smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(N2CCN(Cn3cnc4ccccc43)CC2)cc1 ZINC000021555065 425797447 /nfs/dbraw/zinc/79/74/47/425797447.db2.gz HXFNURLSMZOVPZ-UHFFFAOYSA-N 0 1 322.412 2.825 50 10 DFCAMN c1ncn(C[C@@H](NCc2ccc3c(c2)CCO3)c2ccccc2)n1 ZINC000077404398 275077376 /nfs/dbraw/zinc/07/73/76/275077376.db2.gz BOBDASSPVZVEIV-GOSISDBHSA-N 0 1 320.396 2.744 50 10 DFCAMN O=C1CCCN1C1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000071756913 191024807 /nfs/dbraw/zinc/02/48/07/191024807.db2.gz NPDMAYQNVNQDRC-UHFFFAOYSA-N 0 1 308.809 2.632 50 10 DFCAMN [O-]c1ccc(-c2ccccn2)cc1C[NH2+][C@H]1CN2CCC1CC2 ZINC000020601201 182236614 /nfs/dbraw/zinc/23/66/14/182236614.db2.gz WEQPVRQMEISUDR-SFHVURJKSA-N 0 1 309.413 2.638 50 10 DFCAMN CCCCCCN1C(=O)NC(=O)/C(=C\C=C\c2ccco2)C1=O ZINC000002292977 425590065 /nfs/dbraw/zinc/59/00/65/425590065.db2.gz FCUYGRITXHDZNB-RCAAVWGTSA-N 0 1 316.357 2.878 50 10 DFCAMN Cc1ccc(N2NC(=O)/C(=C/c3ccccc3F)C2=O)cc1C ZINC000005618130 181264324 /nfs/dbraw/zinc/26/43/24/181264324.db2.gz XYCAQKXAAMAGNK-GDNBJRDFSA-N 0 1 310.328 2.904 50 10 DFCAMN CCc1ccc(-n2c(C)cc(/C=C3/NC(=O)NC3=O)c2C)cc1 ZINC000016162096 182035824 /nfs/dbraw/zinc/03/58/24/182035824.db2.gz BMJVXMQVWCVIEM-MHWRWJLKSA-N 0 1 309.369 2.837 50 10 DFCAMN CC(C)Oc1ccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1 ZINC000058322982 184104905 /nfs/dbraw/zinc/10/49/05/184104905.db2.gz ITZMYZRGQCROGS-SFQUDFHCSA-N 0 1 322.364 2.935 50 10 DFCAMN O=C1NN(c2ccc(F)cc2)C(=O)/C1=C/c1c[nH]c2ccccc12 ZINC000000368290 425556037 /nfs/dbraw/zinc/55/60/37/425556037.db2.gz TYGVONUNTQLWLJ-OQLLNIDSSA-N 0 1 321.311 2.768 50 10 DFCAMN CN(C)c1ccc([C@@H]2NC(=N)Nc3nc4ccccc4n32)cc1 ZINC000001408193 425580273 /nfs/dbraw/zinc/58/02/73/425580273.db2.gz VSDUZOLYIPLEJP-OAHLLOKOSA-N 0 1 306.373 2.599 50 10 DFCAMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc[nH]1 ZINC000001835786 425587039 /nfs/dbraw/zinc/58/70/39/425587039.db2.gz LMLUPUINKJJSPU-XYOKQWHBSA-N 0 1 315.329 2.825 50 10 DFCAMN Cc1cc(/C=C2\NC(=O)NC2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000012466116 425727039 /nfs/dbraw/zinc/72/70/39/425727039.db2.gz ROOAJJXSHQWJKB-SXGWCWSVSA-N 0 1 309.369 2.891 50 10 DFCAMN Cc1ccccc1N1C(=O)C(=Cc2ccc[nH]2)C(=O)NC1=S ZINC000018046800 425787404 /nfs/dbraw/zinc/78/74/04/425787404.db2.gz OUNSYHXRBPRJPH-XFXZXTDPSA-N 0 1 311.366 2.995 50 10 DFCAMN O=S(=O)(Nc1ccc(O)cc1F)c1c(F)cccc1F ZINC000097058371 426444798 /nfs/dbraw/zinc/44/47/98/426444798.db2.gz MGYCYRJLOASGQG-UHFFFAOYSA-N 0 1 303.261 2.610 50 10 DFCAMN Cc1cccc(N2C(=O)C(=Cc3ccc[nH]3)C(=O)NC2=S)c1 ZINC000000045640 278921296 /nfs/dbraw/zinc/92/12/96/278921296.db2.gz BBWAMUBJFBUCLB-UKTHLTGXSA-N 0 1 311.366 2.995 50 10 DFCAMN S=C(NCc1ccco1)SCc1cn2cccnc2n1 ZINC000004136846 181078243 /nfs/dbraw/zinc/07/82/43/181078243.db2.gz NHGRKYZXUIQFHP-UHFFFAOYSA-N 0 1 304.400 2.630 50 10 DFCAMN COC(=O)c1ccc(C=C2C(=O)NN(c3ccccc3)C2=O)cc1 ZINC000006640459 181363945 /nfs/dbraw/zinc/36/39/45/181363945.db2.gz XYMCIPBCXLLKOA-PTNGSMBKSA-N 0 1 322.320 2.775 50 10 DFCAMN O=C1NC(=O)N(Cc2ccccc2)C(=O)C1=Cc1ccccc1 ZINC000000175017 284855762 /nfs/dbraw/zinc/85/57/62/284855762.db2.gz MHDKAEAXOMQUET-RVDMUPIBSA-N 0 1 306.321 2.553 50 10 DFCAMN O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C/c1ccc(F)cc1 ZINC000008996037 296356857 /nfs/dbraw/zinc/35/68/57/296356857.db2.gz KZIIJZJXBXWFHI-GXDHUFHOSA-N 0 1 316.332 2.620 50 10 DFCAMN CC(C)(C)c1cc(CC2(NCc3ccccc3O)COC2)no1 