEU-FQEVSTJZSA-N 0 3 349.478 3.309 50 0 EGAAHN CC[C@@H](CO)N(Cc1cccc(-n2cccn2)c1)Cc1ccccn1 ZINC000055199145 1291776776 /nfs/dbraw/zinc/77/67/76/1291776776.db2.gz QHQPJXABZVNVHU-IBGZPJMESA-N 0 3 336.439 3.040 50 0 EGAAHN OC1(c2cccnc2)CCN(Cc2ccc(-c3cc[nH]n3)s2)CC1 ZINC000828605325 1292482188 /nfs/dbraw/zinc/48/21/88/1292482188.db2.gz HCWJEGRPVMHVSE-UHFFFAOYSA-N 0 3 340.452 3.017 50 0 EGAAHN CC[N@@H+]1CCCC[C@H]1C[N-]c1nnc(CSc2ccncc2)o1 ZINC001772808107 1441417400 /nfs/dbraw/zinc/41/74/00/1441417400.db2.gz ZFTNAXKUQVRAOM-ZDUSSCGKSA-N 0 3 333.461 3.043 50 0 EGAAHN CC[N@H+]1CCCC[C@H]1C[N-]c1nnc(CSc2ccncc2)o1 ZINC001772808107 1441417401 /nfs/dbraw/zinc/41/74/01/1441417401.db2.gz ZFTNAXKUQVRAOM-ZDUSSCGKSA-N 0 3 333.461 3.043 50 0 EGAAHN Cc1ccc(CN(CCN(C)C)Cc2cccc3c2OCO3)s1 ZINC000055119102 214276627 /nfs/dbraw/zinc/27/66/27/214276627.db2.gz VMNAYUOJYHOZFM-UHFFFAOYSA-N 0 3 332.469 3.349 50 0 EGAAHN CC[C@@H](CO)N(Cc1ccco1)Cc1ccc(-n2cccn2)cc1 ZINC000055212076 214289442 /nfs/dbraw/zinc/28/94/42/214289442.db2.gz NIVZODQEBNWBBE-KRWDZBQOSA-N 0 3 325.412 3.238 50 0 EGAAHN Cc1ccc(CNc2ccc(C(=O)N(C)[C@@H]3CCN(C)C3)cc2)cc1 ZINC000055414178 214322535 /nfs/dbraw/zinc/32/25/35/214322535.db2.gz VJFOWVFDMUGMKN-HXUWFJFHSA-N 0 3 337.467 3.383 50 0 EGAAHN C[C@@H](NC[C@H](O)COCCOc1ccc(Cl)cc1)c1ccccc1 ZINC000004279145 210160037 /nfs/dbraw/zinc/16/00/37/210160037.db2.gz XOPPGTZJWPEWAU-QAPCUYQASA-N 0 3 349.858 3.447 50 0 EGAAHN O=C(CN1CCCCCC1)N1CCC[C@@H]1c1nc2cc(F)ccc2[nH]1 ZINC000067739785 215199748 /nfs/dbraw/zinc/19/97/48/215199748.db2.gz MFYPLLJEGLFEOR-QGZVFWFLSA-N 0 3 344.434 3.242 50 0 EGAAHN CC(C)CCN1CCN(Cc2cc3ccccc3o2)C[C@H]1CCO ZINC000104492189 219390387 /nfs/dbraw/zinc/39/03/87/219390387.db2.gz SPCPFVGAGWXOLS-GOSISDBHSA-N 0 3 330.472 3.348 50 0 EGAAHN CN1CCN([C@H]2CCN(Cc3ccc(-c4ccccc4)cc3)C2)CC1 ZINC000035813016 213050256 /nfs/dbraw/zinc/05/02/56/213050256.db2.gz DYXAUOVESIOYIU-QFIPXVFZSA-N 0 3 335.495 3.175 50 0 EGAAHN CC/C=C/CC(=O)N1CC[C@H](C2CCN(Cc3cccnc3)CC2)C1 ZINC000072137354 216024880 /nfs/dbraw/zinc/02/48/80/216024880.db2.gz PNBCQGYKIJRHNT-YADGQWAMSA-N 0 3 341.499 3.498 50 0 EGAAHN COc1cc(C)c(C[NH+]2CCC(c3cc(=O)[n-]c(C)n3)CC2)cc1C ZINC000072154025 216044591 /nfs/dbraw/zinc/04/45/91/216044591.db2.gz BCDGZTVONYDGDF-UHFFFAOYSA-N 0 3 341.455 3.496 50 0 EGAAHN Cn1c2ccccc2nc1C1CCN(Cc2cccc3nonc32)CC1 ZINC000072165925 216056405 /nfs/dbraw/zinc/05/64/05/216056405.db2.gz XQZSNZBPEGBKOX-UHFFFAOYSA-N 0 3 347.422 3.489 50 0 EGAAHN Cc1ccc(C(F)(F)F)cc1CN1CCC2(CC(=O)N(C)C2)CC1 ZINC000072432680 216227139 /nfs/dbraw/zinc/22/71/39/216227139.db2.gz ZDWDNOIWYSPXNQ-UHFFFAOYSA-N 0 3 340.389 3.458 50 0 EGAAHN CCc1cc(NC[C@@H](c2ccc(F)cc2)N(C)C)n2nccc2n1 ZINC000072475037 216252810 /nfs/dbraw/zinc/25/28/10/216252810.db2.gz FADOSDUNMLMQOE-INIZCTEOSA-N 0 3 327.407 3.146 50 0 EGAAHN COc1cc(C)c(CN2CCN(CC(C)(C)C)[C@@H](CCO)C2)cc1C ZINC000022919994 212334879 /nfs/dbraw/zinc/33/48/79/212334879.db2.gz ZLWAVTPYVYWVDE-IBGZPJMESA-N 0 3 348.531 3.227 50 0 EGAAHN CN(CCn1ccnc1)Cc1c(-c2ccccc2)nc2ccccn21 ZINC000216196492 241170315 /nfs/dbraw/zinc/17/03/15/241170315.db2.gz DPBCDTXCNZWHSY-UHFFFAOYSA-N 0 3 331.423 3.330 50 0 EGAAHN COc1nc(C)cc(C)c1CNC[C@]1(c2ccc(F)cc2)CCOC1 ZINC000020560668 212147724 /nfs/dbraw/zinc/14/77/24/212147724.db2.gz KXFHFLJMUBKQNS-HXUWFJFHSA-N 0 3 344.430 3.294 50 0 EGAAHN NC(=O)c1ccc(OCCCN2CCCC[C@@H]2c2ccccn2)cc1 ZINC000252481559 243769935 /nfs/dbraw/zinc/76/99/35/243769935.db2.gz COBUDGNWBWSZRD-LJQANCHMSA-N 0 3 339.439 3.177 50 0 EGAAHN CCN1CCN(CCOCCSc2ccc(Cl)cc2)CC1 ZINC000020406327 212125301 /nfs/dbraw/zinc/12/53/01/212125301.db2.gz QXIZHQFCQXACBC-UHFFFAOYSA-N 0 3 328.909 3.086 50 0 EGAAHN COc1ccc(CN2CCN(CC3CCCC3)CC2)c(OC)c1OC ZINC000020201296 212111206 /nfs/dbraw/zinc/11/12/06/212111206.db2.gz SUZMKPRFNGKCQL-UHFFFAOYSA-N 0 3 348.487 3.020 50 0 EGAAHN COc1ccc(CN2CCC[C@@H](c3n[nH]cc3C)C2)c(OC)c1OC ZINC000020109546 212102407 /nfs/dbraw/zinc/10/24/07/212102407.db2.gz ONOFBWYTZFCIRJ-CQSZACIVSA-N 0 3 345.443 3.124 50 0 EGAAHN COc1ccc(CN2CCN(C[C@H]3CC=CCC3)CC2)c(OC)c1 ZINC000019359677 212021223 /nfs/dbraw/zinc/02/12/23/212021223.db2.gz GUMCDMNOKLVUES-KRWDZBQOSA-N 0 3 330.472 3.178 50 0 EGAAHN CCCc1nc(C(=O)N[C@@H]2c3ccccc3C[C@H]2N(C)C)cs1 ZINC000091417063 218003003 /nfs/dbraw/zinc/00/30/03/218003003.db2.gz AJGDDHSMOPOYFB-NVXWUHKLSA-N 0 3 329.469 3.053 50 0 EGAAHN CC(=O)N[C@@H]1CN(c2ccnc3ccccc32)C[C@H]1c1ccc(C)o1 ZINC000091617051 218032351 /nfs/dbraw/zinc/03/23/51/218032351.db2.gz BELAENOWXRPMTL-SJLPKXTDSA-N 0 3 335.407 3.245 50 0 EGAAHN CN1CC2(CCN(Cc3ccccn3)CC2)C[C@@H](c2ccccc2)C1=O ZINC000091693722 218048967 /nfs/dbraw/zinc/04/89/67/218048967.db2.gz YREDDXOMPINMKF-FQEVSTJZSA-N 0 3 349.478 3.310 50 0 EGAAHN CN1CCCCC[C@@H]1C(=O)NCc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000091907138 218087050 /nfs/dbraw/zinc/08/70/50/218087050.db2.gz OYSKRYDLOSKLLK-MRXNPFEDSA-N 0 3 346.862 3.221 50 0 EGAAHN CCOC[C@H]1CCCN1C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000095358153 218292211 /nfs/dbraw/zinc/29/22/11/218292211.db2.gz LVTWRMPJZKAUKG-LJQANCHMSA-N 0 3 330.472 3.314 50 0 EGAAHN COc1ccc(C(=O)N2CCN([C@H]3CCC[C@H](C)C3)CC2)cc1OC ZINC000005067857 210381107 /nfs/dbraw/zinc/38/11/07/210381107.db2.gz XQRUAQPJPDZNAL-RDJZCZTQSA-N 0 3 346.471 3.040 50 0 EGAAHN O[C@@H](COc1ccccc1)CN1CCC(Cc2ccccc2)CC1 ZINC000004993558 210353041 /nfs/dbraw/zinc/35/30/41/210353041.db2.gz IRCVGKKVEJXPLO-HXUWFJFHSA-N 0 3 325.452 3.381 50 0 EGAAHN COc1cc(-c2ccc(CN3CCCC3)cn2)cc(OC)c1OC ZINC000097413354 219023193 /nfs/dbraw/zinc/02/31/93/219023193.db2.gz OYDFCIWUMDXILC-UHFFFAOYSA-N 0 3 328.412 3.370 50 0 EGAAHN Cc1cc(C[C@H](C)NC(=O)c2ccc(-c3ccc(C)nc3N)cc2)n[nH]1 ZINC000426690360 257958102 /nfs/dbraw/zinc/95/81/02/257958102.db2.gz VIGZCLFYUGZBGA-ZDUSSCGKSA-N 0 3 349.438 3.032 50 0 EGAAHN Cc1ccc(F)cc1CN1C(=O)CC[C@@H]1CCNCc1cccnc1 ZINC000299771134 258083302 /nfs/dbraw/zinc/08/33/02/258083302.db2.gz STZWUTNUTYWAID-LJQANCHMSA-N 0 3 341.430 3.200 50 0 EGAAHN CN(C)[C@H]1CCN(C(=O)Nc2ccc(/C=C/c3ccccn3)cc2)C1 ZINC000299802435 258105733 /nfs/dbraw/zinc/10/57/33/258105733.db2.gz MANYWASVCGXBSO-AIADIJKESA-N 0 3 336.439 3.420 50 0 EGAAHN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CCN2CCCC2)s1 ZINC000077355647 292173456 /nfs/dbraw/zinc/17/34/56/292173456.db2.gz BBSBJLITIGVFLV-OAHLLOKOSA-N 0 3 342.530 3.086 50 0 EGAAHN CCc1cccc(OCCN2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000195520960 266187178 /nfs/dbraw/zinc/18/71/78/266187178.db2.gz NPIAMLAEJYNPGL-KRWDZBQOSA-N 0 3 340.471 3.045 50 0 EGAAHN c1cc(-c2noc3c2CN(C2CCSCC2)CC3)cc2c1OCO2 ZINC000012385530 275064074 /nfs/dbraw/zinc/06/40/74/275064074.db2.gz KOCPECQKLHCSBY-UHFFFAOYSA-N 0 3 344.436 3.324 50 0 EGAAHN CCN(Cc1ccccc1OCCn1ccnc1)[C@@H]1CCCC[C@H]1O ZINC000215519219 279240990 /nfs/dbraw/zinc/24/09/90/279240990.db2.gz SFYANBBBBHZDIW-RTBURBONSA-N 0 3 343.471 3.088 50 0 EGAAHN Cc1ccc(OCC(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)cc1 ZINC000010017933 280921966 /nfs/dbraw/zinc/92/19/66/280921966.db2.gz HMMWXMPDRSQTRK-IBGZPJMESA-N 0 3 326.440 3.101 50 0 EGAAHN CCN(CCSc1ccccc1)Cc1cc(=O)n2ccccc2n1 ZINC000244858635 455276976 /nfs/dbraw/zinc/27/69/76/455276976.db2.gz VPBATMAHDSBHIY-UHFFFAOYSA-N 0 3 339.464 3.309 50 0 EGAAHN CCN1CCN(c2ccc(NC(=O)/C=C/c3ccco3)cc2)CC1 ZINC000006517632 452948545 /nfs/dbraw/zinc/94/85/45/452948545.db2.gz FFDDJZLCGPDAPN-MDZDMXLPSA-N 0 3 325.412 3.073 50 0 EGAAHN Clc1cccc(CNCCSc2nnnn2-c2ccccc2)c1 ZINC000006663249 452965293 /nfs/dbraw/zinc/96/52/93/452965293.db2.gz SJWMHJJYHMFEPZ-UHFFFAOYSA-N 0 3 345.859 3.198 50 0 EGAAHN CCc1ccc(CN2CCC(CCC(=O)NC[C@H]3CCCO3)CC2)o1 ZINC000012581622 453379470 /nfs/dbraw/zinc/37/94/70/453379470.db2.gz BJKHNIJBVQLKDE-GOSISDBHSA-N 0 3 348.487 3.129 50 0 EGAAHN O=C(CCc1ccccc1)N[C@@H]1CCCN(CCc2ccccc2)C1 ZINC000012718854 453395012 /nfs/dbraw/zinc/39/50/12/453395012.db2.gz DZTCVSZKTZCFBR-OAQYLSRUSA-N 0 3 336.479 3.443 50 0 EGAAHN Cc1ccc2nc(C)c(C(=O)N(C)CC3CCN(C)CC3)cc2c1 ZINC000019789889 453659840 /nfs/dbraw/zinc/65/98/40/453659840.db2.gz NJOPZQPNFFTHMM-UHFFFAOYSA-N 0 3 325.456 3.265 50 0 EGAAHN Cc1cccc(NC(=O)NCC2(N3CCN(C)CC3)CCCCC2)c1 ZINC000028579965 453823860 /nfs/dbraw/zinc/82/38/60/453823860.db2.gz HAMMCUZGHKOPPK-UHFFFAOYSA-N 0 3 344.503 3.067 50 0 EGAAHN CC(=O)NCC[C@@H]1CCCCN1Cc1cc2cc(F)ccc2n1C ZINC000077287840 454086673 /nfs/dbraw/zinc/08/66/73/454086673.db2.gz AIQMGPWVZLMJOB-KRWDZBQOSA-N 0 3 331.435 3.198 50 0 EGAAHN Cc1cc(C(=O)N2CCCC[C@H]2c2ccc(CN(C)C)cc2)[nH]n1 ZINC000077357738 454097117 /nfs/dbraw/zinc/09/71/17/454097117.db2.gz QTFFVCQWQKXTGM-SFHVURJKSA-N 0 3 326.444 3.147 50 0 EGAAHN CN(Cc1cc(-c2ccccc2)n[nH]1)[C@H]1CCOC2(CCOCC2)C1 ZINC000077387884 454100932 /nfs/dbraw/zinc/10/09/32/454100932.db2.gz LAFJTAWDMAQAPJ-SFHVURJKSA-N 0 3 341.455 3.237 50 0 EGAAHN c1[nH]nc(C2CCCCC2)c1CN1CCCC[C@H]1CN1CCOCC1 ZINC000077408431 454102222 /nfs/dbraw/zinc/10/22/22/454102222.db2.gz HQMYCIBIDZZEKE-IBGZPJMESA-N 0 3 346.519 3.144 50 0 EGAAHN C[C@H](C1CCN(c2ccc3ccccc3n2)CC1)N1CCOCC1 ZINC000077564249 454124328 /nfs/dbraw/zinc/12/43/28/454124328.db2.gz GJEQGIHEHQTWJQ-MRXNPFEDSA-N 0 3 325.456 3.172 50 0 EGAAHN CCCCn1ccnc1C1CCN(C(=O)CN2CCCCCC2)CC1 ZINC000095502029 454221980 /nfs/dbraw/zinc/22/19/80/454221980.db2.gz OVNRLAISHIFFGT-UHFFFAOYSA-N 0 3 346.519 3.265 50 0 EGAAHN CSCc1ccc(C(=O)N2C[C@@H]3CC[C@H](C2)N(CC2CC2)C3)o1 ZINC000095502362 454222633 /nfs/dbraw/zinc/22/26/33/454222633.db2.gz MYQAFAQRFASVFG-HUUCEWRRSA-N 0 3 334.485 3.089 50 0 EGAAHN CN1CCC(Cc2nc([C@H]3CCOC3)n(C3CCCCC3)n2)CC1 ZINC000095525483 454227864 /nfs/dbraw/zinc/22/78/64/454227864.db2.gz OHFIKBOHDIQEEC-INIZCTEOSA-N 0 3 332.492 3.172 50 0 EGAAHN CCc1nc(C)sc1CN1CCCC[C@@H]1CCN1CCCC1=O ZINC000072127385 454272988 /nfs/dbraw/zinc/27/29/88/454272988.db2.gz OFJARVOGKSPAGH-OAHLLOKOSA-N 0 3 335.517 3.381 50 0 EGAAHN Cc1nnc2n1C[C@@H](NCc1cccc(OCc3ccccc3)c1)CC2 ZINC000097199589 454422267 /nfs/dbraw/zinc/42/22/67/454422267.db2.gz GGNKQENOQFXWRJ-IBGZPJMESA-N 0 3 348.450 3.270 50 0 EGAAHN CC(=O)Nc1ccc(CN2CC[C@@H](c3sccc3C)[C@H](O)C2)cc1 ZINC000065372872 454555050 /nfs/dbraw/zinc/55/50/50/454555050.db2.gz VNVKEMZLCMYBRA-QZTJIDSGSA-N 0 3 344.480 3.365 50 0 EGAAHN CCOc1ccc(CN(C(=O)NC[C@H]2CCCCN2C)C2CC2)cc1 ZINC000426433657 457830059 /nfs/dbraw/zinc/83/00/59/457830059.db2.gz MTTDSFUOBMKMQP-GOSISDBHSA-N 0 3 345.487 3.244 50 0 EGAAHN CCN(CCN1CCCC1)C(=O)NCc1ccccc1C(F)(F)F ZINC000426599775 457860782 /nfs/dbraw/zinc/86/07/82/457860782.db2.gz RJLTXPLLMSBRML-UHFFFAOYSA-N 0 3 343.393 3.333 50 0 EGAAHN Cc1cc(CN(C)C(=O)NC[C@@H](c2ccccc2C)N(C)C)ccn1 ZINC000534582509 459336028 /nfs/dbraw/zinc/33/60/28/459336028.db2.gz LSMRCUIIYNTSAB-IBGZPJMESA-N 0 3 340.471 3.143 50 0 EGAAHN CC(C)c1ccc(-c2ccc(C(=O)NCCN3CCCC3)cc2)nn1 ZINC000534642947 459341126 /nfs/dbraw/zinc/34/11/26/459341126.db2.gz AHQXJQTWSJNHRM-UHFFFAOYSA-N 0 3 338.455 3.093 50 0 EGAAHN Cc1cc(C)n(CCN(C)Cc2cc(CN3CCCC3)cs2)n1 ZINC000670440756 548216283 /nfs/dbraw/zinc/21/62/83/548216283.db2.gz IUILVFVPRRMXGI-UHFFFAOYSA-N 0 3 332.517 3.289 50 0 EGAAHN c1csc(CN2CCCN([C@@H]3COc4ccccc4C3)CC2)c1 ZINC000039489945 1291404592 /nfs/dbraw/zinc/40/45/92/1291404592.db2.gz MHOMHNFZFAZBAX-KRWDZBQOSA-N 0 3 328.481 3.260 50 0 EGAAHN Cc1cc(C)n([C@@H](C)C(=O)Nc2ccccc2CN2CCCC2)n1 ZINC000138686047 1293838000 /nfs/dbraw/zinc/83/80/00/1293838000.db2.gz CGVYNQAPKNFBMJ-INIZCTEOSA-N 0 3 326.444 3.295 50 0 EGAAHN CC(C)[C@H](N)c1nc(COc2cccc(F)c2)nn1-c1ccncc1 ZINC000952872133 1334584540 /nfs/dbraw/zinc/58/45/40/1334584540.db2.gz KMOIDDGFXSGTKQ-KRWDZBQOSA-N 0 3 341.390 3.036 50 0 EGAAHN Cc1cccc(NC(=O)CN2CCCC[C@@H]2CCn2cccn2)c1 ZINC001704347196 1416451338 /nfs/dbraw/zinc/45/13/38/1416451338.db2.gz JHVXSMSSIKQBNG-GOSISDBHSA-N 0 3 326.444 3.075 50 0 EGAAHN Cc1ccc2cc(CN3C[C@@H]4C[C@]4(C)C3)c(N3CCOCC3)nc2c1 ZINC001772804768 1441417421 /nfs/dbraw/zinc/41/74/21/1441417421.db2.gz UDSFFZBCHMOEDR-GHTZIAJQSA-N 0 3 337.467 3.222 50 0 EGAAHN O=C(NCCN1CC[C@H](c2ccccc2)C1)c1cnc2c(c1)CCCC2 ZINC000097657378 219045394 /nfs/dbraw/zinc/04/53/94/219045394.db2.gz 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/nfs/dbraw/zinc/96/48/91/209964891.db2.gz OXCGXXXRSQRTRD-UHFFFAOYSA-N 0 3 346.452 3.499 50 0 EGAAHN Cc1ccc(-c2cc(O)c3c(c2)CN(CCN(C)C)CCO3)s1 ZINC000067909438 215248989 /nfs/dbraw/zinc/24/89/89/215248989.db2.gz DGXLXGCJISKUSH-UHFFFAOYSA-N 0 3 332.469 3.185 50 0 EGAAHN Cc1noc(C)c1NC(=O)NC[C@H]1CCN(Cc2ccccc2F)C1 ZINC000067934833 215253354 /nfs/dbraw/zinc/25/33/54/215253354.db2.gz HNKCCBZBBWGOQF-CQSZACIVSA-N 0 3 346.406 3.074 50 0 EGAAHN CN(C)CCNC(=O)c1cc2occc2n1Cc1ccccc1Cl ZINC000035475371 213031109 /nfs/dbraw/zinc/03/11/09/213031109.db2.gz OOQZWTZYMZMUSO-UHFFFAOYSA-N 0 3 345.830 3.227 50 0 EGAAHN CN(C)C(=O)CC[C@H]1CCCN(Cc2cc3cc(F)ccc3n2C)C1 ZINC000072125637 216016150 /nfs/dbraw/zinc/01/61/50/216016150.db2.gz XRKFGLCRMUHCKI-OAHLLOKOSA-N 0 3 345.462 3.398 50 0 EGAAHN CN(Cc1cc(-c2ccccc2)no1)C(=O)c1ccc2c(c1)CCNC2 ZINC000072418152 216205889 /nfs/dbraw/zinc/20/58/89/216205889.db2.gz TUZHHFXRMVEDAX-UHFFFAOYSA-N 0 3 347.418 3.260 50 0 EGAAHN Cc1cccc(CN2CCC(c3cc(N4CCCC4)ncn3)CC2)n1 ZINC000072435556 216230556 /nfs/dbraw/zinc/23/05/56/216230556.db2.gz XMRVOTNDMNGTQL-UHFFFAOYSA-N 0 3 337.471 3.160 50 0 EGAAHN Cc1nn2c(nc(C)cc2NC[C@H]2Cc3ccccc3CN2C)c1C ZINC000072438495 216232160 /nfs/dbraw/zinc/23/21/60/216232160.db2.gz XOYYBHOGLVLHJI-GOSISDBHSA-N 0 3 335.455 3.123 50 0 EGAAHN COc1cccc([C@H]2CN(Cc3ccccn3)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000072476716 216253728 /nfs/dbraw/zinc/25/37/28/216253728.db2.gz NTKFXVPPDVYXND-YPAWHYETSA-N 0 3 349.478 3.152 50 0 EGAAHN CC(=O)c1cccc(CN2CCN(C3CCCCC3)[C@@H](CCO)C2)c1 ZINC000022932670 212336048 /nfs/dbraw/zinc/33/60/48/212336048.db2.gz XXORDKCJFKHMQI-NRFANRHFSA-N 0 3 344.499 3.091 50 0 EGAAHN CCc1nc(CN(C)Cc2cc(CN3CCCCC3)cs2)no1 ZINC000215291434 241117338 /nfs/dbraw/zinc/11/73/38/241117338.db2.gz IMQWRFHXSKJJJJ-UHFFFAOYSA-N 0 3 334.489 3.311 50 0 EGAAHN O=C(CSc1ccncc1)N1CCCN(C2CCCCC2)CC1 ZINC000219555904 241396279 /nfs/dbraw/zinc/39/62/79/241396279.db2.gz YHNNKCJCWVVDRP-UHFFFAOYSA-N 0 3 333.501 3.041 50 0 EGAAHN CCc1ccccc1NC(=O)CCN1CCN(C2CCCC2)CC1 ZINC000244828478 243088880 /nfs/dbraw/zinc/08/88/80/243088880.db2.gz TWTJEBBVPVUNRS-UHFFFAOYSA-N 0 3 329.488 3.138 50 0 EGAAHN COc1cc(CN2CCN(CC3CCCC3)CC2)cc(OC)c1OC ZINC000019883983 212079353 /nfs/dbraw/zinc/07/93/53/212079353.db2.gz ZZDZBPJDGRPDIR-UHFFFAOYSA-N 0 3 348.487 3.020 50 0 EGAAHN Cc1ccc(OCC(=O)N2CCN([C@H]3CCC[C@H](C)C3)CC2)cc1 ZINC000019841657 212074690 /nfs/dbraw/zinc/07/46/90/212074690.db2.gz ACWDEJHPGZIXKQ-ROUUACIJSA-N 0 3 330.472 3.097 50 0 EGAAHN CN(Cc1ccc(CO)o1)[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC000019224743 212007322 /nfs/dbraw/zinc/00/73/22/212007322.db2.gz GVLMNUWHVAWFJM-MRXNPFEDSA-N 0 3 332.419 3.007 50 0 EGAAHN Cc1nc(CC(=O)N2CCC[C@@H](N(C)Cc3ccccc3)C2)cs1 ZINC000012454853 211385778 /nfs/dbraw/zinc/38/57/78/211385778.db2.gz XKWNFIWLGSVKRH-GOSISDBHSA-N 0 3 343.496 3.117 50 0 EGAAHN O=C(C1CCCC1)N1CC[C@@H](C2CCN(Cc3cccnc3)CC2)C1 ZINC000012319881 211344699 /nfs/dbraw/zinc/34/46/99/211344699.db2.gz DFDBWWLDKOCBHW-HXUWFJFHSA-N 0 3 341.499 3.332 50 0 EGAAHN CCCn1ncc(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)c1C ZINC000091595469 218029356 /nfs/dbraw/zinc/02/93/56/218029356.db2.gz MKGIUCLGOMDMNW-IBGZPJMESA-N 0 3 340.471 3.168 50 0 EGAAHN Fc1cc(F)cc(CN2C[C@H]3CC[C@@H]2CN(Cc2ccccn2)C3)c1 ZINC000091644600 218037925 /nfs/dbraw/zinc/03/79/25/218037925.db2.gz AUWVEGZQALARMB-MGPUTAFESA-N 0 3 343.421 3.456 50 0 EGAAHN Cc1csc(CCCNC(=O)C2CCN(Cc3ccco3)CC2)n1 ZINC000095359203 218293368 /nfs/dbraw/zinc/29/33/68/218293368.db2.gz IPGVDROQGGQXCI-UHFFFAOYSA-N 0 3 347.484 3.006 50 0 EGAAHN Cc1ccc([C@H]2CN(C(=O)c3ccoc3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095368168 218299938 /nfs/dbraw/zinc/29/99/38/218299938.db2.gz GAJWBJASYXHHCZ-VAMGGRTRSA-N 0 3 336.435 3.290 50 0 EGAAHN C[C@H](CN1C(=O)CC[C@H]1CCNCc1ccccn1)c1ccccc1 ZINC000299756088 258074379 /nfs/dbraw/zinc/07/43/79/258074379.db2.gz COCSWJMAFKHGAU-XLIONFOSSA-N 0 3 337.467 3.356 50 0 EGAAHN O[C@H]1Cc2ccccc2C12CCN(Cc1ccc(-c3cc[nH]n3)o1)CC2 ZINC000072167266 275059297 /nfs/dbraw/zinc/05/92/97/275059297.db2.gz SMTQRUUNXZQMTM-FQEVSTJZSA-N 0 3 349.434 3.121 50 0 EGAAHN CCC[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)C2ON1c1ccccc1 ZINC000137865397 276034094 /nfs/dbraw/zinc/03/40/94/276034094.db2.gz GIMFMMZYZOBIBJ-FGTMMUONSA-N 0 3 336.391 3.165 50 0 EGAAHN CCC1=NO[C@@H](CN2CCC(COc3ccc(OC)cc3)CC2)C1 ZINC000244734411 455277232 /nfs/dbraw/zinc/27/72/32/455277232.db2.gz NFBITSLIKJDAHI-LJQANCHMSA-N 0 3 332.444 3.341 50 0 EGAAHN CC(C)(C)NC(=O)COc1ccc(CNCc2cccs2)cc1 ZINC000000360091 452572278 /nfs/dbraw/zinc/57/22/78/452572278.db2.gz ZBEMVZJXHJHPNY-UHFFFAOYSA-N 0 3 332.469 3.331 50 0 EGAAHN C[C@H](Nc1nc(N2CCNCC2)nc2ccccc21)c1ccccc1 ZINC000000568533 452624130 /nfs/dbraw/zinc/62/41/30/452624130.db2.gz LOGWGZNWEWFTJV-HNNXBMFYSA-N 0 3 333.439 3.213 50 0 biogenic,in-vitro EGAAHN COc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)C(C)(C)C)C1 ZINC000012588851 453379293 /nfs/dbraw/zinc/37/92/93/453379293.db2.gz VYLHXKHTHYMAFH-KRWDZBQOSA-N 0 3 346.515 3.454 50 0 EGAAHN CCN1CCC(N2CCc3onc(-c4ccccc4F)c3C2)CC1 ZINC000015078728 453554227 /nfs/dbraw/zinc/55/42/27/453554227.db2.gz GOIOFVRXVBCHFX-UHFFFAOYSA-N 0 3 329.419 3.323 50 0 EGAAHN COc1cccc2c1OC[C@@H](NCc1c(C)nn(C(C)C)c1C)C2 ZINC000015069880 453554599 /nfs/dbraw/zinc/55/45/99/453554599.db2.gz RGHYNUISMUSWHG-INIZCTEOSA-N 0 3 329.444 3.183 50 0 EGAAHN S=C(NC[C@@H]1CCCO1)Nc1ccc(CN2CCCCC2)cc1 ZINC000017068682 453628179 /nfs/dbraw/zinc/62/81/79/453628179.db2.gz QGTIRFVNYQSXGS-KRWDZBQOSA-N 0 3 333.501 3.138 50 0 EGAAHN OCC[C@@H]1CN(C2CCCCCC2)CCN1Cc1ccccc1F ZINC000020515976 453666410 /nfs/dbraw/zinc/66/64/10/453666410.db2.gz VTSJRMDBFVTSHM-LJQANCHMSA-N 0 3 334.479 3.417 50 0 EGAAHN COc1ccc([C@@H]2C[C@H](O)[C@@H](C)[C@@H](c3ccc(OC)cc3)N2)cc1 ZINC000022079160 453686748 /nfs/dbraw/zinc/68/67/48/453686748.db2.gz GTAOASWLKOJDQI-UOWJPWOOSA-N 0 3 327.424 3.477 50 0 EGAAHN Cn1ccnc1CC[C@@H]1CCCCN1Cc1cc(C(C)(C)C)n[nH]1 ZINC000077489185 454111957 /nfs/dbraw/zinc/11/19/57/454111957.db2.gz CCBZCCJFZOZWQR-INIZCTEOSA-N 0 3 329.492 3.428 50 0 EGAAHN Nc1ncccc1CN1CCC[C@@H](c2n[nH]cc2Cc2ccccc2)C1 ZINC000077565928 454124010 /nfs/dbraw/zinc/12/40/10/454124010.db2.gz XNYPDBAFTRFTQU-QGZVFWFLSA-N 0 3 347.466 3.357 50 0 EGAAHN CC(C)(C)OC(=O)NCCNCc1ccc(OC(F)(F)F)cc1 ZINC000095644384 454231949 /nfs/dbraw/zinc/23/19/49/454231949.db2.gz JLJAXRIYIAUFOG-UHFFFAOYSA-N 0 3 334.338 3.200 50 0 EGAAHN O=C(Cc1csc(-c2ccccc2)n1)NCCN1CCCCCC1 ZINC000071884578 454242978 /nfs/dbraw/zinc/24/29/78/454242978.db2.gz XTCAETHSYRJXCF-UHFFFAOYSA-N 0 3 343.496 3.345 50 0 EGAAHN c1ccc([C@@H]2CCN(CCNc3nccc(-c4ccccn4)n3)C2)cc1 ZINC000096149886 454292930 /nfs/dbraw/zinc/29/29/30/454292930.db2.gz KCTZJQUTSJMWIR-GOSISDBHSA-N 0 3 345.450 3.440 50 0 EGAAHN OCc1ccccc1-c1ccccc1OC[C@H](O)CN1CCCCC1 ZINC000096162353 454295887 /nfs/dbraw/zinc/29/58/87/454295887.db2.gz PUYYWMSJFNONBW-GOSISDBHSA-N 0 3 341.451 3.072 50 0 EGAAHN Oc1ccc(CN2CCN(Cc3ccccc3)CC2)c2cccnc12 ZINC000090443174 454305282 /nfs/dbraw/zinc/30/52/82/454305282.db2.gz 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/nfs/dbraw/zinc/02/58/78/456025878.db2.gz DILTXDVQQGZZAP-IIKPXAABSA-N 0 3 341.543 3.438 50 0 EGAAHN C[C@@H]1CN(C)CCCN1Cc1cnc(-c2ccc(Cl)cc2)nc1 ZINC000216018584 456028010 /nfs/dbraw/zinc/02/80/10/456028010.db2.gz VYFTVEPUCKPCCI-CQSZACIVSA-N 0 3 330.863 3.323 50 0 EGAAHN Cc1cnccc1-c1cccc(C(=O)N2CC[C@@H]3CC[C@H](C2)N3C)c1 ZINC000426405091 457823078 /nfs/dbraw/zinc/82/30/78/457823078.db2.gz FSDKRPYMZQEYPR-RBUKOAKNSA-N 0 3 335.451 3.366 50 0 EGAAHN CO[C@]12CCN(Cc3cccc(OCC(C)C)c3)[C@H]1C[C@H](O)CC2 ZINC000426486056 457840854 /nfs/dbraw/zinc/84/08/54/457840854.db2.gz SWKCYUVIPYGZTR-YZGWKJHDSA-N 0 3 333.472 3.226 50 0 EGAAHN COc1ccccc1NC(=O)N1CCCN(C2CCSCC2)CC1 ZINC000575617819 459986980 /nfs/dbraw/zinc/98/69/80/459986980.db2.gz RKTFPZCXGCVDHK-UHFFFAOYSA-N 0 3 349.500 3.130 50 0 EGAAHN COc1ccc([C@@H](C)N(C)C(=O)CN2CCCCCC2)c(OC)c1 ZINC000824573038 1320265758 /nfs/dbraw/zinc/26/57/58/1320265758.db2.gz GBOFNTKFGYWQEP-OAHLLOKOSA-N 0 3 334.460 3.099 50 0 EGAAHN CC[C@H](C(=O)N(C)CCOc1ccc(C)cc1Cl)N(C)CC ZINC000952987717 1334631228 /nfs/dbraw/zinc/63/12/28/1334631228.db2.gz GGIWEXSAFQKDKN-OAHLLOKOSA-N 0 3 326.868 3.216 50 0 EGAAHN CO[C@H]1CN(CCCOc2ccc(F)cc2)C[C@H]1Cc1cc(C)no1 ZINC001704297486 1416432913 /nfs/dbraw/zinc/43/29/13/1416432913.db2.gz ARWAEOOVWNKOEW-BEFAXECRSA-N 0 3 348.418 3.081 50 0 EGAAHN CN(C)c1ncc2c(n1)[C@]1(CC2)CCCN(Cc2ccsc2)C1 ZINC001704312402 1416438948 /nfs/dbraw/zinc/43/89/48/1416438948.db2.gz QVZZSMCMKNVYOE-SFHVURJKSA-N 0 3 328.485 3.084 50 0 EGAAHN O=C(c1c[nH]c2ccccc12)N1CCCN(CC[C@@H]2CC2(F)F)CC1 ZINC001772707930 1441417208 /nfs/dbraw/zinc/41/72/08/1441417208.db2.gz YJGBGSUTJLVUCL-CQSZACIVSA-N 0 3 347.409 3.361 50 0 EGAAHN COc1cccc(CN2CCC(c3cc[nH]c(=O)c3)CC2)c1OC ZINC001772710651 1441417257 /nfs/dbraw/zinc/41/72/57/1441417257.db2.gz CUKFXMUYZGGJBW-UHFFFAOYSA-N 0 3 328.412 3.184 50 0 EGAAHN Cc1ccc([C@@H](C)NCc2cn(CCC(N)=O)c3ccccc23)cn1 ZINC000055385914 214315041 /nfs/dbraw/zinc/31/50/41/214315041.db2.gz XKAFXKHAENVGLX-OAHLLOKOSA-N 0 3 336.439 3.071 50 0 EGAAHN O=C(NC[C@H]1CCN(Cc2ccccc2)C1)c1ccc(F)cc1F ZINC000067446690 215147532 /nfs/dbraw/zinc/14/75/32/215147532.db2.gz RSUUYCYAVBYNSJ-OAHLLOKOSA-N 0 3 330.378 3.217 50 0 EGAAHN COc1ccc(-c2ccc(C(=O)N(C)C[C@]3(C)CCN(C)C3)o2)cc1 ZINC000067514808 215157475 /nfs/dbraw/zinc/15/74/75/215157475.db2.gz PTSHAQFSIHGUPA-HXUWFJFHSA-N 0 3 342.439 3.369 50 0 EGAAHN O=C(CN1CCCCCC1)N1CCC[C@H]1c1nc2cc(F)ccc2[nH]1 ZINC000067739783 215198812 /nfs/dbraw/zinc/19/88/12/215198812.db2.gz MFYPLLJEGLFEOR-KRWDZBQOSA-N 0 3 344.434 3.242 50 0 EGAAHN CCc1ccc(CN2CC[C@H](CNC(=O)c3cccc(C)c3)C2)nc1 ZINC000067856297 215233163 /nfs/dbraw/zinc/23/31/63/215233163.db2.gz FYMZNPKURWOVKQ-GOSISDBHSA-N 0 3 337.467 3.204 50 0 EGAAHN CC(C)/C=C/CN1CCN(CCCc2ccccc2)[C@H](CCO)C1 ZINC000036379977 213091930 /nfs/dbraw/zinc/09/19/30/213091930.db2.gz FDYYEEPYCYWUDK-HSTAZWAASA-N 0 3 330.516 3.200 50 0 EGAAHN c1ccc(SCCN2CCCN(Cc3cccnc3)CC2)cc1 ZINC000072153515 216042071 /nfs/dbraw/zinc/04/20/71/216042071.db2.gz NDUZZNCPSNCVFK-UHFFFAOYSA-N 0 3 327.497 3.382 50 0 EGAAHN CC(C)NC(=O)C1(N(C)CCc2ccccc2)Cc2ccccc2C1 ZINC000072161694 216050523 /nfs/dbraw/zinc/05/05/23/216050523.db2.gz ZBAOPGUDERCJFY-UHFFFAOYSA-N 0 3 336.479 3.223 50 0 EGAAHN CCCN1CCN(c2ccnc(C(=O)N(C)C3CCCCC3)c2)CC1 ZINC000072163530 216051643 /nfs/dbraw/zinc/05/16/43/216051643.db2.gz UBPXVCAZWWMMDH-UHFFFAOYSA-N 0 3 344.503 3.018 50 0 EGAAHN Cc1ncc(C(=O)N(CCc2ccccc2)C2CCN(C)CC2)s1 ZINC000072430469 216221749 /nfs/dbraw/zinc/22/17/49/216221749.db2.gz FRZDUCGQTLTKAL-UHFFFAOYSA-N 0 3 343.496 3.231 50 0 EGAAHN COc1cccc(-c2[nH]nc3c2CN(Cc2cccc(C)n2)CC3)c1 ZINC000023338090 212368789 /nfs/dbraw/zinc/36/87/89/212368789.db2.gz WAZJFKYAKVFJMA-UHFFFAOYSA-N 0 3 334.423 3.347 50 0 EGAAHN Cc1n[nH]c(C)c1CCCN(C)Cc1cnc(N2CCCC2)s1 ZINC000215078897 241105396 /nfs/dbraw/zinc/10/53/96/241105396.db2.gz VXXMGGYRHBTZDW-UHFFFAOYSA-N 0 3 333.505 3.148 50 0 EGAAHN CC(=O)Nc1ccc(CN2CCC[C@@H](OCc3cccnc3)C2)cc1 ZINC000216487118 241195407 /nfs/dbraw/zinc/19/54/07/241195407.db2.gz PQBNXONUCREODU-HXUWFJFHSA-N 0 3 339.439 3.221 50 0 EGAAHN COc1cc(CN2CCC(F)CC2)ccc1OCCN1CCCC1 ZINC000215440347 241125788 /nfs/dbraw/zinc/12/57/88/241125788.db2.gz MIKABMOIBDVXGD-UHFFFAOYSA-N 0 3 336.451 3.104 50 0 EGAAHN Cc1cc(C(=O)NCCN2CCC[C@@H](c3ccccc3)C2)cc(C)n1 ZINC000215504526 241127457 /nfs/dbraw/zinc/12/74/57/241127457.db2.gz IMKMVKHSZVWYIL-LJQANCHMSA-N 0 3 337.467 3.308 50 0 EGAAHN Cc1cc(C)n2ncc(CN(C)C[C@H]3CCN(c4ccccc4)C3)c2n1 ZINC000215579816 241135217 /nfs/dbraw/zinc/13/52/17/241135217.db2.gz RXRVKBIMDJCLQG-GOSISDBHSA-N 0 3 349.482 3.304 50 0 EGAAHN CN(Cc1ccccc1)C1(CNCc2ccon2)Cc2ccccc2C1 ZINC000020538334 212145689 /nfs/dbraw/zinc/14/56/89/212145689.db2.gz SKUJAWIREPAUEF-UHFFFAOYSA-N 0 3 347.462 3.434 50 0 EGAAHN CCN1CCN(CCCCOc2ccc(CCC(C)=O)cc2)CC1 ZINC000020406311 212125792 /nfs/dbraw/zinc/12/57/92/212125792.db2.gz QLNFBZQIHWTQPW-UHFFFAOYSA-N 0 3 332.488 3.005 50 0 EGAAHN COc1ccc(OC)c(CN2CCN([C@@H]3CCC[C@@H](C)C3)CC2)c1 ZINC000019842203 212075582 /nfs/dbraw/zinc/07/55/82/212075582.db2.gz UCKWNIGSCCMYBV-SJLPKXTDSA-N 0 3 332.488 3.400 50 0 EGAAHN Cc1ncc2c(c1-c1noc([C@@H]3CCc4ccccc4O3)n1)CCNC2 ZINC000019771809 212063396 /nfs/dbraw/zinc/06/33/96/212063396.db2.gz LQUAJZOSPDBNOX-KRWDZBQOSA-N 0 3 348.406 3.152 50 0 EGAAHN C[C@@H]1CN(C[C@H](O)Cn2c3ccccc3c3ccccc32)C[C@H](C)O1 ZINC000012378339 211360036 /nfs/dbraw/zinc/36/00/36/211360036.db2.gz BTEPOPVDLPKRBZ-BBWFWOEESA-N 0 3 338.451 3.265 50 0 EGAAHN O=C1N(CCc2ccccc2)CCC[C@]12CCN(Cc1cccnc1)C2 ZINC000012304536 211339990 /nfs/dbraw/zinc/33/99/90/211339990.db2.gz MWQGEKIVFADLEM-JOCHJYFZSA-N 0 3 349.478 3.139 50 0 EGAAHN Fc1ccc(N[C@H]2CCCN(Cc3ccc4nonc4c3)C2)cc1 ZINC000011843219 211256519 /nfs/dbraw/zinc/25/65/19/211256519.db2.gz NPLPIUIWJHZSPF-INIZCTEOSA-N 0 3 326.375 3.438 50 0 EGAAHN Cc1cc(NC[C@@H](c2ccc(F)cc2)N2CCCCC2)nc(N)n1 ZINC000091724629 218053206 /nfs/dbraw/zinc/05/32/06/218053206.db2.gz LWNNGERRCBLOOC-INIZCTEOSA-N 0 3 329.423 3.145 50 0 EGAAHN CCCN1C(=O)[C@H]2CC[C@@H]1CN(Cc1cc(C)c(OC)cc1C)C2 ZINC000091706809 218050889 /nfs/dbraw/zinc/05/08/89/218050889.db2.gz COBVSKLNEPPELT-FUHWJXTLSA-N 0 3 330.472 3.145 50 0 EGAAHN COc1ccc(CCN(CC2CCN(C)CC2)C(=O)C=C(C)C)cc1 ZINC000011662629 211229450 /nfs/dbraw/zinc/22/94/50/211229450.db2.gz HVBLTXZAQYPNHU-UHFFFAOYSA-N 0 3 344.499 3.374 50 0 EGAAHN O=C(c1ccc(CN2CCCCC2)cc1)N1CCc2ncccc2C1 ZINC000095368741 218301611 /nfs/dbraw/zinc/30/16/11/218301611.db2.gz PRAHFHYUVWYUFS-UHFFFAOYSA-N 0 3 335.451 3.266 50 0 EGAAHN CN1CCC(N(CCc2ccccc2)C(=O)NCc2ccco2)CC1 ZINC000426487399 257966723 /nfs/dbraw/zinc/96/67/23/257966723.db2.gz NEBXCZMSGAFIAH-UHFFFAOYSA-N 0 3 341.455 3.128 50 0 EGAAHN CN(Cc1ccccc1CN1CCCC1)C(=O)Nc1ccc[nH]c1=O ZINC000299773008 258084967 /nfs/dbraw/zinc/08/49/67/258084967.db2.gz CKJJPBZJPRDFSD-UHFFFAOYSA-N 0 3 340.427 3.047 50 0 EGAAHN Cc1ccc2cc(CNCC3(O)CCCCC3)c(N(C)C)nc2c1 ZINC000299765685 258080816 /nfs/dbraw/zinc/08/08/16/258080816.db2.gz PZCBKBUDZDSLDB-UHFFFAOYSA-N 0 3 327.472 3.394 50 0 EGAAHN c1ccc(C(CN2CCN(c3ncccn3)CC2)c2ccccc2)cc1 ZINC000055292110 132194729 /nfs/dbraw/zinc/19/47/29/132194729.db2.gz CYKIPNXKIOXHMJ-UHFFFAOYSA-N 0 3 344.462 3.431 50 0 EGAAHN COCCCN(C(=O)c1ccc(Cl)c(C)c1)C1CCN(C)CC1 ZINC000072480147 292327982 /nfs/dbraw/zinc/32/79/82/292327982.db2.gz DKWUVZKUBDKGBX-UHFFFAOYSA-N 0 3 338.879 3.221 50 0 EGAAHN Cc1ccc(C)c(OCCN2CCC[C@@H](c3nnc4n3CCC4)C2)c1 ZINC000195520687 266186022 /nfs/dbraw/zinc/18/60/22/266186022.db2.gz NLTQDNZROSORDJ-QGZVFWFLSA-N 0 3 340.471 3.100 50 0 EGAAHN CC(C)c1nc2oc3c(ncnc3NCCN(C)C)c2c2c1CCC2 ZINC000002219688 278078355 /nfs/dbraw/zinc/07/83/55/278078355.db2.gz KJRDAIVLWBHOFR-UHFFFAOYSA-N 0 3 339.443 3.357 50 0 EGAAHN CN(C)CCN(Cc1nc(-c2ccccc2)cs1)C[C@H]1CCCO1 ZINC000349039066 289152048 /nfs/dbraw/zinc/15/20/48/289152048.db2.gz WUIMDBKQAJAULC-QGZVFWFLSA-N 0 3 345.512 3.353 50 0 EGAAHN O[C@@H](CN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000000118442 452513097 /nfs/dbraw/zinc/51/30/97/452513097.db2.gz AKFFNUJUESASEM-SFHVURJKSA-N 0 3 331.843 