smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)c1c(C)cc([O-])cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000067913388 202202853 /nfs/dbraw/zinc/20/28/53/202202853.db2.gz GXLXFBBEKMNRQK-TVKJYDDYSA-N -1 1 328.317 -0.918 40 0 biogenic,in-vitro EBABMM O=C([C@@H]1CCCO1)N1CCc2nc(N3CCOCC3)[n-]c(=O)c2C1 ZINC000012144558 296021278 /nfs/dbraw/zinc/02/12/78/296021278.db2.gz AVHHBGIVPHXWMA-ZDUSSCGKSA-N -1 1 334.376 -0.330 40 0 EBABMM COc1ncccc1CN1CC[C@@]2(C1)Cn1c(n[n-]c(=O)c1=O)CO2 ZINC000306124832 419408335 /nfs/dbraw/zinc/40/83/35/419408335.db2.gz CAOXMXMLWGXHHK-MRXNPFEDSA-N -1 1 345.359 -0.490 40 0 EBABMM Cc1cc(=O)[n-]c([C@@H]2CN(S(=O)(=O)c3cn(C)cn3)CCO2)n1 ZINC000257321880 419302788 /nfs/dbraw/zinc/30/27/88/419302788.db2.gz WDQWIGMOVPYLKZ-JTQLQIEISA-N -1 1 339.377 -0.014 40 0 EBABMM CCOC(=O)C1=C[C@@](C)(C(=O)OCC)Nc2c(nc(N)[n-]c2=O)N1 ZINC000017224175 376081523 /nfs/dbraw/zinc/08/15/23/376081523.db2.gz VXNZPAGSGBYICC-AWEZNQCLSA-N -1 1 337.336 -0.042 40 0 EBABMM CC(C)C[C@@H](C(=O)[O-])N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000566358036 376758812 /nfs/dbraw/zinc/75/88/12/376758812.db2.gz CSMUDPDRZPHCPS-ZDUSSCGKSA-N -1 1 349.453 -0.320 40 0 EBABMM Cn1cc(C(=O)N2CCOC[C@H]2c2[n-]ncc2S(C)(=O)=O)cn1 ZINC000257269624 379196270 /nfs/dbraw/zinc/19/62/70/379196270.db2.gz MQSLHPXSNLSLRL-JTQLQIEISA-N -1 1 339.377 -0.240 40 0 EBABMM Cn1cc(C(=O)N2CCOC[C@H]2c2n[n-]cc2S(C)(=O)=O)cn1 ZINC000257269624 379196276 /nfs/dbraw/zinc/19/62/76/379196276.db2.gz MQSLHPXSNLSLRL-JTQLQIEISA-N -1 1 339.377 -0.240 40 0 EBABMM Cn1nccc1C(=O)N1CCOC[C@@H]1c1[n-]ncc1S(C)(=O)=O ZINC000257248935 244262637 /nfs/dbraw/zinc/26/26/37/244262637.db2.gz JFWGJHLYMDGNGB-SNVBAGLBSA-N -1 1 339.377 -0.240 40 0 EBABMM Cn1nccc1C(=O)N1CCOC[C@@H]1c1n[n-]cc1S(C)(=O)=O ZINC000257248935 244262642 /nfs/dbraw/zinc/26/26/42/244262642.db2.gz JFWGJHLYMDGNGB-SNVBAGLBSA-N -1 1 339.377 -0.240 40 0 EBABMM CS(=O)(=O)c1c[n-]nc1[C@@H]1COCCN1C(=O)c1c[nH]cn1 ZINC000257282971 379195238 /nfs/dbraw/zinc/19/52/38/379195238.db2.gz OWCJHDJLKHZCJM-VIFPVBQESA-N -1 1 325.350 -0.250 40 0 EBABMM CC(C)C[C@H](NC(=O)[C@H](NC(=O)[C@H](N)[C@@H](C)O)C(C)C)C(=O)[O-] ZINC000005462376 279188542 /nfs/dbraw/zinc/18/85/42/279188542.db2.gz BKVICMPZWRNWOC-WRWGMCAJSA-N -1 1 331.413 -0.549 40 0 EBABMM CC(=O)N1CCN(Cc2ccccc2OCC(=O)[O-])C[C@H](C(N)=O)C1 ZINC000257276462 534795039 /nfs/dbraw/zinc/79/50/39/534795039.db2.gz