ZINC000067897849 425914583 /nfs/dbraw/zinc/91/45/83/425914583.db2.gz RTSCAZLPJWVPFW-UHFFFAOYSA-N 0 1 316.401 2.779 50 10 biogenic,in-vitro DFCAMN O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1cccs1 ZINC000000296620 425551389 /nfs/dbraw/zinc/55/13/89/425551389.db2.gz BEBZEVAICMWHJN-XYOKQWHBSA-N 0 1 304.758 2.863 50 10 DFCAMN Cc1ccccc1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000049740619 425880516 /nfs/dbraw/zinc/88/05/16/425880516.db2.gz GBQIXFGFINFVJU-UHFFFAOYSA-N 0 1 323.440 2.677 50 10 DFCAMN [O-]c1ccc(Br)cc1C[NH2+]C[C@@H](O)c1ccccc1 ZINC000069533563 425945158 /nfs/dbraw/zinc/94/51/58/425945158.db2.gz GECBFNKNXHFILP-OAHLLOKOSA-N 0 1 322.202 2.978 50 10 DFCAMN O=C(CC[NH2+]Cc1c([O-])cccc1Cl)NCc1ccccc1 ZINC000097212498 426458828 /nfs/dbraw/zinc/45/88/28/426458828.db2.gz IYKIFKZDJWEBGO-UHFFFAOYSA-N 0 1 318.804 2.842 50 10 DFCAMN C[N@H+]1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1cc([N+](=O)[O-])ccc1[O-] ZINC000008553272 398373708 /nfs/dbraw/zinc/37/37/08/398373708.db2.gz GJFPLEFPQYVQJN-FVQBIDKESA-N 0 1 306.362 2.598 50 10 DFCAMN Cc1cc(/C=C2\NC(=O)NC2=O)c(C)n1-c1cc(C)ccc1C ZINC000015799776 182018400 /nfs/dbraw/zinc/01/84/00/182018400.db2.gz AUKFNJZDJKEIPM-DHDCSXOGSA-N 0 1 309.369 2.891 50 10 DFCAMN O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(O)cc1 ZINC000016667978 284912847 /nfs/dbraw/zinc/91/28/47/284912847.db2.gz LTLHZKDASZUSMJ-ZSOIEALJSA-N 0 1 314.728 2.507 50 10 DFCAMN Cc1cc(/C=C2\NC(=O)NC2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000013616217 425757812 /nfs/dbraw/zinc/75/78/12/425757812.db2.gz PHUACGTWUNHOKZ-SXGWCWSVSA-N 0 1 309.369 2.891 50 10 DFCAMN C[C@@H](C(=O)Nc1cccnc1Cl)N(C)Cc1ccccc1O ZINC000069698775 425953839 /nfs/dbraw/zinc/95/38/39/425953839.db2.gz QWTKNGGHCAPPMR-NSHDSACASA-N 0 1 319.792 2.900 50 10 DFCAMN Cc1n[nH]c(C)c1N=Cc1c(C)[nH]n(-c2ccc(F)cc2)c1=O ZINC000210999505 542869949 /nfs/dbraw/zinc/86/99/49/542869949.db2.gz CJNJMGNJLUUZBC-RIYZIHGNSA-N 0 1 313.336 2.884 50 10 DFCAMN CCc1ccccc1-n1c(C)cc(/C=C2/NC(=O)NC2=O)c1C ZINC000000382049 425556757 /nfs/dbraw/zinc/55/67/57/425556757.db2.gz FQEACYJUBIMXNM-XNTDXEJSSA-N 0 1 309.369 2.837 50 10 DFCAMN CN(CC(=O)NC(C)(C)C)Cc1c(O)ccc2ccccc21 ZINC000008147861 425661313 /nfs/dbraw/zinc/66/13/13/425661313.db2.gz FXFNLNOZODEMEI-UHFFFAOYSA-N 0 1 300.402 2.892 50 10 DFCAMN C[C@@H](C(=O)NCCc1ccccc1)N(C)Cc1ccccc1O ZINC000095397356 185353234 /nfs/dbraw/zinc/35/32/34/185353234.db2.gz ZWYGVMALYXWAGF-HNNXBMFYSA-N 0 1 312.413 2.571 50 10 DFCAMN COc1ccc2ccc(O)c(CN(C)CC(=O)NC(C)C)c2c1 ZINC000008184368 425663391 /nfs/dbraw/zinc/66/33/91/425663391.db2.gz RORRZMBIUBJLPD-UHFFFAOYSA-N 0 1 316.401 2.510 50 10 DFCAMN O=C1NC(=O)N(CCC2=CCCCC2)C(=O)/C1=C\c1ccco1 ZINC000206541190 426546643 /nfs/dbraw/zinc/54/66/43/426546643.db2.gz JEVKHOLGRKXLGA-KAMYIIQDSA-N 0 1 314.341 2.632 50 10 DFCAMN C[N@H+]1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1cc([N+](=O)[O-])ccc1[O-] ZINC000002495959 398347038 /nfs/dbraw/zinc/34/70/38/398347038.db2.gz GJFPLEFPQYVQJN-CWRNSKLLSA-N 0 1 306.362 2.598 50 10 DFCAMN Cc1cc(=O)n2[nH]c(=O)c(N=Nc3cccc(Cl)c3)c2[nH]1 ZINC000004649633 181132070 /nfs/dbraw/zinc/13/20/70/181132070.db2.gz DPVNIJDHYIKIKV-WUKNDPDISA-N 0 1 303.709 2.693 50 10 DFCAMN CC(=O)Nc1c(Cl)cc2c(c1O)C(=O)c1ccccc1C2=O ZINC000075249213 398793033 /nfs/dbraw/zinc/79/30/33/398793033.db2.gz IXZBKLSDLJMPIJ-UHFFFAOYSA-N 0 1 315.712 2.779 50 10 DFCAMN COc1c(CNCc2ccc(N3CCCC3)cc2)c(C)nn1C ZINC000065496428 