3.357 50 0 EGAAHN COc1ccc(CN[C@@H](C)[C@H]2COc3ccccc3O2)c(OC)c1 ZINC000000189260 452531079 /nfs/dbraw/zinc/53/10/79/452531079.db2.gz AWPDVLXZHUFYBN-ORAYPTAESA-N 0 3 329.396 3.022 50 0 biogenic EGAAHN Cc1ccc(OCC(=O)O[C@H](C)CN(C)Cc2ccccc2)cc1 ZINC000002180647 452687599 /nfs/dbraw/zinc/68/75/99/452687599.db2.gz KNRYEMGUWQATJB-QGZVFWFLSA-N 0 3 327.424 3.438 50 0 EGAAHN C[C@H]1Oc2ccccc2OC1C(=O)Nc1nc2ccccc2s1 ZINC000005032489 452832621 /nfs/dbraw/zinc/83/26/21/452832621.db2.gz OPZWVVOPMLRGAB-MEBBXXQBSA-N 0 3 326.377 3.463 50 0 EGAAHN COC(=O)c1ccc2[nH]c(C)c(CN3CCCCCC3)c(=O)c2c1 ZINC000008714109 453225745 /nfs/dbraw/zinc/22/57/45/453225745.db2.gz BKIUNOMNFGYBIA-UHFFFAOYSA-N 0 3 328.412 3.411 50 0 EGAAHN COc1cc(C(C)=O)ccc1OCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000016489344 453609746 /nfs/dbraw/zinc/60/97/46/453609746.db2.gz HVDNOTGXSYFVOM-GASCZTMLSA-N 0 3 335.444 3.166 50 0 EGAAHN COc1ccc(CN2CCC[C@H](CO)C2)cc1OCc1ccccc1 ZINC000023281982 453708224 /nfs/dbraw/zinc/70/82/24/453708224.db2.gz GFRLPUUSLLKXCD-IBGZPJMESA-N 0 3 341.451 3.479 50 0 EGAAHN COc1ccc(CC(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 ZINC000027741658 453820227 /nfs/dbraw/zinc/82/02/27/453820227.db2.gz PRNMBVLDVMKBFA-QGZVFWFLSA-N 0 3 344.480 3.253 50 0 EGAAHN Cc1ccc([C@H](CNc2ncc(Br)cn2)N(C)C)cc1 ZINC000067369893 453926281 /nfs/dbraw/zinc/92/62/81/453926281.db2.gz GHZDEZNCHVBNCN-AWEZNQCLSA-N 0 3 335.249 3.262 50 0 EGAAHN CN(C)C[C@@H]1CSCCCN1C(=O)/C=C/c1ccccc1Cl ZINC000085473121 454030782 /nfs/dbraw/zinc/03/07/82/454030782.db2.gz GNRBXEXQIKKOGU-XVJNWHFHSA-N 0 3 338.904 3.249 50 0 EGAAHN COc1c(CNC[C@H]2CCN(C)c3ccccc32)c(C(C)C)nn1C ZINC000058421511 454201363 /nfs/dbraw/zinc/20/13/63/454201363.db2.gz QCYUDPDGEQPECO-OAHLLOKOSA-N 0 3 342.487 3.265 50 0 EGAAHN CCCNC(=O)N1CCCN(Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071764228 454217277 /nfs/dbraw/zinc/21/72/77/454217277.db2.gz BVKWGKOJVNGZKO-SFHVURJKSA-N 0 3 335.467 3.478 50 0 EGAAHN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)OCc2ccccc2)C[C@@H]1N ZINC000071791416 454218908 /nfs/dbraw/zinc/21/89/08/454218908.db2.gz CSXFKPWYLDEBEW-JKSUJKDBSA-N 0 3 348.443 3.052 50 0 EGAAHN CN(C)CCC[C@H]1C(=O)[C@@H](c2ccccc2)N(c2ccccc2)C1=O ZINC000095857870 454232046 /nfs/dbraw/zinc/23/20/46/454232046.db2.gz CWNJEYNRTSTRHF-RBUKOAKNSA-N 0 3 336.435 3.302 50 0 EGAAHN c1ccc([C@H]2CCN(CCNc3nccc(-c4ccccn4)n3)C2)cc1 ZINC000096149887 454293033 /nfs/dbraw/zinc/29/30/33/454293033.db2.gz KCTZJQUTSJMWIR-SFHVURJKSA-N 0 3 345.450 3.440 50 0 EGAAHN Cc1cc(N2CCC[C@@H](CCc3c(F)cccc3F)C2)nc(N)n1 ZINC000072422120 454295841 /nfs/dbraw/zinc/29/58/41/454295841.db2.gz YNKPUTNHLKFJKE-ZDUSSCGKSA-N 0 3 332.398 3.495 50 0 EGAAHN CN1CCC(NC(=O)CCCSc2ccc(Cl)cc2)CC1 ZINC000061031052 454325594 /nfs/dbraw/zinc/32/55/94/454325594.db2.gz GMIDVJUBRJZKAB-UHFFFAOYSA-N 0 3 326.893 3.423 50 0 EGAAHN CN(C)[C@@H](CNC(=O)/C=C/c1ccsc1)c1ccc2c(c1)CCO2 ZINC000090607246 454327717 /nfs/dbraw/zinc/32/77/17/454327717.db2.gz HNGPLRAUDVDDJG-ZVVFDCPKSA-N 0 3 342.464 3.115 50 0 EGAAHN CCn1nc(C(C)C)cc1C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000091269927 454420415 /nfs/dbraw/zinc/42/04/15/454420415.db2.gz UUQIABXPULKQBS-LJQANCHMSA-N 0 3 342.487 3.368 50 0 EGAAHN CCOc1ccc([C@@H](O)CN2CCN(C3CCCCC3)CC2)cc1 ZINC000065255253 454544968 /nfs/dbraw/zinc/54/49/68/454544968.db2.gz VNQJIHXVZNMLDK-FQEVSTJZSA-N 0 3 332.488 3.069 50 0 EGAAHN O=c1c2cc(Cl)ccc2occ1[C@@H]1NCC[C@]2(O)CCCC[C@@H]12 ZINC000169676054 454930056 /nfs/dbraw/zinc/93/00/56/454930056.db2.gz KHDRMEPKJVXMQZ-QILLFSRXSA-N 0 3 333.815 3.402 50 0 biogenic EGAAHN O=C(CCN1CCCC[C@@H]1CCc1ccccn1)Nc1nccs1 ZINC000252480003 455807542 /nfs/dbraw/zinc/80/75/42/455807542.db2.gz BRLFPXKZSBUQCO-MRXNPFEDSA-N 0 3 344.484 3.354 50 0 EGAAHN Cc1ccc(C)c(NC(=O)CCN2CC(N3CCCC[C@@H]3C)C2)c1 ZINC000252488690 455811142 /nfs/dbraw/zinc/81/11/42/455811142.db2.gz IXADAHZEJRETEH-KRWDZBQOSA-N 0 3 329.488 3.191 50 0 EGAAHN CN(Cc1ccccc1CN1CCCC1)C(=O)c1ccn(C(F)F)n1 ZINC000220509035 456040175 /nfs/dbraw/zinc/04/01/75/456040175.db2.gz OAIMLEJPBFNSTA-UHFFFAOYSA-N 0 3 348.397 3.146 50 0 EGAAHN CN(C)c1cccc(-c2ccc(C(=O)N3CCN4CCC[C@H]4C3)cc2)c1 ZINC000426376369 457815409 /nfs/dbraw/zinc/81/54/09/457815409.db2.gz MUUPPZUHFVQZBS-NRFANRHFSA-N 0 3 349.478 3.340 50 0 EGAAHN COCCCN(Cc1ccc(C)cc1)C(=O)NC[C@H]1CCCCN1C ZINC000426474282 457836754 /nfs/dbraw/zinc/83/67/54/457836754.db2.gz NNLOHRSWURPLNY-LJQANCHMSA-N 0 3 347.503 3.027 50 0 EGAAHN COc1ccc(CN2CC[C@]3(OC)CC[C@@H](OC)C[C@H]23)c(OC)c1C ZINC000426501915 457843531 /nfs/dbraw/zinc/84/35/31/457843531.db2.gz SHUGLTJUBQGOJX-IMFGXOCKSA-N 0 3 349.471 3.171 50 0 EGAAHN CC(=O)c1cc(CN2CCCC[C@@H]2CCn2ccnc2C)n(C)c1 ZINC000215109092 534816866 /nfs/dbraw/zinc/81/68/66/534816866.db2.gz QUEOADAOYAJYBV-GOSISDBHSA-N 0 3 328.460 3.177 50 0 EGAAHN Cc1cccc(-n2cc(CN(C)C(=O)CN3CCCCCC3)cn2)c1 ZINC000219659028 547241869 /nfs/dbraw/zinc/24/18/69/547241869.db2.gz OFJTUBQCKHTNQB-UHFFFAOYSA-N 0 3 340.471 3.015 50 0 EGAAHN CCOc1ccc(CN2CCc3nnc(-c4ccccc4)n3CC2)cc1 ZINC000023145952 1291230980 /nfs/dbraw/zinc/23/09/80/1291230980.db2.gz BWZRRUXFDNEWBO-UHFFFAOYSA-N 0 3 348.450 3.402 50 0 EGAAHN CC[C@H](C(=O)Nc1ccccc1CN1CCCCC1)n1cccn1 ZINC000952985235 1334630821 /nfs/dbraw/zinc/63/08/21/1334630821.db2.gz FRXZYXZPDQSUHW-GOSISDBHSA-N 0 3 326.444 3.459 50 0 EGAAHN Cc1ccc([C@H](C)CC[NH+]2CCC(c3cc(=O)[n-]c(C)n3)CC2)o1 ZINC000097766203 219055787 /nfs/dbraw/zinc/05/57/87/219055787.db2.gz ZIJVTRHMGPGKIM-CYBMUJFWSA-N 0 3 329.444 3.353 50 0 EGAAHN c1nc(C2CCN(Cc3cc(CN4CCCC4)cs3)CC2)no1 ZINC000097819686 219058395 /nfs/dbraw/zinc/05/83/95/219058395.db2.gz LSZNSFLFTYKKNA-UHFFFAOYSA-N 0 3 332.473 3.107 50 0 EGAAHN CC(C)CC[C@@H](CC(=O)NCCN(C)C)[C@@H]1CCOC(C)(C)C1 ZINC000004084478 210115731 /nfs/dbraw/zinc/11/57/31/210115731.db2.gz LHZAEUFCMPVBIP-DLBZAZTESA-N 0 3 326.525 3.312 50 0 biogenic EGAAHN c1[nH]c2ccccc2c1CCNc1ncnc2sc3c(c21)CCNC3 ZINC000067447271 215146857 /nfs/dbraw/zinc/14/68/57/215146857.db2.gz WDJJVRUDIKLZHT-UHFFFAOYSA-N 0 3 349.463 3.473 50 0 EGAAHN Cc1c(O)cccc1C(=O)NCC1CCN(CCC(F)(F)F)CC1 ZINC000067679356 215184253 /nfs/dbraw/zinc/18/42/53/215184253.db2.gz APHORJIEHNUUGV-UHFFFAOYSA-N 0 3 344.377 3.095 50 0 EGAAHN Cc1c2ccccc2[nH]c1CN1CC[C@@H](CNC(=O)NC(C)C)C1 ZINC000067726810 215196756 /nfs/dbraw/zinc/19/67/56/215196756.db2.gz LFXOKILFWXRMBG-HNNXBMFYSA-N 0 3 328.460 3.006 50 0 EGAAHN CN(Cc1ccc2ccccc2n1)C1CCN(C(=O)C2CCC2)CC1 ZINC000067758414 215205699 /nfs/dbraw/zinc/20/56/99/215205699.db2.gz WJHKAFQDDCRIFH-UHFFFAOYSA-N 0 3 337.467 3.458 50 0 EGAAHN COc1ccc2c(C)nc(N3CC(N4CCCC[C@@H]4C)C3)nc2c1 ZINC000067806002 215218104 /nfs/dbraw/zinc/21/81/04/215218104.db2.gz IIVQFFKDOMWSDQ-ZDUSSCGKSA-N 0 3 326.444 3.010 50 0 EGAAHN Cc1ccncc1C(=O)NC[C@H]1CCN(Cc2cc3ccccc3[nH]2)C1 ZINC000067872563 215237053 /nfs/dbraw/zinc/23/70/53/215237053.db2.gz AJVFHWSXWIZNKA-MRXNPFEDSA-N 0 3 348.450 3.123 50 0 EGAAHN Cc1ccccc1CNc1nc(-c2ccncc2)nc2c1CCNC2 ZINC000067856524 215233957 /nfs/dbraw/zinc/23/39/57/215233957.db2.gz ZDDHSWVQNVSKGT-UHFFFAOYSA-N 0 3 331.423 3.105 50 0 EGAAHN CSc1ccc(CN2CCN(CCC(C)C)[C@H](CCO)C2)cc1 ZINC000104400247 219383441 /nfs/dbraw/zinc/38/34/41/219383441.db2.gz BRSPYIHZWZIYSG-GOSISDBHSA-N 0 3 336.545 3.323 50 0 EGAAHN COc1ccc(C[C@@H]2NCCc3cc(OC)c(OC)cc32)cc1OC ZINC000000057530 209393615 /nfs/dbraw/zinc/39/36/15/209393615.db2.gz YXWQTVWJNHKSCC-INIZCTEOSA-N 0 3 343.423 3.151 50 0 biogenic,in-vitro EGAAHN C[C@@H]1CCCCN1C1CN(Cc2ccc(CCC(C)(C)O)cc2)C1 ZINC000072433083 216227323 /nfs/dbraw/zinc/22/73/23/216227323.db2.gz HSUIMLYYFZOJEZ-QGZVFWFLSA-N 0 3 330.516 3.449 50 0 EGAAHN CCN(CC)C(=O)[C@@H]1CCCN(C/C=C/c2ccccc2OC)C1 ZINC000023282002 212366428 /nfs/dbraw/zinc/36/64/28/212366428.db2.gz BWYUKIDRIHUSNP-VEGGFIAOSA-N 0 3 330.472 3.289 50 0 EGAAHN Cc1nccnc1CN1CC[C@@](O)(c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000215162586 241111623 /nfs/dbraw/zinc/11/16/23/241111623.db2.gz HNIDBNJWGPFDRC-SESVDKBCSA-N 0 3 337.467 3.437 50 0 EGAAHN Cc1ccccc1-c1cccc(CN2CCN3CCN(C)C[C@@H]3C2)c1 ZINC000216011364 241159218 /nfs/dbraw/zinc/15/92/18/241159218.db2.gz LJZIALCJZPLFIH-OAQYLSRUSA-N 0 3 335.495 3.094 50 0 EGAAHN CN(CCCc1nccn1C)Cc1cnc(C2CCCCC2)nc1 ZINC000216511830 241197931 /nfs/dbraw/zinc/19/79/31/241197931.db2.gz QFLFEFOUSGKJCO-UHFFFAOYSA-N 0 3 327.476 3.322 50 0 EGAAHN Cc1nc(CN(C)C[C@H]2CN(Cc3ccccc3)CCCO2)cs1 ZINC000244774103 243078188 /nfs/dbraw/zinc/07/81/88/243078188.db2.gz POBYRTHWNMXDAF-IBGZPJMESA-N 0 3 345.512 3.174 50 0 EGAAHN CC(C)CCN1CCN(Cc2cccc3cccnc32)C[C@@H]1CCO ZINC000020778222 212169364 /nfs/dbraw/zinc/16/93/64/212169364.db2.gz HLGFRBHRGSJQDM-FQEVSTJZSA-N 0 3 341.499 3.150 50 0 EGAAHN COc1cc(OC)c(OC)cc1CNC[C@@H]1OCCc2ccccc21 ZINC000019901057 212080964 /nfs/dbraw/zinc/08/09/64/212080964.db2.gz SCFUYHDFSFQHID-FQEVSTJZSA-N 0 3 343.423 3.116 50 0 EGAAHN OCC[C@@H]1CN(C2CCCCC2)CCN1Cc1ccc(F)c(F)c1 ZINC000019790915 212067745 /nfs/dbraw/zinc/06/77/45/212067745.db2.gz SZWCNOMDBIDZLG-QGZVFWFLSA-N 0 3 338.442 3.166 50 0 EGAAHN Cc1ccc(C(=O)N[C@H]2CCCN(CCCc3ccccc3)C2)cn1 ZINC000012453474 211387070 /nfs/dbraw/zinc/38/70/70/211387070.db2.gz CSQHVKRJAQLYKC-FQEVSTJZSA-N 0 3 337.467 3.217 50 0 EGAAHN Cc1cc(C(=O)N[C@H]2CCCN(CCc3ccccc3)C2)c(C)o1 ZINC000012442223 211383405 /nfs/dbraw/zinc/38/34/05/211383405.db2.gz AANGVJPSFAEHHA-SFHVURJKSA-N 0 3 326.440 3.333 50 0 EGAAHN O=C(CCc1ccco1)N[C@H]1CCCN(CCc2ccccc2)C1 ZINC000012203563 211320541 /nfs/dbraw/zinc/32/05/41/211320541.db2.gz HPJQFRGJHTUXGU-SFHVURJKSA-N 0 3 326.440 3.036 50 0 EGAAHN CCOc1cccc(CN2CCC[C@@H](CCC(=O)NC3CC3)C2)c1 ZINC000012209201 211320592 /nfs/dbraw/zinc/32/05/92/211320592.db2.gz IFBHUGVFEWBZFX-INIZCTEOSA-N 0 3 330.472 3.356 50 0 EGAAHN COc1ccc(CN2CCC3(CCC(=O)N(C4CC4)C3)CC2)c(C)c1 ZINC000091486693 218013291 /nfs/dbraw/zinc/01/32/91/218013291.db2.gz JJVJHYAZVFQXOO-UHFFFAOYSA-N 0 3 342.483 3.371 50 0 EGAAHN FC(F)(F)c1ccc(CN2C[C@H]3CC[C@H](CN3CC3CC3)C2)cn1 ZINC000091536527 218019334 /nfs/dbraw/zinc/01/93/34/218019334.db2.gz PVPYFSKDTHNKLD-JKSUJKDBSA-N 0 3 339.405 3.407 50 0 EGAAHN COc1cccc(CN2CCC3(CCC(=O)N(CC4CC4)C3)CC2)c1 ZINC000091677266 218045498 /nfs/dbraw/zinc/04/54/98/218045498.db2.gz FVOUJIVIBXHLFR-UHFFFAOYSA-N 0 3 342.483 3.310 50 0 EGAAHN CCOC(=O)[C@]1(Cc2ccccc2)CCCN(Cc2ccncc2)C1 ZINC000011665453 211231994 /nfs/dbraw/zinc/23/19/94/211231994.db2.gz UAHLWUCQZFMPGH-NRFANRHFSA-N 0 3 338.451 3.470 50 0 EGAAHN CC[C@@H]1CCCCN1CCCNS(=O)(=O)Cc1ccc(C)cc1 ZINC000010544234 211180755 /nfs/dbraw/zinc/18/07/55/211180755.db2.gz VCCIDYVNTMJLPZ-GOSISDBHSA-N 0 3 338.517 3.069 50 0 EGAAHN NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000010362003 211167423 /nfs/dbraw/zinc/16/74/23/211167423.db2.gz XIZRLVQPBQDLFR-UHFFFAOYSA-N 0 3 337.423 3.024 50 0 EGAAHN CO[C@]12CCN(Cc3c(C)noc3C)[C@H]1C[C@H](OCC1CC1)CC2 ZINC000299771575 258083939 /nfs/dbraw/zinc/08/39/39/258083939.db2.gz RBPGDJZLCURLMQ-NZSAHSFTSA-N 0 3 334.460 3.230 50 0 EGAAHN O=C(CC1CCN(Cc2ccccc2)CC1)NCCC[C@@H]1CCOC1 ZINC000299787360 258094329 /nfs/dbraw/zinc/09/43/29/258094329.db2.gz QETJONPNZPVNRW-HXUWFJFHSA-N 0 3 344.499 3.222 50 0 EGAAHN CC[C@@H](CO)N(Cc1cccnc1)Cc1cccc(-n2cccn2)c1 ZINC000055061151 258061298 /nfs/dbraw/zinc/06/12/98/258061298.db2.gz XZWIGPKYVXGOAY-IBGZPJMESA-N 0 3 336.439 3.040 50 0 EGAAHN O=C1CC[C@H](CCNCc2cccnc2)N1Cc1ccc(Cl)s1 ZINC000299760643 258078000 /nfs/dbraw/zinc/07/80/00/258078000.db2.gz IQPXRLMBHZLNJP-CQSZACIVSA-N 0 3 349.887 3.467 50 0 EGAAHN COCCn1cncc1CN1CCC2(CCc3ccccc32)CC1 ZINC000243892635 274041134 /nfs/dbraw/zinc/04/11/34/274041134.db2.gz AJUUCXIOKXICNN-UHFFFAOYSA-N 0 3 325.456 3.010 50 0 EGAAHN CNCC(=O)N1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 ZINC000071746163 277263779 /nfs/dbraw/zinc/26/37/79/277263779.db2.gz FQLZCZUAIFOJMC-CYBMUJFWSA-N 0 3 328.378 3.096 50 0 EGAAHN CCN(CCN1CCCCCC1)Cc1cnc(N2CCCC2)s1 ZINC000097773003 279188242 /nfs/dbraw/zinc/18/82/42/279188242.db2.gz SHDKWBCVHPQWOQ-UHFFFAOYSA-N 0 3 336.549 3.441 50 0 EGAAHN Cc1cnc(C(=O)N2CCCC[C@@H]2c2ccc(CN(C)C)cc2)cn1 ZINC000077287467 292872146 /nfs/dbraw/zinc/87/21/46/292872146.db2.gz JBJQJYPHXCTVGN-LJQANCHMSA-N 0 3 338.455 3.214 50 0 EGAAHN O=C(NC[C@H](c1ccccc1)N1CCCCCC1)c1ccc[nH]c1=O ZINC000244811484 455277399 /nfs/dbraw/zinc/27/73/99/455277399.db2.gz SDOVTCZBAZQZES-GOSISDBHSA-N 0 3 339.439 3.134 50 0 EGAAHN CCN(CC)C[C@@H](O)Cn1c2ccc(C)cc2c2c1C(=O)CCC2 ZINC000000074824 452501120 /nfs/dbraw/zinc/50/11/20/452501120.db2.gz JDAXYMGPQSIKGJ-OAHLLOKOSA-N 0 3 328.456 3.171 50 0 EGAAHN CCOC(=O)c1c2c(sc1NC(=O)CN[C@H](C)CC)CCCC2 ZINC000000131695 452515114 /nfs/dbraw/zinc/51/51/14/452515114.db2.gz DJSCEFCXOPIKHJ-LLVKDONJSA-N 0 3 338.473 3.130 50 0 EGAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1ccn(C(F)F)n1 ZINC000002793169 452724591 /nfs/dbraw/zinc/72/45/91/452724591.db2.gz SPBUKKYCEGEMTD-BBRMVZONSA-N 0 3 346.381 3.035 50 0 EGAAHN C[C@@H]1CCc2sc3nc(SCCN(C)C)n4ncnc4c3c2C1 ZINC000005533169 452882681 /nfs/dbraw/zinc/88/26/81/452882681.db2.gz FJDPGNXRIHXBHU-SNVBAGLBSA-N 0 3 347.513 3.118 50 0 EGAAHN CCN(CC)CCOC(=O)[C@](O)(c1cccs1)C1CCCC1 ZINC000005847734 452905354 /nfs/dbraw/zinc/90/53/54/452905354.db2.gz ASXBIKGZCPZCAN-QGZVFWFLSA-N 0 3 325.474 3.011 50 0 EGAAHN CCc1ccc2[nH]c(C)c(CN(C)C3CCN(C)CC3)c(=O)c2c1 ZINC000008714154 453225896 /nfs/dbraw/zinc/22/58/96/453225896.db2.gz VXJVUTWEOJXKPQ-UHFFFAOYSA-N 0 3 327.472 3.337 50 0 EGAAHN C/C=C(\C)CN1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000020536241 453666159 /nfs/dbraw/zinc/66/61/59/453666159.db2.gz LAPBFFNKCXHAGV-HLEHRXSFSA-N 0 3 331.479 3.378 50 0 EGAAHN CC(C)(CN1CCCC1)NC(=O)Nc1nc(-c2ccccc2)ns1 ZINC000032519484 453877034 /nfs/dbraw/zinc/87/70/34/453877034.db2.gz VBWMXPHAGIZCQK-UHFFFAOYSA-N 0 3 345.472 3.201 50 0 EGAAHN Cc1cc(C(=O)N2CC[C@@H]3CC[C@H](C2)N3C)c2ccc(C)c(C)c2n1 ZINC000077408355 454102792 /nfs/dbraw/zinc/10/27/92/454102792.db2.gz TZHDWMSMIRKMJF-DLBZAZTESA-N 0 3 337.467 3.469 50 0 EGAAHN NC1(C(=O)N2CCC[C@H](CCc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000071735677 454211509 /nfs/dbraw/zinc/21/15/09/454211509.db2.gz KKHINCAFZICUNW-CQSZACIVSA-N 0 3 340.389 3.368 50 0 EGAAHN CCc1nn(C)c(Cl)c1CN1CC[C@@H](Cc2ccc(CO)cc2)C1 ZINC000091288714 454422932 /nfs/dbraw/zinc/42/29/32/454422932.db2.gz QBDIKQQXUIRGHD-INIZCTEOSA-N 0 3 347.890 3.193 50 0 EGAAHN O=C(NCCN1CCC[C@@H](c2ccccc2)C1)c1cc(Cl)c[nH]1 ZINC000426477316 457839308 /nfs/dbraw/zinc/83/93/08/457839308.db2.gz BPPFPKXIJRYLMH-OAHLLOKOSA-N 0 3 331.847 3.278 50 0 EGAAHN Cc1nnsc1C(=O)NC[C@@H](c1csc2ccccc21)N(C)C ZINC000575618694 459986405 /nfs/dbraw/zinc/98/64/05/459986405.db2.gz BAMAYWSYQJISFB-ZDUSSCGKSA-N 0 3 346.481 3.094 50 0 EGAAHN O=C1NCCCC[C@@H]1NCc1cccc(OCc2cccs2)c1 ZINC000299763469 527060856 /nfs/dbraw/zinc/06/08/56/527060856.db2.gz NNMPAWIMLYQVRW-KRWDZBQOSA-N 0 3 330.453 3.085 50 0 EGAAHN CN(C)Cc1csc(CN(C)Cc2nc3cc(F)ccc3[nH]2)c1 ZINC000215198906 536060593 /nfs/dbraw/zinc/06/05/93/536060593.db2.gz CHKNZACUPGDCDL-UHFFFAOYSA-N 0 3 332.448 3.457 50 0 EGAAHN COc1ccc(-c2ccc(CN(C)CCc3cnn(C)c3)o2)cc1 ZINC000215559727 536895842 /nfs/dbraw/zinc/89/58/42/536895842.db2.gz HYAUKOMJHXLEHE-UHFFFAOYSA-N 0 3 325.412 3.363 50 0 EGAAHN COC[C@@H]1CCCN(Cc2ccc3cc(NC(C)=O)ccc3n2)C1 ZINC000670443405 548215478 /nfs/dbraw/zinc/21/54/78/548215478.db2.gz WINJHDUZXWALNW-OAHLLOKOSA-N 0 3 327.428 3.052 50 0 EGAAHN C[C@H](c1ccc2c(c1)OCCO2)N(C)Cc1cccc2nonc21 ZINC000952978897 1334629406 /nfs/dbraw/zinc/62/94/06/1334629406.db2.gz SLBFTWLAKOZOLE-GFCCVEGCSA-N 0 3 325.368 3.187 50 0 EGAAHN CCc1nc2cc(NC(=O)[C@H](N)Cc3ccccc3)ccc2n1CC ZINC000952988366 1334631242 /nfs/dbraw/zinc/63/12/42/1334631242.db2.gz LIOKFUAGCCGSNR-MRXNPFEDSA-N 0 3 336.439 3.127 50 0 EGAAHN c1ccc2c(c1)[nH]c1c2CCOC12CCN(Cc1cncnc1)CC2 ZINC001704301295 1416432694 /nfs/dbraw/zinc/43/26/94/1416432694.db2.gz UBLSWGYLZWSSKD-UHFFFAOYSA-N 0 3 334.423 3.022 50 0 EGAAHN O[C@@H]1CCC[C@]12CCCN(Cc1ccc3c(c1)OC(F)(F)O3)C2 ZINC001704296981 1416433114 /nfs/dbraw/zinc/43/31/14/1416433114.db2.gz BANKRPSCBLUAHO-HZPDHXFCSA-N 0 3 325.355 3.135 50 0 EGAAHN Cc1ncc(Cl)c(NC[C@H]2CN(Cc3ccccc3)CCCO2)n1 ZINC001772711310 1441417331 /nfs/dbraw/zinc/41/73/31/1441417331.db2.gz BBBKCVCKGDQMDC-INIZCTEOSA-N 0 3 346.862 3.141 50 0 EGAAHN COc1cccc(OC)c1CN1CCC(c2cc[nH]c(=O)c2)CC1 ZINC001772814308 1441417727 /nfs/dbraw/zinc/41/77/27/1441417727.db2.gz SCWYZLLSTYSSDB-UHFFFAOYSA-N 0 3 328.412 3.184 50 0 EGAAHN CN(C)C[C@@H](c1ccccc1)N(C)C(=O)c1cnc2c(c1)CCCC2 ZINC000097631936 219042875 /nfs/dbraw/zinc/04/28/75/219042875.db2.gz KBNPNDIQAQCPMC-FQEVSTJZSA-N 0 3 337.467 3.335 50 0 EGAAHN O=C(CC(c1ccccc1)c1ccccc1)NC[C@@H]1C[C@H](F)CN1 ZINC000368386457 168349508 /nfs/dbraw/zinc/34/95/08/168349508.db2.gz XMWLUNLEXQVNRQ-ROUUACIJSA-N 0 3 326.415 3.025 50 0 EGAAHN Fc1ccc(-n2cccn2)c(CN2CCC(c3ccncn3)CC2)c1 ZINC000097733039 219052698 /nfs/dbraw/zinc/05/26/98/219052698.db2.gz GACZCSUIHLYLOK-UHFFFAOYSA-N 0 3 337.402 3.181 50 0 EGAAHN C[C@H](CNCc1c[nH]nc1-c1ccc(F)cc1)Oc1cccnc1 ZINC000055053311 214267977 /nfs/dbraw/zinc/26/79/77/214267977.db2.gz HNIJBOFETHNSBU-CYBMUJFWSA-N 0 3 326.375 3.168 50 0 EGAAHN C[C@@H](NCCC(=O)Nc1nccs1)c1ccccc1-n1cccn1 ZINC000065393609 214886229 /nfs/dbraw/zinc/88/62/29/214886229.db2.gz ZUQAEFWXSWULDF-CYBMUJFWSA-N 0 3 341.440 3.008 50 0 EGAAHN O=C(NC[C@H]1CCN(Cc2ccccc2F)C1)c1ccncc1Cl ZINC000067472730 215150538 /nfs/dbraw/zinc/15/05/38/215150538.db2.gz ZGDVOBVOHMQELQ-CYBMUJFWSA-N 0 3 347.821 3.126 50 0 EGAAHN Cc1ccccc1CNc1nc(-c2cccnc2)nc2c1CCNC2 ZINC000067539950 215158998 /nfs/dbraw/zinc/15/89/98/215158998.db2.gz RMQYPCXWPXVWPO-UHFFFAOYSA-N 0 3 331.423 3.105 50 0 EGAAHN Cc1ncc(CO)c(CN2CCCC[C@H]2c2ccc(F)cc2)c1O ZINC000067675008 215180326 /nfs/dbraw/zinc/18/03/26/215180326.db2.gz KWUWWQLMNYPNPV-SFHVURJKSA-N 0 3 330.403 3.454 50 0 EGAAHN Cc1ccoc1C(=O)NC[C@@H]1CCN(Cc2ccc3ccccc3n2)C1 ZINC000067725999 215196158 /nfs/dbraw/zinc/19/61/58/215196158.db2.gz ZTFGJGWMHXJYBA-INIZCTEOSA-N 0 3 349.434 3.388 50 0 EGAAHN Cc1ncc(CN2CC[C@@]3(C2)CCCN(C(=O)OCC(C)(C)C)C3)[nH]1 ZINC000067834051 215225133 /nfs/dbraw/zinc/22/51/33/215225133.db2.gz FSBZKMGZSZGEAC-LJQANCHMSA-N 0 3 348.491 3.189 50 0 EGAAHN Cc1c2ccccc2[nH]c1CN1CCC(CNC(=O)C(C)C)CC1 ZINC000067935455 215254984 /nfs/dbraw/zinc/25/49/84/215254984.db2.gz VTAPZOZQBYHYRU-UHFFFAOYSA-N 0 3 327.472 3.461 50 0 EGAAHN Cc1nn2c(nc3c(c2NCCN(C)C)CCC3)c1-c1ccccc1 ZINC000002230711 209831695 /nfs/dbraw/zinc/83/16/95/209831695.db2.gz PPZRHAJXQSFCHD-UHFFFAOYSA-N 0 3 335.455 3.167 50 0 EGAAHN CCOc1ccccc1CN1CCN(C2CCCCC2)C[C@H]1CCO ZINC000104465593 219388695 /nfs/dbraw/zinc/38/86/95/219388695.db2.gz VXOXCYAPUDDVOF-HXUWFJFHSA-N 0 3 346.515 3.287 50 0 EGAAHN CC(C)N1CCN(Cc2cccc(-c3ccco3)c2)C[C@H]1CCO ZINC000104503905 219392029 /nfs/dbraw/zinc/39/20/29/219392029.db2.gz RVDYIGTWGYRGGN-LJQANCHMSA-N 0 3 328.456 3.224 50 0 EGAAHN CCNc1cc(NCCNC(=O)Nc2cccc(C)c2C)nc(C)n1 ZINC000036708111 213111879 /nfs/dbraw/zinc/11/18/79/213111879.db2.gz MKJHDGFFXQTGLB-UHFFFAOYSA-N 0 3 342.447 3.067 50 0 EGAAHN CN(C)CCNC(=O)c1cc2occc2n1Cc1ccc(Cl)cc1 ZINC000036366974 213090353 /nfs/dbraw/zinc/09/03/53/213090353.db2.gz NBWDZVUFVPHUIC-UHFFFAOYSA-N 0 3 345.830 3.227 50 0 EGAAHN CC(C)(C)c1cc(CN2CCC[C@]3(C2)c2ccccc2NC3=O)n[nH]1 ZINC000072140087 216026550 /nfs/dbraw/zinc/02/65/50/216026550.db2.gz LQZLHWZNWNSLSA-FQEVSTJZSA-N 0 3 338.455 3.193 50 0 EGAAHN FC(F)Oc1cccc(CN2CCCN(Cc3ccncc3)CC2)c1 ZINC000072149068 216036155 /nfs/dbraw/zinc/03/61/55/216036155.db2.gz UVEUUJULRRJCJY-UHFFFAOYSA-N 0 3 347.409 3.391 50 0 EGAAHN CCN(Cc1ccncc1)[C@@H]1CCCN(c2noc(C(C)C)n2)C1 ZINC000072166792 216056805 /nfs/dbraw/zinc/05/68/05/216056805.db2.gz XPVDKDWLFITOFX-MRXNPFEDSA-N 0 3 329.448 3.079 50 0 EGAAHN CC[C@H](Cn1ccnc1-c1ccc(SC)cc1)N1CCN(C)CC1 ZINC000072421142 216208817 /nfs/dbraw/zinc/20/88/17/216208817.db2.gz OQJCZXHZFPHACV-QGZVFWFLSA-N 0 3 344.528 3.298 50 0 EGAAHN COc1ccc(CN2CCN(CCC=C(C)C)C[C@@H]2CCO)cc1C ZINC000072480053 216260580 /nfs/dbraw/zinc/26/05/80/216260580.db2.gz KKKWQIVVVZGRPK-FQEVSTJZSA-N 0 3 346.515 3.229 50 0 EGAAHN CCC[C@H]1COCCN1Cc1ccc(OC)c(CN2CCCC2)c1 ZINC000214995928 241099996 /nfs/dbraw/zinc/09/99/96/241099996.db2.gz MIRWAYFURUSGER-IBGZPJMESA-N 0 3 332.488 3.292 50 0 EGAAHN Cc1cc(C)n(-c2ccc(F)cc2CN(C)CCn2ccnc2C)n1 ZINC000216472950 241194610 /nfs/dbraw/zinc/19/46/10/241194610.db2.gz GQIORLYGPMEBPK-UHFFFAOYSA-N 0 3 341.434 3.265 50 0 EGAAHN CC(C)n1ccnc1C1CCN(CCC(=O)Nc2cccnc2)CC1 ZINC000244716315 243067770 /nfs/dbraw/zinc/06/77/70/243067770.db2.gz LMVRBAURTIYYEI-UHFFFAOYSA-N 0 3 341.459 3.067 50 0 EGAAHN CN1CCN(CCCOc2ccccc2OCc2ccccc2)CC1 ZINC000020639473 212158734 /nfs/dbraw/zinc/15/87/34/212158734.db2.gz ACCBPYRVWPBUTJ-UHFFFAOYSA-N 0 3 340.467 3.282 50 0 EGAAHN COc1ccc(CN2CCN(C3CCC(C)CC3)CC2)c(OC)c1 ZINC000019788479 212066852 /nfs/dbraw/zinc/06/68/52/212066852.db2.gz LBDBXEOWSXAOQJ-UHFFFAOYSA-N 0 3 332.488 3.400 50 0 EGAAHN Cc1cc(N2CCCN(C(=O)c3ccco3)CC2)c2ccccc2n1 ZINC000377518346 169034785 /nfs/dbraw/zinc/03/47/85/169034785.db2.gz GDGQWDRDVMNCOS-UHFFFAOYSA-N 0 3 335.407 3.489 50 0 EGAAHN CCCCNC(=O)N1CC[C@H](C2CCN(Cc3cccnc3)CC2)C1 ZINC000011938649 211271877 /nfs/dbraw/zinc/27/18/77/211271877.db2.gz YHZLESVNTUFTLZ-IBGZPJMESA-N 0 3 344.503 3.125 50 0 EGAAHN O=C(Nc1ccc(SCCN2CCCCC2)nn1)c1ccccc1 ZINC000011737866 211241083 /nfs/dbraw/zinc/24/10/83/211241083.db2.gz IUGXIQZSOSQSHT-UHFFFAOYSA-N 0 3 342.468 3.307 50 0 EGAAHN CC(C)[C@H]1CN(CCCC(F)(F)F)C[C@@H]1NC(=O)c1ccoc1 ZINC000091643405 218037087 /nfs/dbraw/zinc/03/70/87/218037087.db2.gz XBGBMFFDAVBGDE-KGLIPLIRSA-N 0 3 332.366 3.308 50 0 EGAAHN O=C(NCCCc1ccccn1)c1ccc(CN2CCCCC2)cc1 ZINC000091819713 218070909 /nfs/dbraw/zinc/07/09/09/218070909.db2.gz QADHFCJMZBMKSU-UHFFFAOYSA-N 0 3 337.467 3.430 50 0 EGAAHN COCCC[C@@]1(CO)CCCN(CCOc2ccc(Cl)cc2)C1 ZINC000091755827 218060530 /nfs/dbraw/zinc/06/05/30/218060530.db2.gz GJWDLXOVSUFXDE-SFHVURJKSA-N 0 3 341.879 3.220 50 0 EGAAHN Cc1ccc([C@@H]2CN(C(=O)c3cccnc3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095367273 218300374 /nfs/dbraw/zinc/30/03/74/218300374.db2.gz PWJYHSBQPKRGJX-PWRODBHTSA-N 0 3 347.462 3.092 50 0 EGAAHN CCN(CCN1CCCCCC1)C(=O)Nc1ccc2c(cnn2C)c1 ZINC000299794288 258099346 /nfs/dbraw/zinc/09/93/46/258099346.db2.gz KBODEFRGVIUDMN-UHFFFAOYSA-N 0 3 343.475 3.303 50 0 EGAAHN Cc1cccc(CN2C(=O)CC[C@@H]2CCNCc2ccccc2F)n1 ZINC000299764869 258079927 /nfs/dbraw/zinc/07/99/27/258079927.db2.gz UUWCFAGWETXVPO-GOSISDBHSA-N 0 3 341.430 3.200 50 0 EGAAHN O=C(NCCCn1ccnc1)c1cccc(CN2CCCCCC2)c1 ZINC000299766134 258080892 /nfs/dbraw/zinc/08/08/92/258080892.db2.gz BCAHKHYPZIVGRU-UHFFFAOYSA-N 0 3 340.471 3.079 50 0 EGAAHN COc1cccc2cccc([C@@H]3NC(=N)Nc4nc5ccccc5n43)c21 ZINC000004741783 278043452 /nfs/dbraw/zinc/04/34/52/278043452.db2.gz XHELBNITNZANBT-GOSISDBHSA-N 0 3 343.390 3.294 50 0 EGAAHN C[C@H](CN(C)Cc1ccc2cccc(Cl)c2n1)N1CCOCC1 ZINC000220150377 279280955 /nfs/dbraw/zinc/28/09/55/279280955.db2.gz MZMLOKUIPLQOPV-CQSZACIVSA-N 0 3 333.863 3.041 50 0 EGAAHN O=C(CSC1CCCC1)N1CCCSC[C@@H]1CN1CCCC1 ZINC000085473135 454030867 /nfs/dbraw/zinc/03/08/67/454030867.db2.gz XLBLQNYLRBTCFP-HNNXBMFYSA-N 0 3 342.574 3.092 50 0 EGAAHN CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccccc1)[C@H](C)N2 ZINC000000004088 452491579 /nfs/dbraw/zinc/49/15/79/452491579.db2.gz XXBDOTXPQDVHIP-JTQLQIEISA-N 0 3 325.372 3.167 50 0 investigational EGAAHN Cc1ccc(N2C(=O)C[C@H](NCCc3cccc(Cl)c3)C2=O)cc1 ZINC000000183119 452529353 /nfs/dbraw/zinc/52/93/53/452529353.db2.gz UZWNYNKEKZALTN-KRWDZBQOSA-N 0 3 342.826 3.113 50 0 EGAAHN CN(C)[C@@H](CN1C(=O)c2ccccc2C1=O)c1cn(C)c2ccccc12 ZINC000000494137 452608134 /nfs/dbraw/zinc/60/81/34/452608134.db2.gz QWQXNGCWPCTILQ-IBGZPJMESA-N 0 3 347.418 3.077 50 0 EGAAHN CC[C@@H]1CCCCN1CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000000526708 452614750 /nfs/dbraw/zinc/61/47/50/452614750.db2.gz NMHLNOPFYTVZHA-OAHLLOKOSA-N 0 3 325.456 3.317 50 0 biogenic EGAAHN O[C@@H](COCCC12CC3CC(CC(C3)C1)C2)CN1CCSCC1 ZINC000005043362 452834447 /nfs/dbraw/zinc/83/44/47/452834447.db2.gz MHLYGQIIGUMPMH-GSBYPIHSSA-N 0 3 339.545 3.019 50 0 EGAAHN CCOC(=O)c1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2CC(F)(F)F ZINC000005091613 452836149 /nfs/dbraw/zinc/83/61/49/452836149.db2.gz WEHWZLFXMFRHBE-HIFRSBDPSA-N 0 3 342.361 3.033 50 0 EGAAHN Cc1[nH]c2ccc(N3CCOCC3)cc2c(=O)c1CN1CCCCC1 ZINC000008717448 453226474 /nfs/dbraw/zinc/22/64/74/453226474.db2.gz GAYHSUSIXDNYJN-UHFFFAOYSA-N 0 3 341.455 3.071 50 0 EGAAHN COc1cc(Cl)cc(CNC[C@@H](C)O)c1OCc1ccccc1 ZINC000010474574 453292968 /nfs/dbraw/zinc/29/29/68/453292968.db2.gz WNJOHUIIPZCXJH-CYBMUJFWSA-N 0 3 335.831 3.398 50 0 EGAAHN CC(C)(C)CN1CCC[C@@H]1C(=O)Nc1cccc(-n2cccn2)c1 ZINC000012574408 453378283 /nfs/dbraw/zinc/37/82/83/453378283.db2.gz PRVADFHDWJPSED-QGZVFWFLSA-N 0 3 326.444 3.321 50 0 EGAAHN CCOc1ccc(Cc2sc(Nc3ccccn3)nc2O)cc1 ZINC000013564578 453470104 /nfs/dbraw/zinc/47/01/04/453470104.db2.gz IHKFDNUVZIPCII-CQSZACIVSA-N 0 3 327.409 3.133 50 0 aggregator EGAAHN CCOc1ccc(CC2SC(Nc3ccccn3)=NC2=O)cc1 ZINC000013564578 453470111 /nfs/dbraw/zinc/47/01/11/453470111.db2.gz IHKFDNUVZIPCII-CQSZACIVSA-N 0 3 327.409 3.133 50 0 aggregator EGAAHN CCN1CCC[C@@H]1Cn1cnc2c3cc(Cl)ccc3[nH]c2c1=O ZINC000020057309 453661987 /nfs/dbraw/zinc/66/19/87/453661987.db2.gz AGOBUXGQCMEWBE-GFCCVEGCSA-N 0 3 330.819 3.016 50 0 EGAAHN Cc1ccc([C@@H](CNC(=O)COc2c(C)cccc2C)N(C)C)cc1 ZINC000028289274 453822920 /nfs/dbraw/zinc/82/29/20/453822920.db2.gz IHYSQHDOZYHOLR-LJQANCHMSA-N 0 3 340.467 3.410 50 0 EGAAHN COCCC[C@@H]1CCCN(Cc2cnc(-c3ccccn3)nc2)C1 ZINC000077301485 454087958 /nfs/dbraw/zinc/08/79/58/454087958.db2.gz QHSPRAFNDJSSQY-INIZCTEOSA-N 0 3 326.444 3.177 50 0 EGAAHN CCCc1ccc(CN2CCC[C@]3(CCC(=O)N(CCOC)C3)C2)o1 ZINC000077503977 454114834 /nfs/dbraw/zinc/11/48/34/454114834.db2.gz GTYSRZFDKYIDLQ-FQEVSTJZSA-N 0 3 348.487 3.083 50 0 EGAAHN COc1ccc(-c2cnc(CN3CCC(c4ccn[nH]4)CC3)o2)cc1 ZINC000058227082 454173612 /nfs/dbraw/zinc/17/36/12/454173612.db2.gz KHALGXBKMKSJNI-UHFFFAOYSA-N 0 3 338.411 3.453 50 0 EGAAHN CCn1cc(CN2CCC(N3CCCC3=O)CC2)c2ccccc21 ZINC000071715079 454212002 /nfs/dbraw/zinc/21/20/02/454212002.db2.gz FYHYLPJPFPSPJI-UHFFFAOYSA-N 0 3 325.456 3.248 50 0 EGAAHN Cc1ncsc1CCc1nc(CC2CCN(C)CC2)nn1C(C)C ZINC000095516519 454226798 /nfs/dbraw/zinc/22/67/98/454226798.db2.gz CIAWSYFVWOKYHC-UHFFFAOYSA-N 0 3 347.532 3.293 50 0 EGAAHN CCc1ccc(CN2CCC[C@]3(C2)c2ccccc2N(C)C3=O)nc1 ZINC000072166475 454273358 /nfs/dbraw/zinc/27/33/58/454273358.db2.gz VQZMCRTYDDMJMC-NRFANRHFSA-N 0 3 335.451 3.154 50 0 EGAAHN O=C(NCCN1CCCCC1)Nc1ccc(OCc2ccco2)cc1 ZINC000096131601 454290562 /nfs/dbraw/zinc/29/05/62/454290562.db2.gz LFFZKBSXPHFVSL-UHFFFAOYSA-N 0 3 343.427 3.466 50 0 EGAAHN CCN1CC2(CCC1=O)CCN(CCCC(=O)c1ccccc1)CC2 ZINC000091635875 454454783 /nfs/dbraw/zinc/45/47/83/454454783.db2.gz QVQXEXXZBFUUNK-UHFFFAOYSA-N 0 3 342.483 3.374 50 0 EGAAHN CCCCc1cc(=O)[nH]c(-c2ccc(CN3CCSCC3)cc2)n1 ZINC000048482778 454493354 /nfs/dbraw/zinc/49/33/54/454493354.db2.gz WLEXBHNHNCEPMY-UHFFFAOYSA-N 0 3 343.496 3.328 50 0 EGAAHN O=C(CCN1CCC[C@H](Oc2ccc(F)cc2)C1)Nc1nccs1 ZINC000065370520 454555089 /nfs/dbraw/zinc/55/50/89/454555089.db2.gz UVNNOSOSJVICCR-HNNXBMFYSA-N 0 3 349.431 3.154 50 0 EGAAHN COc1cc(Cl)ccc1C(=O)N1CCCN(C2CCCC2)CC1 ZINC000172417902 455152534 /nfs/dbraw/zinc/15/25/34/455152534.db2.gz VTODSBRFMWALNH-UHFFFAOYSA-N 0 3 336.863 3.439 50 0 