NTVDQWRTLUPWPM-AWEZNQCLSA-N -1 1 349.387 -0.084 40 0 EBABMM CC(C)C[C@H](C(=O)[O-])N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000566358030 376760586 /nfs/dbraw/zinc/76/05/86/376760586.db2.gz CSMUDPDRZPHCPS-CYBMUJFWSA-N -1 1 349.453 -0.320 40 0 EBABMM CS(=O)(=O)c1cn[n-]c1[C@@H]1COCCN1C(=O)c1cncnc1 ZINC000257299071 379198064 /nfs/dbraw/zinc/19/80/64/379198064.db2.gz ROQRIORHLQZVFQ-JTQLQIEISA-N -1 1 337.361 -0.183 40 0 EBABMM CS(=O)(=O)c1c[n-]nc1[C@@H]1COCCN1C(=O)c1cncnc1 ZINC000257299071 379198072 /nfs/dbraw/zinc/19/80/72/379198072.db2.gz ROQRIORHLQZVFQ-JTQLQIEISA-N -1 1 337.361 -0.183 40 0 EBABMM Cc1cc(=O)[n-]c([C@@H]2CN(S(=O)(=O)N3CCOCC3)CCO2)n1 ZINC000257321676 244521278 /nfs/dbraw/zinc/52/12/78/244521278.db2.gz WCSDSSNOGVZZBC-NSHDSACASA-N -1 1 344.393 -0.559 40 0 EBABMM CS(=O)(=O)c1c[n-]nc1[C@@H]1CCN(S(=O)(=O)N2CCCC2)C1 ZINC000257315236 419302885 /nfs/dbraw/zinc/30/28/85/419302885.db2.gz VALWATROQPLLMO-SNVBAGLBSA-N -1 1 348.450 -0.057 40 0 EBABMM CS(=O)(=O)c1cn[n-]c1[C@@H]1CCN(S(=O)(=O)N2CCCC2)C1 ZINC000257315236 419302887 /nfs/dbraw/zinc/30/28/87/419302887.db2.gz VALWATROQPLLMO-SNVBAGLBSA-N -1 1 348.450 -0.057 40 0 EBABMM Cc1c(S(=O)(=O)[N-]Cc2cccs2)c(=O)n(C)c(=O)n1C ZINC000004337711 210173944 /nfs/dbraw/zinc/17/39/44/210173944.db2.gz LHQVWGVRJSMEJZ-UHFFFAOYSA-N -1 1 329.403 -0.068 40 0 EBABMM O=C([C@H]1CCCO1)N1CCc2nc(N3CCOCC3)[n-]c(=O)c2C1 ZINC000012144559 375959669 /nfs/dbraw/zinc/95/96/69/375959669.db2.gz AVHHBGIVPHXWMA-CYBMUJFWSA-N -1 1 334.376 -0.330 40 0 EBABMM CS(=O)(=O)c1c[n-]nc1[C@H]1CCN(S(=O)(=O)c2cn[nH]c2)C1 ZINC000257241124 244244990 /nfs/dbraw/zinc/24/49/90/244244990.db2.gz HWRPOEQPKPKLTH-QMMMGPOBSA-N -1 1 345.406 -0.286 40 0 EBABMM CS(=O)(=O)c1cn[n-]c1[C@H]1CCN(S(=O)(=O)c2cn[nH]c2)C1 ZINC000257241124 244244993 /nfs/dbraw/zinc/24/49/93/244244993.db2.gz HWRPOEQPKPKLTH-QMMMGPOBSA-N -1 1 345.406 -0.286 40 0 EBABMM Cc1cc(=O)[n-]c([C@@H]2CN(S(=O)(=O)c3cn[nH]c3)CCO2)n1 ZINC000257259667 244293495 /nfs/dbraw/zinc/29/34/95/244293495.db2.gz KZLCCRJPERLSPL-JTQLQIEISA-N -1 1 325.350 -0.024 40 0 EBABMM Cn1nccc1C(=O)N1CCOC[C@H]1c1[n-]ncc1S(C)(=O)=O ZINC000257248934 303064605 /nfs/dbraw/zinc/06/46/05/303064605.db2.gz JFWGJHLYMDGNGB-JTQLQIEISA-N -1 1 339.377 -0.240 40 0 EBABMM Cn1nccc1C(=O)N1CCOC[C@H]1c1n[n-]cc1S(C)(=O)=O ZINC000257248934 303064607 /nfs/dbraw/zinc/06/46/07/303064607.db2.gz JFWGJHLYMDGNGB-JTQLQIEISA-N -1 1 339.377 -0.240 40 0 EBABMM CC(=O)N1CCN(Cc2ccccc2OCC(=O)[O-])C[C@@H](C(N)=O)C1 ZINC000257276463 534793793 /nfs/dbraw/zinc/79/37/93/534793793.db2.gz NTVDQWRTLUPWPM-CQSZACIVSA-N -1 1 349.387 -0.084 40 0 EBABMM Cn1ccnc1C(=O)N1CCOC[C@@H]1c1[n-]ncc1S(C)(=O)=O ZINC000257310297 379199295 /nfs/dbraw/zinc/19/92/95/379199295.db2.gz UENQSLWIWSYRAX-SECBINFHSA-N -1 1 339.377 -0.240 40 0 EBABMM Cn1ccnc1C(=O)N1CCOC[C@@H]1c1n[n-]cc1S(C)(=O)=O ZINC000257310297 379199300 /nfs/dbraw/zinc/19/93/00/379199300.db2.gz UENQSLWIWSYRAX-SECBINFHSA-N -1 1 339.377 -0.240 40 0 EBABMM Cn1ccc(C(=O)N2CCOC[C@H]2c2[n-]ncc2S(C)(=O)=O)n1 ZINC000257219338 379192157 /nfs/dbraw/zinc/19/21/57/379192157.db2.gz DGLNWKARBKTZLK-JTQLQIEISA-N -1 1 339.377 -0.240 40 0 EBABMM Cn1ccc(C(=O)N2CCOC[C@H]2c2n[n-]cc2S(C)(=O)=O)n1 ZINC000257219338 379192164 /nfs/dbraw/zinc/19/21/64/379192164.db2.gz DGLNWKARBKTZLK-JTQLQIEISA-N -1 1 339.377 -0.240 40 0 EBABMM COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCC(N)=O ZINC000008113021 381194347 /nfs/dbraw/zinc/19/43/47/381194347.db2.gz RPRSKTXCGWSJKL-UHFFFAOYSA-N -1 1 335.341 -0.526 40 0 EBABMM COc1ncccc1CN1CC[C@]2(C1)Cn1c(n[n-]c(=O)c1=O)CO2 ZINC000306124831 419408729 /nfs/dbraw/zinc/40/87/29/419408729.db2.gz CAOXMXMLWGXHHK-INIZCTEOSA-N -1 1 345.359 -0.490 40 0 EBABMM Cc1cc(=O)[n-]c([C@H]2CN(S(=O)(=O)c3cn[nH]c3)CCO2)n1 ZINC000257259668 244293175 /nfs/dbraw/zinc/29/31/75/244293175.db2.gz KZLCCRJPERLSPL-SNVBAGLBSA-N -1 1 325.350 -0.024 40 0 EBABMM COc1ccc(CC[N-]S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1 ZINC000223284457 241628204 /nfs/dbraw/zinc/62/82/04/241628204.db2.gz HWCWISKRCMNPMA-UHFFFAOYSA-N -1 1 339.373 -0.099 40 0 EBABMM CC(C)C[C@@H](NC(=O)[C@H](NC(=O)[C@H](N)[C@@H](C)O)C(C)C)C(=O)[O-] ZINC000005462384 375903973 /nfs/dbraw/zinc/90/39/73/375903973.db2.gz BKVICMPZWRNWOC-DDHJBXDOSA-N -1 1 331.413 -0.549 40 0 EBABMM CS(=O)(=O)c1cn[n-]c1[C@H]1COCCN1C(=O)c1ccncn1 ZINC000257291367 379194452 /nfs/dbraw/zinc/19/44/52/379194452.db2.gz QGQGYUDXFPOCOD-SNVBAGLBSA-N -1 1 337.361 -0.183 40 0 EBABMM CS(=O)(=O)c1c[n-]nc1[C@H]1COCCN1C(=O)c1ccncn1 ZINC000257291367 379194463 /nfs/dbraw/zinc/19/44/63/379194463.db2.gz QGQGYUDXFPOCOD-SNVBAGLBSA-N -1 1 337.361 -0.183 40 0 EBABMM CS(=O)(=O)c1c[n-]nc1[C@H]1COCCN1C(=O)c1c[nH]cn1 ZINC000257282970 379195360 /nfs/dbraw/zinc/19/53/60/379195360.db2.gz OWCJHDJLKHZCJM-SECBINFHSA-N -1 1 325.350 -0.250 40 0 EBABMM