smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](CN(C)CCc1ccccn1)[S@@](=O)Cc1ccccc1 ZINC000090502296 185299396 /nfs/dbraw/zinc/29/93/96/185299396.db2.gz POKVZSLDSLXKAA-OPAMFIHVSA-N 0 1 316.470 2.893 10 0 DFAEMN CNc1sc(NS(=O)(=O)c2ccccc2)nc1Cl ZINC000090505759 185299439 /nfs/dbraw/zinc/29/94/39/185299439.db2.gz PRHFFLXGRLHRGO-UHFFFAOYSA-N 0 1 303.796 2.639 10 0 DFAEMN CC(C)=CCCNc1nc[nH]c(=O)c1I ZINC000306578499 398508533 /nfs/dbraw/zinc/50/85/33/398508533.db2.gz MEJTUQMRAWIZEO-UHFFFAOYSA-N 0 1 319.146 2.555 10 0 DFAEMN CCC[C@H](C)c1nc(C)c(I)c(=O)[nH]1 ZINC000306610281 398508537 /nfs/dbraw/zinc/50/85/37/398508537.db2.gz FADYLQONXAQZOV-LURJTMIESA-N 0 1 306.147 2.999 10 0 DFAEMN C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CCN1 ZINC000188443788 200247346 /nfs/dbraw/zinc/24/73/46/200247346.db2.gz FPKSMKSQWTXMKW-YUSALJHKSA-N 0 1 313.228 2.917 10 0 DFAEMN N[C@H](C(=O)Nc1cc(Br)ccc1O)c1ccccc1 ZINC000094573614 193381656 /nfs/dbraw/zinc/38/16/56/193381656.db2.gz ZLKVDWUBPJTUDP-ZDUSSCGKSA-N 0 1 321.174 2.793 10 0 DFAEMN COc1cccc(NC(=O)[C@H](N)Cc2c[nH]c3ccccc23)c1 ZINC000040173947 183043581 /nfs/dbraw/zinc/04/35/81/183043581.db2.gz ADFXHIFEYCEVNB-MRXNPFEDSA-N 0 1 309.369 2.685 10 0 DFAEMN COCc1nc2ccc(Cl)cc2n1CCCN1CCOCC1 ZINC000040406160 183062119 /nfs/dbraw/zinc/06/21/19/183062119.db2.gz VQMYSJMTEKIRQW-UHFFFAOYSA-N 0 1 323.824 2.558 10 0 DFAEMN C[NH+](C)Cc1nc2ccccc2n1Cc1cccc(C(=O)[O-])c1 ZINC000041579980 183206228 /nfs/dbraw/zinc/20/62/28/183206228.db2.gz PXMUPVOSUBBEQU-UHFFFAOYSA-N 0 1 309.369 2.844 10 0 DFAEMN Cc1noc(CCNCc2nc(-c3ccccc3)cs2)n1 ZINC000105469389 194106051 /nfs/dbraw/zinc/10/60/51/194106051.db2.gz QVQNUSJQYNRWJS-UHFFFAOYSA-N 0 1 300.387 2.834 10 0 DFAEMN COC(=O)c1cnc(-c2ccc(F)cc2)nc1[C@@H]1CCCCN1 ZINC000616579046 399486656 /nfs/dbraw/zinc/48/66/56/399486656.db2.gz OTSIJXCJXQMXBL-AWEZNQCLSA-N 0 1 315.348 2.884 10 0 DFAEMN CC(C)(C)OC(=O)NCCN1CCC[C@@H](c2ccon2)CC1 ZINC000616601468 399488475 /nfs/dbraw/zinc/48/84/75/399488475.db2.gz PPLFDKURLRNEFQ-CYBMUJFWSA-N 0 1 309.410 2.769 10 0 DFAEMN CC(C)(C)OC(=O)N1c2ccccc2NC[C@H]1c1c[nH]nn1 ZINC000616682120 399498534 /nfs/dbraw/zinc/49/85/34/399498534.db2.gz AWWJLHSAIMLQAO-ZDUSSCGKSA-N 0 1 301.350 2.713 10 0 DFAEMN CC(C)(C)CC(=O)N1CCC[C@@H]1c1nc(C2(N)CCC2)no1 ZINC000262009308 146321464 /nfs/dbraw/zinc/32/14/64/146321464.db2.gz