184354662 /nfs/dbraw/zinc/35/46/62/184354662.db2.gz KBAPWMIWNZDBTQ-UHFFFAOYSA-N 0 1 314.433 2.627 50 10 DFCAMN CCCCc1sc(C=C2C(=O)NC(=O)NC2=O)cc1[N+](=O)[O-] ZINC000002739764 425600452 /nfs/dbraw/zinc/60/04/52/425600452.db2.gz GYNRIJPEDZJCRO-UHFFFAOYSA-N 0 1 323.330 2.589 50 10 DFCAMN Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(C)n1-c1ccccc1 ZINC000008744283 425676244 /nfs/dbraw/zinc/67/62/44/425676244.db2.gz PYZRIQRLVRSHCT-UHFFFAOYSA-N 0 1 309.325 2.684 50 10 DFCAMN Cn1cccc1C=C1C(=O)NC(=S)N(c2ccccc2)C1=O ZINC000020428484 425792205 /nfs/dbraw/zinc/79/22/05/425792205.db2.gz MEGFBASJGORXIQ-JLHYYAGUSA-N 0 1 311.366 2.697 50 10 DFCAMN Cc1ncc2c(n1)CCN(Cc1c(O)ccc3ccncc31)C2 ZINC000044979265 425859235 /nfs/dbraw/zinc/85/92/35/425859235.db2.gz OJPDRCGLYBKJKO-UHFFFAOYSA-N 0 1 306.369 2.597 50 10 DFCAMN COc1ccc(N2CCN(CCOc3ccccc3)CC2)cc1 ZINC000041563899 425852348 /nfs/dbraw/zinc/85/23/48/425852348.db2.gz GHSMTZNQZUJXNZ-UHFFFAOYSA-N 0 1 312.413 2.896 50 10 DFCAMN CCOc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 ZINC000016667665 182056873 /nfs/dbraw/zinc/05/68/73/182056873.db2.gz BGFWIUDYAMVKAS-VBKFSLOCSA-N 0 1 308.337 2.547 50 10 DFCAMN CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000017968428 182089099 /nfs/dbraw/zinc/08/90/99/182089099.db2.gz UBKLURQWFYULNC-UHFFFAOYSA-N 0 1 309.774 2.943 50 10 DFCAMN CCc1nnc(N=Cc2c(C)[nH]n(-c3ccccc3)c2=O)s1 ZINC000104683998 194027051 /nfs/dbraw/zinc/02/70/51/194027051.db2.gz YVMSXVMHRGXCAE-FMIVXFBMSA-N 0 1 313.386 2.819 50 10 DFCAMN O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(O)cc1 ZINC000000344824 425553896 /nfs/dbraw/zinc/55/38/96/425553896.db2.gz LTLHZKDASZUSMJ-RIYZIHGNSA-N 0 1 314.728 2.507 50 10 DFCAMN COc1ccccc1-c1ccc(C=C2C(=O)NC(=O)NC2=O)o1 ZINC000009042956 425680891 /nfs/dbraw/zinc/68/08/91/425680891.db2.gz TXAARKKDMPUFDS-UHFFFAOYSA-N 0 1 312.281 2.545 50 10 DFCAMN CC(C)(C)N1C(=O)NC(=O)/C(=C/c2ccccc2Cl)C1=O ZINC000004965121 181180881 /nfs/dbraw/zinc/18/08/81/181180881.db2.gz FPNMORXSKJQIJD-NTMALXAHSA-N 0 1 306.749 2.600 50 10 DFCAMN Cc1nonc1NC(=O)CSc1nc2ccc(Cl)cc2[nH]1 ZINC000018118427 182094083 /nfs/dbraw/zinc/09/40/83/182094083.db2.gz YSRQQVXGSGXCND-UHFFFAOYSA-N 0 1 323.765 2.639 50 10 DFCAMN Cc1cc(CN(C)Cc2cc(-c3cnccn3)ccc2O)on1 ZINC000011977749 425716004 /nfs/dbraw/zinc/71/60/04/425716004.db2.gz KQXDHGKOCGHAAC-UHFFFAOYSA-N 0 1 310.357 2.778 50 10 DFCAMN CN(C)c1ccc(CN(C)C(=O)c2[nH]nc3ccccc32)cc1 ZINC000012532055 425729598 /nfs/dbraw/zinc/72/95/98/425729598.db2.gz BANFRYLANBWPQX-UHFFFAOYSA-N 0 1 308.385 2.901 50 10 DFCAMN CCc1nnc(N=Cc2c(C)[nH]n(-c3ccccc3)c2=O)s1 ZINC000100930833 426483315 /nfs/dbraw/zinc/48/33/15/426483315.db2.gz YVMSXVMHRGXCAE-XFXZXTDPSA-N 0 1 313.386 2.819 50 10 DFCAMN Oc1ccc(-c2csc([C@H]3CN4CCC[C@H]4CO3)n2)cc1O ZINC000363099223 257236228 /nfs/dbraw/zinc/23/62/28/257236228.db2.gz NPMFFIHKNWKDMW-XHDPSFHLSA-N 0 1 318.398 2.757 50 10 DFCAMN Oc1ccc(-c2csc([C@@H]3CN4CCC[C@H]4CO3)n2)cc1O ZINC000363099221 257236457 /nfs/dbraw/zinc/23/64/57/257236457.db2.gz NPMFFIHKNWKDMW-NHYWBVRUSA-N 0 1 318.398 2.757 50 10 DFCAMN Cc1cc(/C=C2/NC(=O)NC2=O)c(C)n1-c1cccc(Cl)c1 ZINC000000509796 425565970 /nfs/dbraw/zinc/56/59/70/425565970.db2.gz IOOVPPWESCVTJM-VGOFMYFVSA-N 0 1 315.760 2.928 50 10 DFCAMN CCCCN1C(=O)NC(=O)C(=Cc2nc3ccccc3[nH]2)C1=O ZINC000008973022 425679750 /nfs/dbraw/zinc/67/97/50/425679750.db2.gz FSBIAFNIUYKHLU-KTKRTIGZSA-N 0 1 312.329 2.665 50 10 DFCAMN CN1CCN(c2ccc(CNC(=O)C3CCCCC3)cc2)CC1 