smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCN1CCc2nc3sc(SC/C=C\c4ccccc4)nn3c(=O)c2C1 ZINC000206134736 559290263 /nfs/dbraw/zinc/29/02/63/559290263.db2.gz ZKUNNDGORAYBKA-YVMONPNESA-N 0 1 414.556 2.961 10 0 HFAEMN CC(C)NS(=O)(=O)c1c(F)c(Br)ccc1I ZINC000675072613 569261347 /nfs/dbraw/zinc/26/13/47/569261347.db2.gz ARNLPJDHZYYUAK-UHFFFAOYSA-N 0 1 422.057 2.880 10 0 HFAEMN C[C@H](Cc1cccs1)C(=O)N1CCC[C@@H](c2[nH]ncc2C(=O)N2CCOCC2)C1 ZINC000328604270 569417326 /nfs/dbraw/zinc/41/73/26/569417326.db2.gz JECYIJIIHKJQSN-HZPDHXFCSA-N 0 1 416.547 2.528 10 0 HFAEMN CC(=O)N1CCCN(Cc2ccc(-c3nc(-c4ccncc4)cc(=O)[nH]3)cc2)CC1 ZINC000048175496 568432345 /nfs/dbraw/zinc/43/23/45/568432345.db2.gz NIEGSTQUXCVNPC-UHFFFAOYSA-N 0 1 403.486 2.553 10 0 HFAEMN COc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2cc(-c3cccnc3)[nH]n2)C1 ZINC000096324802 568676280 /nfs/dbraw/zinc/67/62/80/568676280.db2.gz HHILSHMLWWRFJQ-MRXNPFEDSA-N 0 1 405.458 2.971 10 0 HFAEMN O=C([O-])C[C@@H]([NH2+]Cc1ccccc1)C(=O)c1ccn(S(=O)(=O)c2ccccc2)c1 ZINC000048546650 569358651 /nfs/dbraw/zinc/35/86/51/569358651.db2.gz VVPHURPRHYRQAJ-LJQANCHMSA-N 0 1 412.467 2.541 10 0 HFAEMN O=S(=O)(Cc1ccccc1)NC[C@H]1CCCN(Cc2cccc3c2OCO3)C1 ZINC000012587595 558434594 /nfs/dbraw/zinc/43/45/94/558434594.db2.gz XVQSAEXQYYFJKX-GOSISDBHSA-N 0 1 402.516 2.747 10 0 HFAEMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(OC)c(-c3noc(C)n3)c2)c1 ZINC000033013330 571308943 /nfs/dbraw/zinc/30/89/43/571308943.db2.gz JQSIUFRWJDWUCA-UHFFFAOYSA-N 0 1 405.432 2.872 10 0 HFAEMN COc1cccc(CN2CCC[C@H](NC(=O)c3ccc(N4CCOCC4)cc3)C2)c1 ZINC000012297996 132358194 /nfs/dbraw/zinc/35/81/94/132358194.db2.gz FLDHJXHCFBDREZ-NRFANRHFSA-N 0 1 409.530 2.926 10 0 HFAEMN CCc1ccc(NC(=O)c2cc(-c3ccc(OC)c(S(N)(=O)=O)c3)n[nH]2)cc1 ZINC000021806144 571315150 /nfs/dbraw/zinc/31/51/50/571315150.db2.gz FPODUNZVPJGLGW-UHFFFAOYSA-N 0 1 400.460 2.547 10 0 HFAEMN Cc1ccccc1C(=O)N1CCc2[nH]nc(C(=O)NCc3ccc4c(c3)OCO4)c2C1 ZINC000035936683 558796099 /nfs/dbraw/zinc/79/60/99/558796099.db2.gz PUFYAWJQMWCCRN-UHFFFAOYSA-N 0 1 418.453 2.575 10 0 HFAEMN CC[C@@H]1Oc2ccc(C)cc2N(CC(=O)NCCN2CCc3ccccc3C2)C1=O ZINC000002943340 132260335 /nfs/dbraw/zinc/26/03/35/132260335.db2.gz