UXAMDZMYMMDLFP-LLVKDONJSA-N 0 1 306.410 2.507 10 0 DFAEMN CCc1ccc([C@H]2CNCCN2C(=O)c2c[nH]c(C3CC3)n2)cc1 ZINC000262287572 146348073 /nfs/dbraw/zinc/34/80/73/146348073.db2.gz VOTFFMSIDGSQSY-QGZVFWFLSA-N 0 1 324.428 2.636 10 0 DFAEMN COc1ccc([C@@H](C)[N@@H+](C)CCC(=O)[O-])c(Br)c1 ZINC000263422955 286354101 /nfs/dbraw/zinc/35/41/01/286354101.db2.gz PMMZQAJXUZXMMN-SECBINFHSA-N 0 1 316.195 2.925 10 0 DFAEMN C[C@@H]1CCCN(Cc2cc(=O)n3c4c(sc3n2)CCCC4)C1 ZINC000008427786 425668548 /nfs/dbraw/zinc/66/85/48/425668548.db2.gz WVYKJDJQHVTBTE-GFCCVEGCSA-N 0 1 317.458 2.867 10 0 DFAEMN C[NH+]1CCC2(C[N@@H+](Cc3ccccc3Cl)C[C@@H]2C(=O)[O-])CC1 ZINC000008698690 425672657 /nfs/dbraw/zinc/67/26/57/425672657.db2.gz OIONAQTZLAFBHJ-CQSZACIVSA-N 0 1 322.836 2.568 10 0 DFAEMN COc1cccc(-c2n[nH]c3c2CN(C2CCOCC2)CC3)c1 ZINC000011935382 425715567 /nfs/dbraw/zinc/71/55/67/425715567.db2.gz YXNPTSRILOUARO-UHFFFAOYSA-N 0 1 313.401 2.622 10 0 DFAEMN CCCCS(=O)(=O)Nc1ccn(Cc2ccc(F)cc2)n1 ZINC000014225603 425769392 /nfs/dbraw/zinc/76/93/92/425769392.db2.gz PUWMRKALNGSXRQ-UHFFFAOYSA-N 0 1 311.382 2.612 10 0 DFAEMN N[C@@H]1[C@H](C(=O)OCc2ccccc2)CCCN1Cc1ccccc1 ZINC000071186580 425983259 /nfs/dbraw/zinc/98/32/59/425983259.db2.gz OPXIAGGWAGECPA-MOPGFXCFSA-N 0 1 324.424 2.927 10 0 DFAEMN CON(C)C(=O)c1[nH]nc2ccc(OCc3ccccc3)cc21 ZINC000148086588 426259798 /nfs/dbraw/zinc/25/97/98/426259798.db2.gz IZSRMHIDALJEPM-UHFFFAOYSA-N 0 1 311.341 2.775 10 0 DFAEMN O=C([O-])C[N@@H+]1Cc2ccccc2O[C@@H](c2ccccc2F)C1 ZINC000299777831 280070719 /nfs/dbraw/zinc/07/07/19/280070719.db2.gz FOXBDIFASPJKFO-MRXNPFEDSA-N 0 1 301.317 2.846 10 0 DFAEMN COc1ccc2c(c1O)-c1cccc3c1[C@H](C2)N(CCO)CC3 ZINC000584640039 337379995 /nfs/dbraw/zinc/37/99/95/337379995.db2.gz GRWCJFDFWVUZSO-HNNXBMFYSA-N 0 1 311.381 2.515 10 0 DFAEMN CCc1c(-c2nc(C3(N)CCC3)no2)cnn1-c1ccccc1 ZINC000261951882 536014428 /nfs/dbraw/zinc/01/44/28/536014428.db2.gz OAYKFCZNQOPLJG-UHFFFAOYSA-N 0 1 309.373 2.823 10 0 DFAEMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1ccoc1C(=O)[O-] ZINC000382605977 600335782 /nfs/dbraw/zinc/33/57/82/600335782.db2.gz XCDOMVUUXPSSAL-CQSZACIVSA-N 0 1 314.385 2.684 10 0 DFAEMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1occc1C(=O)[O-] ZINC000382578507 600336209 /nfs/dbraw/zinc/33/62/09/600336209.db2.gz CXUSLYTTXQRRKO-CQSZACIVSA-N 0 1 314.385 