ZINC000004362587 425618374 /nfs/dbraw/zinc/61/83/74/425618374.db2.gz VHFHGPUVQGOTAF-UHFFFAOYSA-N 0 1 315.461 2.635 50 10 DFCAMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\C=C\c1ccco1 ZINC000005043944 425623390 /nfs/dbraw/zinc/62/33/90/425623390.db2.gz LOIILWGTQBFWLE-NDUUIVGLSA-N 0 1 324.361 2.667 50 10 DFCAMN Cc1cc(/C=C2\NC(=O)NC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000012445262 425727141 /nfs/dbraw/zinc/72/71/41/425727141.db2.gz ZMVYSOCSUIDWHE-ZSOIEALJSA-N 0 1 315.760 2.928 50 10 DFCAMN CCc1ccc(N2NC(=O)/C(=C/C=C\c3ccco3)C2=O)cc1 ZINC000033308074 276668707 /nfs/dbraw/zinc/66/87/07/276668707.db2.gz MIFVHNNAIDORDI-YLTANLAUSA-N 0 1 308.337 2.860 50 10 DFCAMN CC(C)C(=O)N1CCN(Cc2c(O)ccc3ccccc32)CC1 ZINC000016358940 182042392 /nfs/dbraw/zinc/04/23/92/182042392.db2.gz NXELIDJNGPLABN-UHFFFAOYSA-N 0 1 312.413 2.846 50 10 DFCAMN Cc1cc(/C=C2/NC(=O)NC2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000000510059 425566363 /nfs/dbraw/zinc/56/63/63/425566363.db2.gz ROOAJJXSHQWJKB-CXUHLZMHSA-N 0 1 309.369 2.891 50 10 DFCAMN Cc1cc(F)ccc1NS(=O)(=O)c1cccc2nsnc21 ZINC000006727056 425627075 /nfs/dbraw/zinc/62/70/75/425627075.db2.gz URMRIKAXYFIMGS-UHFFFAOYSA-N 0 1 323.374 2.940 50 10 DFCAMN Cc1cccc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1 ZINC000049740620 425880510 /nfs/dbraw/zinc/88/05/10/425880510.db2.gz YPJDJXLXBHJXIV-UHFFFAOYSA-N 0 1 323.440 2.677 50 10 DFCAMN Cc1ccc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)o1 ZINC000065514894 425902824 /nfs/dbraw/zinc/90/28/24/425902824.db2.gz GUCLRELWAZBLAZ-UHFFFAOYSA-N 0 1 318.392 2.978 50 10 DFCAMN O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C/c1cccs1 ZINC000002967268 425606877 /nfs/dbraw/zinc/60/68/77/425606877.db2.gz CVKNBVVYFQHHMF-FMIVXFBMSA-N 0 1 304.371 2.543 50 10 DFCAMN CC(=O)c1cc(F)cc(CN2CCN(CC(C)C)CC2)c1O ZINC000095952863 426376474 /nfs/dbraw/zinc/37/64/74/426376474.db2.gz RHQBGSOAFZYNFM-UHFFFAOYSA-N 0 1 308.397 2.508 50 10 DFCAMN Cc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000015769363 280754179 /nfs/dbraw/zinc/75/41/79/280754179.db2.gz MCNQSGVKNBLVBX-LFIBNONCSA-N 0 1 320.348 2.657 50 10 DFCAMN Cc1ccc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)o1 ZINC000033351299 525960390 /nfs/dbraw/zinc/96/03/90/525960390.db2.gz DVPXYVXQFLDSAS-KPKJPENVSA-N 0 1 300.270 2.683 50 10 DFCAMN COc1cc([N+](=O)[O-])cc(C[N@H+]2CCc3ccccc3C2)c1[O-] ZINC000023280267 398423232 /nfs/dbraw/zinc/42/32/32/398423232.db2.gz SOFHCEHXYNXJJL-UHFFFAOYSA-N 0 1 314.341 2.867 50 10 DFCAMN O=C(C1CC1)N1CCN(Cc2c(O)ccc3ccccc32)CC1 ZINC000023674334 182366248 /nfs/dbraw/zinc/36/62/48/182366248.db2.gz UGDBAZFLLUSMMQ-UHFFFAOYSA-N 0 1 310.397 2.600 50 10 DFCAMN CC(=O)NC[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000065499970 184355243 /nfs/dbraw/zinc/35/52/43/184355243.db2.gz PWOCUWNPESSMBN-OAHLLOKOSA-N 0 1 312.413 2.894 50 10 DFCAMN CC(=O)NC[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000065499970 184355245 /nfs/dbraw/zinc/35/52/45/184355245.db2.gz PWOCUWNPESSMBN-OAHLLOKOSA-N 0 1 312.413 2.894 50 10 DFCAMN O=C1NN(c2ccc(F)cc2)C(=O)/C1=C\c1c[nH]c2ccccc12 ZINC000000368292 425555330 /nfs/dbraw/zinc/55/53/30/425555330.db2.gz TYGVONUNTQLWLJ-DHDCSXOGSA-N 0 1 321.311 2.768 50 10 DFCAMN COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc(O)cc1 ZINC000016622535 425785331 /nfs/dbraw/zinc/78/53/31/425785331.db2.gz WHYFUJIRFRTXGG-UHFFFAOYSA-N 0 1 307.371 2.818 50 10 DFCAMN