LWCGNRULTVVJPM-NRFANRHFSA-N 0 1 407.514 2.674 10 0 HFAEMN O=S(=O)(Cc1ccccc1)NC[C@@H]1CCCN(Cc2cccc3c2OCO3)C1 ZINC000012587587 558434634 /nfs/dbraw/zinc/43/46/34/558434634.db2.gz XVQSAEXQYYFJKX-SFHVURJKSA-N 0 1 402.516 2.747 10 0 HFAEMN COC/C=C1\C[N@H+]2[C@H]3C[C@]45c6c(c(OC)cc(OC)c6OC)N=C4OC[C@H]3[C@H]1C[C@H]25 ZINC000096023813 559147399 /nfs/dbraw/zinc/14/73/99/559147399.db2.gz RIMDDIPKIZTBHU-MTPHOHJNSA-N 0 1 412.486 2.689 10 0 biogenic HFAEMN Cc1ccccc1OC[C@H](O)CN(CCN1CCOCC1)Cc1ccc(F)cc1 ZINC000036102462 569091929 /nfs/dbraw/zinc/09/19/29/569091929.db2.gz STCXGRPNHAQRRA-JOCHJYFZSA-N 0 1 402.510 2.708 10 0 HFAEMN O=C(NCc1ccc(C(F)(F)F)cc1)[C@@H]1Cc2nc[nH]c2CN1C1CCOCC1 ZINC000015676371 291227884 /nfs/dbraw/zinc/22/78/84/291227884.db2.gz CHEIMVRKVJPDTM-SFHVURJKSA-N 0 1 408.424 2.651 10 0 biogenic HFAEMN COCCN(C)c1cnn([C@H]2CCCN(Cc3cccc(OC(C)C)c3)C2)c(=O)c1 ZINC000583615217 560776011 /nfs/dbraw/zinc/77/60/11/560776011.db2.gz XWVLLZMKIRRXKV-FQEVSTJZSA-N 0 1 414.550 2.950 10 0 HFAEMN O=C(NCc1ccccc1)[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2Cn1cc(-c2cccc(O)c2)nn1 ZINC000003838674 568868786 /nfs/dbraw/zinc/86/87/86/568868786.db2.gz OEANRZIYSOHWFI-DWLFOUALSA-N 0 1 417.513 2.678 10 0 biogenic HFAEMN COc1cccc(CN2CCC[C@@H](NC(=O)c3ccc(N4CCOCC4)cc3)C2)c1 ZINC000012297995 132358183 /nfs/dbraw/zinc/35/81/83/132358183.db2.gz FLDHJXHCFBDREZ-OAQYLSRUSA-N 0 1 409.530 2.926 10 0 HFAEMN O=C([C@@H]1CCCO1)N1CCC2(CC1)Nc1cccnc1N=C2NCc1ccccc1 ZINC000065265660 558737375 /nfs/dbraw/zinc/73/73/75/558737375.db2.gz SEWTXARVCIPHAZ-IBGZPJMESA-N 0 1 405.502 2.867 10 0 HFAEMN Cc1cc(C)c(CN2CCN(Cc3ccccc3CO)CC2)cc1Cn1cncn1 ZINC000055211122 558875989 /nfs/dbraw/zinc/87/59/89/558875989.db2.gz OZOBJRGNQSTLLL-UHFFFAOYSA-N 0 1 405.546 2.753 10 0 HFAEMN C[C@@H](Cc1cccs1)C(=O)N1CCC[C@H](c2[nH]ncc2C(=O)N2CCOCC2)C1 ZINC000328604269 569417305 /nfs/dbraw/zinc/41/73/05/569417305.db2.gz JECYIJIIHKJQSN-HOTGVXAUSA-N 0 1 416.547 2.528 10 0 HFAEMN CC(C)[C@H](O)CN1CCN(Cc2nc(C(=O)Nc3ccc4c(c3)CCC4)co2)CC1 ZINC000034677230 557364464 /nfs/dbraw/zinc/36/44/64/557364464.db2.gz JXBKALRQOXNSAI-OAQYLSRUSA-N 0 1 412.534 2.550 10 0 HFAEMN CCCc1c(C(=O)N2CCC[C@H](c3[nH]ncc3C(N)=O)C2)[nH]c(C)c1C(=O)OC ZINC000328602364 569416504 /nfs/dbraw/zinc/41/65/04/569416504.db2.gz BJTVKMRAWVFJLU-LBPRGKRZSA-N 0 1 401.467 2.688 10 0 HFAEMN O=C(NCCCN1CCN(c2ccc(F)cc2)CC1)c1coc(=O)c2ccccc12 ZINC000004192696 132272946 /nfs/dbraw/zinc/27/29/46/132272946.db2.gz SUFFBKKKZCCQTG-UHFFFAOYSA-N 0 1 409.461 2.874 10 0 HFAEMN Cc1ccc(C)c(N2CCN(CCCNC(=O)Cn3cc4c(n3)CC[C@H](C)C4)CC2)c1 ZINC000004918017 132294279 /nfs/dbraw/zinc/29/42/79/132294279.db2.gz KMCFWEITYMYGNM-IBGZPJMESA-N 0 1 423.605 2.953 10 0 HFAEMN C[C@@H](Cc1cccs1)C(=O)N1CCC[C@@H](c2[nH]ncc2C(=O)N2CCOCC2)C1 ZINC000328604271 569417297 /nfs/dbraw/zinc/41/72/97/569417297.db2.gz JECYIJIIHKJQSN-JKSUJKDBSA-N 0 1 416.547 2.528 10 0 HFAEMN COc1cc(OC)c(NS(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)cc1Cl ZINC000008588732 571084881 /nfs/dbraw/zinc/08/48/81/571084881.db2.gz UXOORGKSIISABG-UHFFFAOYSA-N 0 1 412.851 2.797 10 0 HFAEMN CCS(=O)(=O)Nc1cc(C(=O)[O-])ccc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000032961994 521684166 /nfs/dbraw/zinc/68/41/66/521684166.db2.gz LNKVNIURUJDGMK-UHFFFAOYSA-N 0 1 421.494 2.608 10 0 HFAEMN Cc1ccccc1OC[C@@H](O)CN(CCN1CCOCC1)Cc1ccc(F)cc1 ZINC000036102463 569092044 /nfs/dbraw/zinc/09/20/44/569092044.db2.gz STCXGRPNHAQRRA-QFIPXVFZSA-N 0 1 402.510 2.708 10 0 HFAEMN CN1[C@@H]2CCN(Cc3ccc(F)cc3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)Nc1ccccc1 ZINC000035442471 291220795 /nfs/dbraw/zinc/22/07/95/291220795.db2.gz DJUONMKIOLPANT-XJUOHMSHSA-N 0 1 424.520 2.618 10 0 biogenic HFAEMN CC(C)[C@@H](O)CN1CCN(Cc2nc(C(=O)Nc3ccc(Cl)cc3)co2)CC1 ZINC000034677525 557365229 /nfs/dbraw/zinc/36/52/29/557365229.db2.gz BUCLLRZLIZUZRR-SFHVURJKSA-N 0 1 406.914 2.715 10 0 HFAEMN CCOCCCN1C(=O)CC[C@@H]2CN(Cc3cc4c(c(OC)c3)OCO4)CC[C@@H]21 ZINC000012100411 558326165 /nfs/dbraw/zinc/32/61/65/558326165.db2.gz QXLSINWKRJNEDN-MSOLQXFVSA-N 0 1 404.507 2.663 10 0 HFAEMN COc1c(N2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21 ZINC000077303100 558886067 /nfs/dbraw/zinc/88/60/67/558886067.db2.gz RBOQKHOVSOJSBL-YVEFUNNKSA-N 0 1 415.465 2.713 10 0 in-vitro HFAEMN COc1c(N2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21 ZINC000077303100 558886068 /nfs/dbraw/zinc/88/60/68/558886068.db2.gz RBOQKHOVSOJSBL-YVEFUNNKSA-N 0 1 415.465 2.713 10 0 in-vitro