EGAAHN O=C(NCc1cc(-c2ccccc2)no1)C1(N2CCCC2)CCCC1 ZINC000244899728 455278554 /nfs/dbraw/zinc/27/85/54/455278554.db2.gz ZOZWBZJWYDEIFP-UHFFFAOYSA-N 0 3 339.439 3.366 50 0 EGAAHN O=C(NCc1cnn2ccccc12)C1(N2CCCCC2)CCCCC1 ZINC000426369419 457814466 /nfs/dbraw/zinc/81/44/66/457814466.db2.gz UYSZFVVAYYSTIH-UHFFFAOYSA-N 0 3 340.471 3.139 50 0 EGAAHN CCC[C@@H](CNC(=O)N(C)Cc1cccc2cnccc21)N(C)C ZINC000534588371 459335014 /nfs/dbraw/zinc/33/50/14/459335014.db2.gz LYKQLVYAENEKLS-KRWDZBQOSA-N 0 3 328.460 3.107 50 0 EGAAHN COCCNCCOc1ccc(C)cc1-c1cccc2c1OCC2 ZINC000534584966 459335186 /nfs/dbraw/zinc/33/51/86/459335186.db2.gz QTRNBCVWFMVOAM-UHFFFAOYSA-N 0 3 327.424 3.212 50 0 EGAAHN C[C@H]1CCCCN1C1CN(C(=O)NCCSCc2ccccc2)C1 ZINC000534629727 459339345 /nfs/dbraw/zinc/33/93/45/459339345.db2.gz IHXMRJAEHVZXGJ-INIZCTEOSA-N 0 3 347.528 3.188 50 0 EGAAHN CC[C@H](c1cccnc1)N(C)C(=O)NCc1ccccc1CN(C)C ZINC000534663326 459344283 /nfs/dbraw/zinc/34/42/83/459344283.db2.gz HIXYMUXBPGPWQF-LJQANCHMSA-N 0 3 340.471 3.436 50 0 EGAAHN CCc1cccc(C)c1NC(=O)CCN1CCC(c2cc[nH]n2)CC1 ZINC000244646922 535860782 /nfs/dbraw/zinc/86/07/82/535860782.db2.gz GRTLYJBDSHWEPF-UHFFFAOYSA-N 0 3 340.471 3.489 50 0 EGAAHN Cc1ccccc1[C@@H]1CCN(CCNC(=O)Cc2cccs2)C1 ZINC000670440581 548215502 /nfs/dbraw/zinc/21/55/02/548215502.db2.gz MLOVPJUARNPZOX-MRXNPFEDSA-N 0 3 328.481 3.205 50 0 EGAAHN Cc1cc(CN(C)[C@H]2CCC(=O)N(Cc3cccc(F)c3)CC2)on1 ZINC000012331912 1291132239 /nfs/dbraw/zinc/13/22/39/1291132239.db2.gz XHJJPIKGDIBDFH-KRWDZBQOSA-N 0 3 345.418 3.135 50 0 EGAAHN CCCn1ncc(CN2CCC[C@@](CO)(Cc3ccccc3)C2)c1C ZINC000012580977 1291132995 /nfs/dbraw/zinc/13/29/95/1291132995.db2.gz SEVHBCGGBMMJLE-OAQYLSRUSA-N 0 3 341.499 3.419 50 0 EGAAHN COc1ccc(CN2CCc3nnc(-c4ccccc4)n3CC2)cc1C ZINC000020999427 1291195955 /nfs/dbraw/zinc/19/59/55/1291195955.db2.gz DQLZNELDWQQDKN-UHFFFAOYSA-N 0 3 348.450 3.320 50 0 EGAAHN Cc1nc(SCCNCc2nc3ccccc3n2CC(C)C)n[nH]1 ZINC000952981835 1334630059 /nfs/dbraw/zinc/63/00/59/1334630059.db2.gz 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/nfs/dbraw/zinc/04/28/12/219042812.db2.gz SPDRXSWTZGJBDS-UHFFFAOYSA-N 0 3 345.874 3.185 50 0 EGAAHN O=C(NCCc1ccccc1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000004725459 210261591 /nfs/dbraw/zinc/26/15/91/210261591.db2.gz LZTIBICVEKZKOS-UHFFFAOYSA-N 0 3 340.442 3.397 50 0 EGAAHN Cc1ccc(N2C(=O)C[C@@H](NCCc3ccccc3Cl)C2=O)cc1 ZINC000004648890 210237077 /nfs/dbraw/zinc/23/70/77/210237077.db2.gz LBBPZJBDOKSUCO-QGZVFWFLSA-N 0 3 342.826 3.113 50 0 EGAAHN O=C1CC2(CCN(Cc3ccccc3)CC2)C(=O)N1c1ccccc1 ZINC000066346297 215034474 /nfs/dbraw/zinc/03/44/74/215034474.db2.gz RVNZEXRADVVJJY-UHFFFAOYSA-N 0 3 334.419 3.232 50 0 EGAAHN Cc1cnccc1C(=O)NC[C@H]1CCN(Cc2cc3ccccc3[nH]2)C1 ZINC000067446664 215147384 /nfs/dbraw/zinc/14/73/84/215147384.db2.gz LORFYUSEWRAOPO-MRXNPFEDSA-N 0 3 348.450 3.123 50 0 EGAAHN O=C(NC[C@@H]1CCN(Cc2ccoc2)C1)c1cc2sccc2[nH]1 ZINC000067643482 215172559 /nfs/dbraw/zinc/17/25/59/215172559.db2.gz GBRGACMWWVRVJL-LBPRGKRZSA-N 0 3 329.425 3.074 50 0 EGAAHN Cc1nc(-c2ccccc2)c(C(=O)NC[C@H]2CCCN(C)C2)s1 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COCOCc1ccccc1[C@]1(O)CCN(C)C[C@@H]1c1ccccc1 ZINC000100464463 454466116 /nfs/dbraw/zinc/46/61/16/454466116.db2.gz ICWWTOIOUJQNDU-NHCUHLMSSA-N 0 3 341.451 3.114 50 0 EGAAHN COc1ccccc1C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 ZINC000065365640 454554274 /nfs/dbraw/zinc/55/42/74/454554274.db2.gz IUGZJHIABMLWOR-UHFFFAOYSA-N 0 3 340.423 3.421 50 0 EGAAHN COCC(=O)N1CCCN(Cc2ccccc2-c2ccccc2)CC1 ZINC000065429179 454567420 /nfs/dbraw/zinc/56/74/20/454567420.db2.gz PTEBOSGXGUBFSV-UHFFFAOYSA-N 0 3 338.451 3.034 50 0 EGAAHN c1nc(CN2CCCC2)sc1-c1nnc(CCc2ccccc2)[nH]1 ZINC000065429616 454567466 /nfs/dbraw/zinc/56/74/66/454567466.db2.gz LCQNOEJSBWFKEL-UHFFFAOYSA-N 0 3 339.468 3.309 50 0 EGAAHN c1nc(C[NH+]2CCCC2)sc1-c1nnc(CCc2ccccc2)[n-]1 ZINC000065429616 454567467 /nfs/dbraw/zinc/56/74/67/454567467.db2.gz LCQNOEJSBWFKEL-UHFFFAOYSA-N 0 3 339.468 3.309 50 0 EGAAHN Cc1cc(C)n(CC2(CNCC(=O)Nc3cccc(C)c3C)CC2)n1 ZINC000065436010 454567520 /nfs/dbraw/zinc/56/75/20/454567520.db2.gz DATUTJAGYGIQBV-UHFFFAOYSA-N 0 3 340.471 3.125 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1334630026 /nfs/dbraw/zinc/63/00/26/1334630026.db2.gz DWDLEWLHYXDGMZ-INIZCTEOSA-N 0 3 346.906 3.269 50 0 EGAAHN O=C(CCN1CCCCCC1=O)Nc1ccccc1CN1CCCC1 ZINC000952988508 1334631190 /nfs/dbraw/zinc/63/11/90/1334631190.db2.gz QDBSPCMIIYIMRY-UHFFFAOYSA-N 0 3 343.471 3.014 50 0 EGAAHN CO[C@H]1CN(CCOc2cccc(C)c2C)C[C@H]1Cc1cc(C)no1 ZINC001704342206 1416449452 /nfs/dbraw/zinc/44/94/52/1416449452.db2.gz KOVVDYJARYVUIJ-XLIONFOSSA-N 0 3 344.455 3.168 50 0 EGAAHN CN(C)CCN(Cc1ccsc1)Cc1cccn1-c1ccccn1 ZINC000055152926 282097864 /nfs/dbraw/zinc/09/78/64/282097864.db2.gz RNCLZYFCJIKQHS-UHFFFAOYSA-N 0 3 340.496 3.498 50 0 EGAAHN c1cc(CN2CCO[C@H](c3cccnc3)C2)sc1CN1CCCC1 ZINC000097675393 219047062 /nfs/dbraw/zinc/04/70/62/219047062.db2.gz JFXLLRXPJQWDHY-IBGZPJMESA-N 0 3 343.496 3.312 50 0 EGAAHN CC[C@@H](C)Oc1ccc(CNCCN2CCC(O)CC2)cc1Cl ZINC000055042603 214266381 /nfs/dbraw/zinc/26/63/81/214266381.db2.gz KKVFBSCKQIAXDJ-CQSZACIVSA-N 0 3 340.895 3.064 50 0 EGAAHN CCOC(=O)c1c2c(sc1NC(=O)CNC(C)C)CCCCC2 ZINC000003684111 210073350 /nfs/dbraw/zinc/07/33/50/210073350.db2.gz IELBRIFXKKKFKD-UHFFFAOYSA-N 0 3 338.473 3.130 50 0 EGAAHN CCOc1ccc2oc(C)c(C(=O)NC[C@H]3CCCN(C)C3)c2c1 ZINC000067674371 215178774 /nfs/dbraw/zinc/17/87/74/215178774.db2.gz UTUHXHAGGLCJFF-CQSZACIVSA-N 0 3 330.428 3.212 50 0 EGAAHN CC(=O)NC[C@@H]1CCCN(C/C(C)=C/c2cc(Cl)ccc2O)C1 ZINC000067692139 215187054 /nfs/dbraw/zinc/18/70/54/215187054.db2.gz UQKIELUHHFEOCQ-NRUITVPNSA-N 0 3 336.863 3.297 50 0 EGAAHN CC(C)=CC(=O)NC[C@@H]1CCCN(Cc2cc3ccccc3[nH]2)C1 ZINC000067850889 215231720 /nfs/dbraw/zinc/23/17/20/215231720.db2.gz RMDQKVARAGPGST-INIZCTEOSA-N 0 3 325.456 3.462 50 0 EGAAHN CC(C)N1CCN(Cc2ccccc2OC2CCCC2)C[C@H]1CCO ZINC000104372421 219379829 /nfs/dbraw/zinc/37/98/29/219379829.db2.gz XFPKLITVRMKDLQ-LJQANCHMSA-N 0 3 346.515 3.285 50 0 EGAAHN COCc1ncc(CN2CCCC[C@@H]2CCc2cccc(O)c2)cn1 ZINC000072151865 216039979 /nfs/dbraw/zinc/03/99/79/216039979.db2.gz PAUTXJOGXAOXGR-GOSISDBHSA-N 0 3 341.455 3.316 50 0 EGAAHN COc1ccccc1[C@H]1CN(Cc2cccnc2)[C@H]2[C@@H]1N1CCC2CC1 ZINC000072154617 216043268 /nfs/dbraw/zinc/04/32/68/216043268.db2.gz JYVXBIUNSQVBAR-CEMLEFRQSA-N 0 3 349.478 3.152 50 0 EGAAHN Cc1nc([C@@H]2CCC[N@H+](Cc3ccnc4ccccc34)C2)cc(=O)[n-]1 ZINC000072155003 216044172 /nfs/dbraw/zinc/04/41/72/216044172.db2.gz IBODSAFBHXBEPX-MRXNPFEDSA-N 0 3 334.423 3.006 50 0 EGAAHN Cc1nc([C@@H]2CCC[N@@H+](Cc3ccnc4ccccc34)C2)cc(=O)[n-]1 ZINC000072155003 216044174 /nfs/dbraw/zinc/04/41/74/216044174.db2.gz IBODSAFBHXBEPX-MRXNPFEDSA-N 0 3 334.423 3.006 50 0 EGAAHN Cc1cnn(CCCN2CCC[C@@H](C(=O)Cc3ccccc3)C2)c1 ZINC000072159374 216049223 /nfs/dbraw/zinc/04/92/23/216049223.db2.gz KKKSHLXBWFLKGF-LJQANCHMSA-N 0 3 325.456 3.105 50 0 EGAAHN CCCn1ccnc1[C@@H]1c2nc[nH]c2CCN1Cc1cc(C)c(C)o1 ZINC000072428550 216218933 /nfs/dbraw/zinc/21/89/33/216218933.db2.gz PIAWNPKXDVACNI-SFHVURJKSA-N 0 3 339.443 3.374 50 0 EGAAHN CC(C)(O)CCc1ccc(CN2CCN(c3ccncc3)CC2)cc1 ZINC000072473455 216250274 /nfs/dbraw/zinc/25/02/74/216250274.db2.gz RDYFAXLYLPHMKM-UHFFFAOYSA-N 0 3 339.483 3.107 50 0 EGAAHN CC(C)Oc1cccc(-n2ccnc2-c2cc3n(n2)CCCNC3)c1 ZINC000072468935 216248950 /nfs/dbraw/zinc/24/89/50/216248950.db2.gz TWELDJFLEFSNCV-UHFFFAOYSA-N 0 3 337.427 3.016 50 0 EGAAHN O=c1cc(C(F)F)nc(-c2cccc(CN3CCCOCC3)c2)[nH]1 ZINC000023379526 212371840 /nfs/dbraw/zinc/37/18/40/212371840.db2.gz QWTUZAASESNGLB-UHFFFAOYSA-N 0 3 335.354 3.009 50 0 EGAAHN CC(C)Cc1ccc(CN2CCC[C@H](NCc3cnn(C)c3)C2)cc1 ZINC000023374773 212373237 /nfs/dbraw/zinc/37/32/37/212373237.db2.gz VRUGYCOJJYOQFJ-NRFANRHFSA-N 0 3 340.515 3.373 50 0 EGAAHN CN(C)c1ncc(CN2CCC[C@@H](N(C)Cc3ccccc3)C2)s1 ZINC000023358232 212370176 /nfs/dbraw/zinc/37/01/76/212370176.db2.gz VPLMNHKFPMRUJL-QGZVFWFLSA-N 0 3 344.528 3.306 50 0 EGAAHN CCc1ncc(CN2CCC[C@H](c3nc4ccccc4n3C)C2)cn1 ZINC000215262538 241113811 /nfs/dbraw/zinc/11/38/11/241113811.db2.gz VVAGNAZDGUXNDV-INIZCTEOSA-N 0 3 335.455 3.305 50 0 EGAAHN OC[C@]1(O)CCN(Cc2ccc(-c3cccc(Cl)c3Cl)o2)C1 ZINC000215706033 241140377 /nfs/dbraw/zinc/14/03/77/241140377.db2.gz CPZLQSFJJCIUIY-INIZCTEOSA-N 0 3 342.222 3.183 50 0 EGAAHN CCc1nccc(CN2CCC[C@@H](c3nc(-c4ccccc4)no3)C2)n1 ZINC000216301949 241180372 /nfs/dbraw/zinc/18/03/72/241180372.db2.gz YQKYAYPYQUTNMZ-MRXNPFEDSA-N 0 3 349.438 3.469 50 0 EGAAHN O=C(CNC1CC1)N(Cc1cccnc1)[C@@H]1CCCc2ccccc21 ZINC000215403538 241123092 /nfs/dbraw/zinc/12/30/92/241123092.db2.gz RZDFAQJSWVHZEO-HXUWFJFHSA-N 0 3 335.451 3.240 50 0 EGAAHN CSc1ccc(CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000022023265 212271518 /nfs/dbraw/zinc/27/15/18/212271518.db2.gz OCEHNWSDBTZKPF-CVEARBPZSA-N 0 3 326.465 3.190 50 0 EGAAHN Fc1cccc([C@]2(CN3CCN(CC4CCCC4)CC3)CCOC2)c1 ZINC000020996974 212196662 /nfs/dbraw/zinc/19/66/62/212196662.db2.gz VTFXVCLXRJEGHR-NRFANRHFSA-N 0 3 346.490 3.292 50 0 EGAAHN O=C(Cc1ccccn1)NC[C@H](c1ccccc1)N1CCCCCC1 ZINC000244764155 243076696 /nfs/dbraw/zinc/07/66/96/243076696.db2.gz PCGYYEDLNBWGSG-HXUWFJFHSA-N 0 3 337.467 3.358 50 0 EGAAHN CC(C)C[C@@H]1COCCN1CCC(=O)NCc1cccc(Cl)c1 ZINC000244723589 243069993 /nfs/dbraw/zinc/06/99/93/243069993.db2.gz MEDXVSVWHBZIDQ-QGZVFWFLSA-N 0 3 338.879 3.093 50 0 EGAAHN OCC[C@@H]1CN(Cc2cccc3cnccc32)CCN1C1CCCC1 ZINC000020540716 212145374 /nfs/dbraw/zinc/14/53/74/212145374.db2.gz SPDYTIXLAOAVRK-HXUWFJFHSA-N 0 3 339.483 3.046 50 0 EGAAHN COc1cccc2c1OC[C@@H](NCc1ccccc1OC(F)F)C2 ZINC000019773771 212064392 /nfs/dbraw/zinc/06/43/92/212064392.db2.gz JWFDDMFMHJEGDK-AWEZNQCLSA-N 0 3 335.350 3.390 50 0 EGAAHN C/C=C(\C)CN[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000011879897 211264207 /nfs/dbraw/zinc/26/42/07/211264207.db2.gz KBBGUJCRKSHFIZ-RRIZPTRRSA-N 0 3 326.362 3.362 50 0 EGAAHN CSCCC(=O)N(CCc1ccccc1)C[C@H]1CCCN(C)C1 ZINC000011874951 211263620 /nfs/dbraw/zinc/26/36/20/211263620.db2.gz WNTFEVVCMGVUFK-SFHVURJKSA-N 0 3 334.529 3.153 50 0 EGAAHN Cc1cccc(-n2cc(CN(C)CCO)c(-c3cccc(F)c3)n2)c1 ZINC000011838875 211253609 /nfs/dbraw/zinc/25/36/09/211253609.db2.gz XSGWUSAUEXMQTK-UHFFFAOYSA-N 0 3 339.414 3.411 50 0 EGAAHN C[C@@H]1CN(Cc2cnn(-c3ccccc3F)c2)CC[C@@]1(O)C1CCC1 ZINC000091663086 218042448 /nfs/dbraw/zinc/04/24/48/218042448.db2.gz GVOIYHYEOWHKSD-QRWLVFNGSA-N 0 3 343.446 3.384 50 0 EGAAHN CC(C)(C)c1ccc(C(=O)[C@H]2CCCN(C(=O)C(C)(C)N)C2)cc1 ZINC000091677328 218046103 /nfs/dbraw/zinc/04/61/03/218046103.db2.gz AQCXAOJKEVLCLE-HNNXBMFYSA-N 0 3 330.472 3.143 50 0 EGAAHN Fc1ccc(N[C@@H]2CCCN(Cc3cccc4nonc43)C2)cc1 ZINC000011661690 211229939 /nfs/dbraw/zinc/22/99/39/211229939.db2.gz XYZLMMBZBWWGAG-MRXNPFEDSA-N 0 3 326.375 3.438 50 0 EGAAHN CC[C@H]1CCCCN1CCCNS(=O)(=O)c1ccc(Cl)cc1 ZINC000010544205 211179788 /nfs/dbraw/zinc/17/97/88/211179788.db2.gz RHADBQQNRGQFSO-HNNXBMFYSA-N 0 3 344.908 3.273 50 0 EGAAHN COc1ccccc1C1CCN(C(=O)[C@H]2CCCCCN2C)CC1 ZINC000095356151 218289911 /nfs/dbraw/zinc/28/99/11/218289911.db2.gz PRHWBULPRVEFMN-GOSISDBHSA-N 0 3 330.472 3.276 50 0 EGAAHN CCCn1ccnc1CN1C[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2 ZINC000095392010 218323746 /nfs/dbraw/zinc/32/37/46/218323746.db2.gz QSOFOPFASJUDCF-VQTJNVASSA-N 0 3 338.499 3.390 50 0 EGAAHN CCN(c1ncnc2sc3c(c21)CCNC3)[C@H]1CCOC(C)(C)C1 ZINC000065397359 285147868 /nfs/dbraw/zinc/14/78/68/285147868.db2.gz KPJKQFZZXYBNNQ-LBPRGKRZSA-N 0 3 346.500 3.121 50 0 EGAAHN Cc1ccc(NC(=O)NC2CCN(C[C@@H]3CCCO3)CC2)cc1C ZINC000299791360 258096949 /nfs/dbraw/zinc/09/69/49/258096949.db2.gz DJZNJVCUBJXYJW-SFHVURJKSA-N 0 3 331.460 3.068 50 0 EGAAHN C[C@@H](CN1C(=O)CC[C@@H]1CCNCc1ccccn1)c1ccccc1 ZINC000299756084 258074326 /nfs/dbraw/zinc/07/43/26/258074326.db2.gz COCSWJMAFKHGAU-FXAWDEMLSA-N 0 3 337.467 3.356 50 0 EGAAHN COc1ccc([C@@H]2CN(c3ncncc3C(C)C)C[C@H]2N(C)C)cc1 ZINC000091651337 277928390 /nfs/dbraw/zinc/92/83/90/277928390.db2.gz JGJFNAOJBFMUAY-RBUKOAKNSA-N 0 3 340.471 3.143 50 0 EGAAHN O=C(NCc1c(F)cccc1Cl)N1CC[C@H](N2CCCCC2)C1 ZINC000264552955 455235937 /nfs/dbraw/zinc/23/59/37/455235937.db2.gz DCEKAMSCELDEJF-ZDUSSCGKSA-N 0 3 339.842 3.249 50 0 EGAAHN COc1cccc(C(=O)N2CCN([C@@H]3CCC[C@H](C)C3)CC2)c1OC ZINC000000239659 452543202 /nfs/dbraw/zinc/54/32/02/452543202.db2.gz MRYKBYYRAIPCLI-JKSUJKDBSA-N 0 3 346.471 3.040 50 0 EGAAHN CCOc1cc(CN2CCC(C(=O)NCCC(C)C)CC2)ccc1O ZINC000000299631 452556748 /nfs/dbraw/zinc/55/67/48/452556748.db2.gz RAHYWQGEPMAUDQ-UHFFFAOYSA-N 0 3 348.487 3.165 50 0 EGAAHN CN(C)[C@H](CN1C(=O)c2ccccc2C1=O)c1cn(C)c2ccccc12 ZINC000000494136 452608080 /nfs/dbraw/zinc/60/80/80/452608080.db2.gz QWQXNGCWPCTILQ-LJQANCHMSA-N 0 3 347.418 3.077 50 0 EGAAHN COC(=O)c1[nH]c2ccccc2c1NC(=O)CN(C)C1CCCCC1 ZINC000000522387 452612871 /nfs/dbraw/zinc/61/28/71/452612871.db2.gz XYWLHQVSNXLWKF-UHFFFAOYSA-N 0 3 343.427 3.158 50 0 EGAAHN COc1ccc(C(=O)N2CCN([C@H]3CCC[C@@H](C)C3)CC2)cc1OC ZINC000002920193 452735287 /nfs/dbraw/zinc/73/52/87/452735287.db2.gz XQRUAQPJPDZNAL-WBVHZDCISA-N 0 3 346.471 3.040 50 0 EGAAHN CN1CCCN(C(=O)CCCOc2ccc(Cl)cc2Cl)CC1 ZINC000006725815 452977961 /nfs/dbraw/zinc/97/79/61/452977961.db2.gz JLPTWZUTEYJCRB-UHFFFAOYSA-N 0 3 345.270 3.317 50 0 EGAAHN C/C=C/c1ccc(OCCN2CCC[C@H](C(=O)OCC)C2)c(OC)c1 ZINC000006727647 452978277 /nfs/dbraw/zinc/97/82/77/452978277.db2.gz XPVNXSSVKLVVCF-PFWMLDTASA-N 0 3 347.455 3.382 50 0 EGAAHN CN(CC(=O)Nc1ccc(Br)cn1)C1CCCCC1 ZINC000013323126 453457208 /nfs/dbraw/zinc/45/72/08/453457208.db2.gz JZJDJECOWFSHOU-UHFFFAOYSA-N 0 3 326.238 3.047 50 0 EGAAHN Cc1cc(C)c(C(=O)N[C@@H]2CCCN(CCc3ccccc3)C2)o1 ZINC000014967288 453549539 /nfs/dbraw/zinc/54/95/39/453549539.db2.gz OHVWRNRDKKHIDJ-GOSISDBHSA-N 0 3 326.440 3.333 50 0 EGAAHN Cc1onc(-c2ccccc2Cl)c1C(=O)NC1CCN(C)CC1 ZINC000016580726 453613367 /nfs/dbraw/zinc/61/33/67/453613367.db2.gz YKHAPWFJERUIPF-UHFFFAOYSA-N 0 3 333.819 3.127 50 0 EGAAHN C/C=C(\C)CN1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000020536243 453665866 /nfs/dbraw/zinc/66/58/66/453665866.db2.gz LAPBFFNKCXHAGV-ZPRVWAONSA-N 0 3 331.479 3.378 50 0 EGAAHN CN1CC2(CCN(Cc3cccc(OC(F)(F)F)c3)CC2)OC1=O ZINC000077437381 454106193 /nfs/dbraw/zinc/10/61/93/454106193.db2.gz QMXUHIBJNZHYNM-UHFFFAOYSA-N 0 3 344.333 3.002 50 0 EGAAHN Cc1csc(CCNC(=O)C2CCN(Cc3ccccc3)CC2)n1 ZINC000057154991 454107230 /nfs/dbraw/zinc/10/72/30/454107230.db2.gz AKQRJJHRSOIFFG-UHFFFAOYSA-N 0 3 343.496 3.022 50 0 EGAAHN CN1CCC(Cc2nc([C@@H]3CCOC3)n(C3CCCCC3)n2)CC1 ZINC000095525482 454228001 /nfs/dbraw/zinc/22/80/01/454228001.db2.gz OHFIKBOHDIQEEC-MRXNPFEDSA-N 0 3 332.492 3.172 50 0 EGAAHN COc1c(C)cnc(CN2CCCC[C@H]2CCN2CCCC2=O)c1C ZINC000072156582 454272919 /nfs/dbraw/zinc/27/29/19/454272919.db2.gz IELRRRFHEJYPQW-KRWDZBQOSA-N 0 3 345.487 3.074 50 0 EGAAHN C[C@]1(O)CCN(Cc2ccc(-c3ccc(Cl)cc3)cc2)C[C@@H]1O ZINC000096166758 454296757 /nfs/dbraw/zinc/29/67/57/454296757.db2.gz HFJKZOLEEOUWKK-OALUTQOASA-N 0 3 331.843 3.325 50 0 EGAAHN CN(C)C[C@H]1CSCCCN1C(=O)c1cccc2ccccc21 ZINC000090699903 454336287 /nfs/dbraw/zinc/33/62/87/454336287.db2.gz QUAMLUSFJIDSFI-INIZCTEOSA-N 0 3 328.481 3.349 50 0 EGAAHN O=C(NCc1ccccc1F)C1CCN(Cc2ccccc2)CC1 ZINC000047303051 454355220 /nfs/dbraw/zinc/35/52/20/454355220.db2.gz MQAHKSLGDGYNKG-UHFFFAOYSA-N 0 3 326.415 3.354 50 0 EGAAHN Cc1ccc(C)c(CN2C[C@H]3CC[C@@H]2CN(C(=O)c2cccnc2)C3)c1 ZINC000091325934 454427270 /nfs/dbraw/zinc/42/72/70/454427270.db2.gz AMNZDMCYGZTLQI-WIYYLYMNSA-N 0 3 349.478 3.435 50 0 EGAAHN CCn1ccnc1[C@H]1CCCN(CCC(=O)NC2CCCCCC2)C1 ZINC000092022524 454505532 /nfs/dbraw/zinc/50/55/32/454505532.db2.gz SITFRXFZFWXIBF-KRWDZBQOSA-N 0 3 346.519 3.312 50 0 EGAAHN COc1cccc(C(=O)NCC2=CCN([C@H]3C=CCCC3)CC2)c1 ZINC000065410719 454563201 /nfs/dbraw/zinc/56/32/01/454563201.db2.gz MIILZKKBXJDJQP-SFHVURJKSA-N 0 3 326.440 3.166 50 0 EGAAHN Cc1cccc(C(C)C)c1NC(=O)CN[C@@H](C)Cc1cnccn1 ZINC000065434375 454567557 /nfs/dbraw/zinc/56/75/57/454567557.db2.gz AZLPZLJQVLNDDX-HNNXBMFYSA-N 0 3 326.444 3.068 50 0 EGAAHN Cc1ccc(NC(=O)[C@@H](C)NCc2ccccc2-n2cccn2)cc1 ZINC000065531518 454585437 /nfs/dbraw/zinc/58/54/37/454585437.db2.gz BGMLXTYVIKEIGM-MRXNPFEDSA-N 0 3 334.423 3.298 50 0 EGAAHN Cc1nnc(CN2CCCN(Cc3ccc(F)cc3)[C@@H](C(C)C)C2)o1 ZINC000107019744 454736795 /nfs/dbraw/zinc/73/67/95/454736795.db2.gz 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50 0 EGAAHN Cc1ccc(OCCCN(C)C(=O)N[C@@H](C)CN2CCCC2)c(C)c1 ZINC000534635611 459340490 /nfs/dbraw/zinc/34/04/90/459340490.db2.gz DRNVVEWCSDBZKS-SFHVURJKSA-N 0 3 347.503 3.198 50 0 EGAAHN COc1ccccc1CN(C(=O)NC[C@@H](C)N(C)C)C1CCCC1 ZINC000534655125 459342606 /nfs/dbraw/zinc/34/26/06/459342606.db2.gz MWLPIPXMCDQVNB-OAHLLOKOSA-N 0 3 333.476 3.100 50 0 EGAAHN CCNCc1cc(C[C@@H]2CC(=O)N(c3ccccc3)C2)ccc1OC ZINC000244787925 535478324 /nfs/dbraw/zinc/47/83/24/535478324.db2.gz QGIXQCCFEFTPAP-QGZVFWFLSA-N 0 3 338.451 3.400 50 0 EGAAHN Cc1cccc(CN(C(=O)CC[C@H](C)N2CCN(C)CC2)C(C)C)c1 ZINC000055244515 546558537 /nfs/dbraw/zinc/55/85/37/546558537.db2.gz WXHGEXXGIUMNRI-IBGZPJMESA-N 0 3 345.531 3.148 50 0 EGAAHN COc1ccc(-c2ccc3c(c2)OC[C@@H](N2CCCC2)[C@@H]3O)cc1 ZINC000212283026 547238415 /nfs/dbraw/zinc/23/84/15/547238415.db2.gz FMPCCLOENLRSTO-UYAOXDASSA-N 0 3 325.408 3.252 50 0 EGAAHN Cc1nnc([C@H]2OCC[C@H]2C[NH2+]Cc2oc3ccccc3c2Cl)[n-]1 ZINC000685940771 550456330 /nfs/dbraw/zinc/45/63/30/550456330.db2.gz UKUNFRHROUHSGL-ZBEGNZNMSA-N 0 3 346.818 3.380 50 0 EGAAHN C/C(=C\c1ccccc1)CN1CCc2nnc([C@H]3CCCO3)n2CC1 ZINC000019223904 1291191822 /nfs/dbraw/zinc/19/18/22/1291191822.db2.gz MBDIMPDJUNKOEU-QRURKXGXSA-N 0 3 338.455 3.091 50 0 EGAAHN Cc1cccc(NC(=O)CN(C)CCc2nc3ccc(F)cc3[nH]2)c1 ZINC001704349437 1416452085 /nfs/dbraw/zinc/45/20/85/1416452085.db2.gz HGIJKOMYMKTOEE-UHFFFAOYSA-N 0 3 340.402 3.123 50 0 EGAAHN CNCc1nnc(NC[C@H](c2ccc(Cl)cc2)N2CCCCC2)o1 ZINC001772708749 1441417177 /nfs/dbraw/zinc/41/71/77/1441417177.db2.gz JIMVRDMARNNMKW-OAHLLOKOSA-N 0 3 349.866 3.082 50 0 EGAAHN Cc1cccc(N2CCN(C[C@H]3CCC(=O)N(C(C)C)C3)CC2)c1C ZINC001772812908 1441417536 /nfs/dbraw/zinc/41/75/36/1441417536.db2.gz RVYSIVRZPCUFSD-LJQANCHMSA-N 0 3 343.515 3.072 50 0 EGAAHN CC(C)C(=O)N1CCC(OCC2=CCCN([C@H]3C=CCCC3)C2)CC1 ZINC000067473510 215152067 /nfs/dbraw/zinc/15/20/67/215152067.db2.gz QKGVGQIPMNMBAP-IBGZPJMESA-N 0 3 346.515 3.391 50 0 EGAAHN C[C@@H]1CN(C[C@H](O)Cn2c3ccccc3c3ccccc32)C[C@@H](C)O1 ZINC000019893775 202025337 /nfs/dbraw/zinc/02/53/37/202025337.db2.gz BTEPOPVDLPKRBZ-ZACQAIPSSA-N 0 3 338.451 3.265 50 0 EGAAHN O=C(COc1ccc(Cl)cc1)N1CCN(C[C@@H]2CC=CCC2)CC1 ZINC000019889226 202025411 /nfs/dbraw/zinc/02/54/11/202025411.db2.gz KGXFBIZRNALOQA-MRXNPFEDSA-N 0 3 348.874 3.219 50 0 EGAAHN Cc1ccc(CN2CCN(Cc3cccc(C)c3)C[C@@H]2CCO)cc1 ZINC000020912310 202058081 /nfs/dbraw/zinc/05/80/81/202058081.db2.gz XTAUIOUSXVEFAY-QFIPXVFZSA-N 0 3 338.495 3.372 50 0 EGAAHN Cc1ccc(-c2cc(C(=O)NC[C@@H](C)N3CCCCC3)no2)cc1 ZINC000032594184 202229114 /nfs/dbraw/zinc/22/91/14/202229114.db2.gz QUYWGUDINDUMPH-OAHLLOKOSA-N 0 3 327.428 3.254 50 0 EGAAHN Cc1nnc2n1C[C@H](NCc1cccc(Oc3ccccc3)c1)CC2 ZINC000097199348 201382632 /nfs/dbraw/zinc/38/26/32/201382632.db2.gz RLZINSPFKVNQOM-QGZVFWFLSA-N 0 3 334.423 3.483 50 0 EGAAHN Cc1ccc(Oc2ccc(CN3CC[C@](O)(CO)C3)cc2)cc1C ZINC000215220127 241114443 /nfs/dbraw/zinc/11/44/43/241114443.db2.gz LIGLBJLQMZGGLF-HXUWFJFHSA-N 0 3 327.424 3.025 50 0 EGAAHN COc1ccc(CN2CC[C@@H](c3cccc(OC)c3OC)C2)cn1 ZINC000216230355 241174750 /nfs/dbraw/zinc/17/47/50/241174750.db2.gz AHVCJSOWFPAWBV-OAHLLOKOSA-N 0 3 328.412 3.097 50 0 EGAAHN CN(C)Cn1cc(CCC(=O)N2CCCCCC2)c2ccccc21 ZINC000020649628 212160255 /nfs/dbraw/zinc/16/02/55/212160255.db2.gz ALFCGSKZAXFRBY-UHFFFAOYSA-N 0 3 327.472 3.496 50 0 EGAAHN Nc1nc(Cn2ccnc2-c2cc(CN3CCCC3)cs2)cs1 ZINC000071760128 203109128 /nfs/dbraw/zinc/10/91/28/203109128.db2.gz BGOLFYQLJMBKSP-UHFFFAOYSA-N 0 3 345.497 3.294 50 0 EGAAHN c1csc(CN2CCCN(Cc3nc4ccccc4[nH]3)CC2)c1 ZINC000072121888 203163930 /nfs/dbraw/zinc/16/39/30/203163930.db2.gz NMMIUZVYRJRXMH-UHFFFAOYSA-N 0 3 326.469 3.332 50 0 EGAAHN CC(=O)c1ccc(N2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)nc1 ZINC000072153654 203174652 /nfs/dbraw/zinc/17/46/52/203174652.db2.gz CPCDLNVSCBVELK-CEMLEFRQSA-N 0 3 347.462 3.351 50 0 EGAAHN CC[C@@H](C)N1CCN(Cc2ccc(OC)c(Br)c2)CC1 ZINC000019889696 212079357 /nfs/dbraw/zinc/07/93/57/212079357.db2.gz FTQIGRAYHZTTOY-CYBMUJFWSA-N 0 3 341.293 3.374 50 0 EGAAHN CCOC(=O)C[C@@H]1CCCCN1Cc1ccc(-n2ccnc2)cc1 ZINC000077319833 203379970 /nfs/dbraw/zinc/37/99/70/203379970.db2.gz GBEKCHPROBFHLM-SFHVURJKSA-N 0 3 327.428 3.180 50 0 EGAAHN COc1ccc(OC)c([C@H]2CCN(Cc3cccc4nonc43)C2)c1 ZINC000077388525 203384616 /nfs/dbraw/zinc/38/46/16/203384616.db2.gz NPDIOKSMPYSCKV-ZDUSSCGKSA-N 0 3 339.395 3.230 50 0 EGAAHN CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)CCn2cccn2)cc1 ZINC000077470710 203390454 /nfs/dbraw/zinc/39/04/54/203390454.db2.gz HOKBALAZQPJBKK-IBGZPJMESA-N 0 3 340.471 3.089 50 0 EGAAHN CN(C)CCn1ccnc1[C@@H]1CCCN(c2nccc3ccccc32)C1 ZINC000095374594 218308250 /nfs/dbraw/zinc/30/82/50/218308250.db2.gz QDCQGXVDEXDPAF-GOSISDBHSA-N 0 3 349.482 3.377 50 0 EGAAHN CCc1cccc(C)c1NC(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000299773623 258085322 /nfs/dbraw/zinc/08/53/22/258085322.db2.gz DUZVXQJSQJVZIY-SFHVURJKSA-N 0 3 345.487 3.322 50 0 EGAAHN Cn1ncc(Cl)c1C(=O)NC[C@H](c1ccccc1)N1CCCCC1 ZINC000299776320 258086437 /nfs/dbraw/zinc/08/64/37/258086437.db2.gz AMUGRHDSBDYHEA-MRXNPFEDSA-N 0 3 346.862 3.031 50 0 EGAAHN COCCN[C@@H]1CCOc2ccc(-c3cccc(NC(C)=O)c3)cc21 ZINC000299803877 258105928 /nfs/dbraw/zinc/10/59/28/258105928.db2.gz IXQBBLDVEUFBQY-LJQANCHMSA-N 0 3 340.423 3.372 50 0 EGAAHN CC12CN3CC(C)(CN(C1)C31CCN(Cc3ccccc3)CC1)C2 ZINC000019331574 276173491 /nfs/dbraw/zinc/17/34/91/276173491.db2.gz MAZURRJXODDPDG-UHFFFAOYSA-N 0 3 325.500 3.026 50 0 biogenic EGAAHN CN1CCC2(CC1)N=C(c1ccc(Br)cc1)C(=S)N2 ZINC000067172586 277036072 /nfs/dbraw/zinc/03/60/72/277036072.db2.gz KIQVZNNTGNQCPX-UHFFFAOYSA-N 0 3 338.274 3.002 50 0 EGAAHN COc1ccc(CN(C)CCn2cc(Cl)cn2)c2cccnc12 ZINC000240128346 295125094 /nfs/dbraw/zinc/12/50/94/295125094.db2.gz IQCMZMVSUHCSON-UHFFFAOYSA-N 0 3 330.819 3.225 50 0 EGAAHN COc1ccc(CNCCc2ccc3c(c2)OCO3)c(OC)c1C ZINC000002738292 452718113 /nfs/dbraw/zinc/71/81/13/452718113.db2.gz BOIWOJFBWSNQQH-UHFFFAOYSA-N 0 3 329.396 3.073 50 0 EGAAHN COc1ccc(-n2c(C)c(C)c3c2ncnc3NCCN(C)C)cc1 ZINC000005268640 452852923 /nfs/dbraw/zinc/85/29/23/452852923.db2.gz ONOBGUDCWUSPMO-UHFFFAOYSA-N 0 3 339.443 3.019 50 0 EGAAHN Cc1ccc(CN2CCC[C@H](CNC(=O)c3ccc(F)cc3)C2)o1 ZINC000012004042 453340508 /nfs/dbraw/zinc/34/05/08/453340508.db2.gz DMJFDHCVJRCRLC-OAHLLOKOSA-N 0 3 330.403 3.369 50 0 EGAAHN COCCC(=O)N[C@H]1CCCN(Cc2ccc(CC(C)C)cc2)C1 ZINC000011950713 453341329 /nfs/dbraw/zinc/34/13/29/453341329.db2.gz PIQZRJUCAJBEEC-IBGZPJMESA-N 0 3 332.488 3.002 50 0 EGAAHN CCCn1cc(CN2CCC(CCC(=O)N3CCCC3)CC2)c(C)n1 ZINC000012192907 453349739 /nfs/dbraw/zinc/34/97/39/453349739.db2.gz HBDALMFPSWPOBC-UHFFFAOYSA-N 0 3 346.519 3.216 50 0 EGAAHN Cc1c(C(=O)N[C@H](C)CN2CCCCC2)cnn1-c1ccccc1C ZINC000027767660 453820362 /nfs/dbraw/zinc/82/03/62/453820362.db2.gz RFITYDXITOOAKE-MRXNPFEDSA-N 0 3 340.471 3.093 50 0 EGAAHN Cc1ccc(-c2cc3c(N4CCCN(C)CC4)nccn3n2)c(C)c1 ZINC000067285163 453918997 /nfs/dbraw/zinc/91/89/97/453918997.db2.gz UJTTYXLWHARLQC-UHFFFAOYSA-N 0 3 335.455 3.155 50 0 EGAAHN CN(C(=O)c1ccc2nc(-c3ccccc3)cn2c1)C1CCN(C)CC1 ZINC000082098239 453924139 /nfs/dbraw/zinc/92/41/39/453924139.db2.gz RIGSBLKTXBODFH-UHFFFAOYSA-N 0 3 348.450 3.168 50 0 EGAAHN Cn1ccnc1-c1ccc(Oc2ccc(CN3CCCC3)cc2)nn1 ZINC000067649824 453953258 /nfs/dbraw/zinc/95/32/58/453953258.db2.gz FVQHYYKCJORXAH-UHFFFAOYSA-N 0 3 335.411 3.265 50 0 EGAAHN COc1ccc(CN(C)CCOc2cc(C)cc(C)c2)cc1CO ZINC000055061125 453960087 /nfs/dbraw/zinc/96/00/87/453960087.db2.gz NHUGNXAVJYWNCQ-UHFFFAOYSA-N 0 3 329.440 3.315 50 0 EGAAHN Cc1cc(N2CCC(c3n[nH]cc3Cc3ccccc3)CC2)nc(N)n1 ZINC000067855296 453972961 /nfs/dbraw/zinc/97/29/61/453972961.db2.gz AAVQTFMTAMAQLR-UHFFFAOYSA-N 0 3 348.454 3.065 50 0 EGAAHN CC[C@H](CO)N(Cc1cccs1)Cc1ccc(NC(C)=O)cc1 ZINC000055341672 453977988 /nfs/dbraw/zinc/97/79/88/453977988.db2.gz OXQOQIKZDTVETN-QGZVFWFLSA-N 0 3 332.469 3.480 50 0 EGAAHN CC[C@H]1CN(Cc2cc3cc(C)ccc3[nH]c2=O)CCN1C(C)C ZINC000067919656 453980874 /nfs/dbraw/zinc/98/08/74/453980874.db2.gz TXKRXUBLQXOTMZ-SFHVURJKSA-N 0 3 327.472 3.141 50 0 EGAAHN CCCCn1ccnc1[C@H]1CCCN(C(=O)CN(C)C2CCCC2)C1 ZINC000095375361 454198797 /nfs/dbraw/zinc/19/87/97/454198797.db2.gz IOJJEDNWFSPMLS-KRWDZBQOSA-N 0 3 346.519 3.264 50 0 EGAAHN CSc1ccccc1C(=O)[C@H]1CCCN(c2cc(N)nc(C)n2)C1 ZINC000095389057 454200364 /nfs/dbraw/zinc/20/03/64/454200364.db2.gz QQSQPKXYTHQMCT-ZDUSSCGKSA-N 0 3 342.468 3.188 50 0 EGAAHN CN(C[C@H]1CCCN(CCc2ccc(F)cc2)C1)C(=O)c1cc[nH]c1 ZINC000095529942 454229541 /nfs/dbraw/zinc/22/95/41/454229541.db2.gz WAWPTRWUBSAZAV-QGZVFWFLSA-N 0 3 343.446 3.181 50 0 EGAAHN C[C@H](C(=O)N1CCCN(CCCc2ccccc2)CC1)n1cccc1 ZINC000131880120 454293753 /nfs/dbraw/zinc/29/37/53/454293753.db2.gz QAMNOKFKOISLDT-LJQANCHMSA-N 0 3 339.483 3.216 50 0 EGAAHN Cc1nccn1CC1CCN(Cc2nc3ccccc3nc2C)CC1 ZINC000097117210 454412485 /nfs/dbraw/zinc/41/24/85/454412485.db2.gz JPBPLZYXDSPHQX-UHFFFAOYSA-N 0 3 335.455 3.355 50 0 EGAAHN CCCCn1ccnc1C1CCN(Cc2[nH]cc(C)c(=O)c2C)CC1 ZINC000091468341 454438835 /nfs/dbraw/zinc/43/88/35/454438835.db2.gz BCUUMJTUURZEEH-UHFFFAOYSA-N 0 3 342.487 3.368 50 0 EGAAHN CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1CN(CCOCc1ccccc1)C2 ZINC000091643707 454454640 /nfs/dbraw/zinc/45/46/40/454454640.db2.gz ZSQTVCDOQBYUHA-VQTJNVASSA-N 0 3 342.483 3.092 50 0 EGAAHN Fc1ccc(CN2C[C@H]3CC[C@@H]2CN(Cc2ccccn2)C3)c(F)c1 ZINC000091831029 454478572 /nfs/dbraw/zinc/47/85/72/454478572.db2.gz PKKXSSJALXPEBI-HNAYVOBHSA-N 0 3 343.421 3.456 50 0 EGAAHN CCN(CC)Cc1cc(-c2nc(C)nn2-c2ccccn2)c(C)o1 ZINC000065372366 454555106 /nfs/dbraw/zinc/55/51/06/454555106.db2.gz WMAUROMYLXHLFE-UHFFFAOYSA-N 0 3 325.416 3.381 50 0 EGAAHN Cc1cccc(NC(=O)CN[C@H]2CCN(Cc3ccccc3)C2)c1C ZINC000065436031 454567497 /nfs/dbraw/zinc/56/74/97/454567497.db2.gz UKQLDMZHPLWLNJ-IBGZPJMESA-N 0 3 337.467 3.106 50 0 EGAAHN CCCn1ncnc1[C@@H](C)NC(=O)C1(N2CCCCC2)CCCCC1 ZINC000223696112 456059719 /nfs/dbraw/zinc/05/97/19/456059719.db2.gz YRFHLAPTAHNFRA-MRXNPFEDSA-N 0 3 347.507 3.054 50 0 EGAAHN O=C(Cc1ccc(F)cc1)N1CC[C@H](N2CCc3ccccc3C2)C1 ZINC000225684569 456103271 /nfs/dbraw/zinc/10/32/71/456103271.db2.gz 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CCOc1cccc(CNCCO)c1OCc1ccc(Cl)cc1 ZINC000002861178 452729854 /nfs/dbraw/zinc/72/98/54/452729854.db2.gz NPHHLLMZTJHMIV-UHFFFAOYSA-N 0 3 335.831 3.400 50 0 EGAAHN CCCOc1ccc(CSC2=NCCN2)cc1Br ZINC000005313464 452856576 /nfs/dbraw/zinc/85/65/76/452856576.db2.gz AFPCIHYKWYOVFR-UHFFFAOYSA-N 0 3 329.263 3.430 50 0 EGAAHN Clc1ccccc1CNCCSc1nnnn1-c1ccccc1 ZINC000006661163 452964945 /nfs/dbraw/zinc/96/49/45/452964945.db2.gz JNBZEPYUEAYKAE-UHFFFAOYSA-N 0 3 345.859 3.198 50 0 EGAAHN OCCNCc1ccc(-c2ccc(Br)cc2Cl)o1 ZINC000006746380 452982192 /nfs/dbraw/zinc/98/21/92/452982192.db2.gz GYKAMUMYGDTJMY-UHFFFAOYSA-N 0 3 330.609 3.444 50 0 EGAAHN COc1cc(OC)c2[nH]c(C)c(CN3CCC[C@@H](C)C3)c(=O)c2c1 ZINC000008717255 453225926 /nfs/dbraw/zinc/22/59/26/453225926.db2.gz IJKUODPAXURUOV-GFCCVEGCSA-N 0 3 