O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(O)cc1 ZINC000016400305 425785714 /nfs/dbraw/zinc/78/57/14/425785714.db2.gz JJNROSVEUPIBNS-ZROIWOOFSA-N 0 1 314.728 2.507 50 10 DFCAMN Cc1cc(/C=C2/NC(=O)NC2=O)c(C)n1-c1c(C)cccc1C ZINC000000382059 301035352 /nfs/dbraw/zinc/03/53/52/301035352.db2.gz XTNUXPUBXPXXCR-OQLLNIDSSA-N 0 1 309.369 2.891 50 10 DFCAMN Cc1ccc(N2NC(=O)/C(=C/C=C/c3ccco3)C2=O)cc1C ZINC000004725048 181143161 /nfs/dbraw/zinc/14/31/61/181143161.db2.gz VIIKHZNKGYMZMO-JLJGJNDSSA-N 0 1 308.337 2.914 50 10 DFCAMN COc1ccc(NS(=O)(=O)c2cccc3nsnc32)cc1 ZINC000000054524 425532058 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CN(C)c1ccc(Cn2c(=O)c3ccccc3[nH]c2=S)cc1 ZINC000096316525 426414384 /nfs/dbraw/zinc/41/43/84/426414384.db2.gz LIQSSPNRVFRAIF-UHFFFAOYSA-N 0 1 311.410 2.800 50 10 DFCAMN C[C@H](C(=O)NCCc1ccccc1)N(C)Cc1ccccc1O ZINC000095397357 185353189 /nfs/dbraw/zinc/35/31/89/185353189.db2.gz ZWYGVMALYXWAGF-OAHLLOKOSA-N 0 1 312.413 2.571 50 10 DFCAMN O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C/c1cccc(F)c1 ZINC000004783807 181151898 /nfs/dbraw/zinc/15/18/98/181151898.db2.gz UWQYTYBAJYVWFW-GXDHUFHOSA-N 0 1 316.332 2.620 50 10 DFCAMN O=C(Nc1cccc(N2CCOCC2)c1)c1c(O)cccc1F ZINC000132442671 398856994 /nfs/dbraw/zinc/85/69/94/398856994.db2.gz RVMKHWSCZYEFKT-UHFFFAOYSA-N 0 1 316.332 2.620 50 10 DFCAMN Cc1cc(/C=C2\NC(=O)NC2=O)c(C)n1-c1ccc(C)cc1C ZINC000013471627 181853319 /nfs/dbraw/zinc/85/33/19/181853319.db2.gz DUSMPJPGAVRNID-DHDCSXOGSA-N 0 1 309.369 2.891 50 10 DFCAMN Cc1ccc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)cc1 ZINC000000453003 425561904 /nfs/dbraw/zinc/56/19/04/425561904.db2.gz LHMYYMUOZAGIAO-PTNGSMBKSA-N 0 1 312.369 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/nfs/dbraw/zinc/61/94/79/425619479.db2.gz XZHYSJNONCHZPP-YBEGLDIGSA-N 0 1 310.328 2.904 50 10 DFCAMN CC(C)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 ZINC000096316162 426414133 /nfs/dbraw/zinc/41/41/33/426414133.db2.gz ITZMYZRGQCROGS-ATVHPVEESA-N 0 1 322.364 2.935 50 10 DFCAMN O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C\c1cccc(F)c1 ZINC000015013887 280279058 /nfs/dbraw/zinc/27/90/58/280279058.db2.gz UWQYTYBAJYVWFW-UVTDQMKNSA-N 0 1 316.332 2.620 50 10 DFCAMN C[N@H+]1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1cc([N+](=O)[O-])ccc1[O-] ZINC000022781493 398420548 /nfs/dbraw/zinc/42/05/48/398420548.db2.gz GJFPLEFPQYVQJN-VNQPRFMTSA-N 0 1 306.362 2.598 50 10 DFCAMN CN(C)CCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2 ZINC000040937679 183149133 /nfs/dbraw/zinc/14/91/33/183149133.db2.gz ICJPFVSSXJRLPN-UHFFFAOYSA-N 0 1 318.376 2.775 50 10 DFCAMN O=C1NC(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1ccoc1 ZINC000017043750 284855426 /nfs/dbraw/zinc/85/54/26/284855426.db2.gz AXELCUBJYLVWRY-NTUHNPAUSA-N 0 1 314.272 2.921 50 10 DFCAMN Cc1cc(CN2CCN(Cc3cc(C)c(C)cc3O)CC2)no1 ZINC000058356605 184108367 /nfs/dbraw/zinc/10/83/67/184108367.db2.gz HQUXTZUVDCPWQU-UHFFFAOYSA-N 0 1 315.417 2.623 50 10 DFCAMN CC/C(C)=C1\C(=O)NN(c2ccc(Br)cc2)C1=O ZINC000000053314 425531197 /nfs/dbraw/zinc/53/11/97/425531197.db2.gz XRLQZSKNSIMSPC-DHZHZOJOSA-N 0 1 309.163 2.553 50 10 DFCAMN CC(C)(C)N1C(=O)NC(=O)C(=Cc2ccc([N+](=O)[O-])s2)C1=O ZINC000000086060 425534688 /nfs/dbraw/zinc/53/46/88/425534688.db2.gz IIQYJSUPWQNWSP-SOFGYWHQSA-N 0 1 323.330 2.757 50 10 DFCAMN Oc1cc2c(cc1CN1CCC[C@@H](C(F)(F)F)C1)OCO2 ZINC000008985953 425679563 /nfs/dbraw/zinc/67/95/63/425679563.db2.gz DVAWLZSFAQZIPP-SNVBAGLBSA-N 0 1 303.280 2.895 50 10 DFCAMN CC/C(C)=C1/C(=O)NN(c2ccc(Br)cc2)C1=O ZINC000033284239 425841728 /nfs/dbraw/zinc/84/17/28/425841728.db2.gz XRLQZSKNSIMSPC-FLIBITNWSA-N 0 1 309.163 2.553 50 10 DFCAMN CCCN(Cc1ccccc1O)C(=O)c1ccc2[nH]nnc2c1 ZINC000069451743 425940522 /nfs/dbraw/zinc/94/05/22/425940522.db2.gz ODGLFTGNHZBDED-UHFFFAOYSA-N 0 1 310.357 2.716 50 10 DFCAMN OC1CCN(c2ccc(CNCc3ccco3)cc2F)CC1 ZINC000238156042 426711891 /nfs/dbraw/zinc/71/18/91/426711891.db2.gz SBPZNKVNBAIXBY-UHFFFAOYSA-N 0 1 304.365 2.670 50 10 DFCAMN Cc1ccc(N2C(=O)/C(=C/c3ccccc3)C(=O)NC2=S)cc1 ZINC000018194617 280859246 /nfs/dbraw/zinc/85/92/46/280859246.db2.gz KORJVJHMJVTWGX-RVDMUPIBSA-N 0 1 322.389 2.826 50 10 DFCAMN c1nc2c(ncnc2NCc2ccc(N3CCCCC3)cc2)[nH]1 ZINC000170596188 399008398 /nfs/dbraw/zinc/00/83/98/399008398.db2.gz AJLKNFWQIABNOI-UHFFFAOYSA-N 0 1 308.389 2.955 50 10 DFCAMN Cc1ccc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)cc1 ZINC000012868119 278779262 /nfs/dbraw/zinc/77/92/62/278779262.db2.gz LHMYYMUOZAGIAO-RVDMUPIBSA-N 0 1 312.369 2.790 50 10 DFCAMN Oc1ccc(-c2csc([C@@H]3CN4CCC[C@@H]4CO3)n2)cc1O ZINC000102662690 526338374 /nfs/dbraw/zinc/33/83/74/526338374.db2.gz NPMFFIHKNWKDMW-ABAIWWIYSA-N 0 1 318.398 2.757 50 10 DFCAMN O=C1NC(=O)C(=Cc2ccc(OCc3ccccc3)cc2)C(=O)N1 ZINC000003139774 180985165 /nfs/dbraw/zinc/98/51/65/180985165.db2.gz RPNLKHSBSLHOSQ-UHFFFAOYSA-N 0 1 322.320 2.855 50 10 DFCAMN O=C1NC(=S)N(c2ccccc2)C(=O)C1=Cc1cccs1 ZINC000009042776 284856515 /nfs/dbraw/zinc/85/65/15/284856515.db2.gz WEWZBFFNDBYMJO-XFXZXTDPSA-N 0 1 314.391 2.991 50 10 DFCAMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccco1 ZINC000006926951 296355667 /nfs/dbraw/zinc/35/56/67/296355667.db2.gz RJAGHGTWLAORIL-NTMALXAHSA-N 0 1 316.313 2.661 50 10 DFCAMN CN(C)Cc1cc(CNC(=O)C2=CC(=O)CS2)ccc1F ZINC000102752499 425927380 /nfs/dbraw/zinc/92/73/80/425927380.db2.gz IWZHPGRHVLZUHI-UHFFFAOYSA-N 0 1 308.378 2.584 50 10 DFCAMN Cc1ccccc1N1C(=O)C(=Cc2ccc[nH]2)C(=O)NC1=S ZINC000001236801 425575674 /nfs/dbraw/zinc/57/56/74/425575674.db2.gz OUNSYHXRBPRJPH-FMIVXFBMSA-N 0 1 311.366 2.566 50 10 DFCAMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc[nH]1 ZINC000001835787 425586963 /nfs/dbraw/zinc/58/69/63/425586963.db2.gz LMLUPUINKJJSPU-WQLSENKSSA-N 0 1 315.329 2.825 50 10 DFCAMN [O-]c1ccc(Br)cc1C[NH2+]C[C@H](O)c1ccccc1 ZINC000069533567 425945451 /nfs/dbraw/zinc/94/54/51/425945451.db2.gz GECBFNKNXHFILP-HNNXBMFYSA-N 0 1 322.202 2.978 50 10 DFCAMN c1ncn(C[C@H](NCc2ccc3c(c2)CCO3)c2ccccc2)n1 ZINC000077404402 426131935 /nfs/dbraw/zinc/13/19/35/426131935.db2.gz BOBDASSPVZVEIV-SFHVURJKSA-N 0 1 320.396 2.744 50 10 DFCAMN CC(=O)NC[C@@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000065499964 184355288 /nfs/dbraw/zinc/35/52/88/184355288.db2.gz PWOCUWNPESSMBN-HNNXBMFYSA-N 0 1 312.413 2.894 50 10 DFCAMN CC(=O)NC[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000065499964 184355290 /nfs/dbraw/zinc/35/52/90/184355290.db2.gz PWOCUWNPESSMBN-HNNXBMFYSA-N 0 1 312.413 2.894 50 10 DFCAMN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=CC=Cc1ccco1 ZINC000008994093 425678549 /nfs/dbraw/zinc/67/85/49/425678549.db2.gz RNVCZUVVNHJQAA-LJFOGHRTSA-N 0 1 312.281 2.931 50 10 DFCAMN COc1cc([O-])c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1 ZINC000014813714 425774433 /nfs/dbraw/zinc/77/44/33/425774433.db2.gz RRRSSAVLTCVNIQ-UHFFFAOYSA-N 0 1 300.266 2.585 50 10 