HFAEMN COCCN(C)c1cnn([C@@H]2CCCN(Cc3cccc(OC(C)C)c3)C2)c(=O)c1 ZINC000583615223 560776024 /nfs/dbraw/zinc/77/60/24/560776024.db2.gz XWVLLZMKIRRXKV-HXUWFJFHSA-N 0 1 414.550 2.950 10 0 HFAEMN CC(C)COC[C@H](O)CN1CCN(c2ccc(NC(=O)c3cccs3)cn2)CC1 ZINC000096280565 568717925 /nfs/dbraw/zinc/71/79/25/568717925.db2.gz ARGYFAJXUPSZHD-GOSISDBHSA-N 0 1 418.563 2.551 10 0 HFAEMN CC(C)Oc1ccccc1CN1CCC[C@H](n2ncc(N3CCOCC3)cc2=O)C1 ZINC000328604098 569417196 /nfs/dbraw/zinc/41/71/96/569417196.db2.gz INLMYPBJHZGCII-FQEVSTJZSA-N 0 1 412.534 2.704 10 0 HFAEMN CC(=O)Nc1cnc(N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)c(C(=O)[O-])c1 ZINC000035511061 569043040 /nfs/dbraw/zinc/04/30/40/569043040.db2.gz BTWJHRSILJZVDT-UHFFFAOYSA-N 0 1 418.881 2.593 10 0 HFAEMN O=C1N(c2ccccc2)C[C@@H]2C[C@@H](c3cnc(N4CCOCC4)s3)N3CCC[C@@]123 ZINC000011878653 558292972 /nfs/dbraw/zinc/29/29/72/558292972.db2.gz RUOHZGCEVSZTQU-ZJBJCVSYSA-N 0 1 410.543 2.922 10 0 HFAEMN CC(C)(C)c1ccc2c(c1)N(CC(=O)NCCN1CCc3ccccc3C1)C(=O)CO2 ZINC000020684930 568640351 /nfs/dbraw/zinc/64/03/51/568640351.db2.gz FZIVJYBKFZPTEA-UHFFFAOYSA-N 0 1 421.541 2.884 10 0 HFAEMN CCCc1c(C(=O)N2CCC[C@@H](c3[nH]ncc3C(N)=O)C2)[nH]c(C)c1C(=O)OC ZINC000328602363 569416458 /nfs/dbraw/zinc/41/64/58/569416458.db2.gz BJTVKMRAWVFJLU-GFCCVEGCSA-N 0 1 401.467 2.688 10 0 HFAEMN O=c1cc(N2CCC(O)CC2)cnn1[C@H]1CCCN(Cc2cncc3ccccc32)C1 ZINC000328606766 569418626 /nfs/dbraw/zinc/41/86/26/569418626.db2.gz SXZMPJHAUMPGRY-FQEVSTJZSA-N 0 1 419.529 2.590 10 0 HFAEMN O=C([C@H]1CCCO1)N1CCC2(CC1)Nc1cccnc1N=C2NCc1ccccc1 ZINC000065265661 558737502 /nfs/dbraw/zinc/73/75/02/558737502.db2.gz SEWTXARVCIPHAZ-LJQANCHMSA-N 0 1 405.502 2.867 10 0 HFAEMN Cc1nn(-c2ncc(C(F)(F)F)cc2Cl)c(C)c1CC(=O)N1CCNCC1 ZINC000045951855 527572263 /nfs/dbraw/zinc/57/22/63/527572263.db2.gz WGKGCXQGWFHDHX-UHFFFAOYSA-N 0 1 401.820 2.531 10 0 HFAEMN CC(C)[C@@H](O)CN1CCN(Cc2nc(C(=O)Nc3ccc4c(c3)CCC4)co2)CC1 ZINC000034677231 557364677 /nfs/dbraw/zinc/36/46/77/557364677.db2.gz JXBKALRQOXNSAI-NRFANRHFSA-N 0 1 412.534 2.550 10 0 HFAEMN COc1ccccc1NC(=O)C1CCN(C(=O)c2cc(-c3ccncc3)[nH]n2)CC1 ZINC000096324623 568676149 /nfs/dbraw/zinc/67/61/49/568676149.db2.gz AWQKUPRWTPJGPN-UHFFFAOYSA-N 0 1 405.458 2.971 10 0 HFAEMN