330.428 3.498 50 0 EGAAHN COc1cc(OC)c2[n-]c(C)c(C[N@@H+]3CCC[C@@H](C)C3)c(=O)c2c1 ZINC000008717255 453225936 /nfs/dbraw/zinc/22/59/36/453225936.db2.gz IJKUODPAXURUOV-GFCCVEGCSA-N 0 3 330.428 3.498 50 0 EGAAHN 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/nfs/dbraw/zinc/94/38/40/453943840.db2.gz KVCIFETYQZWLNO-GOSISDBHSA-N 0 3 345.393 3.336 50 0 EGAAHN CC[C@@H](O)C1CCN(Cc2cc3ccc(Cl)cc3[nH]c2=O)CC1 ZINC000067650194 453953068 /nfs/dbraw/zinc/95/30/68/453953068.db2.gz DTLLZKZQCUBXNA-QGZVFWFLSA-N 0 3 334.847 3.164 50 0 EGAAHN O=C(NC[C@H]1CCN(Cc2ccco2)C1)c1nccc2ccccc21 ZINC000067691644 453957795 /nfs/dbraw/zinc/95/77/95/453957795.db2.gz WSNZHZRLZIOCNE-OAHLLOKOSA-N 0 3 335.407 3.080 50 0 EGAAHN CC(C)n1ccc(CN2CC[C@H](CNC(=O)c3cccc(O)c3)C2)c1 ZINC000067739455 453961488 /nfs/dbraw/zinc/96/14/88/453961488.db2.gz GZHQKOQDFCOHAF-MRXNPFEDSA-N 0 3 341.455 3.027 50 0 EGAAHN O=C(NC[C@@H]1CCN(Cc2ccncc2)C1)c1cc2ccccc2o1 ZINC000067756326 453963331 /nfs/dbraw/zinc/96/33/31/453963331.db2.gz KCVWUFJHJUMKTF-INIZCTEOSA-N 0 3 335.407 3.080 50 0 EGAAHN Cc1c2ccccc2oc1CN1CC[C@H](CNC(=O)NC(C)C)C1 ZINC000067758304 453963698 /nfs/dbraw/zinc/96/36/98/453963698.db2.gz AIAFUHQLSWKVJT-OAHLLOKOSA-N 0 3 329.444 3.271 50 0 EGAAHN Cc1ccc(NC(=O)NC[C@H]2CCN(Cc3cccc(O)c3)C2)cc1 ZINC000067805213 453967972 /nfs/dbraw/zinc/96/79/72/453967972.db2.gz YLPZUVRISYDCLX-QGZVFWFLSA-N 0 3 339.439 3.344 50 0 EGAAHN CC[C@H](C)N(Cc1ccsc1)Cc1ccccc1OCC(N)=O ZINC000055371418 453979523 /nfs/dbraw/zinc/97/95/23/453979523.db2.gz GJTRELFZWYNCRV-AWEZNQCLSA-N 0 3 332.469 3.413 50 0 EGAAHN Cc1c(NC(=O)C(C)(C)C)cccc1C(=O)NC[C@H]1CCCN(C)C1 ZINC000067954308 453983716 /nfs/dbraw/zinc/98/37/16/453983716.db2.gz FVCBBAPJFMQSRY-OAHLLOKOSA-N 0 3 345.487 3.051 50 0 EGAAHN O=C(CSC1CCCC1)N1CCCSC[C@H]1CN1CCCC1 ZINC000085473138 454030945 /nfs/dbraw/zinc/03/09/45/454030945.db2.gz XLBLQNYLRBTCFP-OAHLLOKOSA-N 0 3 342.574 3.092 50 0 EGAAHN CN[C@H](C(=O)N1CCC(c2nccn2C(C)C)CC1)c1ccccc1 ZINC000095500413 454222449 /nfs/dbraw/zinc/22/24/49/454222449.db2.gz NKLZOLRAOIMQNJ-SFHVURJKSA-N 0 3 340.471 3.131 50 0 EGAAHN O=C(NCCN1CCCC1)Nc1ccc(CCc2ccccn2)cc1 ZINC000095517029 454226580 /nfs/dbraw/zinc/22/65/80/454226580.db2.gz OBTYTRSTONFQFQ-UHFFFAOYSA-N 0 3 338.455 3.084 50 0 EGAAHN COc1ccc(CN2CCC[C@@]3(C2)C(=O)Nc2ccccc23)c(F)c1 ZINC000072166412 454273912 /nfs/dbraw/zinc/27/39/12/454273912.db2.gz LCXPFQIJDBSIQV-FQEVSTJZSA-N 0 3 340.398 3.320 50 0 EGAAHN CN(CCNc1nccc(-c2cccnc2)n1)CCc1ccccc1 ZINC000096165931 454296981 /nfs/dbraw/zinc/29/69/81/454296981.db2.gz UEPQMVMKWJXNHH-UHFFFAOYSA-N 0 3 333.439 3.125 50 0 EGAAHN Cc1ccccc1[C@H](CNC(=O)c1cnc(C2CC2)nc1C)N(C)C ZINC000097294779 454431833 /nfs/dbraw/zinc/43/18/33/454431833.db2.gz YCAMVFXVNKZGHA-SFHVURJKSA-N 0 3 338.455 3.004 50 0 EGAAHN COCCN1CCC(C(=O)N(C)[C@H](C)c2cc3ccccc3[nH]2)CC1 ZINC000097578971 454440054 /nfs/dbraw/zinc/44/00/54/454440054.db2.gz UKINIFFWEJFEMU-OAHLLOKOSA-N 0 3 343.471 3.046 50 0 EGAAHN Cc1nccn1CCN(C)Cc1cnc2c(-c3ccccc3)cnn2c1 ZINC000097717310 454445124 /nfs/dbraw/zinc/44/51/24/454445124.db2.gz UNWLLELDNXXLRV-UHFFFAOYSA-N 0 3 346.438 3.033 50 0 EGAAHN OCc1cccc(C[C@@H]2CCN(Cc3cnn(-c4ccccc4)c3)C2)c1 ZINC000091563245 454446199 /nfs/dbraw/zinc/44/61/99/454446199.db2.gz 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/nfs/dbraw/zinc/58/40/48/454584048.db2.gz LOSCDTRQVBWMKQ-LJQANCHMSA-N 0 3 329.488 3.083 50 0 EGAAHN Cc1cccc(Cl)c1C(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000222634836 456048468 /nfs/dbraw/zinc/04/84/68/456048468.db2.gz QBCXAWSAHJPJRC-HNNXBMFYSA-N 0 3 336.863 3.022 50 0 EGAAHN Cc1c2ccccc2[nH]c1CN(C)C(=O)N[C@@H](C)CN1CCCC1 ZINC000534635541 459340840 /nfs/dbraw/zinc/34/08/40/459340840.db2.gz SPZQSGUCALCLQM-AWEZNQCLSA-N 0 3 328.460 3.102 50 0 EGAAHN CN(Cc1ccc(Cn2cccn2)cc1)Cc1ccc2nonc2c1 ZINC000215120550 536469668 /nfs/dbraw/zinc/46/96/68/536469668.db2.gz SYUCBTKNWZMMAJ-UHFFFAOYSA-N 0 3 333.395 3.100 50 0 EGAAHN COc1cc(C)c(CN2C[C@H](O)[C@@H](N3CCCCC3)C2)cc1C(C)C ZINC000215335128 536574007 /nfs/dbraw/zinc/57/40/07/536574007.db2.gz LYXMAMDOUJXEGH-PMACEKPBSA-N 0 3 346.515 3.158 50 0 EGAAHN CCc1oc(-c2ncnn2CC(F)(F)F)cc1CN1CCCC1 ZINC000670455090 548218654 /nfs/dbraw/zinc/21/86/54/548218654.db2.gz YVIKUVRMDSDDRQ-UHFFFAOYSA-N 0 3 328.338 3.259 50 0 EGAAHN O=C(Cc1cccs1)N[C@@H]1CCCN(CCc2ccccc2)C1 ZINC000012590127 1291132838 /nfs/dbraw/zinc/13/28/38/1291132838.db2.gz RWHJWDLOVUARPB-QGZVFWFLSA-N 0 3 328.481 3.114 50 0 EGAAHN O=c1cc(-c2ccncc2)nc(-c2ccc(C[NH+]3CCCCC3)cc2)[n-]1 ZINC000048390799 1291601676 /nfs/dbraw/zinc/60/16/76/1291601676.db2.gz SGMVQLODSVHFKD-UHFFFAOYSA-N 0 3 346.434 3.485 50 0 EGAAHN COCCN1CCC[C@@H](c2nc(C)nn2Cc2ccc(Cl)cc2)C1 ZINC000824413147 1320255759 /nfs/dbraw/zinc/25/57/59/1320255759.db2.gz KCWHMUZVYNHNTI-MRXNPFEDSA-N 0 3 348.878 3.114 50 0 EGAAHN Cc1nc(C)c(C)c(NC[C@H](c2cccnc2)N2CCCCC2)n1 ZINC000825269838 1320322807 /nfs/dbraw/zinc/32/28/07/1320322807.db2.gz GELIQORUHZTCSF-GOSISDBHSA-N 0 3 325.460 3.436 50 0 EGAAHN Nc1ncc(C(=O)NC[C@H](c2ccccc2)N2CCCCCC2)s1 ZINC000827590690 1320461552 /nfs/dbraw/zinc/46/15/52/1320461552.db2.gz XTMQDIQPMPLBMY-OAHLLOKOSA-N 0 3 344.484 3.072 50 0 EGAAHN CC[C@@H]1C=CCN1Cc1ccccc1OCC(=O)N1CCC(C)CC1 ZINC000952987576 1334631394 /nfs/dbraw/zinc/63/13/94/1334631394.db2.gz KCQQJAOZTAVYFL-LJQANCHMSA-N 0 3 342.483 3.474 50 0 EGAAHN O=C(CN1CCCCCC1)N1CCC2(CC1)OCCc1sccc12 ZINC001704342680 1416449346 /nfs/dbraw/zinc/44/93/46/1416449346.db2.gz BIEBCDRUTUINLP-UHFFFAOYSA-N 0 3 348.512 3.015 50 0 EGAAHN O=C(NCCc1nccs1)c1ccc(CN2CCCCC2)cc1 ZINC000050451603 214057339 /nfs/dbraw/zinc/05/73/39/214057339.db2.gz ZQNDFUGJXHIUEC-UHFFFAOYSA-N 0 3 329.469 3.102 50 0 EGAAHN FC(F)(F)c1ccccc1CN1CCC(CN2CCOCC2)CC1 ZINC000051957322 214109760 /nfs/dbraw/zinc/10/97/60/214109760.db2.gz IQXKNUVLCJFWFS-UHFFFAOYSA-N 0 3 342.405 3.250 50 0 EGAAHN CO[C@@H](C(=O)N(CCN(C)C)Cc1sccc1C)c1ccccc1 ZINC000055036504 214265893 /nfs/dbraw/zinc/26/58/93/214265893.db2.gz AYHILBPNBRDQJP-GOSISDBHSA-N 0 3 346.496 3.334 50 0 EGAAHN COc1cc(CN(Cc2ccccc2)C[C@@H](C)CO)cc2c1OCO2 ZINC000055227082 214292536 /nfs/dbraw/zinc/29/25/36/214292536.db2.gz SGQNUQAQBDPXSJ-OAHLLOKOSA-N 0 3 343.423 3.055 50 0 EGAAHN Cc1cccc(-c2ncc(CN[C@@H](CO)Cc3ccccc3)cn2)c1 ZINC000055341637 214308352 /nfs/dbraw/zinc/30/83/52/214308352.db2.gz XGMYWASNPHVSQU-HXUWFJFHSA-N 0 3 333.435 3.145 50 0 EGAAHN Cn1nnnc1SCCNCc1ccc(-c2cccc(Cl)c2)o1 ZINC000004488487 210201552 /nfs/dbraw/zinc/20/15/52/210201552.db2.gz LWFNYDIKOJRVHZ-UHFFFAOYSA-N 0 3 349.847 3.005 50 0 EGAAHN CC(C)CC[C@H](CC(=O)NCCN(C)C)[C@H]1CCOC(C)(C)C1 ZINC000004084482 210116819 /nfs/dbraw/zinc/11/68/19/210116819.db2.gz LHZAEUFCMPVBIP-SJORKVTESA-N 0 3 326.525 3.312 50 0 biogenic EGAAHN CC(C)(C)C(=O)NC[C@@H]1CCN(Cc2c[nH]nc2-c2ccccc2)C1 ZINC000067562091 215162547 /nfs/dbraw/zinc/16/25/47/215162547.db2.gz DCWVVKHDIDOJNN-HNNXBMFYSA-N 0 3 340.471 3.061 50 0 EGAAHN O=C(c1ccccn1)[C@H]1CCCN(Cc2ccc(-n3ccnc3)cc2)C1 ZINC000067817341 215220660 /nfs/dbraw/zinc/22/06/60/215220660.db2.gz PDDYYZZCYQATJE-SFHVURJKSA-N 0 3 346.434 3.362 50 0 EGAAHN Cc1c2ccccc2[nH]c1C(=O)NC[C@@H]1CCN(Cc2ccco2)C1 ZINC000067849867 215230260 /nfs/dbraw/zinc/23/02/60/215230260.db2.gz UVRZGKSXAGFBBD-HNNXBMFYSA-N 0 3 337.423 3.321 50 0 EGAAHN Cc1ccccc1CN1CCN(CCc2ccccc2)C[C@H]1CCO ZINC000104342896 219377037 /nfs/dbraw/zinc/37/70/37/219377037.db2.gz WIKXTGXCLMHCKB-JOCHJYFZSA-N 0 3 338.495 3.106 50 0 EGAAHN Cc1ccc(SCCCN(C)Cc2cc3n(n2)CCCNC3)cc1 ZINC000072140151 216026179 /nfs/dbraw/zinc/02/61/79/216026179.db2.gz CFAIYUUQEATNIP-UHFFFAOYSA-N 0 3 344.528 3.299 50 0 EGAAHN c1ccc(OCCN(Cc2cccnc2)[C@@H]2CN3CCC2CC3)cc1 ZINC000072148333 216035409 /nfs/dbraw/zinc/03/54/09/216035409.db2.gz ADRLUVKDYYJPLJ-OAQYLSRUSA-N 0 3 337.467 3.057 50 0 EGAAHN CN(C)c1ccc(CN2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)cn1 ZINC000072163704 216051824 /nfs/dbraw/zinc/05/18/24/216051824.db2.gz LYTBYVSZYIQYIQ-MRXNPFEDSA-N 0 3 349.482 3.479 50 0 EGAAHN Cc1c2ccccc2oc1Cn1ccnc1-c1cc2n(n1)CCCNC2 ZINC000072421071 216208925 /nfs/dbraw/zinc/20/89/25/216208925.db2.gz UYOQIWFVRSHJEK-UHFFFAOYSA-N 0 3 347.422 3.343 50 0 EGAAHN COCCCN(C(=O)c1ccc(Cl)c(F)c1)C1CCN(C)CC1 ZINC000072430826 216223668 /nfs/dbraw/zinc/22/36/68/216223668.db2.gz BDTHTUQCLBLIIF-UHFFFAOYSA-N 0 3 342.842 3.052 50 0 EGAAHN O=C1CC[C@H]2CN(c3ccncc3)CC[C@H]2N1CCc1ccccc1 ZINC000072457434 216241906 /nfs/dbraw/zinc/24/19/06/216241906.db2.gz KNVYDMQCYMNHOW-AZUAARDMSA-N 0 3 335.451 3.142 50 0 EGAAHN Cc1cccc(N2CCC3(CCCN3Cc3cccnc3N)CC2)n1 ZINC000072474192 216251168 /nfs/dbraw/zinc/25/11/68/216251168.db2.gz PSZRFKLXKAZSPO-UHFFFAOYSA-N 0 3 337.471 3.002 50 0 EGAAHN COC(=O)c1sccc1NC(=O)CN(CC(C)C)CC(C)C ZINC000026648125 212530033 /nfs/dbraw/zinc/53/00/33/212530033.db2.gz BFBOJQAUJPKXGV-UHFFFAOYSA-N 0 3 326.462 3.087 50 0 EGAAHN CSCCN1CCC(NC(=O)C[C@H]2CCc3ccccc32)CC1 ZINC000215348263 241120003 /nfs/dbraw/zinc/12/00/03/241120003.db2.gz PZUDABCXDLJHGK-MRXNPFEDSA-N 0 3 332.513 3.050 50 0 EGAAHN CCOc1cc2c(cc1CN1CCC[C@@H](c3nnc[nH]3)C1)CCC2 ZINC000215888475 241154377 /nfs/dbraw/zinc/15/43/77/241154377.db2.gz DLILXZTZLWPSME-MRXNPFEDSA-N 0 3 326.444 3.072 50 0 EGAAHN Cn1ccc2ccc(CN3CCCN(Cc4ccccn4)CC3)cc21 ZINC000216476954 241194431 /nfs/dbraw/zinc/19/44/31/241194431.db2.gz RDPJCIGOXGIFBU-UHFFFAOYSA-N 0 3 334.467 3.281 50 0 EGAAHN COc1cccc(OCCN2CCC(O)(c3ccc(F)cc3)CC2)c1 ZINC000244678733 243057029 /nfs/dbraw/zinc/05/70/29/243057029.db2.gz IIYGSNFUNAOIDF-UHFFFAOYSA-N 0 3 345.414 3.197 50 0 EGAAHN CCN1CCN(CCOc2ccc(OCc3ccccc3)cc2)CC1 ZINC000020406444 212125837 /nfs/dbraw/zinc/12/58/37/212125837.db2.gz LDNMVMMMAREJHB-UHFFFAOYSA-N 0 3 340.467 3.282 50 0 EGAAHN CC(C)CN1CCN(Cc2c(F)cccc2Cl)C[C@@H]1CCO ZINC000020294258 212116365 /nfs/dbraw/zinc/11/63/65/212116365.db2.gz ZDHOQMNDHRSERR-AWEZNQCLSA-N 0 3 328.859 3.004 50 0 EGAAHN CSc1ccc(CN2CCN(C3CCCC3)[C@@H](CCO)C2)cc1 ZINC000019595302 212050830 /nfs/dbraw/zinc/05/08/30/212050830.db2.gz CKFPJEAXCARGJQ-SFHVURJKSA-N 0 3 334.529 3.220 50 0 EGAAHN COc1ccc([C@@H]2CN(c3nc4ccccc4o3)C[C@H]2N(C)C)cc1 ZINC000091664624 218043047 /nfs/dbraw/zinc/04/30/47/218043047.db2.gz JPGAXCXFYALHLP-FUHWJXTLSA-N 0 3 337.423 3.370 50 0 EGAAHN OCCOc1ccc(CN2CCC[C@@H](Nc3ccc(F)cc3)C2)cc1 ZINC000011753759 211243170 /nfs/dbraw/zinc/24/31/70/211243170.db2.gz NPDCPFGHMINOCC-LJQANCHMSA-N 0 3 344.430 3.273 50 0 EGAAHN CCCOC(=O)N1C[C@@H](c2ccc(OC)cc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095360621 218292663 /nfs/dbraw/zinc/29/26/63/218292663.db2.gz AYTNHEUBHOICPP-IPMKNSEASA-N 0 3 344.455 3.104 50 0 EGAAHN CC(C)=CCN1C[C@H]2CC[C@@H]1CN(Cc1ccc(N(C)C)nc1)C2 ZINC000095359529 218293171 /nfs/dbraw/zinc/29/31/71/218293171.db2.gz MPIXKCWJQCEIOT-RBUKOAKNSA-N 0 3 328.504 3.010 50 0 EGAAHN COc1ccc([C@@H]2CN(c3ncccc3Cl)C[C@H]2N(C)C)cc1 ZINC000095357713 218291598 /nfs/dbraw/zinc/29/15/98/218291598.db2.gz MAAGHPFXCKQHGQ-DOTOQJQBSA-N 0 3 331.847 3.278 50 0 EGAAHN C[C@@H](O)c1cccc(N2CCC(N3CCc4ccccc4C3)CC2)n1 ZINC000095375640 218309401 /nfs/dbraw/zinc/30/94/01/218309401.db2.gz NYJMGNLAYYRMDP-MRXNPFEDSA-N 0 3 337.467 3.162 50 0 EGAAHN CO[C@]12CCN(Cc3cccc(OC(F)(F)F)c3)[C@H]1C[C@@H](O)CC2 ZINC000299772961 258084937 /nfs/dbraw/zinc/08/49/37/258084937.db2.gz BHBCBDYFUVOFIM-CWRNSKLLSA-N 0 3 345.361 3.090 50 0 EGAAHN O=C1CC[C@H](CCNCc2ccccn2)N1Cc1ccc(F)cc1F ZINC000299785222 258092213 /nfs/dbraw/zinc/09/22/13/258092213.db2.gz QWIFQZHAWQYJGO-QGZVFWFLSA-N 0 3 345.393 3.031 50 0 EGAAHN 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C[C@H](C(=O)N1CCCN(Cc2cccs2)CC1)N1CCCCCC1 ZINC000077539864 454119843 /nfs/dbraw/zinc/11/98/43/454119843.db2.gz YMGPYJQKLZYOLM-QGZVFWFLSA-N 0 3 349.544 3.047 50 0 EGAAHN NC(=O)CCN1CCC[C@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000071760437 454215289 /nfs/dbraw/zinc/21/52/89/454215289.db2.gz YIIXVKWBAIKRQB-IBGZPJMESA-N 0 3 336.435 3.124 50 0 EGAAHN CC1CCN(Cc2ccc(-c3nc(-c4cccnn4)no3)o2)CC1 ZINC000095501638 454221935 /nfs/dbraw/zinc/22/19/35/454221935.db2.gz SVHZVHXQGHAPPS-UHFFFAOYSA-N 0 3 325.372 3.019 50 0 EGAAHN COc1ccc(CCNC(C)(C)C(=O)c2ccccc2)cc1OC ZINC000096028101 454264939 /nfs/dbraw/zinc/26/49/39/454264939.db2.gz NYPKCBVPNJSYOW-UHFFFAOYSA-N 0 3 327.424 3.497 50 0 EGAAHN Cc1ccc(CN(CCN(C)C)C(=O)Nc2ccc(F)nc2)s1 ZINC000096130422 454289866 /nfs/dbraw/zinc/28/98/66/454289866.db2.gz YWHRWDWTCPNDIM-UHFFFAOYSA-N 0 3 336.436 3.186 50 0 EGAAHN Cc1nnc2n1C[C@H](NCc1cccc(OCc3ccccc3)c1)CC2 ZINC000097199588 454421676 /nfs/dbraw/zinc/42/16/76/454421676.db2.gz GGNKQENOQFXWRJ-LJQANCHMSA-N 0 3 348.450 3.270 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329.488 3.229 50 0 EGAAHN C[C@@H]1CN(Cc2cccc(OCCN3CCCCC3)c2)C[C@H](C)O1 ZINC000219944285 456037471 /nfs/dbraw/zinc/03/74/71/456037471.db2.gz NVIQYCRBPIEQAN-HDICACEKSA-N 0 3 332.488 3.161 50 0 EGAAHN c1ccc(CN2CCC(Nc3cc([C@@H]4CCOC4)ncn3)CC2)cc1 ZINC000426436560 457829452 /nfs/dbraw/zinc/82/94/52/457829452.db2.gz NIPCWCSGAKORSH-QGZVFWFLSA-N 0 3 338.455 3.057 50 0 EGAAHN CCN1CCCC[C@H]1CNC(=O)N(C)Cc1cccc2cccnc21 ZINC000426493259 457841918 /nfs/dbraw/zinc/84/19/18/457841918.db2.gz SIUPQIUFFJFPKM-SFHVURJKSA-N 0 3 340.471 3.251 50 0 EGAAHN Cc1ccc([C@@H](NC(=O)N2CCCN(C)CC2)c2cccs2)cc1 ZINC000534584907 459335811 /nfs/dbraw/zinc/33/58/11/459335811.db2.gz UXTRMEBNNWEIGG-GOSISDBHSA-N 0 3 343.496 3.493 50 0 EGAAHN CCOc1ccc(C(=O)CN2CCN(C3CCCCC3)CC2)cc1 ZINC000220965829 547244016 /nfs/dbraw/zinc/24/40/16/547244016.db2.gz XOAHRNNXOKLXDU-UHFFFAOYSA-N 0 3 330.472 3.218 50 0 EGAAHN O=C(NCCN1CCC[C@@H](c2ccccc2)C1)c1cccn1C1CC1 ZINC000670441948 548215555 /nfs/dbraw/zinc/21/55/55/548215555.db2.gz 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YVEZRZBBLHZZRR-GOSISDBHSA-N 0 3 330.472 3.283 50 0 EGAAHN Cc1cccc(C(=O)N2CCC[N@@H+](CC3CC3)[C@@H](C(C)C)C2)c1[O-] ZINC000071747331 454212228 /nfs/dbraw/zinc/21/22/28/454212228.db2.gz YVEZRZBBLHZZRR-GOSISDBHSA-N 0 3 330.472 3.283 50 0 EGAAHN CN[C@@H](C(=O)N1CCC(c2nccn2C(C)C)CC1)c1ccccc1 ZINC000095500412 454222291 /nfs/dbraw/zinc/22/22/91/454222291.db2.gz NKLZOLRAOIMQNJ-GOSISDBHSA-N 0 3 340.471 3.131 50 0 EGAAHN Cc1cccc(NC[C@@H]2CCN(Cc3nc(-c4ccccc4)no3)C2)n1 ZINC000097200857 454422755 /nfs/dbraw/zinc/42/27/55/454422755.db2.gz KYFAKGVWTUECRJ-INIZCTEOSA-N 0 3 349.438 3.374 50 0 EGAAHN CC[C@]1(CO)CCCN(Cc2ccccc2-n2nc(C)cc2C)C1 ZINC000091364573 454430537 /nfs/dbraw/zinc/43/05/37/454430537.db2.gz SVHNEZDOXXGXMF-FQEVSTJZSA-N 0 3 327.472 3.474 50 0 EGAAHN CC(C)SCC(=O)N1C[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2 ZINC000091849196 454481606 /nfs/dbraw/zinc/48/16/06/454481606.db2.gz MDZPGMVRTFAKFK-ZWKOTPCHSA-N 0 3 332.513 3.251 50 0 EGAAHN O=C1COc2ccccc2CN1C1CCN(Cc2ccccc2)CC1 ZINC000065184352 454536530 /nfs/dbraw/zinc/53/65/30/454536530.db2.gz UVXTVZBKOWUXNM-UHFFFAOYSA-N 0 3 336.435 3.072 50 0 EGAAHN Cc1ccc(F)c(NC(=O)CCNC[C@H]2OCCc3ccccc32)c1 ZINC000065375865 454556286 /nfs/dbraw/zinc/55/62/86/454556286.db2.gz GJINWFXDLJPROA-LJQANCHMSA-N 0 3 342.414 3.366 50 0 EGAAHN Cc1cccc(C(C)C)c1NC(=O)CN[C@H](C)Cc1cnccn1 ZINC000065434377 454567063 /nfs/dbraw/zinc/56/70/63/454567063.db2.gz AZLPZLJQVLNDDX-OAHLLOKOSA-N 0 3 326.444 3.068 50 0 EGAAHN Cc1nc([C@@H]2CCCN(Cc3ccco3)C2)n(-c2ccnc(C)c2)n1 ZINC000065499806 454578674 /nfs/dbraw/zinc/57/86/74/454578674.db2.gz DZJQHAIQILZYDO-MRXNPFEDSA-N 0 3 337.427 3.252 50 0 EGAAHN CC[C@H](NC(=O)c1cccc(CN2CCCCCC2)c1)C1CC(O)C1 ZINC000223248929 456055086 /nfs/dbraw/zinc/05/50/86/456055086.db2.gz IJLCMHWYSGVSAL-MHJFOBGBSA-N 0 3 344.499 3.342 50 0 EGAAHN O=C(Nc1ccc2c(c1)COC2)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000299769896 456780668 /nfs/dbraw/zinc/78/06/68/456780668.db2.gz OJXIVSJCDALXEL-LJQANCHMSA-N 0 3 337.423 3.113 50 0 EGAAHN CO[C@]12CCN(CC3=Cc4cc(Cl)ccc4OC3)[C@H]1C[C@H](O)CC2 ZINC000426529404 457848557 /nfs/dbraw/zinc/84/85/57/457848557.db2.gz PMCCYJRNKABFRR-NZSAHSFTSA-N 0 3 349.858 3.120 50 0 EGAAHN Cc1ccc(OCCCN(C)C(=O)N[C@H](C)CN2CCCC2)c(C)c1 ZINC000534635610 459340966 /nfs/dbraw/zinc/34/09/66/459340966.db2.gz DRNVVEWCSDBZKS-GOSISDBHSA-N 0 3 347.503 3.198 50 0 EGAAHN Cc1ccc(C2(NC(=O)N3CC[C@H](N4CCCCC4)C3)CC2)cc1 ZINC000584893570 459819667 /nfs/dbraw/zinc/81/96/67/459819667.db2.gz YJQCWYWFYBFYBP-SFHVURJKSA-N 0 3 327.472 3.254 50 0 EGAAHN COc1ccc([C@@H]2C[C@H](O)[C@H](C)[C@@H](c3ccc(OC)cc3)N2)cc1 ZINC000584904435 459821378 /nfs/dbraw/zinc/82/13/78/459821378.db2.gz GTAOASWLKOJDQI-KJYZGMDISA-N 0 3 327.424 3.477 50 0 EGAAHN COc1ccc(CN(C)CCc2ccccn2)cc1Cn1cccn1 ZINC000639041829 461684810 /nfs/dbraw/zinc/68/48/10/461684810.db2.gz ZELISLCZAIAMFM-UHFFFAOYSA-N 0 3 336.439 3.010 50 0 EGAAHN CN1CCC(c2nnc3sc(-c4ccccc4Cl)nn32)CC1 ZINC000823765987 1320204627 /nfs/dbraw/zinc/20/46/27/1320204627.db2.gz NOPLSCGZMLMUTC-UHFFFAOYSA-N 0 3 333.848 3.315 50 0 EGAAHN OCCOc1cccc(CN2CCC([C@@H](O)c3cccs3)CC2)c1 ZINC000952986152 1334630898 /nfs/dbraw/zinc/63/08/98/1334630898.db2.gz JVDSWFXTYRUMEY-LJQANCHMSA-N 0 3 347.480 3.065 50 0 EGAAHN CC[C@@H](C)Oc1cccc(CN2CCC(Cc3nncn3C)CC2)c1 ZINC000055282636 214301403 /nfs/dbraw/zinc/30/14/03/214301403.db2.gz OVTUYCFLYHSNSR-MRXNPFEDSA-N 0 3 342.487 3.447 50 0 EGAAHN Cc1ccc(N2C(=O)C[C@@H](NCCc3ccc(Cl)cc3)C2=O)cc1 ZINC000004648894 210237113 /nfs/dbraw/zinc/23/71/13/210237113.db2.gz RHJLUTNAJXXCDE-QGZVFWFLSA-N 0 3 342.826 3.113 50 0 EGAAHN CN(C)CCN1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067787812 215211652 /nfs/dbraw/zinc/21/16/52/215211652.db2.gz VTRNEUSIFADYJH-UHFFFAOYSA-N 0 3 346.858 3.469 50 0 EGAAHN CC(C)=CC(=O)NC[C@H]1CCCN(Cc2cc3ccccc3[nH]2)C1 ZINC000067850891 215231939 /nfs/dbraw/zinc/23/19/39/215231939.db2.gz RMDQKVARAGPGST-MRXNPFEDSA-N 0 3 325.456 3.462 50 0 EGAAHN Cc1cccc(CN2CC[C@@H](CNC(=O)c3sccc3Cl)C2)n1 ZINC000067909480 215249065 /nfs/dbraw/zinc/24/90/65/215249065.db2.gz VAOWNYMRTBGFSL-ZDUSSCGKSA-N 0 3 349.887 3.357 50 0 EGAAHN COc1cc(C)c(CN2CCN(C3CCCC3)[C@H](CCO)C2)cc1C ZINC000039413288 213236369 /nfs/dbraw/zinc/23/63/69/213236369.db2.gz IYEWVCZQNZHFPK-HXUWFJFHSA-N 0 3 346.515 3.123 50 0 EGAAHN C[C@H](O)c1ccc(-c2ccc(CNCCCn3ccnc3)o2)cc1 ZINC000035268965 213016967 /nfs/dbraw/zinc/01/69/67/213016967.db2.gz KZMIFJXZFDHKGN-HNNXBMFYSA-N 0 3 325.412 3.376 50 0 EGAAHN CCCn1ncc(CN2CCCN(Cc3ccc(F)cc3)CC2)c1C ZINC000072138762 216026671 /nfs/dbraw/zinc/02/66/71/216026671.db2.gz DGLPBWWVWJKVIA-UHFFFAOYSA-N 0 3 344.478 3.449 50 0 EGAAHN COCCCN(C(=O)Nc1ccc(C)c(C)c1)C1CCN(C)CC1 ZINC000072131926 216020928 /nfs/dbraw/zinc/02/09/28/216020928.db2.gz MIJPENWDFKANHD-UHFFFAOYSA-N 0 3 333.476 3.268 50 0 EGAAHN Cn1c2ccccc2cc(CN2CCC(c3ccncc3)CC2)c1=O ZINC000072423444 216212972 /nfs/dbraw/zinc/21/29/72/216212972.db2.gz OSGSGEHWEBHFQR-UHFFFAOYSA-N 0 3 333.435 3.313 50 0 EGAAHN CCCc1nc(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)cs1 ZINC000215761003 241143327 /nfs/dbraw/zinc/14/33/27/241143327.db2.gz UKOBGYUCVWWJFM-MRXNPFEDSA-N 0 3 331.485 3.437 50 0 EGAAHN CCc1nccn1CCN1CCC[C@@H](COc2ccccc2F)C1 ZINC000244773873 243078331 /nfs/dbraw/zinc/07/83/31/243078331.db2.gz PIEKXTYNQUUZFD-MRXNPFEDSA-N 0 3 331.435 3.376 50 0 EGAAHN O=C(Cc1cccnc1)NC[C@@H](c1ccccc1)N1CCCCCC1 ZINC000244788029 243083207 /nfs/dbraw/zinc/08/32/07/243083207.db2.gz QHYKLGZNJQZVSM-FQEVSTJZSA-N 0 3 337.467 3.358 50 0 EGAAHN Cc1ccc([C@]2(CCN3CCN(C)CC3)CCOC(C)(C)C2)cc1 ZINC000020590534 212149927 /nfs/dbraw/zinc/14/99/27/212149927.db2.gz XTAQKVSAJJACBC-OAQYLSRUSA-N 0 3 330.516 3.459 50 0 EGAAHN CC(C)=CCN1CCN(Cc2cccc3cnccc32)C[C@@H]1CCO ZINC000020453399 212131157 /nfs/dbraw/zinc/13/11/57/212131157.db2.gz LOIIRFMZRREDFD-FQEVSTJZSA-N 0 3 339.483 3.070 50 0 EGAAHN CC(C)CCN1CCN(Cc2cc3ccccc3o2)C[C@@H]1CCO ZINC000020235445 212113238 /nfs/dbraw/zinc/11/32/38/212113238.db2.gz SPCPFVGAGWXOLS-SFHVURJKSA-N 0 3 330.472 3.348 50 0 EGAAHN O=C1C[C@@H](NC2CCCCC2)C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000019989379 212092232 /nfs/dbraw/zinc/09/22/32/212092232.db2.gz ZQISNTDPOHZWMF-CQSZACIVSA-N 0 3 340.345 3.260 50 0 EGAAHN CCOC(=O)N1CCC(NCc2ccccc2Br)CC1 ZINC000019965295 212090799 /nfs/dbraw/zinc/09/07/99/212090799.db2.gz VHZYCFIBWMYLSA-UHFFFAOYSA-N 0 3 341.249 3.160 50 0 EGAAHN CCN(Cc1cc[nH]n1)C[C@@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000012305980 211338754 /nfs/dbraw/zinc/33/87/54/211338754.db2.gz IHGAUWAHILOEJZ-SFHVURJKSA-N 0 3 344.478 3.325 50 0 EGAAHN CC(C)(C)C(=O)N1CC[C@H](C2CCN(Cc3cccnc3)CC2)C1 ZINC000011937019 211272146 /nfs/dbraw/zinc/27/21/46/211272146.db2.gz WQVLWTRLKYFFPC-SFHVURJKSA-N 0 3 329.488 3.188 50 0 EGAAHN COCCC[C@]1(CO)CCCN(CCOc2ccc(Cl)cc2)C1 ZINC000091755825 218060586 /nfs/dbraw/zinc/06/05/86/218060586.db2.gz GJWDLXOVSUFXDE-GOSISDBHSA-N 0 3 341.879 3.220 50 0 EGAAHN CN1CC2(CCN(Cc3cccnc3)CC2)C[C@@H](c2ccccc2)C1=O ZINC000091914750 218088439 /nfs/dbraw/zinc/08/84/39/218088439.db2.gz APBBVKPRLRIDFT-FQEVSTJZSA-N 0 3 349.478 3.310 50 0 EGAAHN COc1cccc(CN2CC[C@H](Cc3cccc(CO)c3)C2)c1OC ZINC000091849292 218076829 /nfs/dbraw/zinc/07/68/29/218076829.db2.gz AHZWNRUFWYFCEV-QGZVFWFLSA-N 0 3 341.451 3.261 50 0 EGAAHN FC(F)C(F)(F)CCN1C[C@H]2CC[C@H](CN2Cc2ccccn2)C1 ZINC000091871520 218081330 /nfs/dbraw/zinc/08/13/30/218081330.db2.gz MWQUUPGPRNHDEA-DZGCQCFKSA-N 0 3 345.384 3.268 50 0 EGAAHN CC(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1ccc(C(F)(F)F)cc1)C2 ZINC000092046705 218110993 /nfs/dbraw/zinc/11/09/93/218110993.db2.gz URXAQVDSQLSJCB-GOEBONIOSA-N 0 3 326.362 3.148 50 0 EGAAHN COc1ccc(/C=C/CN2C[C@H]3CC[C@@H](C2)C(=O)N3CC2CC2)cc1 ZINC000095359969 218292903 /nfs/dbraw/zinc/29/29/03/218292903.db2.gz NVFJAFJWEYZRRZ-WTJLDUFHSA-N 0 3 340.467 3.041 50 0 EGAAHN Cc1ccc(CNC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)o1 ZINC000299771934 258084077 /nfs/dbraw/zinc/08/40/77/258084077.db2.gz ZYOJPIMPMJHFCE-UHFFFAOYSA-N 0 3 343.427 3.383 50 0 EGAAHN O=C1CC[C@@H](CCNCc2ccccn2)N1Cc1ccc(F)cc1F ZINC000299785219 258092555 /nfs/dbraw/zinc/09/25/55/258092555.db2.gz QWIFQZHAWQYJGO-KRWDZBQOSA-N 0 3 345.393 3.031 50 0 EGAAHN CN(C)[C@@H]1CCCN(C(=O)Nc2ccccc2Oc2cccnc2)C1 ZINC000299800298 258103655 /nfs/dbraw/zinc/10/36/55/258103655.db2.gz VGKBDEGHEPINKA-OAHLLOKOSA-N 0 3 340.427 3.432 50 0 EGAAHN Cc1cccc(-c2ncc(CNCCCNc3cccnc3)cn2)c1 ZINC000055061093 258061195 /nfs/dbraw/zinc/06/11/95/258061195.db2.gz UDQJMROWAWFLMT-UHFFFAOYSA-N 0 3 333.439 3.439 50 0 EGAAHN COc1ccc2cc(CNC[C@@H]3CCCO3)c(N3CCCC3)nc2c1 ZINC000299764954 258080154 /nfs/dbraw/zinc/08/01/54/258080154.db2.gz WLALKZFAUJYGQC-SFHVURJKSA-N 0 3 341.455 3.112 50 0 EGAAHN Cc1ccc(CN2C(=O)CC[C@@H]2CCNCc2ccccn2)cc1F ZINC000299765355 258080179 /nfs/dbraw/zinc/08/01/79/258080179.db2.gz FYYUWMWDETZHML-GOSISDBHSA-N 0 3 341.430 3.200 50 0 EGAAHN CO[C@]12CCN(Cc3cnc(-c4ccccc4)s3)[C@H]1C[C@@H](O)CC2 ZINC000299765420 258080681 /nfs/dbraw/zinc/08/06/81/258080681.db2.gz ARBHDAVBVYHRTE-VDZJLULYSA-N 0 3 344.480 3.314 50 0 EGAAHN CN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3cccnc3)=NN12 ZINC000004811559 273872199 /nfs/dbraw/zinc/87/21/99/273872199.db2.gz FXPUZKHAUFSKGS-SFHVURJKSA-N 0 3 334.423 3.047 50 0 EGAAHN CCN(CC)[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000002459131 452697794 /nfs/dbraw/zinc/69/77/94/452697794.db2.gz VQXHXCBYFGPRMT-JKSUJKDBSA-N 0 3 344.908 3.271 50 0 EGAAHN FC(F)(F)c1cnc(N2CCC3(CC2)NCCS3)c(Cl)c1 ZINC000052508083 274907639 /nfs/dbraw/zinc/90/76/39/274907639.db2.gz HVUZYDRVMMZJHJ-UHFFFAOYSA-N 0 3 337.798 3.387 50 0 EGAAHN CCN(CC)CCOC(=O)[C@@](O)(c1ccccc1)C1CCCCC1 ZINC000001710818 279107923 /nfs/dbraw/zinc/10/79/23/279107923.db2.gz YXUBHIRQBSIPFE-HXUWFJFHSA-N 0 3 333.472 3.340 50 0 in-vitro EGAAHN c1coc(CCCN2CCC(c3nnc4n3CCCCC4)CC2)c1 ZINC000244858446 455276425 /nfs/dbraw/zinc/27/64/25/455276425.db2.gz VLDRQEQKRCYWEY-UHFFFAOYSA-N 0 3 328.460 3.410 50 0 EGAAHN CCOc1cc2c(cc1OCC)C(c1ccc(C(=O)[O-])cc1)[NH2+]CC2 ZINC000000141124 452519159 /nfs/dbraw/zinc/51/91/59/452519159.db2.gz JEFWFORHNKXGAL-IBGZPJMESA-N 0 3 341.407 3.417 50 0 biogenic,in-vitro EGAAHN COc1ccc(OC)c(NC(=O)CCN2CCc3ccccc3C2)c1 ZINC000000256613 452547519 /nfs/dbraw/zinc/54/75/19/452547519.db2.gz APDSTOAKQMWGDD-UHFFFAOYSA-N 0 3 340.423 3.091 50 0 EGAAHN Cc1ccc2[nH]c3c(c2c1)CN(C(=O)CN1CCC[C@H](C)C1)CC3 ZINC000000509320 452610245 /nfs/dbraw/zinc/61/02/45/452610245.db2.gz MYGBEOGYYAJYJL-HNNXBMFYSA-N 0 3 325.456 3.093 50 0 EGAAHN COc1cccc(CN2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c1 ZINC000000819327 452637065 /nfs/dbraw/zinc/63/70/65/452637065.db2.gz PBMRTNGATVHZGI-INIZCTEOSA-N 0 3 330.472 3.166 50 0 EGAAHN CCN(CC)CCOC(=O)c1cccc2c1-c1ccccc1[C@@H]2O ZINC000001836715 452678939 /nfs/dbraw/zinc/67/89/39/452678939.db2.gz OKWUJZMGUDCBLX-IBGZPJMESA-N 0 3 325.408 3.247 50 0 EGAAHN COc1ccc(NC(=S)N2CCN(C3CCCCC3)CC2)cc1 ZINC000003105490 452743629 /nfs/dbraw/zinc/74/36/29/452743629.db2.gz OKBKIJQKFRVVIV-UHFFFAOYSA-N 0 3 333.501 3.342 50 0 EGAAHN COc1ccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000006742055 452980020 /nfs/dbraw/zinc/98/00/20/452980020.db2.gz AMFWNGBGVVOSRG-UHFFFAOYSA-N 0 3 339.439 3.481 50 0 EGAAHN COC(=O)c1ccc2[nH]c(C)c(CN3CCC[C@@H](C)C3)c(=O)c2c1 ZINC000008714048 453226869 /nfs/dbraw/zinc/22/68/69/453226869.db2.gz NADCGHPAPIMHJY-GFCCVEGCSA-N 0 3 328.412 3.267 50 0 EGAAHN CCN(CC)C[C@@H](O)COc1ccc2c(c1)c(C(C)=O)c(C)n2CC ZINC000012421898 453362972 /nfs/dbraw/zinc/36/29/72/453362972.db2.gz IONBRLMGTCOYJH-MRXNPFEDSA-N 0 3 346.471 3.254 50 0 EGAAHN Cc1cc(C)c(S(=O)(=O)NCCCN2CCCCCC2)c(C)c1 ZINC000013669129 453478203 /nfs/dbraw/zinc/47/82/03/453478203.db2.gz UFGWVDGQTCQVDP-UHFFFAOYSA-N 0 3 338.517 3.156 50 0 EGAAHN Cc1ccc(NC(=O)CC2N=C(N3CCc4ccccc43)NC2=O)cc1 ZINC000013723904 453484027 /nfs/dbraw/zinc/48/40/27/453484027.db2.gz KXIDQSLZBBXTSM-MRXNPFEDSA-N 0 3 348.406 3.081 50 0 EGAAHN O=c1c2c3c(sc2ncn1[C@H]1CCCc2ccccc21)CNCC3 ZINC000077471776 454109728 /nfs/dbraw/zinc/10/97/28/454109728.db2.gz AMURLFVJZLNRJC-HNNXBMFYSA-N 0 3 337.448 3.029 50 0 EGAAHN c1cnn(CC[C@@H]2CCCCN2Cc2cnc(-c3ccccn3)nc2)c1 ZINC000077505048 454115431 /nfs/dbraw/zinc/11/54/31/454115431.db2.gz 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/nfs/dbraw/zinc/56/38/82/454563882.db2.gz UWKIAEFRIAPNHA-OGWHTMIXSA-N 0 3 346.833 3.237 50 0 EGAAHN COc1ccc(OC)c([C@@H]2CCN(Cc3cccc4c3OCO4)C2)c1 ZINC000065535581 454586748 /nfs/dbraw/zinc/58/67/48/454586748.db2.gz CYSCXWKZLPWAMF-CQSZACIVSA-N 0 3 341.407 3.422 50 0 EGAAHN NC(=O)c1ccc(OCCCN2CCc3c(Cl)cccc3C2)cc1 ZINC000252499305 455815548 /nfs/dbraw/zinc/81/55/48/455815548.db2.gz RYMIYHPFNVPCOW-UHFFFAOYSA-N 0 3 344.842 3.266 50 0 EGAAHN O=C(/C=C/c1cccs1)N1CC[C@H](N2CCc3ccccc3C2)C1 ZINC000225684643 456102636 /nfs/dbraw/zinc/10/26/36/456102636.db2.gz AXLRTMCUHPRZHX-DVBCCOPCSA-N 0 3 338.476 3.421 50 0 EGAAHN O=C(c1c[nH]c2ccccc12)N1CC[C@H](N2CCc3ccccc3C2)C1 ZINC000225686958 456104132 /nfs/dbraw/zinc/10/41/32/456104132.db2.gz LACZYCKWRKMDPU-SFHVURJKSA-N 0 3 345.446 3.441 50 0 EGAAHN COc1cccc(-c2ccc(C(=O)N3CCN4CCC[C@@H]4C3)cc2)c1 ZINC000426541399 457850591 /nfs/dbraw/zinc/85/05/91/457850591.db2.gz NQGHRDKRRMQDPE-LJQANCHMSA-N 0 3 336.435 3.282 50 0 EGAAHN 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3 328.412 3.411 50 0 EGAAHN CC(C)(C)CN1CCC[C@H]1C(=O)Nc1cccc(-n2cccn2)c1 ZINC000012574414 453378384 /nfs/dbraw/zinc/37/83/84/453378384.db2.gz PRVADFHDWJPSED-KRWDZBQOSA-N 0 3 326.444 3.321 50 0 EGAAHN O=C(/C=C/c1ccco1)N[C@@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000012712746 453393372 /nfs/dbraw/zinc/39/33/72/453393372.db2.gz