endogenous,in-man DFCAMN COc1cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1 ZINC000014813714 425774440 /nfs/dbraw/zinc/77/44/40/425774440.db2.gz RRRSSAVLTCVNIQ-UHFFFAOYSA-N 0 1 300.266 2.585 50 10 endogenous,in-man DFCAMN COc1ccc(N2CCN(Cc3cc(C4CC4)[nH]n3)CC2)cc1 ZINC000020660988 425794988 /nfs/dbraw/zinc/79/49/88/425794988.db2.gz TXNMPQMIXHYEEC-UHFFFAOYSA-N 0 1 312.417 2.618 50 10 DFCAMN COc1ccc(OC)c(S(=O)(=O)Nc2ccc(O)cc2C)c1 ZINC000035686139 425844531 /nfs/dbraw/zinc/84/45/31/425844531.db2.gz XJICRBXDQLGNDQ-UHFFFAOYSA-N 0 1 323.370 2.519 50 10 DFCAMN Cc1ccc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000049740621 425880499 /nfs/dbraw/zinc/88/04/99/425880499.db2.gz PEEXFDIDOMBKHE-UHFFFAOYSA-N 0 1 323.440 2.677 50 10 DFCAMN COC(=O)c1cc2ccccc2c(CN2CCO[C@H](C)C2)c1O ZINC000024528511 182382395 /nfs/dbraw/zinc/38/23/95/182382395.db2.gz HMNHVPIUBKEXMQ-GFCCVEGCSA-N 0 1 315.369 2.553 50 10 DFCAMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000012593216 425733688 /nfs/dbraw/zinc/73/36/88/425733688.db2.gz UDACFEFNFIBWQY-CQSZACIVSA-N 0 1 318.808 2.594 50 10 DFCAMN CCc1ccc(N2NC(=O)/C(=C/C=C/c3ccco3)C2=O)cc1 ZINC000013482424 425755641 /nfs/dbraw/zinc/75/56/41/425755641.db2.gz MIFVHNNAIDORDI-JLJGJNDSSA-N 0 1 308.337 2.860 50 10 aggregator DFCAMN COc1cccc(NC=C2C(=O)OC3(CCCCC3)OC2=O)c1 ZINC000100549916 426482976 /nfs/dbraw/zinc/48/29/76/426482976.db2.gz VUUDYTQTJJHYFZ-UHFFFAOYSA-N 0 1 317.341 2.751 50 10 DFCAMN Cc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccccc2)C1=O ZINC000000071556 281332589 /nfs/dbraw/zinc/33/25/89/281332589.db2.gz MLQJORHOABJONL-RVDMUPIBSA-N 0 1 322.389 2.826 50 10 DFCAMN COc1ccc(N2CCN(Cc3[nH]cnc3C)CC2(C)C)cc1 ZINC000072144188 191051973 /nfs/dbraw/zinc/05/19/73/191051973.db2.gz WXIUVKJCTGMJKH-UHFFFAOYSA-N 0 1 314.433 2.828 50 10 DFCAMN Cc1ccc(NS(=O)(=O)c2cccc3nsnc32)cc1 ZINC000000549643 425567387 /nfs/dbraw/zinc/56/73/87/425567387.db2.gz YRKOLCUABJBOOC-UHFFFAOYSA-N 0 1 305.384 2.801 50 10 DFCAMN CN(C)c1ccc(C=C2C(=O)NC(=O)N(C(C)(C)C)C2=O)cc1 ZINC000008971884 425678624 /nfs/dbraw/zinc/67/86/24/425678624.db2.gz ZSBQIKGHBSJVEE-RAXLEYEMSA-N 0 1 315.373 2.853 50 10 DFCAMN CCOCCC[NH2+]Cc1cc(-c2cccc(OC)n2)ccc1[O-] ZINC000012165373 425720142 /nfs/dbraw/zinc/72/01/42/425720142.db2.gz ZMSDAZOBQOQYEI-UHFFFAOYSA-N 0 1 316.401 2.979 50 10 DFCAMN C[NH+](C)Cc1c([O-])ccc2c(O)c(-c3ccccc3)c(=O)oc21 ZINC000020759972 425794104 /nfs/dbraw/zinc/79/41/04/425794104.db2.gz GWAASZPEOFNSKW-UHFFFAOYSA-N 0 1 311.337 2.933 50 10 DFCAMN O=C1[C@@H](NCc2ccc3c(c2)CCO3)CCN1Cc1ccccc1 ZINC000071841253 425994262 /nfs/dbraw/zinc/99/42/62/425994262.db2.gz IFNQSNXCICHTHW-SFHVURJKSA-N 0 1 322.408 2.512 50 10 DFCAMN CCOc1ccc(N=Nc2c(=O)[nH]n3c2[nH]c(C)cc3=O)cc1 ZINC000334159078 427746409 /nfs/dbraw/zinc/74/64/09/427746409.db2.gz WLZJRJPXYRHPRM-UHFFFAOYSA-N 0 1 313.317 2.851 50 10 DFCAMN C[N@H+]1CC[C@]2(O)CCCC[C@H]2[C@H]1c1cc([N+](=O)[O-])ccc1[O-] ZINC000584904303 398431431 /nfs/dbraw/zinc/43/14/31/398431431.db2.gz GJFPLEFPQYVQJN-NUEKZKHPSA-N 0 1 306.362 2.598 50 10 DFCAMN O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C\c1ccc(F)cc1 ZINC000000192668 284860481 /nfs/dbraw/zinc/86/04/81/284860481.db2.gz KZIIJZJXBXWFHI-UVTDQMKNSA-N 0 1 316.332 2.620 50 10 DFCAMN Cc1cc(CN2CCN(Cc3cc(C)c(C)cc3O)CC2)on1 ZINC000053585510 425888165 /nfs/dbraw/zinc/88/81/65/425888165.db2.gz KEOTTYMTPYSDTO-UHFFFAOYSA-N 0 1 315.417 2.623 50 10 DFCAMN Cc1cc(/C=C2/NC(=O)NC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000000036584 