O=c1cc(N2CCC(O)CC2)cnn1[C@H]1CCCN(Cc2ccc3ccccc3n2)C1 ZINC000328605451 569418162 /nfs/dbraw/zinc/41/81/62/569418162.db2.gz NSUDEHCXOFNJKX-FQEVSTJZSA-N 0 1 419.529 2.590 10 0 HFAEMN CC(C)[C@H](O)CN1CCN(Cc2nc(C(=O)Nc3ccc(Cl)cc3)co2)CC1 ZINC000034677524 557365324 /nfs/dbraw/zinc/36/53/24/557365324.db2.gz BUCLLRZLIZUZRR-GOSISDBHSA-N 0 1 406.914 2.715 10 0 HFAEMN CCN1CCN(c2ncc(C(=O)Nc3cc(Cl)c(OC)cc3OC)c(C)n2)CC1 ZINC000015778102 558752585 /nfs/dbraw/zinc/75/25/85/558752585.db2.gz YGWWRWIWYOPJNK-UHFFFAOYSA-N 0 1 419.913 2.850 10 0 HFAEMN O=c1c2[nH]c3ccc(F)cc3c2ncn1CCN1CCN(Cc2ccccc2)CC1 ZINC000020438340 558762331 /nfs/dbraw/zinc/76/23/31/558762331.db2.gz UPEDMFCEEDKPJR-UHFFFAOYSA-N 0 1 405.477 2.835 10 0 HFAEMN O=c1cc(N2CCC(O)CC2)cnn1[C@@H]1CCCN(Cc2ccc3ccccc3n2)C1 ZINC000328605452 569418106 /nfs/dbraw/zinc/41/81/06/569418106.db2.gz NSUDEHCXOFNJKX-HXUWFJFHSA-N 0 1 419.529 2.590 10 0 HFAEMN O=c1cc(N2CCC(O)CC2)cnn1[C@@H]1CCCN(Cc2cncc3ccccc32)C1 ZINC000328606767 569418518 /nfs/dbraw/zinc/41/85/18/569418518.db2.gz SXZMPJHAUMPGRY-HXUWFJFHSA-N 0 1 419.529 2.590 10 0 HFAEMN CN1CC[NH+](CC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])CC1 ZINC000231639373 571316253 /nfs/dbraw/zinc/31/62/53/571316253.db2.gz XZWQYBZJYCGHHF-QFIPXVFZSA-N 0 1 423.513 2.616 10 0 HFAEMN CCCN1CCN(C(=O)c2nn(-c3ccc(OCC)cc3)c(=O)c3ccccc32)CC1 ZINC000058139635 568890740 /nfs/dbraw/zinc/89/07/40/568890740.db2.gz IQWJXUNDTFHFFY-UHFFFAOYSA-N 0 1 420.513 2.952 10 0 HFAEMN Cc1cccc(CN(CC(=O)N2CCNCC2)C(=O)c2ccc(F)c(Cl)c2)c1 ZINC000033032798 571308938 /nfs/dbraw/zinc/30/89/38/571308938.db2.gz CUDPLWTXFHRBSR-UHFFFAOYSA-N 0 1 403.885 2.862 10 0 HFAEMN CC[C@H]1Oc2ccc(C)cc2N(CC(=O)NCCN2CCc3ccccc3C2)C1=O ZINC000002943342 132260377 /nfs/dbraw/zinc/26/03/77/132260377.db2.gz LWCGNRULTVVJPM-OAQYLSRUSA-N 0 1 407.514 2.674 10 0 HFAEMN CCCN1CCN(C(=O)C2CCN(C(=O)c3cc4sccc4n3C)CC2)CC1 ZINC000020383094 568602941 /nfs/dbraw/zinc/60/29/41/568602941.db2.gz LJSNCSXDVIOKCF-UHFFFAOYSA-N 0 1 402.564 2.646 10 0 HFAEMN CC1(C)c2cc(S(=O)(=O)N3CCC[C@H](c4[nH]ncc4C(N)=O)C3)ccc2NC1=O ZINC000328605041 569417856 /nfs/dbraw/zinc/41/78/56/569417856.db2.gz MBHQQBRRKYKSIR-NSHDSACASA-N 0 1 417.491 2.741 10 0 HFAEMN CC(C)(C)OC(=O)c1ccccc1NC(=O)N1CCC[C@H](c2[nH]ncc2C(N)=O)C1 