SATYLUVMSTYGJF-QZEKMECESA-N 0 3 336.435 3.041 50 0 EGAAHN CN1CC[C@@H](NC2CCN(c3ccc(-c4ccccc4)cc3)CC2)C1=O ZINC000023399430 453709973 /nfs/dbraw/zinc/70/99/73/453709973.db2.gz JZRIUSPZRHAYCG-OAQYLSRUSA-N 0 3 349.478 3.143 50 0 EGAAHN CCc1cc(NCc2cc3n(n2)CCCN(CC(C)C)C3)nc(C)n1 ZINC000082097821 453924246 /nfs/dbraw/zinc/92/42/46/453924246.db2.gz LOYQXLKBUPHYPI-UHFFFAOYSA-N 0 3 342.491 3.018 50 0 EGAAHN CCOC(=O)C[C@H]1CCCCN1Cc1ccc(-n2ccnc2)cc1 ZINC000077319836 454090599 /nfs/dbraw/zinc/09/05/99/454090599.db2.gz GBEKCHPROBFHLM-GOSISDBHSA-N 0 3 327.428 3.180 50 0 EGAAHN CCc1ccc(CN2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)nc1 ZINC000077339913 454093827 /nfs/dbraw/zinc/09/38/27/454093827.db2.gz UBLZMOTVGVFWRV-FQEVSTJZSA-N 0 3 327.472 3.011 50 0 EGAAHN c1cnn(CC[C@H]2CCCCN2Cc2ccc3c(c2)OCCO3)c1 ZINC000077454973 454107838 /nfs/dbraw/zinc/10/78/38/454107838.db2.gz TUKNLSFUQHMQNH-QGZVFWFLSA-N 0 3 327.428 3.099 50 0 EGAAHN c1ccc(CN2C[C@H]3CC[C@@H]2CN(Cc2nnc(C4CC4)o2)C3)cc1 ZINC000095365583 454197505 /nfs/dbraw/zinc/19/75/05/454197505.db2.gz AASRKGQBRYLGFY-FUHWJXTLSA-N 0 3 338.455 3.043 50 0 EGAAHN CNCC(=O)N1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 ZINC000071746164 454211154 /nfs/dbraw/zinc/21/11/54/454211154.db2.gz FQLZCZUAIFOJMC-ZDUSSCGKSA-N 0 3 328.378 3.096 50 0 EGAAHN O[C@@H](COc1ccc(F)cc1)CN1CC=C(c2ccccc2)CC1 ZINC000046343540 454242891 /nfs/dbraw/zinc/24/28/91/454242891.db2.gz OOQLGTZUWJPPQB-LJQANCHMSA-N 0 3 327.399 3.355 50 0 EGAAHN CCN1CCC[C@@H](c2cn(Cc3nc4cc(C)c(C)cc4[nH]3)nn2)C1 ZINC000091270608 454420164 /nfs/dbraw/zinc/42/01/64/454420164.db2.gz PVQPZZKRZCDFDT-OAHLLOKOSA-N 0 3 338.459 3.019 50 0 EGAAHN Cc1c(NC(=O)[C@@H](N)C2CCCCC2)cccc1C(=O)NC(C)(C)C ZINC000063834632 454452803 /nfs/dbraw/zinc/45/28/03/454452803.db2.gz RGFFOVBEAAJIMP-KRWDZBQOSA-N 0 3 345.487 3.369 50 0 EGAAHN C[C@@H]1CCCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000048311022 454471358 /nfs/dbraw/zinc/47/13/58/454471358.db2.gz LRRTYHBIMCLVHO-MRXNPFEDSA-N 0 3 346.496 3.240 50 0 EGAAHN OCc1ccc(CN2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@H]32)o1 ZINC000065373316 454554791 /nfs/dbraw/zinc/55/47/91/454554791.db2.gz JVAWKQPNOKOMAT-PWRODBHTSA-N 0 3 341.451 3.424 50 0 EGAAHN Cc1ccc(Sc2ccc(CN3C[C@H](N(C)C)C[C@H]3CO)o2)cc1 ZINC000065459486 454570318 /nfs/dbraw/zinc/57/03/18/454570318.db2.gz UWEDCRBQKFSBCB-CVEARBPZSA-N 0 3 346.496 3.236 50 0 EGAAHN CC(C)n1cnnc1[C@H](C)NC1CCN(Cc2ccccc2)CC1 ZINC000065458730 454570959 /nfs/dbraw/zinc/57/09/59/454570959.db2.gz IGLZXQRXWVZPSA-INIZCTEOSA-N 0 3 327.476 3.174 50 0 EGAAHN O=C(c1ccccn1)N1CCC[C@H]1[C@@H]1CCCN1Cc1ccccc1 ZINC000065625555 454607579 /nfs/dbraw/zinc/60/75/79/454607579.db2.gz OIXBDLWIKITHDB-PMACEKPBSA-N 0 3 335.451 3.351 50 0 EGAAHN O=C(CCN1CCC(OCc2ccccc2)CC1)Nc1cccnc1 ZINC000252508703 455817353 /nfs/dbraw/zinc/81/73/53/455817353.db2.gz XREHBVLLUUILMC-UHFFFAOYSA-N 0 3 339.439 3.091 50 0 EGAAHN O=C(/C=C/c1ccccc1)N1CC[C@@H](N2CCc3ccccc3C2)C1 ZINC000225684467 456103099 /nfs/dbraw/zinc/10/30/99/456103099.db2.gz CZASNUVISHWKKE-RQWLHQTBSA-N 0 3 332.447 3.359 50 0 EGAAHN C[C@@H]1CCCCN1C1CN(C(=O)NCc2ccnc3ccccc23)C1 ZINC000426390027 457819549 /nfs/dbraw/zinc/81/95/49/457819549.db2.gz ZEXDWWFUBPEGGI-OAHLLOKOSA-N 0 3 338.455 3.003 50 0 EGAAHN O=C(NCCc1ccc(Cl)cc1)N1CC[C@H](N2CCCCC2)C1 ZINC000426412729 457825356 /nfs/dbraw/zinc/82/53/56/457825356.db2.gz PQBBPNOVIHOFGJ-KRWDZBQOSA-N 0 3 335.879 3.152 50 0 EGAAHN CN1CCC(CNC(=O)c2cc(Cl)c[nH]2)(c2ccccc2)CC1 ZINC000426522824 457848682 /nfs/dbraw/zinc/84/86/82/457848682.db2.gz AJXICASMTJBOFF-UHFFFAOYSA-N 0 3 331.847 3.062 50 0 EGAAHN COc1cccc(F)c1-c1ccc2c(c1)OC[C@@H](N1CCCC1)[C@@H]2O ZINC000426571676 457857209 /nfs/dbraw/zinc/85/72/09/457857209.db2.gz VXLNVNCZARQRBT-OXQOHEQNSA-N 0 3 343.398 3.392 50 0 EGAAHN COc1cccc(-c2ccc3c(c2)OC[C@@H](N2CCCC2)[C@@H]3O)c1 ZINC000426589714 457859319 /nfs/dbraw/zinc/85/93/19/457859319.db2.gz DDFJEYUNXZGYRE-UYAOXDASSA-N 0 3 325.408 3.252 50 0 EGAAHN CCc1ccc(CN(C)C(=O)NCc2ccccc2CN(C)C)nc1 ZINC000426684523 457876791 /nfs/dbraw/zinc/87/67/91/457876791.db2.gz PHXDXXBWLALPBB-UHFFFAOYSA-N 0 3 340.471 3.047 50 0 EGAAHN Cc1ccccc1[C@@H](NC(=O)N1CCCN(C)CC1)c1ccccc1 ZINC000534663310 459344345 /nfs/dbraw/zinc/34/43/45/459344345.db2.gz QCWIGSZOQCAKGB-FQEVSTJZSA-N 0 3 337.467 3.432 50 0 EGAAHN CCCc1cnc(C)nc1N1CCN(C2Cc3ccccc3C2)CC1 ZINC000065461564 535437570 /nfs/dbraw/zinc/43/75/70/535437570.db2.gz GMSHOAZTROWXSR-UHFFFAOYSA-N 0 3 336.483 3.027 50 0 EGAAHN CC[C@@H](C(=O)N1CCN(c2cc(Cl)ccc2C)CC1)N(C)CC ZINC000822549843 1320096968 /nfs/dbraw/zinc/09/69/68/1320096968.db2.gz GBPIPJDDGATMGG-INIZCTEOSA-N 0 3 337.895 3.027 50 0 EGAAHN CC(=O)Nc1ccc(C)cc1NC(=O)c1ccc(CN(C)C)cc1 ZINC000952977654 1334628191 /nfs/dbraw/zinc/62/81/91/1334628191.db2.gz KRYIHQZYMPZSCN-UHFFFAOYSA-N 0 3 325.412 3.267 50 0 EGAAHN Cc1cc(C)n2ncc(CNCCOc3cccc4cccnc43)c2n1 ZINC000952989515 1334632243 /nfs/dbraw/zinc/63/22/43/1334632243.db2.gz NLNHZKOFZDJHNO-UHFFFAOYSA-N 0 3 347.422 3.063 50 0 EGAAHN COc1ccc(C(C)C)cc1CN1CCC(Cc2nncn2C)CC1 ZINC000055254204 214297103 /nfs/dbraw/zinc/29/71/03/214297103.db2.gz RJCLQRSRPWBVBS-UHFFFAOYSA-N 0 3 342.487 3.402 50 0 EGAAHN CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)Nc1ccc(-c2ccco2)cc1 ZINC000097766367 219055326 /nfs/dbraw/zinc/05/53/26/219055326.db2.gz GLSVQIVEJYTETO-WMZOPIPTSA-N 0 3 343.427 3.176 50 0 EGAAHN CCOC(=O)[C@@H]1CCCN(Cc2c[nH]nc2-c2ccc(C)cc2)C1 ZINC000004678826 210244905 /nfs/dbraw/zinc/24/49/05/210244905.db2.gz VHLXMBFXHRYRPJ-MRXNPFEDSA-N 0 3 327.428 3.160 50 0 EGAAHN C/C(=C\c1ccco1)CN1CC[C@@H](CNC(=O)c2ccoc2C)C1 ZINC000067741619 215201179 /nfs/dbraw/zinc/20/11/79/215201179.db2.gz IISGPPZKLWABJV-DKGMDFAASA-N 0 3 328.412 3.336 50 0 EGAAHN Cc1c(NC(=O)C(C)(C)C)cccc1C(=O)NC[C@@H]1CCCN(C)C1 ZINC000067954306 215257247 /nfs/dbraw/zinc/25/72/47/215257247.db2.gz FVCBBAPJFMQSRY-HNNXBMFYSA-N 0 3 345.487 3.051 50 0 EGAAHN COc1ccc(CN2CCC[C@]3(C2)C(=O)Nc2ccccc23)c(F)c1 ZINC000072166411 216055343 /nfs/dbraw/zinc/05/53/43/216055343.db2.gz LCXPFQIJDBSIQV-HXUWFJFHSA-N 0 3 340.398 3.320 50 0 EGAAHN CC(C)Cc1ccc(CN2CCC[C@@H](Nc3nccc(N)n3)C2)cc1 ZINC000072423022 216211496 /nfs/dbraw/zinc/21/14/96/216211496.db2.gz YQYWGFGKCQCADS-GOSISDBHSA-N 0 3 339.487 3.334 50 0 EGAAHN Cc1ccc([C@H]2CN(C(=O)c3ccncc3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072439613 216233266 /nfs/dbraw/zinc/23/32/66/216233266.db2.gz SCHJVKKQVBTBOV-NJDAHSKKSA-N 0 3 347.462 3.092 50 0 EGAAHN Cc1ccsc1CCN[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000022118541 212277716 /nfs/dbraw/zinc/27/77/16/212277716.db2.gz HCNISADSMFSXGF-CQSZACIVSA-N 0 3 348.855 3.174 50 0 EGAAHN CSc1cccc(CN2CCN(CCC(C)C)[C@@H](CCO)C2)c1 ZINC000020914143 212186989 /nfs/dbraw/zinc/18/69/89/212186989.db2.gz BOWVWOHQROBXPE-SFHVURJKSA-N 0 3 336.545 3.323 50 0 EGAAHN Cc1ccc([C@@]2(CCN3CCN(C)CC3)CCOC(C)(C)C2)cc1 ZINC000020590537 212149860 /nfs/dbraw/zinc/14/98/60/212149860.db2.gz XTAQKVSAJJACBC-NRFANRHFSA-N 0 3 330.516 3.459 50 0 EGAAHN COc1nc(C)cc(C)c1CNC[C@@]1(c2ccc(F)cc2)CCOC1 ZINC000020560665 212148131 /nfs/dbraw/zinc/14/81/31/212148131.db2.gz KXFHFLJMUBKQNS-FQEVSTJZSA-N 0 3 344.430 3.294 50 0 EGAAHN CN1CCC(NC(=O)C(C)(C)Oc2ccc(C(C)(C)C)cc2)CC1 ZINC000012381709 211362293 /nfs/dbraw/zinc/36/22/93/211362293.db2.gz IWLNXKLVYMLMNF-UHFFFAOYSA-N 0 3 332.488 3.352 50 0 EGAAHN CCOc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000010450886 211174668 /nfs/dbraw/zinc/17/46/68/211174668.db2.gz QRKNIGZAGBNNNE-UHFFFAOYSA-N 0 3 338.451 3.480 50 0 EGAAHN C[C@@H](Cc1cccnc1)NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000095352213 218285753 /nfs/dbraw/zinc/28/57/53/218285753.db2.gz IRGLEDNMQUCOOE-KRWDZBQOSA-N 0 3 337.467 3.429 50 0 EGAAHN COCCN1C[C@H]2CC[C@@H]1CN(Cc1ccc(F)cc1Cl)C2 ZINC000095364054 218296743 /nfs/dbraw/zinc/29/67/43/218296743.db2.gz DOWXDYCLCNBEAA-XJKSGUPXSA-N 0 3 326.843 3.022 50 0 EGAAHN COCCN1C[C@H]2CC[C@@H]1CN(Cc1c[nH]nc1C1CCCCC1)C2 ZINC000095363378 218297218 /nfs/dbraw/zinc/29/72/18/218297218.db2.gz MWMVTEPQHYIIGG-QFBILLFUSA-N 0 3 346.519 3.000 50 0 EGAAHN Cn1nnnc1SCCNCc1ccc(-c2ccccc2Cl)o1 ZINC000004999739 210355569 /nfs/dbraw/zinc/35/55/69/210355569.db2.gz XOQXXZJGRFFGSJ-UHFFFAOYSA-N 0 3 349.847 3.005 50 0 EGAAHN CN(CCN1CCCCCC1)C(=O)c1ccccc1-c1ncc[nH]1 ZINC000097324057 219012154 /nfs/dbraw/zinc/01/21/54/219012154.db2.gz LVZBIAPJDNWAEP-UHFFFAOYSA-N 0 3 326.444 3.025 50 0 EGAAHN Cc1ccc2[nH]c3c(c2c1)CN(C(=O)CN1CCC(C)CC1)CC3 ZINC000004859920 210304567 /nfs/dbraw/zinc/30/45/67/210304567.db2.gz FTPPWPXWVKAQKS-UHFFFAOYSA-N 0 3 325.456 3.093 50 0 EGAAHN COc1cccc(CN2CCC[C@H](C(=O)N3CCCCCC3)C2)c1 ZINC000004746149 210269317 /nfs/dbraw/zinc/26/93/17/210269317.db2.gz BGQHZTFRCSQMNL-SFHVURJKSA-N 0 3 330.472 3.310 50 0 EGAAHN Cc1n[nH]c(C)c1CCN1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000299798736 258102292 /nfs/dbraw/zinc/10/22/92/258102292.db2.gz VPFWOOJGQOQRID-UHFFFAOYSA-N 0 3 333.863 3.206 50 0 EGAAHN Cc1cc(NC(=O)[C@@H]2CCCN(C)C2)n(Cc2ccccc2Cl)n1 ZINC000055060764 258061083 /nfs/dbraw/zinc/06/10/83/258061083.db2.gz ACTIZDUNFOZFSK-OAHLLOKOSA-N 0 3 346.862 3.174 50 0 EGAAHN CCOc1ccc(-c2ccc(CN(C)[C@@H](C)CC(=O)NC)o2)cc1 ZINC000215968742 258072347 /nfs/dbraw/zinc/07/23/47/258072347.db2.gz PFPGLJSBGZYNBP-AWEZNQCLSA-N 0 3 330.428 3.302 50 0 EGAAHN COc1cc2c(cc1OC)[C@H]1N(CC[C@]1(O)c1ccc(F)cc1)CC2 ZINC000004089748 286261232 /nfs/dbraw/zinc/26/12/32/286261232.db2.gz CHVNLMGGTMLHNX-UXHICEINSA-N 0 3 343.398 3.034 50 0 biogenic EGAAHN CCN1CCC(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)CC1 ZINC000016579911 275122378 /nfs/dbraw/zinc/12/23/78/275122378.db2.gz SXNGJMWXEALDTQ-OAHLLOKOSA-N 0 3 332.488 3.352 50 0 EGAAHN O=C(Cc1ccccn1)NC[C@@H](c1ccccc1)N1CCCCCC1 ZINC000244764154 455276711 /nfs/dbraw/zinc/27/67/11/455276711.db2.gz PCGYYEDLNBWGSG-FQEVSTJZSA-N 0 3 337.467 3.358 50 0 EGAAHN CCN1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1 ZINC000000561295 452624007 /nfs/dbraw/zinc/62/40/07/452624007.db2.gz AVAMQMUSIAFXCK-UHFFFAOYSA-N 0 3 327.403 3.220 50 0 EGAAHN CCOC(=O)C1CCN(CCCCOc2cccc(OC)c2)CC1 ZINC000006704098 452973165 /nfs/dbraw/zinc/97/31/65/452973165.db2.gz QMIZKTMYZKKWIA-UHFFFAOYSA-N 0 3 335.444 3.129 50 0 EGAAHN CCc1ccc(CNCCSc2nnnn2-c2ccccc2)cc1 ZINC000006719741 452975118 /nfs/dbraw/zinc/97/51/18/452975118.db2.gz RONMKERRXJDUFE-UHFFFAOYSA-N 0 3 339.468 3.107 50 0 EGAAHN CCOc1cccc(CN[C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)c1 ZINC000012711908 453393733 /nfs/dbraw/zinc/39/37/33/453393733.db2.gz SXEREBBIFSZHGQ-SFHVURJKSA-N 0 3 342.414 3.115 50 0 EGAAHN OCCOc1ccc(CN2CCC[C@@H](Nc3ccccc3)C2)cc1 ZINC000015078114 453554274 /nfs/dbraw/zinc/55/42/74/453554274.db2.gz ZUXOXUZOLITASO-LJQANCHMSA-N 0 3 326.440 3.134 50 0 EGAAHN O=C(C1CCN(Cc2ccccc2)CC1)N1CCc2ccccc2C1 ZINC000015856112 453587887 /nfs/dbraw/zinc/58/78/87/453587887.db2.gz DPIHKYQPYWACMQ-UHFFFAOYSA-N 0 3 334.463 3.484 50 0 EGAAHN c1cnn(CC[C@H]2CCCCN2Cc2cc(-c3ccccn3)no2)c1 ZINC000077355810 454096550 /nfs/dbraw/zinc/09/65/50/454096550.db2.gz HAYUAYAAWQUCNE-MRXNPFEDSA-N 0 3 337.427 3.378 50 0 EGAAHN CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)c2cccn2C)cc1 ZINC000077379294 454099618 /nfs/dbraw/zinc/09/96/18/454099618.db2.gz MVLCFYHXTAVMNA-SFHVURJKSA-N 0 3 325.456 3.454 50 0 EGAAHN O=C1CC[C@]2(CCCN(CCOc3ccc(F)cc3)C2)CN1C1CC1 ZINC000077459821 454108413 /nfs/dbraw/zinc/10/84/13/454108413.db2.gz BALSVRWUAXWMRW-FQEVSTJZSA-N 0 3 346.446 3.072 50 0 EGAAHN CCOC(=O)C[C@H]1CCCCN1Cc1nc2ccccc2nc1C ZINC000077539424 454119946 /nfs/dbraw/zinc/11/99/46/454119946.db2.gz KLLXQDWKHOHLLN-OAHLLOKOSA-N 0 3 327.428 3.246 50 0 EGAAHN O=C(c1cccnc1)N1CCC[C@H]1[C@H]1CCCN1Cc1ccccc1 ZINC000069619149 454125464 /nfs/dbraw/zinc/12/54/64/454125464.db2.gz QPYOWBBLJIDUDA-UXHICEINSA-N 0 3 335.451 3.351 50 0 EGAAHN Clc1ccc(-c2nnc(CN3CCC(c4ccn[nH]4)CC3)o2)cc1 ZINC000058208901 454171138 /nfs/dbraw/zinc/17/11/38/454171138.db2.gz PCELDTPILHVYOC-UHFFFAOYSA-N 0 3 343.818 3.493 50 0 EGAAHN CN(C)CCOc1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1 ZINC000046721886 454276932 /nfs/dbraw/zinc/27/69/32/454276932.db2.gz JJKIGXHRKWKFPP-UHFFFAOYSA-N 0 3 337.423 3.290 50 0 EGAAHN c1ccc(CN2CCC(Cc3nc([C@H]4CCOC4)no3)CC2)cc1 ZINC000096139695 454291388 /nfs/dbraw/zinc/29/13/88/454291388.db2.gz WYGKEUOUNADHAA-KRWDZBQOSA-N 0 3 327.428 3.028 50 0 EGAAHN Cc1nnc2n1C[C@H](NCc1ccc(-c3ccccc3F)o1)CC2 ZINC000097199480 454421888 /nfs/dbraw/zinc/42/18/88/454421888.db2.gz WHIHMOHNLIIIKA-CYBMUJFWSA-N 0 3 326.375 3.090 50 0 EGAAHN CC[C@@]1(CO)CCCN(Cc2ccccc2-n2nc(C)cc2C)C1 ZINC000091364574 454430232 /nfs/dbraw/zinc/43/02/32/454430232.db2.gz SVHNEZDOXXGXMF-HXUWFJFHSA-N 0 3 327.472 3.474 50 0 EGAAHN CC(C)[N@H+](C)Cc1ccc(-c2nc(-c3cccnc3)cc(=O)[n-]2)cc1 ZINC000048330204 454474445 /nfs/dbraw/zinc/47/44/45/454474445.db2.gz ROYJDROHYJFGQT-UHFFFAOYSA-N 0 3 334.423 3.339 50 0 EGAAHN CC(C)[N@@H+](C)Cc1ccc(-c2nc(-c3cccnc3)cc(=O)[n-]2)cc1 ZINC000048330204 454474452 /nfs/dbraw/zinc/47/44/52/454474452.db2.gz ROYJDROHYJFGQT-UHFFFAOYSA-N 0 3 334.423 3.339 50 0 EGAAHN COc1ccccc1OCCN1CCC[C@@H](Cc2cccnc2)C1 ZINC000065393595 454559063 /nfs/dbraw/zinc/55/90/63/454559063.db2.gz AMSDLFBOFSAXEC-SFHVURJKSA-N 0 3 326.440 3.424 50 0 EGAAHN Cc1cccc(NC(=O)CN[C@@H]2CCN(Cc3ccccc3)C2)c1C ZINC000065436029 454566969 /nfs/dbraw/zinc/56/69/69/454566969.db2.gz UKQLDMZHPLWLNJ-LJQANCHMSA-N 0 3 337.467 3.106 50 0 EGAAHN CC(C)CN1CCN(c2ccnc3cc(Cl)ccc32)C[C@H]1CCO ZINC000106945203 454735220 /nfs/dbraw/zinc/73/52/20/454735220.db2.gz NTBJEYDUWFPKSP-MRXNPFEDSA-N 0 3 347.890 3.417 50 0 EGAAHN CN(Cc1cnc(SCc2ccccc2)nc1)C1CCOCC1 ZINC000215691421 456026361 /nfs/dbraw/zinc/02/63/61/456026361.db2.gz HWOPPDBHGUKDLU-UHFFFAOYSA-N 0 3 329.469 3.380 50 0 EGAAHN CCCO[C@@H]1CCCN(C(=O)C2(c3ccccc3)CCN(C)CC2)C1 ZINC000221440347 456043359 /nfs/dbraw/zinc/04/33/59/456043359.db2.gz ZBBNTWFJJATOMD-LJQANCHMSA-N 0 3 344.499 3.068 50 0 EGAAHN CCN1CCC[C@@H]1CNC(=O)C[C@@H](c1ccsc1)n1cccc1 ZINC000263588847 456178347 /nfs/dbraw/zinc/17/83/47/456178347.db2.gz ZEHYKHOEBGWMCH-SJORKVTESA-N 0 3 331.485 3.130 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CCc1ccc(CN2CCN(Cc3ccccc3)[C@H](CCO)C2)cc1 ZINC000039421079 213235544 /nfs/dbraw/zinc/23/55/44/213235544.db2.gz JZYVPJSXOBPTSA-JOCHJYFZSA-N 0 3 338.495 3.318 50 0 EGAAHN CC(C)(C)c1ccc(C(=O)CCCN2CCC[C@@](O)(CO)CC2)cc1 ZINC000072128067 216019840 /nfs/dbraw/zinc/01/98/40/216019840.db2.gz XEGUOMYHTLMSCV-NRFANRHFSA-N 0 3 347.499 3.156 50 0 EGAAHN CCCNC(=O)C1(N(C)CCc2ccccc2)Cc2ccccc2C1 ZINC000072120961 216013345 /nfs/dbraw/zinc/01/33/45/216013345.db2.gz PMXKTEAEHREFFU-UHFFFAOYSA-N 0 3 336.479 3.225 50 0 EGAAHN C[C@@H](C1CCN(Cc2ccc(F)c(Cl)c2)CC1)N1CCOCC1 ZINC000072421355 216208934 /nfs/dbraw/zinc/20/89/34/216208934.db2.gz NDDLJDIHMCHJLB-AWEZNQCLSA-N 0 3 340.870 3.412 50 0 EGAAHN CN(CCN1CCCCCC1)C(=O)c1ccc(CCC(C)(C)O)cc1 ZINC000072422726 216212212 /nfs/dbraw/zinc/21/22/12/216212212.db2.gz NYRKJNGCABTGOL-UHFFFAOYSA-N 0 3 346.515 3.338 50 0 EGAAHN Cc1nn2c(c1-c1ccccc1)NC(=O)C2CC(=O)Nc1ccccc1 ZINC000072453069 216241161 /nfs/dbraw/zinc/24/11/61/216241161.db2.gz NWLJSYOCFPYDFR-INIZCTEOSA-N 0 3 346.390 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/nfs/dbraw/zinc/08/86/27/258088627.db2.gz SDWXFXWFOCGPSU-JCGIZDLHSA-N 0 3 339.863 3.243 50 0 EGAAHN CCOc1cc(CN2CCC(C(=O)N3CCCCC3)CC2)ccc1O ZINC000004552919 258050989 /nfs/dbraw/zinc/05/09/89/258050989.db2.gz IXYAOCRPHIRGOR-UHFFFAOYSA-N 0 3 346.471 3.015 50 0 EGAAHN CCN(CC)CCOC(=O)[C@](O)(c1ccccc1)C1CCCCC1 ZINC000002304600 276099620 /nfs/dbraw/zinc/09/96/20/276099620.db2.gz YXUBHIRQBSIPFE-FQEVSTJZSA-N 0 3 333.472 3.340 50 0 in-vitro EGAAHN COc1ccc2ccccc2c1[C@@H]1C[C@H]2CN(C)C(=O)[C@]23CCCN13 ZINC000012584503 278000916 /nfs/dbraw/zinc/00/09/16/278000916.db2.gz QHBCKVOHGMKIIN-WJPUGNRLSA-N 0 3 336.435 3.216 50 0 EGAAHN CCn1c(C)cc(O)c([C@H](c2ccccn2)N2CCC(C)CC2)c1=O ZINC000022697390 288675993 /nfs/dbraw/zinc/67/59/93/288675993.db2.gz JSMOEWNMUMVRSE-IBGZPJMESA-N 0 3 341.455 3.099 50 0 EGAAHN CCc1nnc(NC(=O)CCN2CCC[C@H]2c2ccccc2)s1 ZINC000244898983 455276282 /nfs/dbraw/zinc/27/62/82/455276282.db2.gz ZEYRVPNELZSVPO-AWEZNQCLSA-N 0 3 330.457 3.266 50 0 EGAAHN CCN(CC)C[C@H](O)Cn1c2ccc(C)cc2c2c1C(=O)CCC2 ZINC000000074823 452501165 /nfs/dbraw/zinc/50/11/65/452501165.db2.gz JDAXYMGPQSIKGJ-HNNXBMFYSA-N 0 3 328.456 3.171 50 0 EGAAHN COc1ccccc1CC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000000087343 452504366 /nfs/dbraw/zinc/50/43/66/452504366.db2.gz FSSMCNONYPJAGO-UHFFFAOYSA-N 0 3 338.451 3.019 50 0 EGAAHN CC(=O)CCC(=O)N(C)C[C@H]1CCCN(CCc2ccccc2C)C1 ZINC000012572891 453376214 /nfs/dbraw/zinc/37/62/14/453376214.db2.gz PJAGYRPZIMUDAJ-LJQANCHMSA-N 0 3 344.499 3.077 50 0 EGAAHN O=C(CC[C@@H]1CCCN(Cc2cccc3c2OCO3)C1)N1CCCC1 ZINC000014953711 453549623 /nfs/dbraw/zinc/54/96/23/453549623.db2.gz JYCYIRIQAVIXMQ-INIZCTEOSA-N 0 3 344.455 3.030 50 0 EGAAHN Cc1ccccc1OCC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000027664238 453819856 /nfs/dbraw/zinc/81/98/56/453819856.db2.gz QFCQUZPMZXBRQD-INIZCTEOSA-N 0 3 344.480 3.389 50 0 EGAAHN COc1ccc([C@@H](CNC(=O)Cc2ccccc2)N2CCCC2)cc1 ZINC000027747917 453820131 /nfs/dbraw/zinc/82/01/31/453820131.db2.gz JLJFFBXKYSDBJK-HXUWFJFHSA-N 0 3 338.451 3.191 50 0 biogenic EGAAHN O=C(NCC1CCN(Cc2ccsc2)CC1)c1cc(C2CC2)on1 ZINC000075170341 453868560 /nfs/dbraw/zinc/86/85/60/453868560.db2.gz DUTDHTQMBAGFAZ-UHFFFAOYSA-N 0 3 345.468 3.256 50 0 EGAAHN O=C(/C=C/c1cccs1)N1CCCSC[C@H]1CN1CCCC1 ZINC000085473142 454030836 /nfs/dbraw/zinc/03/08/36/454030836.db2.gz LYPFRQPJLIHIQU-LQYUOIDQSA-N 0 3 336.526 3.191 50 0 EGAAHN CCn1c(CN(C)C)nnc1C1CCN(Cc2ccc(C)s2)CC1 ZINC000077321307 454091119 /nfs/dbraw/zinc/09/11/19/454091119.db2.gz OUWXPBNJZNHIAK-UHFFFAOYSA-N 0 3 347.532 3.109 50 0 EGAAHN C[C@@H](c1ccc(-c2nccn2CCC(=O)N2CCCC2)cc1)N(C)C ZINC000077355578 454096450 /nfs/dbraw/zinc/09/64/50/454096450.db2.gz AAJNQKLDNQBYBT-INIZCTEOSA-N 0 3 340.471 3.185 50 0 EGAAHN O=C(NCc1cccc(F)c1)C1CCN(Cc2ccccc2)CC1 ZINC000057155792 454107266 /nfs/dbraw/zinc/10/72/66/454107266.db2.gz PEBVRJNVNQYSFZ-UHFFFAOYSA-N 0 3 326.415 3.354 50 0 EGAAHN O=C(c1cccnc1)N1CCC[C@H]1[C@@H]1CCCN1Cc1ccccc1 ZINC000069619153 454125633 /nfs/dbraw/zinc/12/56/33/454125633.db2.gz QPYOWBBLJIDUDA-PMACEKPBSA-N 0 3 335.451 3.351 50 0 EGAAHN O=C(c1ccccc1)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000071759546 454215164 /nfs/dbraw/zinc/21/51/64/454215164.db2.gz FQSOQPSGTLIMBD-PWRODBHTSA-N 0 3 332.447 3.389 50 0 EGAAHN CN(CCO)CCC(=O)N1c2ccccc2Sc2ccccc21 ZINC000071770712 454217068 /nfs/dbraw/zinc/21/70/68/454217068.db2.gz SZTNPZKCGBLYAE-UHFFFAOYSA-N 0 3 328.437 3.130 50 0 EGAAHN Cc1nc(-c2ccc(CCC(C)(C)O)cc2)n(C2CCN(C)CC2)n1 ZINC000096130523 454289469 /nfs/dbraw/zinc/28/94/69/454289469.db2.gz SFZPKVXYOGGKMM-UHFFFAOYSA-N 0 3 342.487 3.224 50 0 EGAAHN CC(C)N1CCN(c2ccc(-c3ccc4[nH]nc(N)c4c3)cc2)CC1 ZINC000096164517 454296959 /nfs/dbraw/zinc/29/69/59/454296959.db2.gz MMUQHHHHTDHFMX-UHFFFAOYSA-N 0 3 335.455 3.343 50 0 EGAAHN OCCCCCCN1C[C@H]2CC[C@@H]1CN(Cc1ccc(F)cc1)C2 ZINC000091792728 454471926 /nfs/dbraw/zinc/47/19/26/454471926.db2.gz QLIITKBCFVUSQD-AZUAARDMSA-N 0 3 334.479 3.275 50 0 EGAAHN OCc1ccc(C[C@@H]2CCN(Cc3ccc4nsnc4c3)C2)cc1 ZINC000092022117 454503402 /nfs/dbraw/zinc/50/34/02/454503402.db2.gz XRQUNRIDRKYKDG-KRWDZBQOSA-N 0 3 339.464 3.248 50 0 EGAAHN O=C(NCC1=CCCN([C@H]2C=CCCC2)C1)c1ccnc(Cl)c1 ZINC000065387485 454557080 /nfs/dbraw/zinc/55/70/80/454557080.db2.gz LHUVWGQDBDHUFW-INIZCTEOSA-N 0 3 331.847 3.206 50 0 EGAAHN Cc1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(C)C3)c2cc(Cl)ccc2n1 ZINC000216243612 456029970 /nfs/dbraw/zinc/02/99/70/456029970.db2.gz FJJDIIHIENYAJK-DZGCQCFKSA-N 0 3 343.858 3.363 50 0 EGAAHN O=C(c1ccc(OC(F)F)cc1)N1CCCC[C@H]1CN1CCCC1 ZINC000220002191 456038057 /nfs/dbraw/zinc/03/80/57/456038057.db2.gz WTILNMPKYWSZSM-HNNXBMFYSA-N 0 3 338.398 3.379 50 0 EGAAHN COCCCN1CCCN(C(=O)c2csc3ccccc23)CC1 ZINC000363633180 457390215 /nfs/dbraw/zinc/39/02/15/457390215.db2.gz NCINDQYRXIVANE-UHFFFAOYSA-N 0 3 332.469 3.086 50 0 EGAAHN CO[C@H]1CC[C@@]2(OC)CCN(Cc3cnn(-c4ccccc4)c3)[C@H]2C1 ZINC000426361963 457812685 /nfs/dbraw/zinc/81/26/85/457812685.db2.gz PPWWWFPCYLDCRH-SLFFLAALSA-N 0 3 341.455 3.031 50 0 EGAAHN CO[C@]12CCN(Cc3cccc(C)n3)[C@H]1C[C@H](OCC1CC1)CC2 ZINC000426596652 457860542 /nfs/dbraw/zinc/86/05/42/457860542.db2.gz STAJAFHCTDJGTM-HSALFYBXSA-N 0 3 330.472 3.329 50 0 EGAAHN Cc1cc(C[C@@H](C)NC(=O)c2ccc(-c3ccc(C)nc3N)cc2)n[nH]1 ZINC000426690359 457878767 /nfs/dbraw/zinc/87/87/67/457878767.db2.gz VIGZCLFYUGZBGA-CYBMUJFWSA-N 0 3 349.438 3.032 50 0 EGAAHN Cc1cccnc1[C@@H](NC(=O)C1(N2CCCC2)CCCC1)C1CC1 ZINC000534632458 459339623 /nfs/dbraw/zinc/33/96/23/459339623.db2.gz IUMRYBFOOHWCMZ-SFHVURJKSA-N 0 3 327.472 3.366 50 0 EGAAHN Cc1n[nH]c(C)c1[C@@H](C)NC(=O)C1(N2CCCCC2)CCCCC1 ZINC000584899210 459820769 /nfs/dbraw/zinc/82/07/69/459820769.db2.gz BRJGTPNBLKOSBR-CQSZACIVSA-N 0 3 332.492 3.393 50 0 EGAAHN CN1CC[C@H](Cc2nc(-c3ccc(N4CCCCC4)cc3)no2)C1 ZINC000685942341 550456453 /nfs/dbraw/zinc/45/64/53/550456453.db2.gz ONEIDKSUCADAOY-OAHLLOKOSA-N 0 3 326.444 3.221 50 0 EGAAHN CCN(Cc1ccncc1)[C@H]1CCCN(Cc2nc3ccccc3[nH]2)C1 ZINC000022910551 1291227815 /nfs/dbraw/zinc/22/78/15/1291227815.db2.gz ITNQRXYRPNWQJM-SFHVURJKSA-N 0 3 349.482 3.444 50 0 EGAAHN CC[C@H](C(=O)N1CCN(c2cc(Cl)ccc2C)CC1)N(C)CC ZINC000822549844 1320096881 /nfs/dbraw/zinc/09/68/81/1320096881.db2.gz GBPIPJDDGATMGG-MRXNPFEDSA-N 0 3 337.895 3.027 50 0 EGAAHN CCc1ccc(CN2CCC(CNC(=O)c3cccnc3C)CC2)o1 ZINC000823527614 1320185209 /nfs/dbraw/zinc/18/52/09/1320185209.db2.gz VHROYUKOFIMPKU-UHFFFAOYSA-N 0 3 341.455 3.187 50 0 EGAAHN CC[C@@H](NC(=O)C1CCN(Cc2ccco2)CC1)c1cccc(C)n1 ZINC000952988598 1334631218 /nfs/dbraw/zinc/63/12/18/1334631218.db2.gz OMWAOGCKYZNHAL-GOSISDBHSA-N 0 3 341.455 3.463 50 0 EGAAHN CCOC(=O)[C@H]1CCCN(Cc2c[nH]nc2-c2ccc(C)cc2)C1 ZINC000004678827 210245071 /nfs/dbraw/zinc/24/50/71/210245071.db2.gz VHLXMBFXHRYRPJ-INIZCTEOSA-N 0 3 327.428 3.160 50 0 EGAAHN CCOc1ccc(N2C(=O)C[C@H](NC3CCCCCCC3)C2=O)cc1 ZINC000004648926 210237508 /nfs/dbraw/zinc/23/75/08/210237508.db2.gz XPTZHYXEWPNOIS-SFHVURJKSA-N 0 3 344.455 3.420 50 0 EGAAHN O=C(NCCNCc1c[nH]c2ccccc12)c1ccccc1Cl ZINC000004498152 210205623 /nfs/dbraw/zinc/20/56/23/210205623.db2.gz AAEIPSDJKVUNSE-UHFFFAOYSA-N 0 3 327.815 3.341 50 0 EGAAHN O=C(NC12CC3CC(CC(C3)C1)C2)[C@H]1[C@@H]2CN(Cc3ccoc3)C[C@@H]21 ZINC000102809226 219231683 /nfs/dbraw/zinc/23/16/83/219231683.db2.gz AQPJPKXRZMKLHG-UUXOXCDMSA-N 0 3 340.467 3.042 50 0 EGAAHN O=C(NC[C@@H]1CCN(Cc2ccsc2)C1)c1onc2ccccc21 ZINC000067726458 215195573 /nfs/dbraw/zinc/19/55/73/215195573.db2.gz LNQAFJFFIISBET-ZDUSSCGKSA-N 0 3 341.436 3.141 50 0 EGAAHN OC[C@@]1(O)CCCN(Cc2sc3ccccc3c2Cl)CC1 ZINC000072137100 216024494 /nfs/dbraw/zinc/02/44/94/216024494.db2.gz JUGVZOCFBIMIGH-MRXNPFEDSA-N 0 3 325.861 3.264 50 0 EGAAHN C/C=C/CC(=O)N1C[C@H](c2ccccc2OC)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072169416 216060580 /nfs/dbraw/zinc/06/05/80/216060580.db2.gz AOLBMDGQMRORIZ-PSWPHCPBSA-N 0 3 340.467 3.050 50 0 EGAAHN Fc1ccc(CN2CCC[C@@]3(CCN(c4cnccn4)C3)C2)cc1 ZINC000072411714 216203900 /nfs/dbraw/zinc/20/39/00/216203900.db2.gz CSCLMGAWNAHCKI-LJQANCHMSA-N 0 3 326.419 3.108 50 0 EGAAHN C[C@H](C1CCN(Cc2ccc(F)c(F)c2F)CC1)N1CCOCC1 ZINC000072473011 216250908 /nfs/dbraw/zinc/25/09/08/216250908.db2.gz HYHUBTYVABEBIJ-CYBMUJFWSA-N 0 3 342.405 3.037 50 0 EGAAHN Cc1nn(CCO)cc1CN1CCC(Sc2ccccc2C)CC1 ZINC000072478065 216257552 /nfs/dbraw/zinc/25/75/52/216257552.db2.gz HJXLCVWMRNURIQ-UHFFFAOYSA-N 0 3 345.512 3.249 50 0 EGAAHN OCC[C@H]1CN(CCCc2ccccc2)CCN1Cc1ccccc1 ZINC000022932931 212335675 /nfs/dbraw/zinc/33/56/75/212335675.db2.gz MYWSYHYVVOEAGJ-QFIPXVFZSA-N 0 3 338.495 3.188 50 0 EGAAHN COCCc1noc([C@H]2CCCN(Cc3cc4ccccc4o3)C2)n1 ZINC000215141547 241107764 /nfs/dbraw/zinc/10/77/64/241107764.db2.gz FUVFCTRLNRVATE-HNNXBMFYSA-N 0 3 341.411 3.384 50 0 EGAAHN CCc1nccc(CN2CCC[C@H](c3nc(-c4ccccc4)no3)C2)n1 ZINC000216301901 241180052 /nfs/dbraw/zinc/18/00/52/241180052.db2.gz YQKYAYPYQUTNMZ-INIZCTEOSA-N 0 3 349.438 3.469 50 0 EGAAHN Fc1cccc([C@@]2(CN3CCN(CC4CCCC4)CC3)CCOC2)c1 ZINC000020996972 212196097 /nfs/dbraw/zinc/19/60/97/212196097.db2.gz VTFXVCLXRJEGHR-OAQYLSRUSA-N 0 3 346.490 3.292 50 0 EGAAHN O=c1cc(CN2CCC(n3cc(C4CCCCC4)nn3)CC2)cc[nH]1 ZINC000020856106 212177452 /nfs/dbraw/zinc/17/74/52/212177452.db2.gz YZXTWKNMHLLYLB-UHFFFAOYSA-N 0 3 341.459 3.264 50 0 EGAAHN COc1cc(C(C)=O)ccc1OCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000020653400 212160021 /nfs/dbraw/zinc/16/00/21/212160021.db2.gz HVDNOTGXSYFVOM-HUUCEWRRSA-N 0 3 335.444 3.166 50 0 EGAAHN COCc1ccc(CN[C@@H]2CCCN(Cc3cccc(OC)c3)C2)o1 ZINC000020600850 212151718 /nfs/dbraw/zinc/15/17/18/212151718.db2.gz UHZJJSSROCITNH-QGZVFWFLSA-N 0 3 344.455 3.189 50 0 EGAAHN COc1ccc(C(=O)[C@H]2CCCN(CCCSC)C2)c(OC)c1 ZINC000020600328 212151366 /nfs/dbraw/zinc/15/13/66/212151366.db2.gz LYKLNUCFHJCHIB-AWEZNQCLSA-N 0 3 337.485 3.352 50 0 EGAAHN CC[C@@H](C)N1CCN(Cc2cc(Br)ccc2OC)CC1 ZINC000019362938 212021392 /nfs/dbraw/zinc/02/13/92/212021392.db2.gz MJSJBRSJEVXTHY-CYBMUJFWSA-N 0 3 341.293 3.374 50 0 EGAAHN COc1cc(Cl)cc(CN[C@@H]2COc3ccccc3C2)c1OC ZINC000019227709 212007224 /nfs/dbraw/zinc/00/72/24/212007224.db2.gz LUMLENRSHIVJOM-HNNXBMFYSA-N 0 3 333.815 3.451 50 0 EGAAHN O=C(/C=C/c1ccncc1)N[C@@H]1CCCN(CCCc2ccccc2)C1 ZINC000012448632 211386275 /nfs/dbraw/zinc/38/62/75/211386275.db2.gz TVJYKWVVQYAYGH-RQWLHQTBSA-N 0 3 349.478 3.308 50 0 EGAAHN COc1cccc(CN2CCC(=O)N(Cc3ccccc3C)CC2)c1 ZINC000012182344 211311765 /nfs/dbraw/zinc/31/17/65/211311765.db2.gz YXUOZDDIRYHKRP-UHFFFAOYSA-N 0 3 338.451 3.238 50 0 EGAAHN FC(F)(F)c1ccnc(NCCN2CC[C@H](c3ccccc3)C2)n1 ZINC000091644455 218037471 /nfs/dbraw/zinc/03/74/71/218037471.db2.gz FTBXJWKEGAUDPL-AWEZNQCLSA-N 0 3 336.361 3.397 50 0 EGAAHN CN(C[C@@H]1CCCN(CCc2ccccc2F)C1)C(=O)c1ccoc1 ZINC000011769412 211246353 /nfs/dbraw/zinc/24/63/53/211246353.db2.gz UJCWGLZPNWKEKN-INIZCTEOSA-N 0 3 344.430 3.445 50 0 EGAAHN COCC[C@]1(O)CCN(Cc2cc(-c3ccc(C)cc3)no2)C[C@H]1C ZINC000091713508 218053347 /nfs/dbraw/zinc/05/33/47/218053347.db2.gz OBPWUWGKODZSME-OXQOHEQNSA-N 0 3 344.455 3.259 50 0 EGAAHN Cc1cccnc1NCCNCc1cc(=O)c2cccc(Cl)c2[nH]1 ZINC000091997546 218100569 /nfs/dbraw/zinc/10/05/69/218100569.db2.gz PDEOXROSNATJQK-UHFFFAOYSA-N 0 3 342.830 3.499 50 0 EGAAHN Cc1nc(C2CCN(Cc3c[nH]nc3-c3ccc(F)cc3)CC2)n[nH]1 ZINC000092736820 218163804 /nfs/dbraw/zinc/16/38/04/218163804.db2.gz SLUJUVKKSZHCRP-UHFFFAOYSA-N 0 3 340.406 3.022 50 0 EGAAHN Cc1n[nH]c(C2CCN(Cc3c[nH]nc3-c3ccc(F)cc3)CC2)n1 ZINC000092736820 218163806 /nfs/dbraw/zinc/16/38/06/218163806.db2.gz SLUJUVKKSZHCRP-UHFFFAOYSA-N 0 3 340.406 3.022 50 0 EGAAHN CC(C)[C@H]1C[C@](CC(=O)NCCN(C)C)(Cc2ccccc2)CCO1 ZINC000009576315 211104104 /nfs/dbraw/zinc/10/41/04/211104104.db2.gz HGFFXCQYWZSSNI-TZIWHRDSSA-N 0 3 346.515 3.118 50 0 EGAAHN C[C@H](Cc1cccnc1)NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000095352214 218286396 /nfs/dbraw/zinc/28/63/96/218286396.db2.gz IRGLEDNMQUCOOE-QGZVFWFLSA-N 0 3 337.467 3.429 50 0 EGAAHN C[C@@H]1CN(C2CCN(c3nccc4ccccc43)CC2)C[C@H](C)O1 ZINC000095357954 218291974 /nfs/dbraw/zinc/29/19/74/218291974.db2.gz OXMKLMZEPITSJD-IYBDPMFKSA-N 0 3 325.456 3.313 50 0 EGAAHN CN1CC2(CCN(c3ccncc3)CC2)C[C@H](c2ccccc2)C1=O