2.684 10 0 DFAEMN C[C@H](c1nc(CC(=O)N2CCCCC2)no1)N1[C@H](C)CC[C@@H]1C ZINC000328616178 231247363 /nfs/dbraw/zinc/24/73/63/231247363.db2.gz SFEMDUIXMJQVAQ-HZSPNIEDSA-N 0 1 320.437 2.558 10 0 DFAEMN Cc1nc([C@H]2CCCCN2C(=O)c2ccnc(C3CC3)c2)n[nH]1 ZINC000328740372 231326342 /nfs/dbraw/zinc/32/63/42/231326342.db2.gz NAAFRHHFLFOUDN-OAHLLOKOSA-N 0 1 311.389 2.753 10 0 DFAEMN Ic1cnc([C@@H]2NCC23CCC3)s1 ZINC000306302312 398507804 /nfs/dbraw/zinc/50/78/04/398507804.db2.gz ZKISSBKQYNFINL-ZETCQYMHSA-N 0 1 306.172 2.562 10 0 DFAEMN Nc1nc(-c2cccc3ccccc32)c(Br)c(=O)[nH]1 ZINC000003653753 181043985 /nfs/dbraw/zinc/04/39/85/181043985.db2.gz HOUWQEYUQCSILM-UHFFFAOYSA-N 0 1 316.158 2.935 10 0 DFAEMN CC(C)(C)c1ccc(CSc2nc(N)c(N)c(=O)[nH]2)cc1 ZINC000073240366 191295975 /nfs/dbraw/zinc/29/59/75/191295975.db2.gz ZINFNRGJJJVLQZ-UHFFFAOYSA-N 0 1 304.419 2.524 10 0 DFAEMN C[C@@H]1CC(=O)NN=C1c1ccc2nc(-c3ccc(O)cc3)[nH]c2c1 ZINC000005115889 181205176 /nfs/dbraw/zinc/20/51/76/181205176.db2.gz QOAXSEARPHDXFC-SNVBAGLBSA-N 0 1 320.352 2.796 10 0 DFAEMN C[C@H](Sc1nc2ccccc2s1)C(=O)N1CCN[C@H](C)C1 ZINC000189013268 200335494 /nfs/dbraw/zinc/33/54/94/200335494.db2.gz YWWVOHMUZAEXMU-MNOVXSKESA-N 0 1 321.471 2.597 10 0 DFAEMN COc1ccc(CCc2cc(O)c3c(=O)ccc(O)c-3o2)cc1 ZINC000006018238 181306251 /nfs/dbraw/zinc/30/62/51/181306251.db2.gz PCLFEHAPITXKJL-UHFFFAOYSA-N 0 1 312.321 2.998 10 0 biogenic,in-vitro DFAEMN C[C@@H](N[C@H]1CCSc2c(F)cccc21)C(=O)N1CCCC1 ZINC000157886546 296165037 /nfs/dbraw/zinc/16/50/37/296165037.db2.gz IACKIUFWVTWWAH-RISCZKNCSA-N 0 1 308.422 2.963 10 0 DFAEMN Cc1nc(S(=O)(=O)Cc2ccncc2)[nH]c1-c1ccccc1 ZINC000191081984 399168829 /nfs/dbraw/zinc/16/88/29/399168829.db2.gz DPAXARLKFPXJRQ-UHFFFAOYSA-N 0 1 313.382 2.754 10 0 DFAEMN CS(=O)(=O)Nc1cc2c(cc1OC1CCCCC1)C(=O)CC2 ZINC000013744785 181889197 /nfs/dbraw/zinc/88/91/97/181889197.db2.gz WMOXGDVEJALKKH-UHFFFAOYSA-N 0 1 323.414 2.899 10 0 DFAEMN C[C@@H](Sc1ccc(C(C)(C)C)cc1)C(=O)N1CCNCC1 ZINC000019686692 182136656 /nfs/dbraw/zinc/13/66/56/182136656.db2.gz GEIRVRRGKZOQKQ-CYBMUJFWSA-N 0 1 306.475 2.897 10 0 DFAEMN c1ccc2c(c1)Oc1ccccc1C2NCCN1CCOCC1 ZINC000028229874 182513816 /nfs/dbraw/zinc/51/38/16/182513816.db2.gz HSZWIQGHBFUSRI-UHFFFAOYSA-N 0 1 310.397 2.804 10 0 DFAEMN COc1ccc(C)cc1NC(=O)[C@H](N)Cc1c[nH]c2ccccc12 ZINC000040173923 183043627 /nfs/dbraw/zinc/04/36/27/183043627.db2.gz XWNDOIZDIKDBGO-OAHLLOKOSA-N 0 1 323.396 2.993 10 0 DFAEMN O=C([O-])C[C@@H]1CCC[N@H+]1Cc1sccc1Br ZINC000043680902 183380088 /nfs/dbraw/zinc/38/00/88/183380088.db2.gz BJXSSIBVAVAMIK-QMMMGPOBSA-N 0 1 304.209 2.950 10 0 DFAEMN [O-]c1ccc(C[NH2+]C[C@H]2CCCOC2)cc1Br ZINC000058062744 184072963 /nfs/dbraw/zinc/07/29/63/184072963.db2.gz KOVVBZYYFLZCAZ-LLVKDONJSA-N 0 1 300.196 2.671 10 0 DFAEMN CC[N@H+](Cc1ccccc1Br)C[C@H](C)C(=O)[O-] ZINC000061220631 184166135 /nfs/dbraw/zinc/16/61/35/184166135.db2.gz PACBYRAMZWDMPK-JTQLQIEISA-N 0 1 300.196 2.992 10 0 DFAEMN Cc1ccc(C)c(NS(=O)(=O)c2cn(C)c3ncccc23)c1 ZINC000065242128 184317855 /nfs/dbraw/zinc/31/78/55/184317855.db2.gz KJBXCBZEALVELC-UHFFFAOYSA-N 0 1 315.398 2.991 10 0 DFAEMN CC(C)(C)OC(=O)NCCN1CCCC[C@H](c2ccncn2)C1 ZINC000616603652 399488261 /nfs/dbraw/zinc/48/82/61/399488261.db2.gz SYUFNOZAVFVWAZ-AWEZNQCLSA-N 0 1 320.437 2.571 10 0 DFAEMN Cc1csc(N2CCC(c3nc(C4(N)CCC4)no3)CC2)n1 ZINC000261627613 146249755 /nfs/dbraw/zinc/24/97/55/146249755.db2.gz CGHJKAFFXABVBV-UHFFFAOYSA-N 0 1 319.434 2.556 10 0 DFAEMN O=C([O-])[C@@H]1Cc2ccc(Cl)cc2C[N@@H+]1Cc1cccnc1 ZINC000008699752 425672219 /nfs/dbraw/zinc/67/22/19/425672219.db2.gz UYZFQOSNUUZIGF-HNNXBMFYSA-N 0 1 302.761 2.747 10 0 DFAEMN O=C([O-])[C@@H]1Cc2ccc(Cl)cc2C[N@H+]1Cc1cccnc1 ZINC000008699752 425672224 /nfs/dbraw/zinc/67/22/24/425672224.db2.gz UYZFQOSNUUZIGF-HNNXBMFYSA-N 0 1 302.761 2.747 10 0 DFAEMN CS(=O)(=O)Nc1cc2c(cc1OC1CCCC1)C(=O)CC2 ZINC000013744820 425759805 /nfs/dbraw/zinc/75/98/05/425759805.db2.gz RDJXLQRLYQNOSE-UHFFFAOYSA-N 0 1 309.387 2.508 10 0 DFAEMN NCc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2 ZINC000027324454 425815987 /nfs/dbraw/zinc/81/59/87/425815987.db2.gz IITNCTOGXYNNRY-UHFFFAOYSA-N 0 1 323.787 2.730 10 0 world DFAEMN CC(C)(C)OC(=O)N1CCC[C@](O)(c2nccc3[nH]ccc32)C1 ZINC000089220773 426283458 /nfs/dbraw/zinc/28/34/58/426283458.db2.gz KJTXKAUUKKKVDA-QGZVFWFLSA-N 0 1 317.389 2.781 10 0 DFAEMN NC1(c2noc([C@H]3COCCN3C3CCCC3)n2)CCCCC1 ZINC000333577715 271380075 /nfs/dbraw/zinc/38/00/75/271380075.db2.gz NKJATIRIBJWVDM-CQSZACIVSA-N 0 1 320.437 2.504 10 0 DFAEMN CC(C)Cn1cc(C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cn1 ZINC000263494075 279258047 /nfs/dbraw/zinc/25/80/47/279258047.db2.gz JEBMSHWNTUSYCA-XHSDSOJGSA-N 0 1 305.422 2.757 