425529866 /nfs/dbraw/zinc/52/98/66/425529866.db2.gz ZMVYSOCSUIDWHE-RIYZIHGNSA-N 0 1 315.760 2.928 50 10 DFCAMN O=C1NN(c2cccc(F)c2)C(=O)/C1=C/c1c[nH]c2ccccc12 ZINC000000368298 425556258 /nfs/dbraw/zinc/55/62/58/425556258.db2.gz GOKRIFXSNPHKDV-OVCLIPMQSA-N 0 1 321.311 2.768 50 10 DFCAMN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(O)cc1 ZINC000016622162 425784436 /nfs/dbraw/zinc/78/44/36/425784436.db2.gz LFNFJXIYUIRSDU-UHFFFAOYSA-N 0 1 313.762 2.855 50 10 DFCAMN CN(C)c1ccc([C@H]2NC(=N)Nc3nc4ccccc4n32)cc1 ZINC000001408189 282294931 /nfs/dbraw/zinc/29/49/31/282294931.db2.gz VSDUZOLYIPLEJP-HNNXBMFYSA-N 0 1 306.373 2.599 50 10 DFCAMN COc1ccc(CNCc2ccc(N(C)C)c(F)c2)cc1O ZINC000058203171 184087729 /nfs/dbraw/zinc/08/77/29/184087729.db2.gz NOUUOYHXEZCCHP-UHFFFAOYSA-N 0 1 304.365 2.896 50 10 DFCAMN COC(OC)c1n[nH]c2c1ccc1c2C(=O)c2ccccc2C1=O ZINC000008694904 425672110 /nfs/dbraw/zinc/67/21/10/425672110.db2.gz SFAPYSLBNQPGDJ-UHFFFAOYSA-N 0 1 322.320 2.630 50 10 DFCAMN [O-]c1ccc(Br)cc1C[NH2+]Cc1ccccc1CO ZINC000071792556 425988245 /nfs/dbraw/zinc/98/82/45/425988245.db2.gz AFQIDFUTHUDGKN-UHFFFAOYSA-N 0 1 322.202 2.937 50 10 DFCAMN Cc1n[nH]c(C)c1N=Cc1c(C)[nH]n(-c2ccc(F)cc2)c1=O ZINC000059858446 184141808 /nfs/dbraw/zinc/14/18/08/184141808.db2.gz CJNJMGNJLUUZBC-ZSOIEALJSA-N 0 1 313.336 2.884 50 10 DFCAMN Cc1ccc(C=C2C(=O)NC(=O)N(C[C@@H]3CCCO3)C2=O)s1 ZINC000009043238 425681396 /nfs/dbraw/zinc/68/13/96/425681396.db2.gz PYZRUFWYEWOGBS-QVIVLVACSA-N 0 1 320.370 2.538 50 10 DFCAMN CCOC(=O)N1CCN(Cc2c(O)ccc3ccccc32)CC1 ZINC000024334040 182378856 /nfs/dbraw/zinc/37/88/56/182378856.db2.gz XNJNLZDHFVAXFI-UHFFFAOYSA-N 0 1 314.385 2.820 50 10 DFCAMN CCN1c2ccccc2SC1=CC=C1C(=O)NC(=O)NC1=O ZINC000032703938 542431004 /nfs/dbraw/zinc/43/10/04/542431004.db2.gz LDQSETORXCHALP-WQLSENKSSA-N 0 1 315.354 2.593 50 10 DFCAMN CC(C)Cc1cc(CC2(NCc3ccccc3O)COC2)no1 ZINC000067898227 425914740 /nfs/dbraw/zinc/91/47/40/425914740.db2.gz YYNTXLHCKIKCOD-UHFFFAOYSA-N 0 1 316.401 2.680 50 10 biogenic,in-vitro DFCAMN CN1CCN(c2ccc(CNC(=O)Nc3ccccc3)cc2)CC1 ZINC000049740650 425880535 /nfs/dbraw/zinc/88/05/35/425880535.db2.gz ZZUDQWQMLLMTAJ-UHFFFAOYSA-N 0 1 324.428 2.760 50 10 DFCAMN CCCCN1C(=O)NC(=O)C(=CC=CNc2ccccc2)C1=O ZINC000008997059 425679493 /nfs/dbraw/zinc/67/94/93/425679493.db2.gz DPBIEKPFFACCOR-MYUCQOFCSA-N 0 1 313.357 2.622 50 10 DFCAMN Oc1ccc(-c2csc([C@H]3CN4CCC[C@@H]4CO3)n2)cc1O ZINC000102662691 526337686 /nfs/dbraw/zinc/33/76/86/526337686.db2.gz NPMFFIHKNWKDMW-IAQYHMDHSA-N 0 1 318.398 2.757 50 10 DFCAMN O=S(=O)(Nc1ccc(O)cc1)c1cccc2cccnc21 ZINC000000470734 425563136 /nfs/dbraw/zinc/56/31/36/425563136.db2.gz KVFNSUPFXGYOKN-UHFFFAOYSA-N 0 1 300.339 2.741 50 10 DFCAMN Oc1cc2c(cc1CN1CCC[C@H](C(F)(F)F)C1)OCO2 ZINC000008985951 425679455 /nfs/dbraw/zinc/67/94/55/425679455.db2.gz DVAWLZSFAQZIPP-JTQLQIEISA-N 0 1 303.280 2.895 50 10 DFCAMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000012593221 425733241 /nfs/dbraw/zinc/73/32/41/425733241.db2.gz UDACFEFNFIBWQY-AWEZNQCLSA-N 0 1 318.808 2.594 50 10 DFCAMN O=C1[C@H](NCc2ccc3c(c2)CCO3)CCN1Cc1ccccc1 ZINC000071841254 425994479 /nfs/dbraw/zinc/99/44/79/425994479.db2.gz IFNQSNXCICHTHW-GOSISDBHSA-N 0 1 322.408 2.512 50 10 DFCAMN O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C/C=C/c1ccco1 ZINC000013774729 280279159 /nfs/dbraw/zinc/27/91/59/280279159.db2.gz PEPFVDSMVQEEGF-QXAPVUDZSA-N 0 1 314.341 2.630 50 10 DFCAMN