ZINC000095383694 218316009 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452874861 /nfs/dbraw/zinc/87/48/61/452874861.db2.gz DYAAEDJEASEHBW-UHFFFAOYSA-N 0 3 339.288 3.004 50 0 EGAAHN CN(C)[C@H]1CCCCN(C(=O)CCSCc2ccc(F)cc2)C1 ZINC000082099015 453923719 /nfs/dbraw/zinc/92/37/19/453923719.db2.gz UHNWFVGYFDWLNU-KRWDZBQOSA-N 0 3 338.492 3.392 50 0 EGAAHN CN(C)Cc1nnc(C2CCN(Cc3cccs3)CC2)n1C1CC1 ZINC000082115917 453924468 /nfs/dbraw/zinc/92/44/68/453924468.db2.gz CRBPSVXSOPJXGP-UHFFFAOYSA-N 0 3 345.516 3.116 50 0 EGAAHN CC[C@H](CO)N(Cc1ccco1)Cc1ccccc1Cn1cccn1 ZINC000055392927 453980871 /nfs/dbraw/zinc/98/08/71/453980871.db2.gz NSDRVLKVYKFUQH-LJQANCHMSA-N 0 3 339.439 3.298 50 0 EGAAHN NC(=O)COc1cccc(CN2CCCCC[C@H]2c2ccco2)c1 ZINC000076805194 454038658 /nfs/dbraw/zinc/03/86/58/454038658.db2.gz HZNGJKZFKJVXIB-KRWDZBQOSA-N 0 3 328.412 3.261 50 0 EGAAHN Cc1cc(C(=O)N2CCCC[C@@H]2c2ccc(CN(C)C)cc2)[nH]n1 ZINC000077357733 454096888 /nfs/dbraw/zinc/09/68/88/454096888.db2.gz QTFFVCQWQKXTGM-GOSISDBHSA-N 0 3 326.444 3.147 50 0 EGAAHN Cc1cccc(-n2ncc3c2CCC[C@H]3NCC(C)(C)CO)c1C 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ZINC000071735675 454212100 /nfs/dbraw/zinc/21/21/00/454212100.db2.gz KKHINCAFZICUNW-AWEZNQCLSA-N 0 3 340.389 3.368 50 0 EGAAHN c1cnn(CCn2ccnc2-c2ccc(CN3CCCCC3)s2)c1 ZINC000071758770 454215466 /nfs/dbraw/zinc/21/54/66/454215466.db2.gz FJUDWKOYWSVXDH-UHFFFAOYSA-N 0 3 341.484 3.494 50 0 EGAAHN C[C@H]1CCCCN1Cc1cccc(NC(=O)NCC2(C)COC2)c1 ZINC000095500883 454222347 /nfs/dbraw/zinc/22/23/47/454222347.db2.gz JUMWHNGBJIEJNX-HNNXBMFYSA-N 0 3 331.460 3.219 50 0 EGAAHN O=C(NCC1(O)CCCCC1)Nc1cccc(CN2CCCCC2)c1 ZINC000095507916 454223785 /nfs/dbraw/zinc/22/37/85/454223785.db2.gz PEKWEKBDQZJYPR-UHFFFAOYSA-N 0 3 345.487 3.489 50 0 EGAAHN C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCSCC4)[C@H]3C=C12 ZINC000061992797 454364344 /nfs/dbraw/zinc/36/43/44/454364344.db2.gz UREJTNAIOFLZPI-MPZAXGONSA-N 0 3 335.513 3.349 50 0 biogenic EGAAHN CN(C)Cc1ccccc1CNC(=O)Nc1ccccc1-n1cccn1 ZINC000048151379 454448859 /nfs/dbraw/zinc/44/88/59/454448859.db2.gz BDIUIAGDRPOEFD-UHFFFAOYSA-N 0 3 349.438 3.256 50 0 EGAAHN CC(=O)Nc1ccnn1CC1=CCCN(Cc2cc(C)cc(C)c2)C1 ZINC000065409015 454561957 /nfs/dbraw/zinc/56/19/57/454561957.db2.gz BLARWWOFXCVNQS-UHFFFAOYSA-N 0 3 338.455 3.291 50 0 EGAAHN O=C(c1ccc(OC(F)F)cc1)N1CCCC[C@@H]1CN1CCCC1 ZINC000220002133 456037594 /nfs/dbraw/zinc/03/75/94/456037594.db2.gz WTILNMPKYWSZSM-OAHLLOKOSA-N 0 3 338.398 3.379 50 0 EGAAHN O=C(N[C@@H](CO)c1ccccc1)C1(N2CCCCC2)CCCCC1 ZINC000426388351 457819761 /nfs/dbraw/zinc/81/97/61/457819761.db2.gz CIGFWVVNXKLKRW-SFHVURJKSA-N 0 3 330.472 3.025 50 0 EGAAHN OCCn1ccc([C@H]2CCCN(Cc3cc4ccccc4o3)C2)n1 ZINC000426486101 457840431 /nfs/dbraw/zinc/84/04/31/457840431.db2.gz XVZUDWBHOANZSF-INIZCTEOSA-N 0 3 325.412 3.001 50 0 EGAAHN C[C@@H]1CCCN(CCNC(=O)N(C)Cc2cccc3ncccc23)C1 ZINC000534663400 459343926 /nfs/dbraw/zinc/34/39/26/459343926.db2.gz BUGVTPWWSIKBCX-MRXNPFEDSA-N 0 3 340.471 3.108 50 0 EGAAHN CCN1CC[C@@H](NC(=O)N2CCC(Sc3ccc(C)cc3)CC2)C1 ZINC000584897116 459820883 /nfs/dbraw/zinc/82/08/83/459820883.db2.gz DVDYFLAXXSXFGJ-MRXNPFEDSA-N 0 3 347.528 3.355 50 0 EGAAHN CN1CCC[C@H](c2nc(Cc3cccnc3)nn2Cc2ccccc2)C1 ZINC000670444692 548215646 /nfs/dbraw/zinc/21/56/46/548215646.db2.gz GKAOMHSVRAOGAX-IBGZPJMESA-N 0 3 347.466 3.121 50 0 EGAAHN CCCn1cc(CN2CCC[C@@H](c3nnc4ccccn43)C2)c(C)n1 ZINC000670460732 548219583 /nfs/dbraw/zinc/21/95/83/548219583.db2.gz VRZBZVYPEABQLU-MRXNPFEDSA-N 0 3 338.459 3.024 50 0 EGAAHN CC(=O)CCc1ccc(OCCCCN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000020639451 1291195002 /nfs/dbraw/zinc/19/50/02/1291195002.db2.gz CGUXEYUIMGMKLL-QZTJIDSGSA-N 0 3 333.472 3.476 50 0 EGAAHN Cc1nccn1Cc1ccccc1NC(=O)CN(C)C1CCCC1 ZINC000952977371 1334628601 /nfs/dbraw/zinc/62/86/01/1334628601.db2.gz PYNKGNRHUTWZMS-UHFFFAOYSA-N 0 3 326.444 3.053 50 0 EGAAHN Cc1c(NC(=O)c2ccc(CN(C)C)cc2)cccc1-c1nncn1C ZINC000952980065 1334629293 /nfs/dbraw/zinc/62/92/93/1334629293.db2.gz HBKUZKHLOSFBLF-UHFFFAOYSA-N 0 3 349.438 3.104 50 0 EGAAHN CC(C)N1C[C@H](CN2CCN(c3cccc(Cl)c3)CC2)CCC1=O ZINC001772807415 1441417396 /nfs/dbraw/zinc/41/73/96/1441417396.db2.gz 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/nfs/dbraw/zinc/17/41/36/215174136.db2.gz DTLLZKZQCUBXNA-KRWDZBQOSA-N 0 3 334.847 3.164 50 0 EGAAHN C=Cc1ccc(C(=O)NC[C@H]2CCN(Cc3cccc(O)c3)C2)cc1 ZINC000067934355 215252434 /nfs/dbraw/zinc/25/24/34/215252434.db2.gz LKTJKMNFQGOSIO-GOSISDBHSA-N 0 3 336.435 3.287 50 0 EGAAHN Cc1ccc(CN2CCN(Cc3cccc(C)c3)C[C@H]2CCO)cc1 ZINC000104395954 219383733 /nfs/dbraw/zinc/38/37/33/219383733.db2.gz XTAUIOUSXVEFAY-JOCHJYFZSA-N 0 3 338.495 3.372 50 0 EGAAHN COc1ccc(/C=C/CN2CCN(C3CCCC3)[C@H](CCO)C2)cc1 ZINC000039468161 213238524 /nfs/dbraw/zinc/23/85/24/213238524.db2.gz XLFIFBISBMBZOF-DPZZJQGRSA-N 0 3 344.499 3.020 50 0 EGAAHN OC[C@H]1CCN(Cc2ccc(Oc3ccc(Cl)cc3)cc2)C[C@H]1O ZINC000072128441 216019611 /nfs/dbraw/zinc/01/96/11/216019611.db2.gz XTPFEURUSCHEFW-DNVCBOLYSA-N 0 3 347.842 3.307 50 0 EGAAHN COc1cccc([C@H]2CN(Cc3ccco3)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000072126632 216017470 /nfs/dbraw/zinc/01/74/70/216017470.db2.gz RKWREKJKZCODMA-NJDAHSKKSA-N 0 3 338.451 3.350 50 0 EGAAHN CC[C@@H]1CN(Cc2ccc(Cn3cccn3)cc2)CCN1C(C)C ZINC000072152559 216041357 /nfs/dbraw/zinc/04/13/57/216041357.db2.gz PFDKIUDJXFCODA-HXUWFJFHSA-N 0 3 326.488 3.236 50 0 EGAAHN CC(=O)c1ccc(N2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)nc1 ZINC000072154859 216043908 /nfs/dbraw/zinc/04/39/08/216043908.db2.gz CPCDLNVSCBVELK-KSEOMHKRSA-N 0 3 347.462 3.351 50 0 EGAAHN CCCCC(=O)N1C[C@H](c2ccccc2OC)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072166056 216056588 /nfs/dbraw/zinc/05/65/88/216056588.db2.gz BRWYLKYVXUMRKO-DUXKGJEZSA-N 0 3 342.483 3.274 50 0 EGAAHN Cc1ccc(CCN2C(=O)CC[C@H]3CN(Cc4ccco4)CC[C@H]32)o1 ZINC000072468337 216247602 /nfs/dbraw/zinc/24/76/02/216247602.db2.gz NIPVKVSZJZIJDN-QFBILLFUSA-N 0 3 342.439 3.237 50 0 EGAAHN Cc1nn(CCO)cc1CN1CCC(Sc2cccc(C)c2)CC1 ZINC000072475397 216252861 /nfs/dbraw/zinc/25/28/61/216252861.db2.gz BFRODJLJCIYYRZ-UHFFFAOYSA-N 0 3 345.512 3.249 50 0 EGAAHN COc1ccc(CN2CCN(C3CCCC3)[C@@H](CCO)C2)c(C)c1C ZINC000023374312 212372307 /nfs/dbraw/zinc/37/23/07/212372307.db2.gz YSCOMDWJVGMPPY-FQEVSTJZSA-N 0 3 346.515 3.123 50 0 EGAAHN Cc1c2cc(C)ccc2oc1CN1CCN(C2CCN(C)CC2)CC1 ZINC000215344867 241121224 /nfs/dbraw/zinc/12/12/24/241121224.db2.gz DQEHTDCNQKVIJG-UHFFFAOYSA-N 0 3 341.499 3.261 50 0 EGAAHN c1cnn(Cc2ccccc2CN2CCC(Oc3cccnc3)CC2)c1 ZINC000216520892 241197126 /nfs/dbraw/zinc/19/71/26/241197126.db2.gz AGJVNCSMASIPNU-UHFFFAOYSA-N 0 3 348.450 3.370 50 0 EGAAHN O=C(NCc1ccco1)N1C[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2 ZINC000091637055 284010702 /nfs/dbraw/zinc/01/07/02/284010702.db2.gz ZXKAVNCEJXPKSE-ZWKOTPCHSA-N 0 3 339.439 3.086 50 0 EGAAHN CCc1c[nH]nc1[C@H]1CCCN(Cc2c(OC)cccc2OC)C1 ZINC000020993034 212195041 /nfs/dbraw/zinc/19/50/41/212195041.db2.gz QKQLDOLCBHYAAQ-HNNXBMFYSA-N 0 3 329.444 3.369 50 0 EGAAHN CC(C)=CCC/C(C)=C/Cn1ncc(N2CCCN(C)CC2)cc1=O ZINC000020866794 212178755 /nfs/dbraw/zinc/17/87/55/212178755.db2.gz IAHIJFDGPQGAKC-GIJQJNRQSA-N 0 3 344.503 3.078 50 0 EGAAHN Cc1cccc(CN2CCC(n3cc(CN4CCCC4)nn3)CC2)c1 ZINC000020865482 212179229 /nfs/dbraw/zinc/17/92/29/212179229.db2.gz WBCFKTREJTZQCL-UHFFFAOYSA-N 0 3 339.487 3.019 50 0 EGAAHN COc1ccc(Br)cc1CNC[C@H](O)c1ccccc1 ZINC000019872037 212077153 /nfs/dbraw/zinc/07/71/53/212077153.db2.gz JVMKTWRNFMYZJK-HNNXBMFYSA-N 0 3 336.229 3.281 50 0 EGAAHN CCN1CCN(Cc2ccc(OCc3ccccc3)c(OC)c2)CC1 ZINC000019633847 212052537 /nfs/dbraw/zinc/05/25/37/212052537.db2.gz HINGJHXEYGXZPU-UHFFFAOYSA-N 0 3 340.467 3.412 50 0 EGAAHN Cc1ccc(NC(=O)CCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000019367915 212022696 /nfs/dbraw/zinc/02/26/96/212022696.db2.gz BYIXKRKSUDDJJP-UHFFFAOYSA-N 0 3 337.467 3.141 50 0 EGAAHN CN(C)Cc1ccc(C(=O)N2CCC(Cc3cccnc3)CC2)cc1 ZINC000378409447 169116956 /nfs/dbraw/zinc/11/69/56/169116956.db2.gz CPDKMYUKSQQNKE-UHFFFAOYSA-N 0 3 337.467 3.238 50 0 EGAAHN CN(Cc1ccccc1)[C@@H]1CCCN(C(=O)/C=C/c2ccncc2)C1 ZINC000012320188 211343824 /nfs/dbraw/zinc/34/38/24/211343824.db2.gz ZUKFVAQPJPHTFW-SQUSKLHYSA-N 0 3 335.451 3.218 50 0 EGAAHN CCOc1ccccc1CN1CC[C@@](O)(C2CCOCC2)[C@H](C)C1 ZINC000091621290 218033360 /nfs/dbraw/zinc/03/33/60/218033360.db2.gz SOEZGTUZQOKUHT-UZLBHIALSA-N 0 3 333.472 3.085 50 0 EGAAHN COCCCN1CC2(CC1=O)CCN(C/C=C/c1ccccc1)CC2 ZINC000095365780 218298357 /nfs/dbraw/zinc/29/83/57/218298357.db2.gz JFDDCGLFYVLNGO-WEVVVXLNSA-N 0 3 342.483 3.051 50 0 EGAAHN Cc1nc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2ccccc2)C3)cs1 ZINC000095375961 218309368 /nfs/dbraw/zinc/30/93/68/218309368.db2.gz UFPWDIZQBNTVOS-DLBZAZTESA-N 0 3 341.480 3.188 50 0 EGAAHN c1cn(Cc2cscn2)c([C@H]2CCCN(c3ccncc3)C2)n1 ZINC000095378115 218311219 /nfs/dbraw/zinc/31/12/19/218311219.db2.gz DWPFCXYSCVITFV-AWEZNQCLSA-N 0 3 325.441 3.167 50 0 EGAAHN C[C@@H]1Oc2ccccc2OC1C(=O)Nc1nc2ccccc2s1 ZINC000005032499 210369175 /nfs/dbraw/zinc/36/91/75/210369175.db2.gz OPZWVVOPMLRGAB-BONVTDFDSA-N 0 3 326.377 3.463 50 0 EGAAHN CN(C)Cc1ccc([C@@H]2CCCN2C(=O)c2ncc(F)cc2F)cc1 ZINC000299786017 258093113 /nfs/dbraw/zinc/09/31/13/258093113.db2.gz SKUORNDYDNMNMF-KRWDZBQOSA-N 0 3 345.393 3.399 50 0 EGAAHN COc1ccc(F)cc1-c1cccc(C(=O)N2CC[C@@H](N(C)C)C2)c1 ZINC000299792476 258097915 /nfs/dbraw/zinc/09/79/15/258097915.db2.gz FWENPLCNTPXNGP-QGZVFWFLSA-N 0 3 342.414 3.277 50 0 EGAAHN O=C1CC[C@H](CCNCc2ccccn2)N1Cc1c(F)cccc1F ZINC000299801151 258104342 /nfs/dbraw/zinc/10/43/42/258104342.db2.gz VAZFXEMATXGYEO-OAHLLOKOSA-N 0 3 345.393 3.031 50 0 EGAAHN O[C@H](COCCC12CC3CC(CC(C3)C1)C2)CN1CCSCC1 ZINC000005043360 280441712 /nfs/dbraw/zinc/44/17/12/280441712.db2.gz MHLYGQIIGUMPMH-NNGLDNROSA-N 0 3 339.545 3.019 50 0 EGAAHN COc1ccc(C[N@@H+]2CCCC[C@H]2CC(=O)[O-])cc1CN1CCCC1 ZINC000097619161 295128713 /nfs/dbraw/zinc/12/87/13/295128713.db2.gz FJVJJBXBLBFAEZ-SFHVURJKSA-N 0 3 346.471 3.120 50 0 EGAAHN COc1ccc(C[N@H+]2CCCC[C@H]2CC(=O)[O-])cc1CN1CCCC1 ZINC000097619161 295128718 /nfs/dbraw/zinc/12/87/18/295128718.db2.gz FJVJJBXBLBFAEZ-SFHVURJKSA-N 0 3 346.471 3.120 50 0 EGAAHN COc1cccc(C(=O)N2CCN([C@H]3CCC[C@@H](C)C3)CC2)c1OC ZINC000000239670 452544610 /nfs/dbraw/zinc/54/46/10/452544610.db2.gz 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O=C(/C=C/c1ccco1)N[C@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000012712748 453393048 /nfs/dbraw/zinc/39/30/48/453393048.db2.gz SATYLUVMSTYGJF-BBVFFXRHSA-N 0 3 336.435 3.041 50 0 EGAAHN COc1ccc([C@H](CNC(=O)Cc2ccccc2)N2CCCC2)cc1 ZINC000027747924 453820229 /nfs/dbraw/zinc/82/02/29/453820229.db2.gz JLJFFBXKYSDBJK-FQEVSTJZSA-N 0 3 338.451 3.191 50 0 biogenic EGAAHN O=C(Cn1ccc2ccccc21)NC1CCN(Cc2ccccc2)CC1 ZINC000032069455 453862890 /nfs/dbraw/zinc/86/28/90/453862890.db2.gz VCZITSQFCURDQV-UHFFFAOYSA-N 0 3 347.462 3.422 50 0 EGAAHN CC(=O)c1ccccc1C(=O)N1CCCC[C@H]1CCN1CCCC1 ZINC000082115417 453924929 /nfs/dbraw/zinc/92/49/29/453924929.db2.gz NYWBPGBLBSNGTM-KRWDZBQOSA-N 0 3 328.456 3.370 50 0 EGAAHN Cc1[nH]c2c(cccc2CN2CCC(N3CCCC3=O)CC2)c1C ZINC000071730403 454211219 /nfs/dbraw/zinc/21/12/19/454211219.db2.gz ZQBNWIBSCSLRBW-UHFFFAOYSA-N 0 3 325.456 3.372 50 0 EGAAHN NC1(C(=O)N2CCC[C@@H](CCc3ccccc3C(F)(F)F)C2)CC1 ZINC000071751975 454214881 /nfs/dbraw/zinc/21/48/81/454214881.db2.gz NYFDDWUIJNPRQA-ZDUSSCGKSA-N 0 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CN(Cc1ccc(Sc2nncn2C)o1)C1Cc2ccccc2C1 ZINC000065420416 454564596 /nfs/dbraw/zinc/56/45/96/454564596.db2.gz FPZFTQWFKGGQEY-UHFFFAOYSA-N 0 3 340.452 3.159 50 0 EGAAHN COc1ccccc1/C=C/CN1CCN(CCC(C)C)[C@H](CCO)C1 ZINC000105273597 454632426 /nfs/dbraw/zinc/63/24/26/454632426.db2.gz FHWLUPWASBPFNA-CPSHHHPTSA-N 0 3 346.515 3.123 50 0 EGAAHN O=C(Cc1ccsc1)N1CCCN(CCCc2ccccc2)CC1 ZINC000170636530 454945443 /nfs/dbraw/zinc/94/54/43/454945443.db2.gz MGMSKJSXBARNQE-UHFFFAOYSA-N 0 3 342.508 3.458 50 0 EGAAHN COCCn1cncc1CN1CCC[C@H](Cc2ccc(F)cc2)C1 ZINC000252500573 455815195 /nfs/dbraw/zinc/81/51/95/455815195.db2.gz SXZXLPHYUZDAJT-QGZVFWFLSA-N 0 3 331.435 3.123 50 0 EGAAHN C[C@@H](CCNc1ccc2cccc(Cl)c2n1)N1CCN(C)CC1 ZINC000534670090 478168999 /nfs/dbraw/zinc/16/89/99/478168999.db2.gz OBFYVZPHMYQARK-AWEZNQCLSA-N 0 3 332.879 3.326 50 0 EGAAHN O=C(c1ccc(CN2CCCC2)cc1)N1CCN(c2ccccc2)CC1 ZINC000010113902 526668916 /nfs/dbraw/zinc/66/89/16/526668916.db2.gz FEAIATOVWHZKPL-UHFFFAOYSA-N 0 3 349.478 3.245 50 0 EGAAHN Cc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)N(C)C3)c2cc(F)ccc2n1 ZINC000670465168 548220565 /nfs/dbraw/zinc/22/05/65/548220565.db2.gz KQLDSWPMPSJPGG-HOCLYGCPSA-N 0 3 341.430 3.239 50 0 EGAAHN Cc1nn(C(C)C)c2c1[C@@H](c1cc(CN(C)C)cs1)CC(=O)N2 ZINC000065371843 1292079291 /nfs/dbraw/zinc/07/92/91/1292079291.db2.gz UITIKVNUJYVETB-CYBMUJFWSA-N 0 3 332.473 3.370 50 0 EGAAHN CN1CCCCC[C@H]1C(=O)NCCCc1nc2ccccc2s1 ZINC000952992149 1334632120 /nfs/dbraw/zinc/63/21/20/1334632120.db2.gz XTBBPCQMTSWUTA-HNNXBMFYSA-N 0 3 331.485 3.220 50 0 EGAAHN C[C@]1(O)CCOC2(CCN(Cc3ccnc4ccccc34)CC2)C1 ZINC001704298534 1416433002 /nfs/dbraw/zinc/43/30/02/1416433002.db2.gz IYUREXMJAVCFGV-IBGZPJMESA-N 0 3 326.440 3.131 50 0 EGAAHN C[C@@]1(O)CCOC2(CCN(Cc3ccnc4ccccc34)CC2)C1 ZINC001704298535 1416433077 /nfs/dbraw/zinc/43/30/77/1416433077.db2.gz IYUREXMJAVCFGV-LJQANCHMSA-N 0 3 326.440 3.131 50 0 EGAAHN CO[C@@H]1CCC[C@@]12CCCN(CC(=O)NC1CCCCCCC1)C2 ZINC001704301058 1416433105 /nfs/dbraw/zinc/43/31/05/1416433105.db2.gz IGOUDYUSHWKIHU-QUCCMNQESA-N 0 3 336.520 3.497 50 0 EGAAHN CC(C)c1cc(N2CCN([C@H]3CCc4ccccc4C3)CC2)ncn1 ZINC001704325806 1416444400 /nfs/dbraw/zinc/44/44/00/1416444400.db2.gz RVSXZDNZVWLORX-IBGZPJMESA-N 0 3 336.483 3.280 50 0 EGAAHN Cc1ccsc1CNc1ccccc1C(=O)N(C)[C@@H]1CCN(C)C1 ZINC000055211175 214288858 /nfs/dbraw/zinc/28/88/58/214288858.db2.gz JFBZSVYXEPTGJA-OAHLLOKOSA-N 0 3 343.496 3.445 50 0 EGAAHN C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCc4cccnc4)[C@H]3C=C12 ZINC000003999476 210096840 /nfs/dbraw/zinc/09/68/40/210096840.db2.gz ZQCAWWOBCZAYGY-MALKTNSBSA-N 0 3 340.467 3.485 50 0 biogenic EGAAHN Cc1occc1C(=O)NCC[C@@H]1CCCN(Cc2cccc(O)c2)C1 ZINC000067867596 215234286 /nfs/dbraw/zinc/23/42/86/215234286.db2.gz BCNMROUPRJMGNC-INIZCTEOSA-N 0 3 342.439 3.326 50 0 EGAAHN CN(C)C(=O)CC[C@@H]1CCCN(Cc2cc3cc(F)ccc3n2C)C1 ZINC000072125638 216016942 /nfs/dbraw/zinc/01/69/42/216016942.db2.gz XRKFGLCRMUHCKI-HNNXBMFYSA-N 0 3 345.462 3.398 50 0 EGAAHN COc1ccccc1[C@@H]1CN(Cc2ccccn2)[C@H]2[C@@H]1N1CCC2CC1 ZINC000072156375 216046062 /nfs/dbraw/zinc/04/60/62/216046062.db2.gz RFVUXBWCJLWLHX-KSEOMHKRSA-N 0 3 349.478 3.152 50 0 EGAAHN COc1ccc(CN2CCCN(Cc3cccs3)CC2)c(OC)c1 ZINC000072166348 216056536 /nfs/dbraw/zinc/05/65/36/216056536.db2.gz TVDSDRBLOHTVDE-UHFFFAOYSA-N 0 3 346.496 3.473 50 0 EGAAHN CC(=O)C1(c2ccccc2)CCN(Cc2cccc3nonc32)CC1 ZINC000072168555 216059815 /nfs/dbraw/zinc/05/98/15/216059815.db2.gz XNQOLSDJDMATHQ-UHFFFAOYSA-N 0 3 335.407 3.346 50 0 EGAAHN Cc1ccc([C@H](CNC(=O)COc2ccccc2Cl)N(C)C)cc1 ZINC000028290551 212613016 /nfs/dbraw/zinc/61/30/16/212613016.db2.gz UPNRZKXMRWKVKA-KRWDZBQOSA-N 0 3 346.858 3.446 50 0 EGAAHN Cc1nc(CN2CCCC23CCN(c2cccc(C)n2)CC3)co1 ZINC000072412375 216205281 /nfs/dbraw/zinc/20/52/81/216205281.db2.gz KHRCLAWWJNLWLM-UHFFFAOYSA-N 0 3 326.444 3.321 50 0 EGAAHN CCN(CCO)Cc1cn(-c2cccc(F)c2)nc1-c1ccc(C)o1 ZINC000072419844 216208802 /nfs/dbraw/zinc/20/88/02/216208802.db2.gz YRBICGZANYFEJB-UHFFFAOYSA-N 0 3 343.402 3.394 50 0 EGAAHN O=C1CC[C@]2(CCCN(Cc3ccncc3)C2)CN1Cc1ccccc1 ZINC000072447120 216237172 /nfs/dbraw/zinc/23/71/72/216237172.db2.gz PMHVLBQNSIOUPJ-QFIPXVFZSA-N 0 3 349.478 3.486 50 0 EGAAHN C[C@H](CNC(=O)c1cc(-c2ccccc2)on1)N1C[C@H](C)C[C@H](C)C1 ZINC000227156137 242123843 /nfs/dbraw/zinc/12/38/43/242123843.db2.gz GDTCFWJCTOGKOL-OWCLPIDISA-N 0 3 341.455 3.438 50 0 EGAAHN CSc1ccc(CN2CCN(CC(C)(C)C)[C@@H](CCO)C2)cc1 ZINC000020908978 212186881 /nfs/dbraw/zinc/18/68/81/212186881.db2.gz YOFZKULZUAEGTN-KRWDZBQOSA-N 0 3 336.545 3.323 50 0 EGAAHN Cc1ncc2c(c1-c1noc(C(C)(C)Nc3ccccc3)n1)CCNC2 ZINC000020210469 212112408 /nfs/dbraw/zinc/11/24/08/212112408.db2.gz ALHCJDWXCIMDKC-UHFFFAOYSA-N 0 3 349.438 3.433 50 0 EGAAHN COc1cc(CN(CCN(C)C)Cc2ccccc2)cc(OC)c1 ZINC000019636298 212053397 /nfs/dbraw/zinc/05/33/97/212053397.db2.gz TZNJXHPDYDPQOD-UHFFFAOYSA-N 0 3 328.456 3.268 50 0 EGAAHN CCN1CCN(Cc2ccc(OC)c(OCc3ccccc3)c2)CC1 ZINC000019634786 212052244 /nfs/dbraw/zinc/05/22/44/212052244.db2.gz HUKYZZDSOIBRGE-UHFFFAOYSA-N 0 3 340.467 3.412 50 0 EGAAHN COc1cccc(CN2CC[C@@H](Cc3cccc(CO)c3)C2)c1OC ZINC000091849293 218077232 /nfs/dbraw/zinc/07/72/32/218077232.db2.gz AHZWNRUFWYFCEV-KRWDZBQOSA-N 0 3 341.451 3.261 50 0 EGAAHN Cc1ccccc1OCC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000010450811 211174338 /nfs/dbraw/zinc/17/43/38/211174338.db2.gz ZAZUAMPXSFKKES-UHFFFAOYSA-N 0 3 338.451 3.155 50 0 EGAAHN Cc1ccc([C@H](CNC(=O)COc2ccccc2C)N(C)C)cc1 ZINC000010017929 211141245 /nfs/dbraw/zinc/14/12/45/211141245.db2.gz QJCRORPVUODEMU-SFHVURJKSA-N 0 3 326.440 3.101 50 0 EGAAHN O=C(CSCC1CC1)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2 ZINC000095379228 218310868 /nfs/dbraw/zinc/31/08/68/218310868.db2.gz FUEGRDZLTNXVGL-RTBURBONSA-N 0 3 344.524 3.253 50 0 EGAAHN COc1cc(CNC[C@H](C)O)cc(Cl)c1OCc1ccccc1 ZINC000006703639 210686693 /nfs/dbraw/zinc/68/66/93/210686693.db2.gz IWUNAOOVPNSXST-ZDUSSCGKSA-N 0 3 335.831 3.398 50 0 EGAAHN CCOC(=O)CN1CCC(c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1 ZINC000005625428 210504136 /nfs/dbraw/zinc/50/41/36/210504136.db2.gz HWEULVNWMJACHM-UHFFFAOYSA-N 0 3 347.846 3.473 50 0 EGAAHN Cc1ccc([C@@H](NC(=O)C2CCN(C)CC2)c2cccnc2)c(C)c1 ZINC000097334221 219012868 /nfs/dbraw/zinc/01/28/68/219012868.db2.gz YTAXMCJTLKXDHV-FQEVSTJZSA-N 0 3 337.467 3.246 50 0 EGAAHN Cc1ccc2[nH]c3c(c2c1)CN(C(=O)CN1CCC[C@@H](C)C1)CC3 ZINC000004837139 210293447 /nfs/dbraw/zinc/29/34/47/210293447.db2.gz MYGBEOGYYAJYJL-OAHLLOKOSA-N 0 3 325.456 3.093 50 0 EGAAHN O=C([C@H]1CCCN(Cc2ccc3c(c2)OCO3)C1)N1CCCCCC1 ZINC000004746244 210269427 /nfs/dbraw/zinc/26/94/27/210269427.db2.gz SKOTZEXQVSGLMG-KRWDZBQOSA-N 0 3 344.455 3.030 50 0 EGAAHN CCN(CCN1CCCC1)C(=O)c1cccc(-c2ncccc2F)c1 ZINC000426471308 257967521 /nfs/dbraw/zinc/96/75/21/257967521.db2.gz FBMCRCKAXANNPC-UHFFFAOYSA-N 0 3 341.430 3.446 50 0 EGAAHN O=C1C[C@@H](NCCc2ccccc2)C(=O)N1c1cccc2ccccc21 ZINC000020081917 258057189 /nfs/dbraw/zinc/05/71/89/258057189.db2.gz KOQFPMAZYFGEQN-LJQANCHMSA-N 0 3 344.414 3.304 50 0 EGAAHN Cc1cc(C)cc(NC(=O)CCN2CCN(c3ccccc3)CC2)c1 ZINC000002765270 135658485 /nfs/dbraw/zinc/65/84/85/135658485.db2.gz WMNLPVBBYRQNLW-UHFFFAOYSA-N 0 3 337.467 3.454 50 0 EGAAHN Fc1ccc(-c2n[nH]cc2CN2CCC(Cn3cccn3)CC2)cc1 ZINC000122092097 222013460 /nfs/dbraw/zinc/01/34/60/222013460.db2.gz HCONNCJGEKKWTR-UHFFFAOYSA-N 0 3 339.418 3.325 50 0 EGAAHN CN(C)CC/C=C1/c2ccccc2CS(=O)(=O)c2ccccc21 ZINC000000346582 289080343 /nfs/dbraw/zinc/08/03/43/289080343.db2.gz SDAOUNLJPTVJAJ-BOPFTXTBSA-N 0 3 327.449 3.357 50 0 EGAAHN c1ncn(Cc2ccccc2)c1CN1CCN(C2CCCCC2)CC1 ZINC000244724018 455275411 /nfs/dbraw/zinc/27/54/11/455275411.db2.gz MMDBDBPDCZWKPT-UHFFFAOYSA-N 0 3 338.499 3.382 50 0 EGAAHN Cc1ccc(CN2CCC(C(=O)N(C)Cc3ccccc3)CC2)o1 ZINC000000299661 452556334 /nfs/dbraw/zinc/55/63/34/452556334.db2.gz DCYQFNYZFCTGCN-UHFFFAOYSA-N 0 3 326.440 3.459 50 0 EGAAHN CC[C@H]1CCCCN1CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000000526707 452614238 /nfs/dbraw/zinc/61/42/38/452614238.db2.gz NMHLNOPFYTVZHA-HNNXBMFYSA-N 0 3 325.456 3.317 50 0 biogenic EGAAHN Cc1cc(NCCN(C)C)n2ncc(-c3ccc(Cl)cc3)c2n1 ZINC000002352945 452696146 /nfs/dbraw/zinc/69/61/46/452696146.db2.gz WPXFVBVRCUFOJU-UHFFFAOYSA-N 0 3 329.835 3.332 50 0 EGAAHN CCOc1cc(CNCCO)cc(Cl)c1OCc1cccs1 ZINC000002488928 452699041 /nfs/dbraw/zinc/69/90/41/452699041.db2.gz RUJRRQCPRAFJES-UHFFFAOYSA-N 0 3 341.860 3.461 50 0 EGAAHN OCCN(Cc1c[nH]nc1-c1ccc(F)cc1)Cc1ccccc1 ZINC000006530666 452950807 /nfs/dbraw/zinc/95/08/07/452950807.db2.gz FDQWFAGDHPQTSJ-UHFFFAOYSA-N 0 3 325.387 3.210 50 0 EGAAHN CN(CC1CCN(CCc2ccc(F)cc2)CC1)C(=O)c1ccco1 ZINC000012571064 453377277 /nfs/dbraw/zinc/37/72/77/453377277.db2.gz ZHPGOHGOMSXHJM-UHFFFAOYSA-N 0 3 344.430 3.445 50 0 EGAAHN COc1ccccc1CCN1CCC[C@H](CN(C)C(=O)C(C)(C)C)C1 ZINC000012588856 453379835 /nfs/dbraw/zinc/37/98/35/453379835.db2.gz VYLHXKHTHYMAFH-QGZVFWFLSA-N 0 3 346.515 3.454 50 0 EGAAHN O=C(N[C@H]1CCCN(CCc2ccccc2)C1)c1c(F)cccc1F ZINC000012713516 453393443 /nfs/dbraw/zinc/39/34/43/453393443.db2.gz AZGHXJJYTIWWOE-INIZCTEOSA-N 0 3 344.405 3.402 50 0 EGAAHN O=C1CC[C@H](CCNCc2ccccn2)N1Cc1cccc(Cl)c1 ZINC000014982372 453550732 /nfs/dbraw/zinc/55/07/32/453550732.db2.gz XDMMJIURDUXQTN-GOSISDBHSA-N 0 3 343.858 3.406 50 0 EGAAHN c1cnn(CC[C@H]2CCCCN2Cc2cnc(-c3ccco3)nc2)c1 ZINC000077565951 454124175 /nfs/dbraw/zinc/12/41/75/454124175.db2.gz LOYLGIATVMEAQM-QGZVFWFLSA-N 0 3 337.427 3.378 50 0 EGAAHN Cc1cc(C)n(-c2cc(Cl)ccc2-c2nc3c([nH]2)CNCC3)n1 ZINC000095364510 454197212 /nfs/dbraw/zinc/19/72/12/454197212.db2.gz OEAXDBKPHNYEPB-UHFFFAOYSA-N 0 3 327.819 3.178 50 0 EGAAHN COc1ccc(F)c(-c2nc(CN3CCN4CCC[C@@H]4C3)c(C)o2)c1 ZINC000071748920 454213134 /nfs/dbraw/zinc/21/31/34/454213134.db2.gz IEDGQIFOJDXIGD-CQSZACIVSA-N 0 3 345.418 3.078 50 0 EGAAHN O=C1N(CC2CC2)CCC[C@]12CCN(Cc1cc(F)ccc1F)C2 ZINC000091289254 454423171 /nfs/dbraw/zinc/42/31/71/454423171.db2.gz UJLCETPVZKYFHE-LJQANCHMSA-N 0 3 334.410 3.189 50 0 EGAAHN CN1CCCCC[C@H]1C(=O)NCCCSCc1ccccc1F ZINC000097492556 454438565 /nfs/dbraw/zinc/43/85/65/454438565.db2.gz SDEGBYDJGKWSFZ-KRWDZBQOSA-N 0 3 338.492 3.440 50 0 EGAAHN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NC1CCN(C)CC1 ZINC000065365061 454554167 /nfs/dbraw/zinc/55/41/67/454554167.db2.gz WKJHCUABCQIUTR-OAHLLOKOSA-N 0 3 326.893 3.421 50 0 EGAAHN COc1ccccc1-n1nc(CC2CCN(C)CC2)nc1CSC ZINC000222412680 456047066 /nfs/dbraw/zinc/04/70/66/456047066.db2.gz LSOUFYXCRLBKHJ-UHFFFAOYSA-N 0 3 346.500 3.023 50 0 EGAAHN O=C(c1c[nH]c2ccccc12)N1CC[C@@H](N2CCc3ccccc3C2)C1 ZINC000225686983 456104114 /nfs/dbraw/zinc/10/41/14/456104114.db2.gz LACZYCKWRKMDPU-GOSISDBHSA-N 0 3 345.446 3.441 50 0 EGAAHN Cc1csc(=O)n1CCN1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000411986076 458033414 /nfs/dbraw/zinc/03/34/14/458033414.db2.gz ODCWKAQRPHFRFD-QGZVFWFLSA-N 0 3 328.481 3.488 50 0 EGAAHN CCc1[nH]nc(Cl)c1CNC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000585137130 459828853 /nfs/dbraw/zinc/82/88/53/459828853.db2.gz JQWFYQOCDXQHKX-ZDUSSCGKSA-N 0 3 347.894 3.336 50 0 EGAAHN COc1cccc2ccc(NCCCOC3CCN(C)CC3)nc21 ZINC000534666518 478168631 /nfs/dbraw/zinc/16/86/31/478168631.db2.gz DLRUPSSWHLKDRV-UHFFFAOYSA-N 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/nfs/dbraw/zinc/27/58/42/1292275842.db2.gz JRWLSPACCUPNFO-UHFFFAOYSA-N 0 3 335.386 3.486 50 0 EGAAHN CC(C)(C)OC(=O)CN1Cc2c(ccc(Cl)c2Cl)NC1=N ZINC000503713163 1297957936 /nfs/dbraw/zinc/95/79/36/1297957936.db2.gz RYADOUGEVWTOLH-UHFFFAOYSA-N 0 3 330.215 3.497 50 0 EGAAHN CCc1nc2cc(NC(=O)CN(C)C3CCCC3)ccc2n1CC ZINC000952983842 1334629825 /nfs/dbraw/zinc/62/98/25/1334629825.db2.gz RNCQCHQBZZIOHN-UHFFFAOYSA-N 0 3 328.460 3.432 50 0 EGAAHN COc1ccc(NC(=O)C(C)C)c(NC(=O)CN(C)C2CCCC2)c1 ZINC000952982918 1334630206 /nfs/dbraw/zinc/63/02/06/1334630206.db2.gz QNBWJMFKZUBTFE-UHFFFAOYSA-N 0 3 347.459 3.103 50 0 EGAAHN O=C(CCCc1ccccc1)N1CCCN(C[C@@H]2CCCCO2)CC1 ZINC001197022872 1368732527 /nfs/dbraw/zinc/73/25/27/1368732527.db2.gz YFZYGCPSPVPOIA-FQEVSTJZSA-N 0 3 344.499 3.113 50 0 EGAAHN CNC(=O)c1ccc(CN2CCCC[C@H]2CCc2ccccn2)o1 ZINC001704353167 1416453539 /nfs/dbraw/zinc/45/35/39/1416453539.db2.gz SKHXAPIRELAGRD-INIZCTEOSA-N 0 3 327.428 3.022 50 0 EGAAHN COc1cc(OC)c(CN2CC(N3CCCC[C@H]3C)C2)cc1Cl ZINC001704353063 1416453738 /nfs/dbraw/zinc/45/37/38/1416453738.db2.gz PJFGQJQZXGZAIW-CYBMUJFWSA-N 0 3 338.879 3.416 50 0 EGAAHN CCc1ccc(CN(CC)Cc2ccc(S(=O)(=O)NC)cc2)cc1 ZINC000055568603 214330757 /nfs/dbraw/zinc/33/07/57/214330757.db2.gz HUNIJEIOTJVRBG-UHFFFAOYSA-N 0 3 346.496 3.179 50 0 EGAAHN CC1(C)CCCN(CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1 ZINC000004061901 210110229 /nfs/dbraw/zinc/11/02/29/210110229.db2.gz FVPVBDZOGPDGGF-UHFFFAOYSA-N 0 3 325.456 3.175 50 0 biogenic EGAAHN CCC(=O)NC[C@@H]1CCN(Cc2c(OC)ccc3ccccc32)C1 ZINC000067771750 215207630 /nfs/dbraw/zinc/20/76/30/215207630.db2.gz KXWAIEQNUAUPLP-HNNXBMFYSA-N 0 3 326.440 3.197 50 0 EGAAHN Cc1nc(-c2ccccc2)c(C(=O)NC[C@@H]2CCCN(C)C2)s1 ZINC000067921697 215250928 /nfs/dbraw/zinc/25/09/28/215250928.db2.gz GSTGMWDGCZFXKY-AWEZNQCLSA-N 0 3 329.469 3.190 50 0 EGAAHN O=C(c1ccncc1)N1CCC[C@H]1[C@@H]1CCCN1Cc1ccccc1 ZINC000069348486 215381493 /nfs/dbraw/zinc/38/14/93/215381493.db2.gz DLTHOCRRQVUWSB-PMACEKPBSA-N 0 3 335.451 3.351 50 0 EGAAHN Cc1c[nH]c(C(=O)N2C[C@H](c3ccc(C)cc3)[C@@H]3[C@H]2C2CCN3CC2)c1 ZINC000072127369 216018067 /nfs/dbraw/zinc/01/80/67/216018067.db2.gz FJDQWLKVYBFATJ-HMXCVIKNSA-N 0 3 349.478 3.334 50 0 EGAAHN CCCCC(=O)N1C[C@@H](c2ccccc2OC)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072170127 216061787 /nfs/dbraw/zinc/06/17/87/216061787.db2.gz BRWYLKYVXUMRKO-IOMROCGXSA-N 0 3 342.483 3.274 50 0 EGAAHN Cc1ccc(CCN2C(=O)CC[C@H]3CN(Cc4ccoc4)CC[C@H]32)o1 ZINC000072430671 216223710 /nfs/dbraw/zinc/22/37/10/216223710.db2.gz QWNLCXKUZJAZOM-PKOBYXMFSA-N 0 3 342.439 3.237 50 0 EGAAHN CCN1C[C@@]2(CCCN(CCCC(=O)c3ccccc3)C2)CCC1=O ZINC000072469859 216249302 /nfs/dbraw/zinc/24/93/02/216249302.db2.gz LTGNLWWRYFOUGV-NRFANRHFSA-N 0 3 342.483 3.374 50 0 EGAAHN Cc1ccccc1OCC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000027664237 212572193 /nfs/dbraw/zinc/57/21/93/212572193.db2.gz QFCQUZPMZXBRQD-MRXNPFEDSA-N 0 3 344.480 3.389 50 0 EGAAHN CCc1ncc(CN2CCC[C@@H](c3nc4ccccc4n3C)C2)cn1 ZINC000215262586 241113149 /nfs/dbraw/zinc/11/31/49/241113149.db2.gz VVAGNAZDGUXNDV-MRXNPFEDSA-N 0 3 335.455 3.305 50 0 EGAAHN CN(C)CCN(C(=O)c1cccc2ccccc21)C1CCOCC1 ZINC000206665188 241047449 /nfs/dbraw/zinc/04/74/49/241047449.db2.gz OXRKGQXXJCYMPV-UHFFFAOYSA-N 0 3 326.440 3.023 50 0 EGAAHN CCN1CCC(NC(=O)[C@H](C)Oc2cc(Cl)ccc2Cl)CC1 ZINC000020608745 212153594 /nfs/dbraw/zinc/15/35/94/212153594.db2.gz VYVPAGCNBZQARM-NSHDSACASA-N 0 3 345.270 3.361 50 0 EGAAHN CCOc1ccccc1CN1CCN(CC(C)(C)C)C[C@@H]1CCO ZINC000020536800 212144474 /nfs/dbraw/zinc/14/44/74/212144474.db2.gz BPSDJOVEBOTWGX-SFHVURJKSA-N 0 3 334.504 3.000 50 0 EGAAHN CCOc1ccc(Br)cc1CN[C@H]1CN2CCC1CC2 ZINC000020476884 212135985 /nfs/dbraw/zinc/13/59/85/212135985.db2.gz KJVBFJBXGYSDFK-HNNXBMFYSA-N 0 3 339.277 3.032 50 0 EGAAHN CCOCCCNC(=O)C1CCN(C/C(C)=C/c2ccccc2)CC1 ZINC000019907683 212081783 /nfs/dbraw/zinc/08/17/83/212081783.db2.gz HKCSUVRYUYCLNS-FBMGVBCBSA-N 0 3 344.499 3.345 50 0 EGAAHN COc1ccc(CN2CCC(NC(=O)C3CCCCC3)CC2)cc1 ZINC000019894207 212080531 /nfs/dbraw/zinc/08/05/31/212080531.db2.gz ALJMMLXGHDBTQW-UHFFFAOYSA-N 0 3 330.472 3.356 50 0 EGAAHN CCOc1ccc2ccccc2c1CNCCCN1CCOCC1 ZINC000019871721 212077902 /nfs/dbraw/zinc/07/79/02/212077902.db2.gz YQWBZPMHXLSDPD-UHFFFAOYSA-N 0 3 328.456 3.050 50 0 EGAAHN Cc1ncc(CN(C)[C@H]2CCCN(Cc3ccccc3F)C2)cn1 ZINC000019839082 212073881 /nfs/dbraw/zinc/07/38/81/212073881.db2.gz BHOPTYJPAHGKMN-SFHVURJKSA-N 0 3 328.435 3.021 50 0 EGAAHN Cc1cccc(OCC(=O)N2CCN([C@H]3CCC[C@@H](C)C3)CC2)c1 