10 0 DFAEMN Cc1nc([C@@H]2CCCCN2C(=O)CO[C@H]2CCCC[C@@H]2C)n[nH]1 ZINC000328736469 293361356 /nfs/dbraw/zinc/36/13/56/293361356.db2.gz LECXLGDCEZCXDF-QEJZJMRPSA-N 0 1 320.437 2.762 10 0 DFAEMN O=C1CS[C@@H](c2ccc(F)cc2)N1c1n[nH]c2ncccc21 ZINC000584653304 337381241 /nfs/dbraw/zinc/38/12/41/337381241.db2.gz XYPPRULCNHFHDD-HNNXBMFYSA-N 0 1 314.345 2.876 10 0 DFAEMN Cc1noc(C)c1CCN1CCC(c2noc(C3CC3)n2)CC1 ZINC000329605595 534342439 /nfs/dbraw/zinc/34/24/39/534342439.db2.gz HNVHQZCXNONCCA-UHFFFAOYSA-N 0 1 316.405 2.974 10 0 DFAEMN CO[C@@H](CNC(=O)[C@@H](N)c1ccc(C)cc1)c1ccc(F)cc1 ZINC000262638276 536496411 /nfs/dbraw/zinc/49/64/11/536496411.db2.gz IHPCCCYDCQRJIM-IRXDYDNUSA-N 0 1 316.376 2.638 10 0 DFAEMN COc1cc2c(cc1O)occ(-c1ccc3c(c1)OCO3)c2=O ZINC000002563668 560187953 /nfs/dbraw/zinc/18/79/53/560187953.db2.gz QMDVDQRHFDCVKB-UHFFFAOYSA-N 0 1 312.277 2.903 10 0 biogenic,in-vitro DFAEMN CC(C)[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(=O)[O-] ZINC000390109469 598197319 /nfs/dbraw/zinc/19/73/19/598197319.db2.gz BTOBADLMSCNGCH-HQSKLWIPSA-N 0 1 316.445 2.881 10 0 DFAEMN Cc1ccc(NC(=O)C[N@H+](CCC(=O)[O-])C(C)C)c(Cl)c1 ZINC000037596185 600394670 /nfs/dbraw/zinc/39/46/70/600394670.db2.gz UHCOFSOGGSJDIB-UHFFFAOYSA-N 0 1 312.797 2.772 10 0 DFAEMN O=C([O-])C[N@H+](CC(=O)Nc1ccccc1Cl)C1CCCC1 ZINC000037596898 602332773 /nfs/dbraw/zinc/33/27/73/602332773.db2.gz UMMXCKWIDRALMC-UHFFFAOYSA-N 0 1 310.781 2.608 10 0 DFAEMN O=C([O-])C[N@@H+](CC(=O)Nc1ccccc1Cl)C1CCCC1 ZINC000037596898 602332776 /nfs/dbraw/zinc/33/27/76/602332776.db2.gz UMMXCKWIDRALMC-UHFFFAOYSA-N 0 1 310.781 2.608 10 0 DFAEMN CC1=[N+]([O-])[C@@](C)(c2ccc(F)cc2)[N+]([O-])=C1c1ccccc1 ZINC000225402259 398348211 /nfs/dbraw/zinc/34/82/11/398348211.db2.gz WYXRWPWQCLHLOX-QGZVFWFLSA-N 0 1 300.333 2.766 10 0 DFAEMN Cc1cc([C@H]2CCCN(C(=O)C[C@@H]3CCCCC(=O)N3)C2)n[nH]1 ZINC000328780167 231342086 /nfs/dbraw/zinc/34/20/86/231342086.db2.gz JCJMVIACYFJIBY-KBPBESRZSA-N 0 1 318.421 2.713 10 0 DFAEMN O=c1nc2nc[nH]c2c(SCc2cc(Cl)ccc2F)[nH]1 ZINC000090485695 185298605 /nfs/dbraw/zinc/29/86/05/185298605.db2.gz RAKAQSGPOFSPJB-UHFFFAOYSA-N 0 1 310.741 2.683 10 0 DFAEMN O=C(c1ccc(N2CCCc3ccccc32)cc1)N1CCNCC1 ZINC000181354379 199284197 /nfs/dbraw/zinc/28/41/97/199284197.db2.gz CSXRUXWSMJGACB-UHFFFAOYSA-N 0 1 321.424 2.816 10 0 DFAEMN N[C@H](c1ccsn1)c1ccc(I)cc1 