ZINC000583622213 560777489 /nfs/dbraw/zinc/77/74/89/560777489.db2.gz ZRGAASLHSHCARG-ZDUSSCGKSA-N 0 1 413.478 2.875 10 0 HFAEMN C[C@H](Cc1cccs1)C(=O)N1CCC[C@H](c2[nH]ncc2C(=O)N2CCOCC2)C1 ZINC000328604268 569417370 /nfs/dbraw/zinc/41/73/70/569417370.db2.gz JECYIJIIHKJQSN-CVEARBPZSA-N 0 1 416.547 2.528 10 0 HFAEMN CN1CC[NH+](CC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])CC1 ZINC000231639370 571316183 /nfs/dbraw/zinc/31/61/83/571316183.db2.gz XZWQYBZJYCGHHF-JOCHJYFZSA-N 0 1 423.513 2.616 10 0 HFAEMN CC(C)(C)OC(=O)c1ccccc1NC(=O)N1CCC[C@@H](c2[nH]ncc2C(N)=O)C1 ZINC000583622212 560777482 /nfs/dbraw/zinc/77/74/82/560777482.db2.gz ZRGAASLHSHCARG-CYBMUJFWSA-N 0 1 413.478 2.875 10 0 HFAEMN CCOC(CN(CCc1ccccc1)C(=O)[C@@H](N)CC(=O)OC(C)(C)C)OCC ZINC000261507540 568820815 /nfs/dbraw/zinc/82/08/15/568820815.db2.gz JREXEEVIWHXCAG-SFHVURJKSA-N 0 1 408.539 2.516 10 0 HFAEMN O=C([O-])C[C@H]([NH2+]Cc1ccccc1)C(=O)c1ccn(S(=O)(=O)c2ccccc2)c1 ZINC000048546648 569358705 /nfs/dbraw/zinc/35/87/05/569358705.db2.gz VVPHURPRHYRQAJ-IBGZPJMESA-N 0 1 412.467 2.541 10 0 HFAEMN CC(C)Oc1ccccc1CN1CCC[C@@H](n2ncc(N3CCOCC3)cc2=O)C1 ZINC000328604100 569417211 /nfs/dbraw/zinc/41/72/11/569417211.db2.gz INLMYPBJHZGCII-HXUWFJFHSA-N 0 1 412.534 2.704 10 0 HFAEMN Cc1ccc(C)c(N2CCN(CCCNC(=O)Cn3cc4c(n3)CC[C@@H](C)C4)CC2)c1 ZINC000004918029 132294191 /nfs/dbraw/zinc/29/41/91/132294191.db2.gz KMCFWEITYMYGNM-LJQANCHMSA-N 0 1 423.605 2.953 10 0 HFAEMN COc1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2cc(-c3cccnc3)[nH]n2)C1 ZINC000096324803 568676248 /nfs/dbraw/zinc/67/62/48/568676248.db2.gz HHILSHMLWWRFJQ-INIZCTEOSA-N 0 1 405.458 2.971 10 0 HFAEMN CC(C)COC[C@@H](O)CN1CCN(c2ccc(NC(=O)c3cccs3)cn2)CC1 ZINC000096280566 568717935 /nfs/dbraw/zinc/71/79/35/568717935.db2.gz ARGYFAJXUPSZHD-SFHVURJKSA-N 0 1 418.563 2.551 10 0 HFAEMN CC1(C)c2cc(S(=O)(=O)N3CCC[C@@H](c4[nH]ncc4C(N)=O)C3)ccc2NC1=O ZINC000328605040 569417854 /nfs/dbraw/zinc/41/78/54/569417854.db2.gz MBHQQBRRKYKSIR-LLVKDONJSA-N 0 1 417.491 2.741 10 0 HFAEMN O=C(NCCCN1CCN(Cc2ccccc2)CC1)c1nnc(-c2ccccc2)o1 ZINC000020851906 571314813 /nfs/dbraw/zinc/31/48/13/571314813.db2.gz VOHNQKMVCZRXNX-UHFFFAOYSA-N 0 1 405.502 2.674 10 0 HFAEMN