ZINC000019842065 212075403 /nfs/dbraw/zinc/07/54/03/212075403.db2.gz BLTVJIOUOBVHFJ-AEFFLSMTSA-N 0 3 330.472 3.097 50 0 EGAAHN CCOC(=O)[C@@]1(CCOC)CCCN(C/C(C)=C/c2ccco2)C1 ZINC000012387551 211364825 /nfs/dbraw/zinc/36/48/25/211364825.db2.gz FTGIKTFLROCENR-NRMGUKERSA-N 0 3 335.444 3.365 50 0 EGAAHN O=C(N1CCC[C@H](Nc2ccccc2)C1)C1(N2CCCC2)CCCC1 ZINC000012201228 211319039 /nfs/dbraw/zinc/31/90/39/211319039.db2.gz SYNGXBRYMRBAED-IBGZPJMESA-N 0 3 341.499 3.498 50 0 EGAAHN O=C1O[C@@H]2CN(C3CCCC3)C[C@@H]2N1CCc1cccc(Cl)c1 ZINC000012196235 211317666 /nfs/dbraw/zinc/31/76/66/211317666.db2.gz RJZYAMINQFBKJI-DLBZAZTESA-N 0 3 334.847 3.330 50 0 EGAAHN O=C(NC[C@@H]1CCCN(Cc2ccc(O)cc2)C1)c1ccc(F)cc1 ZINC000012073166 211286270 /nfs/dbraw/zinc/28/62/70/211286270.db2.gz GTBVXQOQDMYBAI-INIZCTEOSA-N 0 3 342.414 3.173 50 0 EGAAHN Cc1cc(CN(C)[C@@H]2CCC(=O)N(Cc3cccc(C)c3)CC2)on1 ZINC000012037926 211283574 /nfs/dbraw/zinc/28/35/74/211283574.db2.gz MBMNVRRZMDKCMT-GOSISDBHSA-N 0 3 341.455 3.305 50 0 EGAAHN Cc1cc(N[C@H]2CCCc3nc(-c4ccccc4)ncc32)nc(N)n1 ZINC000091411558 218001915 /nfs/dbraw/zinc/00/19/15/218001915.db2.gz OJHCXGGUDMGXHK-HNNXBMFYSA-N 0 3 332.411 3.314 50 0 EGAAHN Cc1nc(C(=O)N2CCC[C@H](N(C)Cc3ccccc3)C2)cs1 ZINC000011815667 211251021 /nfs/dbraw/zinc/25/10/21/211251021.db2.gz ZMZLCJBUJLENQM-INIZCTEOSA-N 0 3 329.469 3.188 50 0 EGAAHN O=C(c1ccco1)N1CC[C@H](C2CCN(Cc3cccnc3)CC2)C1 ZINC000011844258 211256062 /nfs/dbraw/zinc/25/60/62/211256062.db2.gz UFPZPPMDOJYDOS-SFHVURJKSA-N 0 3 339.439 3.049 50 0 EGAAHN O[C@H](COC12CC3CC(CC(C3)C1)C2)CN1CCc2ccccc2C1 ZINC000010434715 211172374 /nfs/dbraw/zinc/17/23/74/211172374.db2.gz DPTCMAQAMFSUSH-UTANWOJPSA-N 0 3 341.495 3.391 50 0 EGAAHN CSc1nccc(N2CCC(N[C@@H](C)c3nc(C)cs3)CC2)n1 ZINC000095356089 218289613 /nfs/dbraw/zinc/28/96/13/218289613.db2.gz NCXSLBWRHJQHRB-LBPRGKRZSA-N 0 3 349.529 3.283 50 0 EGAAHN CSc1nccc(N2CCC(N[C@H](C)c3nc(C)cs3)CC2)n1 ZINC000095356088 218289729 /nfs/dbraw/zinc/28/97/29/218289729.db2.gz NCXSLBWRHJQHRB-GFCCVEGCSA-N 0 3 349.529 3.283 50 0 EGAAHN CCSc1ncc(CN2C[C@H]3CC[C@H](CN3CC=C(C)C)C2)cn1 ZINC000095368666 218301771 /nfs/dbraw/zinc/30/17/71/218301771.db2.gz YOJGDQAJDCRKPZ-FUHWJXTLSA-N 0 3 346.544 3.451 50 0 EGAAHN CCOC(=O)c1ccc2[nH]c(C)c(CN3CCCCC3)c(=O)c2c1 ZINC000008714114 210987924 /nfs/dbraw/zinc/98/79/24/210987924.db2.gz SKNFWYDQTDQUHE-UHFFFAOYSA-N 0 3 328.412 3.411 50 0 EGAAHN CCN(CC)CCSc1nnc2c3cc(C)ccc3n(C)c2n1 ZINC000005050985 210375961 /nfs/dbraw/zinc/37/59/61/210375961.db2.gz NHSTUQXLCMTTII-UHFFFAOYSA-N 0 3 329.473 3.259 50 0 EGAAHN Cc1ccc(CN2CCC(CNC(=O)c3cc(Cl)cn3C)CC2)o1 ZINC000299779490 258088939 /nfs/dbraw/zinc/08/89/39/258088939.db2.gz RSBYWYPJZVGNIW-UHFFFAOYSA-N 0 3 349.862 3.222 50 0 EGAAHN CC(=O)Nc1ccc(CN(Cc2ccccc2)C[C@@H](C)CO)cc1 ZINC000055061027 258061010 /nfs/dbraw/zinc/06/10/10/258061010.db2.gz RBFHBQMPBPSGRK-MRXNPFEDSA-N 0 3 326.440 3.276 50 0 EGAAHN Cc1cc(NC(=O)[C@H]2CCCN(C)C2)n(Cc2ccccc2Cl)n1 ZINC000055060765 258061281 /nfs/dbraw/zinc/06/12/81/258061281.db2.gz ACTIZDUNFOZFSK-HNNXBMFYSA-N 0 3 346.862 3.174 50 0 EGAAHN Cc1ccccc1[C@@H]1CCN(CCNC(=O)c2cc(Cl)cn2C)C1 ZINC000299756395 258075077 /nfs/dbraw/zinc/07/50/77/258075077.db2.gz HUBOLPPZKISNBY-OAHLLOKOSA-N 0 3 345.874 3.206 50 0 EGAAHN COc1cc(CN2CCC[C@@](CO)(Cc3ccccc3)C2)ccc1O ZINC000011662169 275120189 /nfs/dbraw/zinc/12/01/89/275120189.db2.gz MUMHCQHBISYEPQ-OAQYLSRUSA-N 0 3 341.451 3.218 50 0 EGAAHN Cc1ccccc1NC(=O)NC[C@H](c1ccc2c(c1)CCO2)N(C)C ZINC000090607307 278952528 /nfs/dbraw/zinc/95/25/28/278952528.db2.gz QINPAOZDUUKHIG-GOSISDBHSA-N 0 3 339.439 3.354 50 0 EGAAHN COc1ccc(CN[C@H](C)[C@@H]2COc3ccccc3O2)c(OC)c1 ZINC000000189272 452530862 /nfs/dbraw/zinc/53/08/62/452530862.db2.gz AWPDVLXZHUFYBN-YJYMSZOUSA-N 0 3 329.396 3.022 50 0 biogenic EGAAHN Cc1ccc2nc(C)c(C(=O)N3CCN(c4ccncc4)CC3)cc2c1 ZINC000020776377 453668784 /nfs/dbraw/zinc/66/87/84/453668784.db2.gz APADIRYCKIKZBC-UHFFFAOYSA-N 0 3 346.434 3.209 50 0 EGAAHN Ic1ccc(OCCN2CCCCC2)cc1 ZINC000034568559 453920206 /nfs/dbraw/zinc/92/02/06/453920206.db2.gz OADCVVWLHQWRPD-UHFFFAOYSA-N 0 3 331.197 3.156 50 0 EGAAHN Cc1ccc(N2C(=O)C[C@H](N3CCC[C@H]4CCCC[C@@H]43)C2=O)cc1 ZINC000036047203 453925278 /nfs/dbraw/zinc/92/52/78/453925278.db2.gz NZUUPLWSKJXMDC-NJAFHUGGSA-N 0 3 326.440 3.282 50 0 EGAAHN Cc1ccc2c(C)cc(N3CCN(C4CCOCC4)CC3)nc2c1C ZINC000067818486 453968947 /nfs/dbraw/zinc/96/89/47/453968947.db2.gz PKQQURXQPDSYNU-UHFFFAOYSA-N 0 3 339.483 3.461 50 0 EGAAHN CC(C)CCN1C[C@@]2(CCCN(Cc3ccccn3)C2)CCC1=O ZINC000077320427 454090472 /nfs/dbraw/zinc/09/04/72/454090472.db2.gz HIGLOFKYOPVLRS-FQEVSTJZSA-N 0 3 329.488 3.332 50 0 EGAAHN CCc1c[nH]nc1[C@H]1CCCN(Cc2cc3c(c(OC)c2)OCO3)C1 ZINC000077337887 454093278 /nfs/dbraw/zinc/09/32/78/454093278.db2.gz PBFHLHXEZNIFCE-HNNXBMFYSA-N 0 3 343.427 3.089 50 0 EGAAHN COc1cccc(CN2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)c1 ZINC000077440528 454106226 /nfs/dbraw/zinc/10/62/26/454106226.db2.gz IQMLTJARSVZNGD-FQEVSTJZSA-N 0 3 328.456 3.062 50 0 EGAAHN Cc1ccc(CN2CC[C@@H](CNC(=O)c3ccco3)C2)c(C)c1F ZINC000071278573 454204107 /nfs/dbraw/zinc/20/41/07/454204107.db2.gz ICCWKIKRMVWHBQ-HNNXBMFYSA-N 0 3 330.403 3.287 50 0 EGAAHN COc1ccc(C(=O)NC2CCC2)cc1OC1CCN(C(C)C)CC1 ZINC000095500212 454222407 /nfs/dbraw/zinc/22/24/07/454222407.db2.gz GXMQQAFWYPUOMF-UHFFFAOYSA-N 0 3 346.471 3.229 50 0 EGAAHN CSCCCNC(=O)Nc1ccc(OC2CCN(C)CC2)cc1 ZINC000095520535 454226350 /nfs/dbraw/zinc/22/63/50/454226350.db2.gz YZCJUNPOCLFLAY-UHFFFAOYSA-N 0 3 337.489 3.034 50 0 EGAAHN C[C@@H]1CCCCN1C1CN(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)C1 ZINC000096137897 454292189 /nfs/dbraw/zinc/29/21/89/454292189.db2.gz ZKGXAYLZVOLZKS-CQSZACIVSA-N 0 3 339.443 3.167 50 0 EGAAHN CN(c1ccccc1)c1ccc(CN2CCC[C@](O)(CO)CC2)cc1 ZINC000097117523 454412987 /nfs/dbraw/zinc/41/29/87/454412987.db2.gz LWSZDEHRMOLZAW-OAQYLSRUSA-N 0 3 340.467 3.164 50 0 EGAAHN C[C@H]1CCCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000048311023 454471758 /nfs/dbraw/zinc/47/17/58/454471758.db2.gz LRRTYHBIMCLVHO-INIZCTEOSA-N 0 3 346.496 3.240 50 0 EGAAHN COc1cccc(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)c1 ZINC000065364571 454554470 /nfs/dbraw/zinc/55/44/70/454554470.db2.gz GHKOVFVQJSITOM-UHFFFAOYSA-N 0 3 340.423 3.421 50 0 EGAAHN CCOc1cc(CN2CC[C@@H](c3ccc(F)cc3)[C@H](O)C2)ccc1O ZINC000065372395 454555236 /nfs/dbraw/zinc/55/52/36/454555236.db2.gz BATYSJKCWYQHQK-PKOBYXMFSA-N 0 3 345.414 3.280 50 0 EGAAHN O=C(CN[C@@H](c1cccs1)C1CCCCC1)Nc1cnccn1 ZINC000065509287 454580169 /nfs/dbraw/zinc/58/01/69/454580169.db2.gz OTULKGWDCCYRCS-QGZVFWFLSA-N 0 3 330.457 3.388 50 0 EGAAHN O=C(c1ccccn1)N1CCC[C@@H]1[C@@H]1CCCN1Cc1ccccc1 ZINC000106580845 454703286 /nfs/dbraw/zinc/70/32/86/454703286.db2.gz OIXBDLWIKITHDB-VQTJNVASSA-N 0 3 335.451 3.351 50 0 EGAAHN O=C(c1ccncc1)N1CCC[C@@H]1[C@H]1CCCN1Cc1ccccc1 ZINC000106638371 454709115 /nfs/dbraw/zinc/70/91/15/454709115.db2.gz DLTHOCRRQVUWSB-WOJBJXKFSA-N 0 3 335.451 3.351 50 0 EGAAHN O=C(Cc1ccc(F)cc1)N1CC[C@@H](N2CCc3ccccc3C2)C1 ZINC000225684597 456102652 /nfs/dbraw/zinc/10/26/52/456102652.db2.gz KEDAOHQDOUKPNP-HXUWFJFHSA-N 0 3 338.426 3.027 50 0 EGAAHN Cc1c(NC(=O)N2CCC[C@H](N(C)C)C2)cccc1-n1cccc1 ZINC000299774555 456779698 /nfs/dbraw/zinc/77/96/98/456779698.db2.gz HESCSLXKOSOXNJ-INIZCTEOSA-N 0 3 326.444 3.344 50 0 EGAAHN CCN1CCCC[C@@H]1CNC(=O)N(C)Cc1cccc2cccnc21 ZINC000426493257 457842293 /nfs/dbraw/zinc/84/22/93/457842293.db2.gz SIUPQIUFFJFPKM-GOSISDBHSA-N 0 3 340.471 3.251 50 0 EGAAHN CN(CCCSc1ccccc1)C(=O)NC[C@@H]1CCCCN1C ZINC000426551103 457854624 /nfs/dbraw/zinc/85/46/24/457854624.db2.gz KXLQBBZYLMXWMP-INIZCTEOSA-N 0 3 335.517 3.295 50 0 EGAAHN CCN1CC[C@H](NC(=O)N2CCC(Sc3ccc(C)cc3)CC2)C1 ZINC000584897115 459820753 /nfs/dbraw/zinc/82/07/53/459820753.db2.gz DVDYFLAXXSXFGJ-INIZCTEOSA-N 0 3 347.528 3.355 50 0 EGAAHN CSc1ccc2nc(NCCN3CCC(CO)CC3)cc(C)c2c1 ZINC000534629855 478163268 /nfs/dbraw/zinc/16/32/68/478163268.db2.gz LDRVPRQHEBYYIX-UHFFFAOYSA-N 0 3 345.512 3.381 50 0 EGAAHN CC(C)c1ccc(CN2CCC(=O)N(Cc3ccncc3)CC2)cc1 ZINC000012244895 1291130307 /nfs/dbraw/zinc/13/03/07/1291130307.db2.gz AHVXKNLRCRUPMX-UHFFFAOYSA-N 0 3 337.467 3.440 50 0 EGAAHN O=C(Nc1ccccc1CN1CCCC1)c1scc2c1OCCO2 ZINC000828231577 1292444590 /nfs/dbraw/zinc/44/45/90/1292444590.db2.gz RDIZUYZAJPPZCR-UHFFFAOYSA-N 0 3 344.436 3.367 50 0 EGAAHN Cc1nccn1Cc1ccccc1NC(=O)CN1CCCCCC1 ZINC000952873222 1334584576 /nfs/dbraw/zinc/58/45/76/1334584576.db2.gz IZYJZJFVACCLOL-UHFFFAOYSA-N 0 3 326.444 3.054 50 0 EGAAHN COc1ccc(C(=O)Nc2ccccc2CN2CCCCC2)cn1 ZINC000952985269 1334630833 /nfs/dbraw/zinc/63/08/33/1334630833.db2.gz UOKKFMWWYKSVCL-UHFFFAOYSA-N 0 3 325.412 3.328 50 0 EGAAHN CC(=O)Oc1c(C)cc(CN2CCC[C@@H]2Cn2cccn2)cc1C ZINC000055119173 214276773 /nfs/dbraw/zinc/27/67/73/214276773.db2.gz RHCZRWQRVHXXST-GOSISDBHSA-N 0 3 327.428 3.090 50 0 EGAAHN Cc1cc(=O)oc2cc(CN(Cc3cnn(C)c3)CC(C)C)ccc12 ZINC000055568808 214330441 /nfs/dbraw/zinc/33/04/41/214330441.db2.gz JHBUGMHVMALELF-UHFFFAOYSA-N 0 3 339.439 3.493 50 0 EGAAHN CN1CCC(Oc2ccc(NC(=O)Cc3cccs3)cc2)CC1 ZINC000098086233 219081392 /nfs/dbraw/zinc/08/13/92/219081392.db2.gz ODMNPSJBJYZQMK-UHFFFAOYSA-N 0 3 330.453 3.402 50 0 EGAAHN O=C1C[C@H]2CC[C@@H](CN1)N2Cc1ccc(OCc2ccccc2)cc1 ZINC000065529099 214947613 /nfs/dbraw/zinc/94/76/13/214947613.db2.gz BENFBOFHWNPZEJ-MOPGFXCFSA-N 0 3 336.435 3.119 50 0 EGAAHN CC(C)CC[C@H](CC(=O)NCCN(C)C)[C@@H]1CCOC(C)(C)C1 ZINC000004084480 210115904 /nfs/dbraw/zinc/11/59/04/210115904.db2.gz LHZAEUFCMPVBIP-IAGOWNOFSA-N 0 3 326.525 3.312 50 0 biogenic EGAAHN COc1ccc(CCNCC(=O)c2c[nH]c3ccccc23)cc1OC ZINC000004013859 210099721 /nfs/dbraw/zinc/09/97/21/210099721.db2.gz 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/nfs/dbraw/zinc/23/29/08/216232908.db2.gz LRBKLEZGJSIYGH-RBUKOAKNSA-N 0 3 326.440 3.047 50 0 EGAAHN Cn1c(CN2CCC(Cn3ccnc3)CC2)cc2cc(F)ccc21 ZINC000215752161 241143297 /nfs/dbraw/zinc/14/32/97/241143297.db2.gz XECYTKZAKKDXPB-UHFFFAOYSA-N 0 3 326.419 3.426 50 0 EGAAHN O=C1NC[C@@]2(CCCN(Cc3cnc(-c4ccccc4)s3)CC2)O1 ZINC000215850507 241150127 /nfs/dbraw/zinc/15/01/27/241150127.db2.gz MPDJEHVSCUGCAD-SFHVURJKSA-N 0 3 343.452 3.275 50 0 EGAAHN CC[C@@H](NC(=O)c1cccc(CN2CCCCCC2)c1)[C@H]1C[C@H](O)C1 ZINC000244678757 243056685 /nfs/dbraw/zinc/05/66/85/243056685.db2.gz IJLCMHWYSGVSAL-VAMGGRTRSA-N 0 3 344.499 3.342 50 0 EGAAHN C[C@H](C(=O)NC1CCCC1)N(C)CCc1nc2ccc(Cl)cc2[nH]1 ZINC000244678771 243058287 /nfs/dbraw/zinc/05/82/87/243058287.db2.gz IJTRVCPOWBIJRX-GFCCVEGCSA-N 0 3 348.878 3.138 50 0 EGAAHN Cc1ccc(CN2CCN(CCCC3CCCC3)C[C@@H]2CCO)o1 ZINC000020449288 212129749 /nfs/dbraw/zinc/12/97/49/212129749.db2.gz AHEOHSPJOYHPTF-IBGZPJMESA-N 0 3 334.504 3.427 50 0 EGAAHN CCCCc1nc2cc(C(=O)NC[C@@]3(C)CCN(C)C3)ccc2o1 ZINC000019838960 212073822 /nfs/dbraw/zinc/07/38/22/212073822.db2.gz WFQGFQGLJKBZPW-LJQANCHMSA-N 0 3 329.444 3.242 50 0 EGAAHN COc1cccc(CN2CCN([C@H]3CCC[C@@H](C)C3)CC2)c1OC ZINC000019832031 212073003 /nfs/dbraw/zinc/07/30/03/212073003.db2.gz GGVGEFVMFZWFFU-AEFFLSMTSA-N 0 3 332.488 3.400 50 0 EGAAHN CSc1ccccc1C(=O)[C@@H]1CCCN(C2CCN(C)CC2)C1 ZINC000019795004 212069384 /nfs/dbraw/zinc/06/93/84/212069384.db2.gz OXKWGNVKKKORPQ-OAHLLOKOSA-N 0 3 332.513 3.397 50 0 EGAAHN Cc1ccc(N2C(=O)C[C@@H](NCCc3cccc(Cl)c3)C2=O)cc1 ZINC000019794404 212068915 /nfs/dbraw/zinc/06/89/15/212068915.db2.gz UZWNYNKEKZALTN-QGZVFWFLSA-N 0 3 342.826 3.113 50 0 EGAAHN O=C(c1ccccc1)c1ccc(OC[C@@H](O)CN2CCCCC2)cc1 ZINC000004196867 296260435 /nfs/dbraw/zinc/26/04/35/296260435.db2.gz QAGYZDAQFJOVLF-IBGZPJMESA-N 0 3 339.435 3.143 50 0 EGAAHN COc1ccc(-c2cc3c(c(OC)c2)OCCN(CC(C)C)C3)nn1 ZINC000012209379 211322157 /nfs/dbraw/zinc/32/21/57/211322157.db2.gz MFXDLNNEFOKCOX-UHFFFAOYSA-N 0 3 343.427 3.011 50 0 EGAAHN CC(C)=CCN[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000012030022 211280924 /nfs/dbraw/zinc/28/09/24/211280924.db2.gz WPVZOTHWWDLSGK-AWEZNQCLSA-N 0 3 326.362 3.362 50 0 EGAAHN C[C@@H](CN1C(=O)CC[C@@H]1CCNCc1cccnc1)c1ccccc1 ZINC000011881200 211265393 /nfs/dbraw/zinc/26/53/93/211265393.db2.gz MJPOPKQFHXFYQG-FXAWDEMLSA-N 0 3 337.467 3.356 50 0 EGAAHN c1cc(CN2CCC[C@@H](Nc3ccccc3)C2)n(-c2ncccn2)c1 ZINC000011820729 211251903 /nfs/dbraw/zinc/25/19/03/211251903.db2.gz RIUXEURSCNFYEC-GOSISDBHSA-N 0 3 333.439 3.344 50 0 EGAAHN O=C(c1ccc(F)c(Cl)c1)N1C[C@@H]2CC[C@H](C1)N(CC1CC1)C2 ZINC000091695554 218049917 /nfs/dbraw/zinc/04/99/17/218049917.db2.gz DCENXKJMPDQJCN-UKRRQHHQSA-N 0 3 336.838 3.426 50 0 EGAAHN CC(C)(C)c1ccc(C(=O)[C@@H]2CCCN(C(=O)C(C)(C)N)C2)cc1 ZINC000091677326 218046052 /nfs/dbraw/zinc/04/60/52/218046052.db2.gz AQCXAOJKEVLCLE-OAHLLOKOSA-N 0 3 330.472 3.143 50 0 EGAAHN COc1ccc2cc(CN3C[C@H]4CC[C@@H]3CN(C(C)=O)C4)ccc2c1 ZINC000091817952 218070430 /nfs/dbraw/zinc/07/04/30/218070430.db2.gz RQEBSWRVJLXURK-FXAWDEMLSA-N 0 3 338.451 3.291 50 0 EGAAHN CC(C)(C)c1cc(CN2CC[C@@H](Cc3ccc(CO)cc3)C2)[nH]n1 ZINC000091943843 218092254 /nfs/dbraw/zinc/09/22/54/218092254.db2.gz WWSOKTNCHJVRTB-KRWDZBQOSA-N 0 3 327.472 3.264 50 0 EGAAHN Cc1nc[nH]c1CN1CCC[C@@](C)(Cc2ccc3c(c2)OCO3)C1 ZINC000091985597 218098139 /nfs/dbraw/zinc/09/81/39/218098139.db2.gz BMWQSDYCCBCQLH-IBGZPJMESA-N 0 3 327.428 3.292 50 0 EGAAHN COCC[C@]1(O)CCN(Cc2cc(C(C)C)ccc2OC)C[C@H]1C ZINC000091986298 218098980 /nfs/dbraw/zinc/09/89/80/218098980.db2.gz FELCLGVGRFEMOT-OXQOHEQNSA-N 0 3 335.488 3.428 50 0 EGAAHN CCC[C@@]1(CO)CCCN(c2ccc(CN3CCCCC3)cn2)C1 ZINC000092004183 218103375 /nfs/dbraw/zinc/10/33/75/218103375.db2.gz WSIPDRZAWWTEQO-HXUWFJFHSA-N 0 3 331.504 3.447 50 0 EGAAHN NC(=O)c1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)cc1 ZINC000010330322 211164324 /nfs/dbraw/zinc/16/43/24/211164324.db2.gz YJCYBMRHTFMLMK-UHFFFAOYSA-N 0 3 337.423 3.024 50 0 EGAAHN CC(C)CC[C@@]1(CC(=O)NCCN(C)C)CCO[C@H](C(C)C)C1 ZINC000009476570 211086916 /nfs/dbraw/zinc/08/69/16/211086916.db2.gz JAKKBZMJWNEQIG-PKOBYXMFSA-N 0 3 326.525 3.312 50 0 EGAAHN CN1C(=O)[C@H](c2ccccc2)CC12CCN(Cc1ccncc1)CC2 ZINC000095392832 218325198 /nfs/dbraw/zinc/32/51/98/218325198.db2.gz CAAQEZURSJRKLR-IBGZPJMESA-N 0 3 335.451 3.062 50 0 EGAAHN CCOc1ccc2nc(CN3CCC(c4nnc[nH]4)CC3)ccc2c1 ZINC000097492465 219029939 /nfs/dbraw/zinc/02/99/39/219029939.db2.gz NTVOJNODRBHNJV-UHFFFAOYSA-N 0 3 337.427 3.131 50 0 EGAAHN O=C(NC[C@@H]1C[C@H](F)CN1)Nc1ccccc1Cc1ccccc1 ZINC000097551350 219034296 /nfs/dbraw/zinc/03/42/96/219034296.db2.gz QJSMPMLZRYBCES-IRXDYDNUSA-N 0 3 327.403 3.099 50 0 EGAAHN Cc1ncsc1CCOc1cccc(CNC[C@H]2CCCO2)c1 ZINC000299785798 258092946 /nfs/dbraw/zinc/09/29/46/258092946.db2.gz LOURKZVDHSOFQN-QGZVFWFLSA-N 0 3 332.469 3.342 50 0 EGAAHN Cc1ccc(N2C(=O)C[C@H](N3CCC[C@@H]4CCCC[C@H]43)C2=O)cc1 ZINC000229897448 292126918 /nfs/dbraw/zinc/12/69/18/292126918.db2.gz NZUUPLWSKJXMDC-JQHSSLGASA-N 0 3 326.440 3.282 50 0 EGAAHN Cc1cc(C(=O)NC[C@@H](c2ccccc2)N2CCCCCC2)on1 ZINC000097655578 301133193 /nfs/dbraw/zinc/13/31/93/301133193.db2.gz ARTPFYSSTZUBDU-KRWDZBQOSA-N 0 3 327.428 3.330 50 0 EGAAHN Cc1ccc(CC2(O)CCN(CCOc3ccc(O)cc3)CC2)cc1 ZINC000000007382 452492418 /nfs/dbraw/zinc/49/24/18/452492418.db2.gz VKMFDKYCIKEDMR-UHFFFAOYSA-N 0 3 341.451 3.149 50 0 in-vitro EGAAHN CCN(CC)CCSc1nnc2c3cc(F)ccc3n(C)c2n1 ZINC000002205864 452690946 /nfs/dbraw/zinc/69/09/46/452690946.db2.gz CBDNCFPVVCMFOD-UHFFFAOYSA-N 0 3 333.436 3.090 50 0 aggregator EGAAHN C[C@@H]1C[C@@H](C)CN(CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1 ZINC000002284585 452692049 /nfs/dbraw/zinc/69/20/49/452692049.db2.gz CZYMHGWYHILMFZ-HUUCEWRRSA-N 0 3 325.456 3.031 50 0 EGAAHN C1=CC[C@@H](CN2CCOc3ccc(CN4CCOCC4)cc3C2)CC1 ZINC000014992939 453550768 /nfs/dbraw/zinc/55/07/68/453550768.db2.gz ZSPADRMKCPSSEA-GOSISDBHSA-N 0 3 342.483 3.070 50 0 EGAAHN CCN1CCC[C@H](NC(=O)N(C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000052593779 453839006 /nfs/dbraw/zinc/83/90/06/453839006.db2.gz OSENQFCTCDGKOZ-HNNXBMFYSA-N 0 3 343.393 3.331 50 0 EGAAHN Cc1nc2ccccc2nc1CN1CCC(CCn2cccn2)CC1 ZINC000077341489 454093913 /nfs/dbraw/zinc/09/39/13/454093913.db2.gz JEQUMIWBZRSDAZ-UHFFFAOYSA-N 0 3 335.455 3.437 50 0 EGAAHN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CCN2CCCC2)s1 ZINC000077355649 454096419 /nfs/dbraw/zinc/09/64/19/454096419.db2.gz BBSBJLITIGVFLV-HNNXBMFYSA-N 0 3 342.530 3.086 50 0 EGAAHN CCOC(=O)C[C@H]1CCCCN1Cc1ccccc1Cn1cccn1 ZINC000077454761 454107862 /nfs/dbraw/zinc/10/78/62/454107862.db2.gz OWYITWAXLKKIJX-LJQANCHMSA-N 0 3 341.455 3.239 50 0 EGAAHN COc1c(CNC[C@@H]2CCN(c3ccc(Cl)cc3)C2)c(C)nn1C ZINC000058307260 454182828 /nfs/dbraw/zinc/18/28/28/454182828.db2.gz NLNQOPZMTRULBQ-AWEZNQCLSA-N 0 3 348.878 3.007 50 0 EGAAHN COCOCc1ccccc1[C@]1(O)CCN(C)C[C@H]1c1ccccc1 ZINC000095080279 454194673 /nfs/dbraw/zinc/19/46/73/454194673.db2.gz ICWWTOIOUJQNDU-LEWJYISDSA-N 0 3 341.451 3.114 50 0 EGAAHN Cc1cc(N2CCC[C@H](C(=O)c3ccc(Cl)cc3C)C2)nc(N)n1 ZINC000071749039 454212812 /nfs/dbraw/zinc/21/28/12/454212812.db2.gz KHHSSETZXGGMEL-ZDUSSCGKSA-N 0 3 344.846 3.428 50 0 EGAAHN Cc1ccnc(NC[C@@H]2CCN(Cc3nnc(-c4ccccc4)o3)C2)c1 ZINC000097200679 454424136 /nfs/dbraw/zinc/42/41/36/454424136.db2.gz FQZPWGUNCCGGAT-INIZCTEOSA-N 0 3 349.438 3.374 50 0 EGAAHN Cc1ccoc1C(=O)N(CCc1ccccc1)C1CCN(C)CC1 ZINC000063855793 454455570 /nfs/dbraw/zinc/45/55/70/454455570.db2.gz ZJDGFUHFGZDLKI-UHFFFAOYSA-N 0 3 326.440 3.367 50 0 EGAAHN CC[C@@H](c1ccccn1)n1cc(-c2cc(CN(C)C)cs2)nn1 ZINC000092081847 454519445 /nfs/dbraw/zinc/51/94/45/454519445.db2.gz QPPCEJNANPXKQC-INIZCTEOSA-N 0 3 327.457 3.463 50 0 EGAAHN CC[C@H](O)CN1CC=C(c2cnn(Cc3cccc(C)c3)c2)CC1 ZINC000065492439 454577405 /nfs/dbraw/zinc/57/74/05/454577405.db2.gz NKTZQUPCBHLQLN-FQEVSTJZSA-N 0 3 325.456 3.100 50 0 EGAAHN CC(C)(C)CN1CCN(C/C=C/c2ccc(F)cc2)C[C@H]1CCO ZINC000105275926 454632726 /nfs/dbraw/zinc/63/27/26/454632726.db2.gz QFBDTFMRZFZTRC-VZSQWMKGSA-N 0 3 334.479 3.254 50 0 EGAAHN Cc1nc(CN2CCCN(Cc3ccc(F)cc3)[C@@H](C(C)C)C2)no1 ZINC000107028222 454737972 /nfs/dbraw/zinc/73/79/72/454737972.db2.gz MKGDNCZHVAJTKE-GOSISDBHSA-N 0 3 346.450 3.250 50 0 EGAAHN CCN1CCC[C@H]1CNC(=O)N(Cc1ccccn1)C1CCCCC1 ZINC000426740437 457890130 /nfs/dbraw/zinc/89/01/30/457890130.db2.gz JEIPYRSPZPWCOC-IBGZPJMESA-N 0 3 344.503 3.410 50 0 EGAAHN CCC[C@H](CNC(=O)N(C)Cc1cccc2cnccc21)N(C)C ZINC000534588372 459336038 /nfs/dbraw/zinc/33/60/38/459336038.db2.gz LYKQLVYAENEKLS-QGZVFWFLSA-N 0 3 328.460 3.107 50 0 EGAAHN O=C(NCc1ccc(CO)cc1)c1ccc(CN2CCCCC2)cc1 ZINC000648970376 462350318 /nfs/dbraw/zinc/35/03/18/462350318.db2.gz GBHCMMKXIDRPSI-UHFFFAOYSA-N 0 3 338.451 3.095 50 0 EGAAHN Cc1c(NC(=O)N2CCC[C@@H](N(C)C)C2)cccc1-n1cccc1 ZINC000299774561 525841331 /nfs/dbraw/zinc/84/13/31/525841331.db2.gz HESCSLXKOSOXNJ-MRXNPFEDSA-N 0 3 326.444 3.344 50 0 EGAAHN CCNCc1cc(C[C@H]2CC(=O)N(c3ccccc3)C2)ccc1OC ZINC000244787924 535478298 /nfs/dbraw/zinc/47/82/98/535478298.db2.gz QGIXQCCFEFTPAP-KRWDZBQOSA-N 0 3 338.451 3.400 50 0 EGAAHN CCN1CCC[C@H]1CNC(=O)Nc1ccc(Oc2cccnc2)cc1 ZINC000244794604 535600394 /nfs/dbraw/zinc/60/03/94/535600394.db2.gz QQAIDMLTNOQLIU-INIZCTEOSA-N 0 3 340.427 3.480 50 0 EGAAHN Cc1ccc(C)c(CC(=O)NC[C@H]2CCCN(Cc3ccoc3)C2)c1 ZINC000827848264 1292386988 /nfs/dbraw/zinc/38/69/88/1292386988.db2.gz ABHWLLOQQOLTNB-GOSISDBHSA-N 0 3 340.467 3.467 50 0 EGAAHN CCOc1ccccc1-c1nn2c(nnc2C2CCN(C)CC2)s1 ZINC000823399328 1320175484 /nfs/dbraw/zinc/17/54/84/1320175484.db2.gz JQXPJJXNZMRSSG-UHFFFAOYSA-N 0 3 343.456 3.061 50 0 EGAAHN Cc1ccc(-c2nn3c(nnc3C3CCN(C)CC3)s2)cc1C ZINC000823765986 1320204222 /nfs/dbraw/zinc/20/42/22/1320204222.db2.gz NLDLDWNKFWNBIJ-UHFFFAOYSA-N 0 3 327.457 3.279 50 0 EGAAHN COCCN1CCC[C@H](c2nc(C)nn2Cc2ccc(Cl)cc2)C1 ZINC000824413146 1320255176 /nfs/dbraw/zinc/25/51/76/1320255176.db2.gz KCWHMUZVYNHNTI-INIZCTEOSA-N 0 3 348.878 3.114 50 0 EGAAHN Cc1ccc(-c2n[nH]cc2CNCc2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000952965436 1334626519 /nfs/dbraw/zinc/62/65/19/1334626519.db2.gz FGQMJIOHGBZBJL-UHFFFAOYSA-N 0 3 333.395 3.257 50 0 EGAAHN CCCc1cc(CNC2CCN(C(=O)c3cccs3)CC2)on1 ZINC000952979745 1334629183 /nfs/dbraw/zinc/62/91/83/1334629183.db2.gz OKJCRAPOVVACAQ-UHFFFAOYSA-N 0 3 333.457 3.083 50 0 EGAAHN C[C@H](CN1CCc2ccccc2C1)NCc1cnc(-c2ccco2)nc1 ZINC000952981110 1334630150 /nfs/dbraw/zinc/63/01/50/1334630150.db2.gz CBIWJALSNRIXOC-MRXNPFEDSA-N 0 3 348.450 3.273 50 0 EGAAHN Cc1ccc(N2CCN(C[C@H]3CCC(=O)N(C(C)C)C3)CC2)c(C)c1 ZINC001772805027 1441417485 /nfs/dbraw/zinc/41/74/85/1441417485.db2.gz GOOVEOBKQLPTMO-LJQANCHMSA-N 0 3 343.515 3.072 50 0 EGAAHN CCCC(=O)Nc1cccc(C(=O)N[C@H]2CCCN(CCC)C2)c1 ZINC000055107745 214273523 /nfs/dbraw/zinc/27/35/23/214273523.db2.gz NJDUYWHDDLSVLE-KRWDZBQOSA-N 0 3 331.460 3.029 50 0 EGAAHN Cc1ccsc1CCN[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000004689948 210249541 /nfs/dbraw/zinc/24/95/41/210249541.db2.gz HCNISADSMFSXGF-AWEZNQCLSA-N 0 3 348.855 3.174 50 0 EGAAHN CC[C@@H](C)N(Cc1ccsc1)Cc1ccccc1OCC(N)=O ZINC000055371413 214314187 /nfs/dbraw/zinc/31/41/87/214314187.db2.gz GJTRELFZWYNCRV-CQSZACIVSA-N 0 3 332.469 3.413 50 0 EGAAHN COc1cccc(CN[C@H](C)c2ncccc2C)c1OCCN(C)C ZINC000055414464 214322633 /nfs/dbraw/zinc/32/26/33/214322633.db2.gz PTWSJBSUKDVANP-MRXNPFEDSA-N 0 3 343.471 3.190 50 0 EGAAHN O=C(NCCc1ccccc1)C1CCN(Cc2cccs2)CC1 ZINC000004679549 210245446 /nfs/dbraw/zinc/24/54/46/210245446.db2.gz RFHWGQIGNMXTPA-UHFFFAOYSA-N 0 3 328.481 3.319 50 0 EGAAHN COc1cc(CN[C@@H](C)c2ccccc2)cc(Cl)c1OCC(N)=O ZINC000004657449 210240053 /nfs/dbraw/zinc/24/00/53/210240053.db2.gz KBWZTLRIHXSXHJ-LBPRGKRZSA-N 0 3 348.830 3.064 50 0 EGAAHN CC(C)(C)NC(=O)COc1ccc(CNCc2ccc(F)cc2)cc1 ZINC000004657562 210240170 /nfs/dbraw/zinc/24/01/70/210240170.db2.gz QLXNVKDQMWQVCP-UHFFFAOYSA-N 0 3 344.430 3.409 50 0 EGAAHN COc1cc(CNC[C@H](C)O)cc(Cl)c1OCc1cccs1 ZINC000004488592 210201850 /nfs/dbraw/zinc/20/18/50/210201850.db2.gz PXQOUHZNTBKIFP-NSHDSACASA-N 0 3 341.860 3.460 50 0 EGAAHN Cc1nn(-c2ccc(F)cc2)c(C)c1CN[C@H](C)Cn1ccnc1 ZINC000067459917 215149801 /nfs/dbraw/zinc/14/98/01/215149801.db2.gz BEGWZQHISUPWHZ-CYBMUJFWSA-N 0 3 327.407 3.003 50 0 EGAAHN Cc1ccc(CN2CC[C@H](CNC(=O)CC(F)(F)F)C2)cc1F ZINC000067840127 215225575 /nfs/dbraw/zinc/22/55/75/215225575.db2.gz INZNAVOBVWEUKD-CYBMUJFWSA-N 0 3 332.341 3.025 50 0 EGAAHN O=C(NCC[C@@H]1CCCN(Cc2ccco2)C1)c1cccc(O)c1 ZINC000067935087 215253343 /nfs/dbraw/zinc/25/33/43/215253343.db2.gz GUNCJZSDYUBCRN-HNNXBMFYSA-N 0 3 328.412 3.017 50 0 EGAAHN Cc1cc(N2CCC(c3n[nH]cc3-c3ccccc3)CC2)nc(N)n1 ZINC000067955726 215259635 /nfs/dbraw/zinc/25/96/35/215259635.db2.gz UPBXWVXNRGEXOG-UHFFFAOYSA-N 0 3 334.427 3.141 50 0 EGAAHN COc1ccccc1-c1cccc(C(=O)NC[C@H]2CCCN(C)C2)c1 ZINC000067975321 215265090 /nfs/dbraw/zinc/26/50/90/215265090.db2.gz FFZYDWPIVXOHLG-MRXNPFEDSA-N 0 3 338.451 3.434 50 0 EGAAHN CN(C)CCN1CCO[C@H](CC(c2ccccc2)c2ccccc2)C1 ZINC000071388642 215767414 /nfs/dbraw/zinc/76/74/14/215767414.db2.gz CNOJGMHIPHLYCD-OAQYLSRUSA-N 0 3 338.495 3.471 50 0 EGAAHN Cc1ccc([C@@H]2CN(C(=O)c3ccco3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072133652 216022583 /nfs/dbraw/zinc/02/25/83/216022583.db2.gz CAOLCQZIZPERHJ-DFQSSKMNSA-N 0 3 336.435 3.290 50 0 EGAAHN CCCCC(=O)N1C[C@H](c2cccc(OC)c2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072143663 216028877 /nfs/dbraw/zinc/02/88/77/216028877.db2.gz RIDTWPTXZHVANI-HMXCVIKNSA-N 0 3 342.483 3.274 50 0 EGAAHN COc1ccc(-c2n[nH]cc2CN2CC(N3CCCC[C@H]3C)C2)cc1 ZINC000072164110 216052857 /nfs/dbraw/zinc/05/28/57/216052857.db2.gz FKQVMLCDCCWCJZ-OAHLLOKOSA-N 0 3 340.471 3.144 50 0 EGAAHN Cc1ccc([C@@H]2CN(C(=O)c3ccncc3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072170526 216061680 /nfs/dbraw/zinc/06/16/80/216061680.db2.gz SCHJVKKQVBTBOV-PWRODBHTSA-N 0 3 347.462 3.092 50 0 EGAAHN CN1CCC(N(CCc2ccccc2)C(=O)c2cccc(O)c2)CC1 ZINC000072421107 216209479 /nfs/dbraw/zinc/20/94/79/216209479.db2.gz PYHHYMXRPYTIOD-UHFFFAOYSA-N 0 3 338.451 3.171 50 0 EGAAHN CC(C)Cc1ccc(CN2CCC[C@H](Nc3nccc(N)n3)C2)cc1 ZINC000072423021 216212303 /nfs/dbraw/zinc/21/23/03/216212303.db2.gz YQYWGFGKCQCADS-SFHVURJKSA-N 0 3 339.487 3.334 50 0 EGAAHN Cc1ncsc1C(=O)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000072436563 216232378 /nfs/dbraw/zinc/23/23/78/216232378.db2.gz AJJGZUIVIAJCJK-UHFFFAOYSA-N 0 3 341.480 3.114 50 0 EGAAHN CN1CCCC[C@H]1CNc1cc(-c2ccc(F)cc2)nc2ccnn21 ZINC000072474139 216251885 /nfs/dbraw/zinc/25/18/85/216251885.db2.gz IBAVEXHCESZZAL-INIZCTEOSA-N 0 3 339.418 3.432 50 0 EGAAHN CCN(CC)C(=O)[C@H]1CCCN(C/C=C/c2ccccc2OC)C1 ZINC000023282004 212366827 /nfs/dbraw/zinc/36/68/27/212366827.db2.gz BWYUKIDRIHUSNP-MZEUMTGBSA-N 0 3 330.472 3.289 50 0 EGAAHN O=C(Cc1cccc(C(F)(F)F)c1)N1CC[C@H](N2CCCCC2)C1 ZINC000216394229 241188810 /nfs/dbraw/zinc/18/88/10/241188810.db2.gz GVFRXEMWLPDKSM-INIZCTEOSA-N 0 3 340.389 3.335 50 0 EGAAHN COc1ccc(CN2CCN(C3CCC(C)CC3)CC2)cc1OC ZINC000019842248 212075819 /nfs/dbraw/zinc/07/58/19/212075819.db2.gz PSZJSPYOCDRXCB-UHFFFAOYSA-N 0 3 332.488 3.400 50 0 EGAAHN CC(=O)N1CCC(N2CCC[C@@H](C(=O)c3ccc(Cl)cc3)C2)CC1 ZINC000012225733 211325150 /nfs/dbraw/zinc/32/51/50/211325150.db2.gz FXOQZPXDMJNVQS-MRXNPFEDSA-N 0 3 348.874 3.246 50 0 EGAAHN Fc1ccc(N[C@H]2CCCN(Cc3cccc4nonc43)C2)cc1 ZINC000011661689 211229768 /nfs/dbraw/zinc/22/97/68/211229768.db2.gz XYZLMMBZBWWGAG-INIZCTEOSA-N 0 3 326.375 3.438 50 0 EGAAHN OCc1ccc(C[C@H]2CCN(Cc3ccc4c(c3)OCCO4)C2)cc1 ZINC000092062140 218112273 /nfs/dbraw/zinc/11/22/73/218112273.db2.gz SMLDFOQZTHYSQB-LJQANCHMSA-N 0 3 339.435 3.015 50 0 EGAAHN Cc1cccc([C@@H](C(=O)N(C)Cc2cc(C(C)(C)C)[nH]n2)N(C)C)c1 ZINC000095366694 218298655 /nfs/dbraw/zinc/29/86/55/218298655.db2.gz AWHAYKRIRASORG-SFHVURJKSA-N 0 3 342.487 3.277 50 0 EGAAHN Cc1cc(C)nc(CNC(=O)c2ccc(CN3CCCCC3)cc2)n1 ZINC000095365907 218297717 /nfs/dbraw/zinc/29/77/17/218297717.db2.gz NEJMNKXWYZWNHN-UHFFFAOYSA-N 0 3 338.455 3.009 50 0 EGAAHN COc1ccc([C@@H]2CN(C(=O)c3cc(C)oc3C)C[C@H]2N(C)C)cc1 ZINC000095369131 218301215 /nfs/dbraw/zinc/30/12/15/218301215.db2.gz NEKGVUVLCKTNFE-RBUKOAKNSA-N 0 3 342.439 3.075 50 0 EGAAHN CCOc1ccc(N2C(=O)C[C@H](NCCC3=CCCCC3)C2=O)cc1 ZINC000004778718 210277135 /nfs/dbraw/zinc/27/71/35/210277135.db2.gz ZVQKARZSMYIVHK-SFHVURJKSA-N 0 3 342.439 3.197 50 0 EGAAHN O=C(NCCN1CCCC1)Nc1cccc(NC(=O)C2CCCC2)c1 ZINC000299780516 258089442 /nfs/dbraw/zinc/08/94/42/258089442.db2.gz CRIFQTPHISRIPE-UHFFFAOYSA-N 0 3 344.459 3.033 50 0 EGAAHN O=C1NCCCC[C@@H]1NCc1cccc(OCc2cccc(F)c2)c1 ZINC000299783194 258091459 /nfs/dbraw/zinc/09/14/59/258091459.db2.gz UOKFLGSXDPFHFQ-IBGZPJMESA-N 0 3 342.414 3.163 50 0 EGAAHN O=C(Nc1ccc(Cl)cc1)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000299790129 258096083 /nfs/dbraw/zinc/09/60/83/258096083.db2.gz BBZOIAPHCHBHEI-INIZCTEOSA-N 0 3 337.851 3.105 50 0 EGAAHN Cc1cc(C)c2c(ncnc2N2CCN(C3CCCCC3)CC2)n1 ZINC000095354073 280410668 /nfs/dbraw/zinc/41/06/68/280410668.db2.gz KZFKFQVCYFJOCP-UHFFFAOYSA-N 0 3 325.460 3.096 50 0 EGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)CCO2 ZINC000000146717 452521865 /nfs/dbraw/zinc/52/18/65/452521865.db2.gz FZLDBHNRUKRSBM-UHFFFAOYSA-N 0 3 336.435 3.016 50 0 EGAAHN c1coc(CN2CCC(N3CCN(c4ccccc4)CC3)CC2)c1 ZINC000000207675 452537388 /nfs/dbraw/zinc/53/73/88/452537388.db2.gz ZNGMBRXEPMMKLH-UHFFFAOYSA-N 0 3 325.456 3.066 50 0 EGAAHN Cc1ccc2c(c1)c1c(n2C[C@@H](O)CN2CCCCC2)C(=O)CCC1 ZINC000000572136 452626106 /nfs/dbraw/zinc/62/61/06/452626106.db2.gz UNJIHQZEAXZTTC-INIZCTEOSA-N 