ZINC000307340217 398510908 /nfs/dbraw/zinc/51/09/08/398510908.db2.gz XPBLQWGARIXUPC-JTQLQIEISA-N 0 1 316.167 2.796 10 0 DFAEMN CC[C@]1(C)CN[C@H]1c1ncc(I)s1 ZINC000307466450 398511667 /nfs/dbraw/zinc/51/16/67/398511667.db2.gz JSBWJTKGVKAUNY-IONNQARKSA-N 0 1 308.188 2.808 10 0 DFAEMN CC[C@@]1(C)CN[C@H]1c1ncc(I)s1 ZINC000307466449 398511689 /nfs/dbraw/zinc/51/16/89/398511689.db2.gz JSBWJTKGVKAUNY-CBAPKCEASA-N 0 1 308.188 2.808 10 0 DFAEMN C[C@H]1CN(C(=O)c2ccccc2COc2ccccc2)CCN1 ZINC000237525646 202272065 /nfs/dbraw/zinc/27/20/65/202272065.db2.gz GIINXNRLWCUDHF-HNNXBMFYSA-N 0 1 310.397 2.700 10 0 DFAEMN NCc1nc(-c2nc(Cc3ccccc3Cl)no2)cs1 ZINC000090933537 192954030 /nfs/dbraw/zinc/95/40/30/192954030.db2.gz RIANXVXZHIDKSG-UHFFFAOYSA-N 0 1 306.778 2.896 10 0 DFAEMN COc1ccccc1NC(=O)[C@H](N)Cc1c[nH]c2ccccc12 ZINC000040173977 183043207 /nfs/dbraw/zinc/04/32/07/183043207.db2.gz CCUBWZHLDSUDCX-CQSZACIVSA-N 0 1 309.369 2.685 10 0 DFAEMN COCc1nc2cc(Cl)ccc2n1CCCN1CCOCC1 ZINC000040406163 183062197 /nfs/dbraw/zinc/06/21/97/183062197.db2.gz ZUJFHRLAGUUYLE-UHFFFAOYSA-N 0 1 323.824 2.558 10 0 DFAEMN CC(C)(C)OC(=O)NCCN1CCC[C@@H](c2cocn2)CC1 ZINC000616600209 399488272 /nfs/dbraw/zinc/48/82/72/399488272.db2.gz ADTQEOHSPHPVOW-CYBMUJFWSA-N 0 1 309.410 2.769 10 0 DFAEMN COc1ccc([C@@H](C)[N@@H+](C)CC(=O)[O-])c(Br)c1 ZINC000263395060 286354095 /nfs/dbraw/zinc/35/40/95/286354095.db2.gz GIEGCBNLZVFMRL-MRVPVSSYSA-N 0 1 302.168 2.535 10 0 DFAEMN C[C@H]1CC[C@@H](NC(=O)NC2CCN(Cc3ccccn3)CC2)C1 ZINC000333220123 268383775 /nfs/dbraw/zinc/38/37/75/268383775.db2.gz DNFPIMXZXPHOHK-GOEBONIOSA-N 0 1 316.449 2.534 10 0 DFAEMN N[C@@H]1[C@@H](C(=O)OCc2ccccc2)CCCN1Cc1ccccc1 ZINC000071186579 425983499 /nfs/dbraw/zinc/98/34/99/425983499.db2.gz OPXIAGGWAGECPA-OALUTQOASA-N 0 1 324.424 2.927 10 0 DFAEMN Cc1cnc(C2CC2)n1CCNC(=O)NCc1ccc(F)cc1 ZINC000575558109 430084947 /nfs/dbraw/zinc/08/49/47/430084947.db2.gz QYTIAVLXFNSLFF-UHFFFAOYSA-N 0 1 316.380 2.707 10 0 DFAEMN Cc1nc([C@@H]2CCCCN2C(=O)c2csc(C3CC3)n2)n[nH]1 ZINC000328700818 534554911 /nfs/dbraw/zinc/55/49/11/534554911.db2.gz WJPIDGUBXVURQI-LBPRGKRZSA-N 0 1 317.418 2.814 10 0 DFAEMN CCN1CC[NH+](Cc2c3ccccc3sc2C(=O)[O-])CC1 ZINC000037337294 599935690 /nfs/dbraw/zinc/93/56/90/599935690.db2.gz IFOKYHXYKXEKDQ-UHFFFAOYSA-N 0 1 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