0 3 340.467 3.316 50 0 EGAAHN Cc1ccc(CNC(=O)C2CCN(Cc3cccc(O)c3)CC2)cc1 ZINC000000819270 452637096 /nfs/dbraw/zinc/63/70/96/452637096.db2.gz AZFMNNIWCNAVTG-UHFFFAOYSA-N 0 3 338.451 3.229 50 0 EGAAHN COc1ccc(CNCCc2ccc(OC)c(OC)c2)c(OC)c1 ZINC000002734936 452718438 /nfs/dbraw/zinc/71/84/38/452718438.db2.gz KUVPFMWMGIYZSH-UHFFFAOYSA-N 0 3 331.412 3.053 50 0 EGAAHN CN(CCOC(=O)COc1ccc(Cl)cc1)Cc1ccccc1 ZINC000002902232 452733648 /nfs/dbraw/zinc/73/36/48/452733648.db2.gz SLYNGFZSWUOYIS-UHFFFAOYSA-N 0 3 333.815 3.394 50 0 EGAAHN CCN1CCC(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000013326173 453458271 /nfs/dbraw/zinc/45/82/71/453458271.db2.gz WQYIGOSMSFARCY-LLVKDONJSA-N 0 3 345.270 3.361 50 0 EGAAHN O=C1C[C@H](NCc2cccc3cccnc32)CN1Cc1cccc(F)c1 ZINC000014976472 453549889 /nfs/dbraw/zinc/54/98/89/453549889.db2.gz VPKFKYRGRLVHBE-IBGZPJMESA-N 0 3 349.409 3.265 50 0 EGAAHN CN(Cc1cccnc1)C(=O)C1(N2CCCCC2)Cc2ccccc2C1 ZINC000015067126 453553147 /nfs/dbraw/zinc/55/31/47/453553147.db2.gz KWBBCUGDOLWROV-UHFFFAOYSA-N 0 3 349.478 3.064 50 0 EGAAHN CCN1CCC[C@H]1Cn1cnc2c([nH]c3cccc(Cl)c32)c1=O ZINC000020479282 453666423 /nfs/dbraw/zinc/66/64/23/453666423.db2.gz HSUZCJBKRXUKKI-NSHDSACASA-N 0 3 330.819 3.016 50 0 EGAAHN CN1CCN(C2(CNC(=O)c3cccc(Cl)c3)CCCCC2)CC1 ZINC000027741745 453820117 /nfs/dbraw/zinc/82/01/17/453820117.db2.gz WYGKXYXBHXCCKK-UHFFFAOYSA-N 0 3 349.906 3.020 50 0 EGAAHN FC(F)(F)c1ccc(N2CCC[C@@H](NCc3ccoc3)C2)nc1 ZINC000067871587 453974931 /nfs/dbraw/zinc/97/49/31/453974931.db2.gz ZSEWIKJBIROEFT-CQSZACIVSA-N 0 3 325.334 3.452 50 0 EGAAHN c1cnn(CC[C@@H]2CCCCN2Cc2ccc3c(c2)OCCO3)c1 ZINC000077454966 454107872 /nfs/dbraw/zinc/10/78/72/454107872.db2.gz TUKNLSFUQHMQNH-KRWDZBQOSA-N 0 3 327.428 3.099 50 0 EGAAHN Cc1cc(N2CCC([C@@H](C)N3CCOCC3)CC2)nc2ccccc12 ZINC000077470035 454109146 /nfs/dbraw/zinc/10/91/46/454109146.db2.gz ZMBLYQABHDIFDR-QGZVFWFLSA-N 0 3 339.483 3.480 50 0 EGAAHN CN(C)CCN1CCO[C@@H](CC(c2ccccc2)c2ccccc2)C1 ZINC000071388643 454206207 /nfs/dbraw/zinc/20/62/07/454206207.db2.gz CNOJGMHIPHLYCD-NRFANRHFSA-N 0 3 338.495 3.471 50 0 EGAAHN O[C@@H]1C[C@H]2CN(Cc3ccc(-c4ccccc4Cl)o3)C[C@H]2C[C@@H]1O ZINC000071662636 454210752 /nfs/dbraw/zinc/21/07/52/454210752.db2.gz KXFQKOAVRIEICL-VUWOVVPOSA-N 0 3 347.842 3.164 50 0 EGAAHN NC(=O)CCN1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000071760436 454215652 /nfs/dbraw/zinc/21/56/52/454215652.db2.gz YIIXVKWBAIKRQB-LJQANCHMSA-N 0 3 336.435 3.124 50 0 EGAAHN CN(Cc1ncccn1)C[C@H]1CCCN(CCc2ccccc2F)C1 ZINC000095529469 454229278 /nfs/dbraw/zinc/22/92/78/454229278.db2.gz JSMNLGHCHDNGLH-QGZVFWFLSA-N 0 3 342.462 3.002 50 0 EGAAHN Cc1nc2sccc2c(N2CCC(N3CCSCC3)CC2)n1 ZINC000095527668 454229321 /nfs/dbraw/zinc/22/93/21/454229321.db2.gz FFCMURRVJVKJDM-UHFFFAOYSA-N 0 3 334.514 3.017 50 0 EGAAHN CN1CCCCC[C@@H]1C(=O)N1CCC(Oc2cccc(F)c2)CC1 ZINC000091364675 454430166 /nfs/dbraw/zinc/43/01/66/454430166.db2.gz IJJWIRSWOBSSSJ-GOSISDBHSA-N 0 3 334.435 3.070 50 0 EGAAHN Cc1cc(-n2nc(C(C)C)nc2COC[C@@H]2CCCCO2)ccn1 ZINC000065468106 454572991 /nfs/dbraw/zinc/57/29/91/454572991.db2.gz CUYXJVDADKNNOK-INIZCTEOSA-N 0 3 330.432 3.180 50 0 EGAAHN O=C(c1ccccn1)N1CCC[C@@H]1[C@H]1CCCN1Cc1ccccc1 ZINC000106580849 454703336 /nfs/dbraw/zinc/70/33/36/454703336.db2.gz OIXBDLWIKITHDB-WOJBJXKFSA-N 0 3 335.451 3.351 50 0 EGAAHN COCCNCc1ccc(C[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 ZINC000299763591 456779144 /nfs/dbraw/zinc/77/91/44/456779144.db2.gz YGHPRZRJEHVYEU-LJQANCHMSA-N 0 3 338.451 3.018 50 0 EGAAHN Cc1[nH]c2ccc(Cl)cc2c1CCNC(=O)N1CC[C@@H](N(C)C)C1 ZINC000426395947 457821522 /nfs/dbraw/zinc/82/15/22/457821522.db2.gz LUUYRPRQKUUMCS-CQSZACIVSA-N 0 3 348.878 3.018 50 0 EGAAHN COc1ccc(/C=C/CN2CCCN(Cc3ccccn3)CC2)cc1 ZINC000216312164 536596614 /nfs/dbraw/zinc/59/66/14/536596614.db2.gz KARQWZMKWKWDRU-GQCTYLIASA-N 0 3 337.467 3.311 50 0 EGAAHN CC(=O)CCc1ccc(OCCCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000016488532 1291174539 /nfs/dbraw/zinc/17/45/39/1291174539.db2.gz CGUXEYUIMGMKLL-HDICACEKSA-N 0 3 333.472 3.476 50 0 EGAAHN CCCOC(=O)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072410414 1292276539 /nfs/dbraw/zinc/27/65/39/1292276539.db2.gz BGZQFHHZKKUNSJ-RCCFBDPRSA-N 0 3 332.419 3.234 50 0 EGAAHN CCOc1cc(CN2C[C@H]3C[C@@]3(C)C2)ccc1OCCn1ccnc1 ZINC001772808248 1441417470 /nfs/dbraw/zinc/41/74/70/1441417470.db2.gz KFSIFLJRXDQRSL-XLIONFOSSA-N 0 3 341.455 3.203 50 0 EGAAHN Cc1cccc(N2CCN(C[C@@H]3CCC(=O)N(C(C)C)C3)CC2)c1C ZINC001772812907 1441417539 /nfs/dbraw/zinc/41/75/39/1441417539.db2.gz RVYSIVRZPCUFSD-IBGZPJMESA-N 0 3 343.515 3.072 50 0 EGAAHN Cc1cc(Cl)cc2c(N3CCC4(CC3)CN(C)CCO4)ccnc12 ZINC001772818809 1441417691 /nfs/dbraw/zinc/41/76/91/1441417691.db2.gz LMVIZVHFMURCSD-UHFFFAOYSA-N 0 3 345.874 3.498 50 0 EGAAHN CN(C)C[C@@H](O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004306024 282118256 /nfs/dbraw/zinc/11/82/56/282118256.db2.gz RBXFQXAZTYENNM-WRUMOOJNSA-N 0 3 329.484 3.456 50 0 EGAAHN COCCN(CCn1c(=O)oc2ccccc21)Cc1sccc1C ZINC000055099104 214271878 /nfs/dbraw/zinc/27/18/78/214271878.db2.gz GOGDXIQFDWPZFW-UHFFFAOYSA-N 0 3 346.452 3.113 50 0 EGAAHN CCOc1ccc(CN(CCN(C)C)Cc2ccsc2)cc1CO ZINC000055242899 214293509 /nfs/dbraw/zinc/29/35/09/214293509.db2.gz QYJNKFGYJXRIBI-UHFFFAOYSA-N 0 3 348.512 3.203 50 0 EGAAHN Cn1nnnc1SCCNCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000004488486 210201132 /nfs/dbraw/zinc/20/11/32/210201132.db2.gz MFDYVUQIVFRHBY-UHFFFAOYSA-N 0 3 349.847 3.005 50 0 EGAAHN CC(C)c1noc(C2CCN(CCC(=O)N3CCC[C@H](C)C3)CC2)n1 ZINC000065431666 214906985 /nfs/dbraw/zinc/90/69/85/214906985.db2.gz GVWDPQUSGZITRC-HNNXBMFYSA-N 0 3 348.491 3.021 50 0 EGAAHN Oc1cccc2ccc(CN3CCCN(Cc4ccncc4)CC3)nc12 ZINC000067542095 215159646 /nfs/dbraw/zinc/15/96/46/215159646.db2.gz HIJLLVAKIMFWAB-UHFFFAOYSA-N 0 3 348.450 3.043 50 0 EGAAHN CNC(=O)CC1CCN(Cc2c(C)cc(C)c(C(C)=O)c2C)CC1 ZINC000067841616 215227275 /nfs/dbraw/zinc/22/72/75/215227275.db2.gz BSXGIILPJBAOHE-UHFFFAOYSA-N 0 3 330.472 3.163 50 0 EGAAHN CCCCN1CCN(Cc2cc3ccc(Cl)cc3[nH]c2=O)CC1 ZINC000067855605 215232850 /nfs/dbraw/zinc/23/28/50/215232850.db2.gz MGJXRWSGCLMAQM-UHFFFAOYSA-N 0 3 333.863 3.099 50 0 EGAAHN O=C(NC[C@H]1CCN(Cc2ccccn2)C1)Nc1ccccc1Cl ZINC000067934960 215253597 /nfs/dbraw/zinc/25/35/97/215253597.db2.gz FOPWUPCANXCCBK-CQSZACIVSA-N 0 3 344.846 3.379 50 0 EGAAHN COc1ccccc1-c1cccc(C(=O)NC[C@@H]2CCCN(C)C2)c1 ZINC000067975323 215265563 /nfs/dbraw/zinc/26/55/63/215265563.db2.gz FFZYDWPIVXOHLG-INIZCTEOSA-N 0 3 338.451 3.434 50 0 EGAAHN CC(C)CN1CCN(Cc2ccc(C(F)(F)F)cc2)C[C@H]1CCO ZINC000104479472 219389068 /nfs/dbraw/zinc/38/90/68/219389068.db2.gz PXVZAMYRIVDFQH-QGZVFWFLSA-N 0 3 344.421 3.230 50 0 EGAAHN Cc1nn2c(c1-c1ccccc1)NC(=O)C2CC(=O)Nc1ccccc1 ZINC000072453068 216240038 /nfs/dbraw/zinc/24/00/38/216240038.db2.gz NWLJSYOCFPYDFR-MRXNPFEDSA-N 0 3 346.390 3.381 50 0 EGAAHN Cc1cc(N[C@@H]2CCN(C)C[C@@H]2Cc2ccccc2)n2nccc2n1 ZINC000072456649 216242620 /nfs/dbraw/zinc/24/26/20/216242620.db2.gz IOVRGZYCWNLLLU-ZWKOTPCHSA-N 0 3 335.455 3.013 50 0 EGAAHN COc1ccc(CN2CCCN(Cc3cccnc3)CC2)c(C)c1C ZINC000215016217 241102377 /nfs/dbraw/zinc/10/23/77/241102377.db2.gz KPSXFKLBVOHPOX-UHFFFAOYSA-N 0 3 339.483 3.415 50 0 EGAAHN COc1ccc(CN(C)[C@H](C)c2ccon2)cc1CN1CCCC1 ZINC000215159952 241107557 /nfs/dbraw/zinc/10/75/57/241107557.db2.gz NBTNQNGTIDJYCZ-OAHLLOKOSA-N 0 3 329.444 3.472 50 0 EGAAHN COc1ccc(CN(C)[C@H](C)c2ccncn2)cc1CN1CCCC1 ZINC000215195036 241112088 /nfs/dbraw/zinc/11/20/88/241112088.db2.gz INRDHTNWUISHHD-MRXNPFEDSA-N 0 3 340.471 3.274 50 0 EGAAHN COc1ccccc1/C=C/CN1CCN(CCC(C)C)[C@@H](CCO)C1 ZINC000020913998 212185659 /nfs/dbraw/zinc/18/56/59/212185659.db2.gz FHWLUPWASBPFNA-IEJURRBGSA-N 0 3 346.515 3.123 50 0 EGAAHN Cc1ccn(CCN2CCC(c3nc4cc(F)ccc4[nH]3)CC2)n1 ZINC000244685631 243057635 /nfs/dbraw/zinc/05/76/35/243057635.db2.gz 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/nfs/dbraw/zinc/04/29/81/218042981.db2.gz GPAUJHZYQLJOII-LJQANCHMSA-N 0 3 342.487 3.401 50 0 EGAAHN CCn1nc(C(C)C)cc1C(=O)N(C)[C@@H](CN(C)C)c1ccccc1 ZINC000091664481 218043620 /nfs/dbraw/zinc/04/36/20/218043620.db2.gz GPAUJHZYQLJOII-IBGZPJMESA-N 0 3 342.487 3.401 50 0 EGAAHN Cc1cccc(CN2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2ccccc2)n1 ZINC000091725173 218054793 /nfs/dbraw/zinc/05/47/93/218054793.db2.gz FZARPWODKMDPNP-AZUAARDMSA-N 0 3 335.451 3.013 50 0 EGAAHN CCc1ccc(CN2CCC3(CC(=O)N(CC=C(C)C)C3)CC2)nc1 ZINC000091746562 218058311 /nfs/dbraw/zinc/05/83/11/218058311.db2.gz RBTYEJJLIOWSBN-UHFFFAOYSA-N 0 3 341.499 3.425 50 0 EGAAHN COCC[C@@]1(CO)CCCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000092080931 218117007 /nfs/dbraw/zinc/11/70/07/218117007.db2.gz SMBHHXOYERPUSV-INIZCTEOSA-N 0 3 331.378 3.316 50 0 EGAAHN CC(=O)Nc1cccc(NC(=O)c2ccc(CN3CCCC3)cc2)c1 ZINC000010326135 211164593 /nfs/dbraw/zinc/16/45/93/211164593.db2.gz PHMKLVJJRBVLEW-UHFFFAOYSA-N 0 3 337.423 3.493 50 0 EGAAHN CCc1ccc(CN2C[C@H]3CC[C@@H]2CN(Cc2cccnc2)C3)nc1 ZINC000095392809 218325067 /nfs/dbraw/zinc/32/50/67/218325067.db2.gz JQTZEWIVJUSHBC-PZJWPPBQSA-N 0 3 336.483 3.135 50 0 EGAAHN CCOc1ccc(-c2ccc(CN(C)[C@H](C)CC(=O)NC)o2)cc1 ZINC000215968787 258072005 /nfs/dbraw/zinc/07/20/05/258072005.db2.gz PFPGLJSBGZYNBP-CQSZACIVSA-N 0 3 330.428 3.302 50 0 EGAAHN COc1ccc([C@@H]2CN(c3cnc4ccccc4n3)C[C@H]2N(C)C)cc1 ZINC000091476894 274116948 /nfs/dbraw/zinc/11/69/48/274116948.db2.gz GETBPTKYFVTNHG-FXAWDEMLSA-N 0 3 348.450 3.172 50 0 EGAAHN CN1CCC([C@]2(O)c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000021299166 277035147 /nfs/dbraw/zinc/03/51/47/277035147.db2.gz HSLLZISLOQPUNP-FQEVSTJZSA-N 0 3 342.870 3.411 50 0 in-vitro EGAAHN COc1cc(OC)cc(C(=O)N2CCN([C@H]3CCC[C@H](C)C3)CC2)c1 ZINC000000239857 452544456 /nfs/dbraw/zinc/54/44/56/452544456.db2.gz YLTGSPQHHXLLCQ-RDJZCZTQSA-N 0 3 346.471 3.040 50 0 EGAAHN FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(N2CCNCC2)n1 ZINC000002554508 452704059 /nfs/dbraw/zinc/70/40/59/452704059.db2.gz HIELPGTZCKKRCS-UHFFFAOYSA-N 0 3 342.752 3.225 50 0 EGAAHN CCOC(=O)C1CCN(CCCOc2ccccc2Cl)CC1 ZINC000006702754 452973391 /nfs/dbraw/zinc/97/33/91/452973391.db2.gz RZAZNRZZCSGRHM-UHFFFAOYSA-N 0 3 325.836 3.384 50 0 EGAAHN CN(CC1CCN(CCc2ccccc2F)CC1)C(=O)c1ccoc1 ZINC000012586666 453379488 /nfs/dbraw/zinc/37/94/88/453379488.db2.gz XRXIJVGUZBNNGH-UHFFFAOYSA-N 0 3 344.430 3.445 50 0 EGAAHN OCCOc1ccccc1CN1CCC[C@@H](Nc2ccc(F)cc2)C1 ZINC000014980472 453549709 /nfs/dbraw/zinc/54/97/09/453549709.db2.gz MSCYHVWPIXHPBB-LJQANCHMSA-N 0 3 344.430 3.273 50 0 EGAAHN COc1cc(CN2CCC[C@@H](CO)C2)ccc1OCc1ccccc1 ZINC000023281947 453708486 /nfs/dbraw/zinc/70/84/86/453708486.db2.gz UXIQTIAKLOTOFO-LJQANCHMSA-N 0 3 341.451 3.479 50 0 EGAAHN Cc1ccc(OCC(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 ZINC000027582153 453818865 /nfs/dbraw/zinc/81/88/65/453818865.db2.gz IINZPFXRQKNWPR-KRWDZBQOSA-N 0 3 344.480 3.389 50 0 EGAAHN Cc1ccc([C@H](CNC(=O)COc2cccc(C)c2C)N(C)C)cc1 ZINC000028290557 453822911 /nfs/dbraw/zinc/82/29/11/453822911.db2.gz OPGKPXWCGDGLMR-IBGZPJMESA-N 0 3 340.467 3.410 50 0 EGAAHN c1cnn(CCC2CCN(Cc3cccc(Cn4cccn4)c3)CC2)c1 ZINC000077394598 454101928 /nfs/dbraw/zinc/10/19/28/454101928.db2.gz JPMNNAUKPCPLBR-UHFFFAOYSA-N 0 3 349.482 3.430 50 0 EGAAHN COc1ccc(OC)c([C@H]2CCN(Cc3ccc(N(C)C)nc3)C2)c1 ZINC000077439591 454106467 /nfs/dbraw/zinc/10/64/67/454106467.db2.gz KIOKSQGQKLQFMJ-INIZCTEOSA-N 0 3 341.455 3.154 50 0 EGAAHN COc1ccc2ccccc2c1CN1C[C@@H](C(C)C)[C@H](NC(C)=O)C1 ZINC000077535944 454119069 /nfs/dbraw/zinc/11/90/69/454119069.db2.gz KURZYTHNFDBRLN-AZUAARDMSA-N 0 3 340.467 3.441 50 0 EGAAHN COc1ccc(Br)cc1CNCCOc1ccccn1 ZINC000057356047 454121274 /nfs/dbraw/zinc/12/12/74/454121274.db2.gz OBCKIXBJTFRWSY-UHFFFAOYSA-N 0 3 337.217 3.021 50 0 EGAAHN c1cnn(CC[C@@H]2CCCCN2Cc2cnc(-c3ccco3)nc2)c1 ZINC000077565957 454124200 /nfs/dbraw/zinc/12/42/00/454124200.db2.gz LOYLGIATVMEAQM-KRWDZBQOSA-N 0 3 337.427 3.378 50 0 EGAAHN O=C(CCc1ccccn1)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2 ZINC000095377974 454198834 /nfs/dbraw/zinc/19/88/34/454198834.db2.gz RDXYEEOTZVZZQM-TZIWHRDSSA-N 0 3 349.478 3.137 50 0 EGAAHN CC(C)N1CCN(c2ccc(-c3cccc(F)c3C(N)=O)cc2)CC1 ZINC000096136457 454290760 /nfs/dbraw/zinc/29/07/60/454290760.db2.gz CXBDNZLEQHIFEJ-UHFFFAOYSA-N 0 3 341.430 3.122 50 0 EGAAHN c1ccc([C@H]2CCN(CCNc3nccc(-c4cccnc4)n3)C2)cc1 ZINC000096180489 454298567 /nfs/dbraw/zinc/29/85/67/454298567.db2.gz FXTBYJYYOILRQR-IBGZPJMESA-N 0 3 345.450 3.440 50 0 EGAAHN CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@@H]3CN1CCSCC1 ZINC000061997590 454365359 /nfs/dbraw/zinc/36/53/59/454365359.db2.gz KKBQRPDZWUMLQT-FXRXJOCMSA-N 0 3 335.513 3.494 50 0 biogenic EGAAHN O=C(CCN1CCC[C@@H](Oc2ccc(F)cc2)C1)Nc1nccs1 ZINC000065370519 454555318 /nfs/dbraw/zinc/55/53/18/454555318.db2.gz UVNNOSOSJVICCR-OAHLLOKOSA-N 0 3 349.431 3.154 50 0 EGAAHN CC(=O)N(CC1=CCCN(CCCOc2ccccc2)C1)C1CC1 ZINC000065409870 454561463 /nfs/dbraw/zinc/56/14/63/454561463.db2.gz CLSLFJFPRXKSKK-UHFFFAOYSA-N 0 3 328.456 3.099 50 0 EGAAHN Cc1ccccc1-c1ncc(CN2CCC3(CNC(=O)C3)CC2)s1 ZINC000065500277 454578718 /nfs/dbraw/zinc/57/87/18/454578718.db2.gz RHRIMYUWFGXFEI-UHFFFAOYSA-N 0 3 341.480 3.221 50 0 EGAAHN CN(C)[C@H]1CCCN(C(=O)c2ccc(COc3ccccc3)cc2)C1 ZINC000264447564 455215431 /nfs/dbraw/zinc/21/54/31/455215431.db2.gz UWJVDXJOQGYYSC-IBGZPJMESA-N 0 3 338.451 3.432 50 0 EGAAHN CCN1CCC[C@H]1CNC(=O)C[C@H](c1ccsc1)n1cccc1 ZINC000263588844 456178499 /nfs/dbraw/zinc/17/84/99/456178499.db2.gz ZEHYKHOEBGWMCH-DLBZAZTESA-N 0 3 331.485 3.130 50 0 EGAAHN CCOc1ccc(CN(C(=O)NC[C@@H]2CCCCN2C)C2CC2)cc1 ZINC000426433658 457829533 /nfs/dbraw/zinc/82/95/33/457829533.db2.gz MTTDSFUOBMKMQP-SFHVURJKSA-N 0 3 345.487 3.244 50 0 EGAAHN COc1ccc(-c2cccc(C(=O)N(C)[C@H]3CCN(C)C3)c2)c(F)c1 ZINC000426487743 457840013 /nfs/dbraw/zinc/84/00/13/457840013.db2.gz ZCYQVKCJNYQIAQ-INIZCTEOSA-N 0 3 342.414 3.277 50 0 EGAAHN Cc1nc(C)c(-c2ccc(C(=O)NCCN3CCCC3)cc2)s1 ZINC000426545170 457853066 /nfs/dbraw/zinc/85/30/66/457853066.db2.gz SACMHTYHFWAQHT-UHFFFAOYSA-N 0 3 329.469 3.253 50 0 EGAAHN O=C(NC1(CN2CCCCC2)CC1)N1CCCC[C@@H]1c1nccs1 ZINC000534676129 459346079 /nfs/dbraw/zinc/34/60/79/459346079.db2.gz UIONTMFUKGMQJF-OAHLLOKOSA-N 0 3 348.516 3.398 50 0 EGAAHN CC[C@@H](C(=O)Nc1ccccc1CN1CCCCC1)n1cccn1 ZINC000952985237 1334630588 /nfs/dbraw/zinc/63/05/88/1334630588.db2.gz FRXZYXZPDQSUHW-SFHVURJKSA-N 0 3 326.444 3.459 50 0 EGAAHN c1cnn(CCC2CCN(C[C@@H]3CC(c4ccccc4)=NO3)CC2)c1 ZINC001704353878 1416453949 /nfs/dbraw/zinc/45/39/49/1416453949.db2.gz UWULUWFNDNXKKP-IBGZPJMESA-N 0 3 338.455 3.178 50 0 EGAAHN CC(C)(C)c1ccc(C(=O)CCCN2CCC([C@@H](O)CO)CC2)cc1 ZINC001772812774 1441417524 /nfs/dbraw/zinc/41/75/24/1441417524.db2.gz QJPJYBMWCBIVPI-FQEVSTJZSA-N 0 3 347.499 3.012 50 0 EGAAHN CC[C@H](C)Oc1cccc(CN2CCC(Cc3nncn3C)CC2)c1 ZINC000055282640 214301225 /nfs/dbraw/zinc/30/12/25/214301225.db2.gz OVTUYCFLYHSNSR-INIZCTEOSA-N 0 3 342.487 3.447 50 0 EGAAHN Cc1ccc(CN(CCCO)Cc2ccc(-n3cncn3)cc2)s1 ZINC000055326845 214308202 /nfs/dbraw/zinc/30/82/02/214308202.db2.gz WFNIQBQLRYITLA-UHFFFAOYSA-N 0 3 342.468 3.022 50 0 EGAAHN CN1CCC(Oc2ccc(NC(=O)COc3ccccc3)cc2)CC1 ZINC000065362090 214874954 /nfs/dbraw/zinc/87/49/54/214874954.db2.gz ONKPICUJGBJYOB-UHFFFAOYSA-N 0 3 340.423 3.177 50 0 EGAAHN Fc1ccc(Oc2ncccc2CN[C@H]2CN3CCC2CC3)cc1F ZINC000067561057 215162051 /nfs/dbraw/zinc/16/20/51/215162051.db2.gz KVCIFETYQZWLNO-SFHVURJKSA-N 0 3 345.393 3.336 50 0 EGAAHN O=C(c1cccnc1)[C@H]1CCCN(Cc2cc3ccccc3[nH]c2=O)C1 ZINC000067648847 215173302 /nfs/dbraw/zinc/17/33/02/215173302.db2.gz KNYIYDKFPKALQL-KRWDZBQOSA-N 0 3 347.418 3.018 50 0 EGAAHN CC(C)=CCN1CCN(Cc2cccc3cccnc32)C[C@H]1CCO ZINC000104409448 219385072 /nfs/dbraw/zinc/38/50/72/219385072.db2.gz YCIWFQOYGLJSFL-HXUWFJFHSA-N 0 3 339.483 3.070 50 0 EGAAHN CCN1CCC[C@H]1CNC(=O)c1cc(Br)ccc1Cl ZINC000037975158 213179167 /nfs/dbraw/zinc/17/91/67/213179167.db2.gz JTGJJBGSIMXEEB-NSHDSACASA-N 0 3 345.668 3.317 50 0 EGAAHN c1cn(-c2ccc(CN3CCC[C@H](OCc4ccccn4)C3)cc2)cn1 ZINC000072138729 216026625 /nfs/dbraw/zinc/02/66/25/216026625.db2.gz XSNJNWWXKKZDAC-NRFANRHFSA-N 0 3 348.450 3.449 50 0 EGAAHN CCc1cc(N2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)ncn1 ZINC000072148979 216036351 /nfs/dbraw/zinc/03/63/51/216036351.db2.gz ATEXXEDBLMWGLW-HMXCVIKNSA-N 0 3 334.467 3.106 50 0 EGAAHN c1csc(CN2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)n1 ZINC000072150039 216037898 /nfs/dbraw/zinc/03/78/98/216037898.db2.gz GHQIDVCBNYRACR-QXAKKESOSA-N 0 3 325.481 3.205 50 0 EGAAHN Cc1nccn1C[C@@H]1CCCN(Cc2c[nH]c3cc(=O)ccc-3c2)C1 ZINC000072174545 216064600 /nfs/dbraw/zinc/06/46/00/216064600.db2.gz DITADBCFKMQAFA-MRXNPFEDSA-N 0 3 336.439 3.358 50 0 EGAAHN CC(C)(O)CCc1cccc(C(=O)N2CCC[C@H]2CN2CCCC2)c1 ZINC000072419506 216207514 /nfs/dbraw/zinc/20/75/14/216207514.db2.gz JAQWMYLQAGRPJQ-IBGZPJMESA-N 0 3 344.499 3.091 50 0 EGAAHN Cc1cc2nc(-c3ccccc3)cc(N(C)C[C@]3(C)CCN(C)C3)n2n1 ZINC000072433908 216228716 /nfs/dbraw/zinc/22/87/16/216228716.db2.gz MYGYWWCFCQDDJC-OAQYLSRUSA-N 0 3 349.482 3.483 50 0 EGAAHN Cc1[nH]c2c(cccc2CN2CCC[C@@]3(CN(C)C(=O)O3)C2)c1C ZINC000072458410 216243539 /nfs/dbraw/zinc/24/35/39/216243539.db2.gz IHQLRBCPIIEWHP-LJQANCHMSA-N 0 3 327.428 3.201 50 0 EGAAHN CCOc1ccc(CN2CCN(CC3CC3)CC2)c(OCC)c1C ZINC000215744386 241143008 /nfs/dbraw/zinc/14/30/08/241143008.db2.gz ZRDIGTQJWTXIOL-UHFFFAOYSA-N 0 3 332.488 3.320 50 0 EGAAHN CSc1ccccc1-c1nc(-c2c(C)ncc3c2CCNC3)no1 ZINC000020995939 212195825 /nfs/dbraw/zinc/19/58/25/212195825.db2.gz HELAKCZOEMFCML-UHFFFAOYSA-N 0 3 338.436 3.475 50 0 EGAAHN OC[C@@H]1CCCN1Cc1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000020856152 212176668 /nfs/dbraw/zinc/17/66/68/212176668.db2.gz BHHUAQWFKXWFLY-IBGZPJMESA-N 0 3 333.435 3.496 50 0 EGAAHN CC(C)C[C@H]1COCCN1CCC(=O)NCc1cccc(Cl)c1 ZINC000244723588 243069457 /nfs/dbraw/zinc/06/94/57/243069457.db2.gz MEDXVSVWHBZIDQ-KRWDZBQOSA-N 0 3 338.879 3.093 50 0 EGAAHN COc1cccc(CN2CCN(C3CCC(C)CC3)CC2)c1OC ZINC000019788290 212066746 /nfs/dbraw/zinc/06/67/46/212066746.db2.gz WNYOGWMHNDOBCB-UHFFFAOYSA-N 0 3 332.488 3.400 50 0 EGAAHN CC[C@H](C)N1CCN(Cc2cc(Br)ccc2OC)CC1 ZINC000019358987 212021585 /nfs/dbraw/zinc/02/15/85/212021585.db2.gz MJSJBRSJEVXTHY-ZDUSSCGKSA-N 0 3 341.293 3.374 50 0 EGAAHN CN(CCc1ccccc1)[C@@H]1CCCN(C(=O)CCc2ccco2)C1 ZINC000012075003 211286041 /nfs/dbraw/zinc/28/60/41/211286041.db2.gz IAZMVJDITFHLLZ-LJQANCHMSA-N 0 3 340.467 3.378 50 0 EGAAHN CCn1nc(CC(C)C)cc1C(=O)N1CCCC[C@H]1CN1CCCC1 ZINC000091391462 218000973 /nfs/dbraw/zinc/00/09/73/218000973.db2.gz RQJKVJJEYMPOAN-SFHVURJKSA-N 0 3 346.519 3.192 50 0 EGAAHN O=C(N[C@H]1CCCN(CC2CCCCC2)C1)c1cc(C2CC2)on1 ZINC000011774851 211246656 /nfs/dbraw/zinc/24/66/56/211246656.db2.gz GMFPXAHVUIRZCO-INIZCTEOSA-N 0 3 331.460 3.327 50 0 EGAAHN CCCN1C[C@H]2CC[C@@H]1CN(C(=O)C(C)(C)Oc1cccc(C)c1)C2 ZINC000091808412 218069938 /nfs/dbraw/zinc/06/99/38/218069938.db2.gz MPKDCNRQTRWZKB-QZTJIDSGSA-N 0 3 344.499 3.485 50 0 EGAAHN CC(C)(C)c1cc(CN2CC[C@H](Cc3ccc(CO)cc3)C2)[nH]n1 ZINC000091943842 218092756 /nfs/dbraw/zinc/09/27/56/218092756.db2.gz WWSOKTNCHJVRTB-QGZVFWFLSA-N 0 3 327.472 3.264 50 0 EGAAHN CCOCCN1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N(CC)C2 ZINC000095353178 218287471 /nfs/dbraw/zinc/28/74/71/218287471.db2.gz QLUJPBOTQWLNLP-IBGZPJMESA-N 0 3 344.499 3.141 50 0 EGAAHN CCc1cccc(OCCCN(C)C(=O)[C@H]2CCCCCN2C)c1 ZINC000095387518 218318992 /nfs/dbraw/zinc/31/89/92/218318992.db2.gz DJPGOKPKMPQUMM-LJQANCHMSA-N 0 3 332.488 3.351 50 0 EGAAHN C[C@@H](Cc1ccsc1)NC(=O)C1CCN(Cc2ccco2)CC1 ZINC000095392110 218323838 /nfs/dbraw/zinc/32/38/38/218323838.db2.gz RSOMOINWWGLGKI-AWEZNQCLSA-N 0 3 332.469 3.301 50 0 EGAAHN S=C(NCCN1CCCCC1)Nc1ccc(Br)cc1 ZINC000004749830 210269956 /nfs/dbraw/zinc/26/99/56/210269956.db2.gz YQEKOWIWTHUKPX-UHFFFAOYSA-N 0 3 342.306 3.221 50 0 EGAAHN O=C(NCc1cnc2c(c1)CCC2)C1(N2CCCCC2)CCCCC1 ZINC000426477182 257967665 /nfs/dbraw/zinc/96/76/65/257967665.db2.gz IQSRDBWLEQLORA-UHFFFAOYSA-N 0 3 341.499 3.375 50 0 EGAAHN O=C(N[C@H]1CCCN(C2CCCC2)C1)c1cccc(-c2ncc[nH]2)c1 ZINC000299760332 258077399 /nfs/dbraw/zinc/07/73/99/258077399.db2.gz QHFVEFRMDQOGSO-KRWDZBQOSA-N 0 3 338.455 3.214 50 0 EGAAHN Cc1ccc([C@@H]2CN(C(=O)CCC(F)(F)F)C[C@H]2N(C)C)cc1 ZINC000095519048 301744240 /nfs/dbraw/zinc/74/42/40/301744240.db2.gz MPILVSBHYDPLJI-LSDHHAIUSA-N 0 3 328.378 3.194 50 0 EGAAHN CCN1CCN(c2ccc(NC(=O)c3cccnc3Cl)cc2)CC1 ZINC000000342347 452565995 /nfs/dbraw/zinc/56/59/95/452565995.db2.gz QPMQPXRLVJTDPD-UHFFFAOYSA-N 0 3 344.846 3.129 50 0 EGAAHN COc1cccc(CN2CCC(C(=O)N3CCC(C)CC3)CC2)c1 ZINC000000819329 452637704 /nfs/dbraw/zinc/63/77/04/452637704.db2.gz DKMHMWBVBCASKE-UHFFFAOYSA-N 0 3 330.472 3.166 50 0 EGAAHN Cc1cc(C)c(C(=O)N[C@H]2CCCN(CCc3ccccc3)C2)o1 ZINC000014967291 453549590 /nfs/dbraw/zinc/54/95/90/453549590.db2.gz OHVWRNRDKKHIDJ-SFHVURJKSA-N 0 3 326.440 3.333 50 0 EGAAHN S=C(Nc1ccc2c(c1)OCO2)N1CCN(C2CCCCC2)CC1 ZINC000017072296 453629364 /nfs/dbraw/zinc/62/93/64/453629364.db2.gz ZRXGHNOBWHXGBS-UHFFFAOYSA-N 0 3 347.484 3.062 50 0 EGAAHN CN(CCN1CCCCC1)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000019227494 453655172 /nfs/dbraw/zinc/65/51/72/453655172.db2.gz HWJPYYPCFQQPOU-UHFFFAOYSA-N 0 3 334.851 3.308 50 0 EGAAHN O=C(COc1ccccc1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000027584137 453819246 /nfs/dbraw/zinc/81/92/46/453819246.db2.gz UQKDNKFSLHVMPX-INIZCTEOSA-N 0 3 330.453 3.080 50 0 EGAAHN Cc1ccc([C@@H](CNc2ncc(Br)cn2)N(C)C)cc1 ZINC000067369891 453926152 /nfs/dbraw/zinc/92/61/52/453926152.db2.gz GHZDEZNCHVBNCN-CQSZACIVSA-N 0 3 335.249 3.262 50 0 EGAAHN CN1CCC[C@@H](CNC(=O)CSC23CC4CC(CC(C4)C2)C3)C1 ZINC000067712665 453959764 /nfs/dbraw/zinc/95/97/64/453959764.db2.gz YTGCHVHINIXYPV-ISOUWHGUSA-N 0 3 336.545 3.146 50 0 EGAAHN Cc1cc(N2CCC([C@H](C)N3CCOCC3)CC2)nc2ccccc12 ZINC000077470036 454109098 /nfs/dbraw/zinc/10/90/98/454109098.db2.gz ZMBLYQABHDIFDR-KRWDZBQOSA-N 0 3 339.483 3.480 50 0 EGAAHN Cc1cc(C(=O)N2CCC[N@H+](CC3CC3)[C@H](C(C)C)C2)ccc1[O-] ZINC000071751314 454213485 /nfs/dbraw/zinc/21/34/85/454213485.db2.gz AWKJDOOUYWPOKM-SFHVURJKSA-N 0 3 330.472 3.283 50 0 EGAAHN Cc1cc(C(=O)N2CCC[N@@H+](CC3CC3)[C@H](C(C)C)C2)ccc1[O-] ZINC000071751314 454213488 /nfs/dbraw/zinc/21/34/88/454213488.db2.gz AWKJDOOUYWPOKM-SFHVURJKSA-N 0 3 330.472 3.283 50 0 EGAAHN Cn1cnnc1Sc1ccc(CN2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2)o1 ZINC000071756962 454214265 /nfs/dbraw/zinc/21/42/65/454214265.db2.gz HAVBYLSJOLOMCM-CUFDPUGPSA-N 0 3 330.457 3.037 50 0 EGAAHN Cc1ccc(-c2n[nH]cc2CN(C[C@H]2CCC(=O)N2)C(C)C)cc1C ZINC000046173724 454224760 /nfs/dbraw/zinc/22/47/60/454224760.db2.gz PIZUUTFIJZJKPK-GOSISDBHSA-N 0 3 340.471 3.183 50 0 EGAAHN CN1CCC[C@H](c2nc(-c3ccncc3)nn2Cc2ccccc2)C1 ZINC000095510467 454225448 /nfs/dbraw/zinc/22/54/48/454225448.db2.gz BQAGAPUZTPAMPM-SFHVURJKSA-N 0 3 333.439 3.198 50 0 EGAAHN CN(C)C(=O)CN1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 ZINC000072143515 454272905 /nfs/dbraw/zinc/27/29/05/454272905.db2.gz HWLNHAXNLJVOHZ-AWEZNQCLSA-N 0 3 342.405 3.438 50 0 EGAAHN Cc1ccnc(NC[C@H]2CCN(Cc3nc4ccccc4n3C)C2)c1 ZINC000097200834 454422859 /nfs/dbraw/zinc/42/28/59/454422859.db2.gz QSRFGUCMOYIWRS-MRXNPFEDSA-N 0 3 335.455 3.211 50 0 EGAAHN CC(C)C[C@H](CN(C)C)NC(=O)c1cc(N)c(Cl)c(Cl)c1 ZINC000049551022 454552126 /nfs/dbraw/zinc/55/21/26/454552126.db2.gz LQUHMOAPKGHIEW-LLVKDONJSA-N 0 3 332.275 3.282 50 0 EGAAHN COc1ccc(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1 ZINC000065363853 454553680 /nfs/dbraw/zinc/55/36/80/454553680.db2.gz HJFQLXFBXQXUQT-UHFFFAOYSA-N 0 3 340.423 3.421 50 0 EGAAHN Cc1nc(CCN2CCN([C@@H]3CCc4ccccc4C3)CC2)cs1 ZINC000252500970 455815085 /nfs/dbraw/zinc/81/50/85/455815085.db2.gz UAMHCGZXCFBEPI-HXUWFJFHSA-N 0 3 341.524 3.169 50 0 EGAAHN Cc1nccn1CC1CCN(Cc2cc(-c3ccncc3)no2)CC1 ZINC000252500784 455815206 /nfs/dbraw/zinc/81/52/06/455815206.db2.gz TVINHTHERFEUHK-UHFFFAOYSA-N 0 3 337.427 3.154 50 0 EGAAHN CCCO[C@H]1CCCN(C(=O)C2(c3ccccc3)CCN(C)CC2)C1 ZINC000221440393 456043654 /nfs/dbraw/zinc/04/36/54/456043654.db2.gz ZBBNTWFJJATOMD-IBGZPJMESA-N 0 3 344.499 3.068 50 0 EGAAHN CCC[C@@H]1C=CCN1C(=O)NCC1(c2ccccc2)CCN(C)CC1 ZINC000426491408 457841785 /nfs/dbraw/zinc/84/17/85/457841785.db2.gz JRRBNPWRPZDKMP-LJQANCHMSA-N 0 3 341.499 3.400 50 0 EGAAHN c1cc(-c2cn(C[C@@H]3CCCN(Cc4ccccn4)C3)nn2)cs1 ZINC000023337238 1291234765 /nfs/dbraw/zinc/23/47/65/1291234765.db2.gz NJEVLVSLFCHTRR-OAHLLOKOSA-N 0 3 339.468 3.314 50 0 EGAAHN c1csc(CN2CCC[C@H](NCc3nc4ccccc4[nH]3)C2)c1 ZINC000952960130 1334624852 /nfs/dbraw/zinc/62/48/52/1334624852.db2.gz UHYJEYOOILSQGT-AWEZNQCLSA-N 0 3 326.469 3.379 50 0 EGAAHN Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)CN(C)C1CCCC1 ZINC000952967344 1334627268 /nfs/dbraw/zinc/62/72/68/1334627268.db2.gz YYLQQLXANVPRQM-UHFFFAOYSA-N 0 3 343.471 3.044 50 0 EGAAHN O[C@@H](c1cccs1)C1CCN(Cc2cccc3nonc32)CC1 ZINC000952976258 1334628203 /nfs/dbraw/zinc/62/82/03/1334628203.db2.gz LQZYRYKJKCWINQ-QGZVFWFLSA-N 0 3 329.425 3.230 50 0 EGAAHN Cc1nc[nH]c1CN(CCN(C)C)C(=O)c1ccc(CC(C)C)cc1 ZINC001704330833 1416445641 /nfs/dbraw/zinc/44/56/41/1416445641.db2.gz HDHHTFODQGAHFP-UHFFFAOYSA-N 0 3 342.487 3.121 50 0 EGAAHN O[C@@H]1CCC[C@@]12CCCN(Cc1ccc3c(c1)OC(F)(F)O3)C2 ZINC001704343265 1416449927 /nfs/dbraw/zinc/44/99/27/1416449927.db2.gz BANKRPSCBLUAHO-CVEARBPZSA-N 0 3 325.355 3.135 50 0 EGAAHN COc1cccc(COc2cccc(-c3nc4c([nH]3)CNCC4)c2)c1 ZINC000097619344 219042029 /nfs/dbraw/zinc/04/20/29/219042029.db2.gz VIBKKJWJRILWBB-UHFFFAOYSA-N 0 3 335.407 3.310 50 0 EGAAHN CCc1nccn1CCCNCc1cnc(-c2cccc(C)c2)nc1 ZINC000055134087 214277588 /nfs/dbraw/zinc/27/75/88/214277588.db2.gz FOXJPLGSIPQZNW-UHFFFAOYSA-N 0 3 335.455 3.391 50 0 EGAAHN CC(C)=CCC/C(C)=C/CN1CCC(n2cc(CCO)nn2)CC1 ZINC000055343768 214310171 /nfs/dbraw/zinc/31/01/71/214310171.db2.gz BOAJMLQNIUVWRT-REZTVBANSA-N 0 3 332.492 3.143 50 0 EGAAHN CC(=O)Nc1ccc(CN(CCN(C)C)Cc2ccsc2)cc1 ZINC000055404281 214320260 /nfs/dbraw/zinc/32/02/60/214320260.db2.gz PVOJNILXSUGAGV-UHFFFAOYSA-N 0 3 331.485 3.270 50 0 EGAAHN CCOc1ccc2nc(CN(C)[C@@H](C)Cc3cnccn3)ccc2c1 ZINC000097784982 219056624 /nfs/dbraw/zinc/05/66/24/219056624.db2.gz ULWZNJXUGZPWRX-HNNXBMFYSA-N 0 3 336.439 3.487 50 0 EGAAHN C[C@@H](Cc1cnccn1)N(C)Cc1ccc(OC(F)(F)F)cc1 ZINC000097785019 219056954 /nfs/dbraw/zinc/05/69/54/219056954.db2.gz MDOVRMMNLOLCAF-LBPRGKRZSA-N 0 3 325.334 3.438 50 0 EGAAHN CC(C)CC[C@@H](CC(=O)NCCN(C)C)[C@H]1CCOC(C)(C)C1 ZINC000004084481 210116123 /nfs/dbraw/zinc/11/61/23/210116123.db2.gz LHZAEUFCMPVBIP-IRXDYDNUSA-N 0 3 326.525 3.312 50 0 biogenic EGAAHN O=C(c1cccnc1)[C@@H]1CCCN(Cc2cc3ccccc3[nH]c2=O)C1 ZINC000067648850 215173556 /nfs/dbraw/zinc/17/35/56/215173556.db2.gz KNYIYDKFPKALQL-QGZVFWFLSA-N 0 3 347.418 3.018 50 0 EGAAHN CCOc1cc(CN2CCCC2)ccc1Oc1nccnc1OC ZINC000067758292 215206752 /nfs/dbraw/zinc/20/67/52/215206752.db2.gz MSWPWIDEOOICBO-UHFFFAOYSA-N 0 3 329.400 3.272 50 0 EGAAHN CN1[C@@H]2CC[C@H]1CCN(C(=O)Nc1cc(Cl)nc(Cl)c1)C2 ZINC000067820233 215221889 /nfs/dbraw/zinc/22/18/89/215221889.db2.gz IHHPUNFQOUDPFJ-WDEREUQCSA-N 0 3 329.231 3.089 50 0 EGAAHN CCOc1ccc(CN2CCN(CC(C)(C)C)C[C@H]2CCO)cc1 ZINC000104521209 219392942 /nfs/dbraw/zinc/39/29/42/219392942.db2.gz 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