CS(=O)(=O)c1cn[n-]c1[C@H]1COCCN1C(=O)c1cncnc1 ZINC000257299072 379197244 /nfs/dbraw/zinc/19/72/44/379197244.db2.gz ROQRIORHLQZVFQ-SNVBAGLBSA-N -1 1 337.361 -0.183 40 0 EBABMM CS(=O)(=O)c1c[n-]nc1[C@H]1COCCN1C(=O)c1cncnc1 ZINC000257299072 379197249 /nfs/dbraw/zinc/19/72/49/379197249.db2.gz ROQRIORHLQZVFQ-SNVBAGLBSA-N -1 1 337.361 -0.183 40 0 EBABMM CS(=O)(=O)c1cn[n-]c1[C@@H]1COCCN1C(=O)c1cccnn1 ZINC000257330547 379200883 /nfs/dbraw/zinc/20/08/83/379200883.db2.gz XOWKLFMNIYOTDV-JTQLQIEISA-N -1 1 337.361 -0.183 40 0 EBABMM CS(=O)(=O)c1c[n-]nc1[C@@H]1COCCN1C(=O)c1cccnn1 ZINC000257330547 379200887 /nfs/dbraw/zinc/20/08/87/379200887.db2.gz XOWKLFMNIYOTDV-JTQLQIEISA-N -1 1 337.361 -0.183 40 0 EBABMM CS(=O)(=O)c1cn[n-]c1[C@@H]1COCCN1C(=O)c1ccncn1 ZINC000257291366 379196021 /nfs/dbraw/zinc/19/60/21/379196021.db2.gz QGQGYUDXFPOCOD-JTQLQIEISA-N -1 1 337.361 -0.183 40 0 EBABMM CS(=O)(=O)c1c[n-]nc1[C@@H]1COCCN1C(=O)c1ccncn1 ZINC000257291366 379196024 /nfs/dbraw/zinc/19/60/24/379196024.db2.gz QGQGYUDXFPOCOD-JTQLQIEISA-N -1 1 337.361 -0.183 40 0 EBABMM CS(=O)(=O)c1c[n-]nc1[C@@H]1CCN(S(=O)(=O)c2cn[nH]c2)C1 ZINC000257241123 244244717 /nfs/dbraw/zinc/24/47/17/244244717.db2.gz HWRPOEQPKPKLTH-MRVPVSSYSA-N -1 1 345.406 -0.286 40 0 EBABMM CS(=O)(=O)c1cn[n-]c1[C@@H]1CCN(S(=O)(=O)c2cn[nH]c2)C1 ZINC000257241123 244244723 /nfs/dbraw/zinc/24/47/23/244244723.db2.gz HWRPOEQPKPKLTH-MRVPVSSYSA-N -1 1 345.406 -0.286 40 0 EBABMM CNC(=O)NC(=O)CSc1nc(C)c(CCC(=O)OC)c(=O)[n-]1 ZINC000223809529 419248214 /nfs/dbraw/zinc/24/82/14/419248214.db2.gz ZVAGHLIEGXSVMH-UHFFFAOYSA-N -1 1 342.377 -0.268 40 0 EBABMM Cc1cc(=O)[n-]c([C@H]2CN(S(=O)(=O)N3CCOCC3)CCO2)n1 ZINC000257321675 419302253 /nfs/dbraw/zinc/30/22/53/419302253.db2.gz WCSDSSNOGVZZBC-LLVKDONJSA-N -1 1 344.393 -0.559 40 0 EBABMM O=C(N1CCOCC1)N1CCc2nc(N3CCOCC3)[n-]c(=O)c2C1 ZINC000012113728 375959134 /nfs/dbraw/zinc/95/91/34/375959134.db2.gz KNZLGSSIHIFXKE-UHFFFAOYSA-N -1 1 349.391 -0.583 40 0 EBABMM Cn1ccc(C(=O)N2CCOC[C@@H]2c2[n-]ncc2S(C)(=O)=O)n1 ZINC000257219339 379192751 /nfs/dbraw/zinc/19/27/51/379192751.db2.gz DGLNWKARBKTZLK-SNVBAGLBSA-N -1 1 339.377 -0.240 40 0 EBABMM Cn1ccc(C(=O)N2CCOC[C@@H]2c2n[n-]cc2S(C)(=O)=O)n1 ZINC000257219339 379192756 /nfs/dbraw/zinc/19/27/56/379192756.db2.gz DGLNWKARBKTZLK-SNVBAGLBSA-N -1 1 339.377 -0.240 40 0 EBABMM CS(=O)(=O)c1cn[n-]c1[C@H]1COCCN1C(=O)c1ccnnc1 ZINC000257269894 379194925 /nfs/dbraw/zinc/19/49/25/379194925.db2.gz MRVVDRHRLHTPGL-SNVBAGLBSA-N -1 1 337.361 -0.183 40 0 EBABMM CS(=O)(=O)c1c[n-]nc1[C@H]1COCCN1C(=O)c1ccnnc1 ZINC000257269894 379194933 /nfs/dbraw/zinc/19/49/33/379194933.db2.gz MRVVDRHRLHTPGL-SNVBAGLBSA-N -1 1 337.361 -0.183 40 0 EBABMM CS(=O)(=O)c1cn[n-]c1[C@@H]1COCCN1C(=O)c1ccnnc1 ZINC000257269893 379194944 /nfs/dbraw/zinc/19/49/44/379194944.db2.gz MRVVDRHRLHTPGL-JTQLQIEISA-N -1 1 337.361 -0.183 40 0 EBABMM CS(=O)(=O)c1c[n-]nc1[C@@H]1COCCN1C(=O)c1ccnnc1 ZINC000257269893 379194951 /nfs/dbraw/zinc/19/49/51/379194951.db2.gz MRVVDRHRLHTPGL-JTQLQIEISA-N -1 1 337.361 -0.183 40 0 EBABMM Cc1cc(=O)[n-]c([C@H]2CN(S(=O)(=O)c3cn(C)cn3)CCO2)n1 ZINC000257321881 419302051 /nfs/dbraw/zinc/30/20/51/419302051.db2.gz WDQWIGMOVPYLKZ-SNVBAGLBSA-N -1 1 339.377 -0.014 40 0 EBABMM CS(=O)(=O)NC[C@H]1OC[C@@H](NCc2ccc(C(=O)[O-])cc2)[C@@H]1O ZINC000077264549 381191969 /nfs/dbraw/zinc/19/19/69/381191969.db2.gz XDUGBQXEKFVXLR-UPJWGTAASA-N -1 1 344.389 -0.848 40 0 biogenic,in-vitro EBABMM CS(=O)(=O)c1c[n-]nc1[C@H]1CCN(S(=O)(=O)N2CCCC2)C1 ZINC000257315235 419302225 /nfs/dbraw/zinc/30/22/25/419302225.db2.gz VALWATROQPLLMO-JTQLQIEISA-N -1 1 348.450 -0.057 40 0 EBABMM CS(=O)(=O)c1cn[n-]c1[C@H]1CCN(S(=O)(=O)N2CCCC2)C1 ZINC000257315235 419302226 /nfs/dbraw/zinc/30/22/26/419302226.db2.gz VALWATROQPLLMO-JTQLQIEISA-N -1 1 348.450 -0.057 40 0 EBABMM CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](N)[C@@H](C)O)C(C)C)C(=O)[O-] ZINC000005462395 279187301 /nfs/dbraw/zinc/18/73/01/279187301.db2.gz BKVICMPZWRNWOC-KXNHARMFSA-N -1 1 331.413 -0.549 40 0 EBABMM COCC(=O)NC[C@H]1OC[C@@H](NCc2ccc(C(=O)[O-])cc2)[C@@H]1O ZINC000077264138 216859232 /nfs/dbraw/zinc/85/92/32/216859232.db2.gz CMMDEPOBXZPOQH-NFAWXSAZSA-N -1 1 338.360 -0.635 40 0 biogenic,in-vitro EBABMM CCOC(=O)C1=C[C@](C)(C(=O)OCC)Nc2c(nc(N)[n-]c2=O)N1 ZINC000008665366 375950171 /nfs/dbraw/zinc/95/01/71/375950171.db2.gz VXNZPAGSGBYICC-CQSZACIVSA-N -1 1 337.336 -0.042 40 0 EBABMM CC(C)C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](N)[C@@H](C)O)C(C)C)C(=O)[O-] ZINC000005462404 278999160 /nfs/dbraw/zinc/99/91/60/278999160.db2.gz BKVICMPZWRNWOC-KKOKHZNYSA-N -1 1 331.413 -0.549 40 0 EBABMM O=c1[nH]cc(S(=O)(=O)[N-]Cc2ccc3c(c2)OCO3)c(=O)[nH]1 ZINC000004479999 210198182 /nfs/dbraw/zinc/19/81/82/210198182.db2.gz SVLUNIAROJDWFF-UHFFFAOYSA-N -1 1 325.302 -0.730 40 0 EBABMM CCOC(=O)c1nc2nc(CSc3nnnn3C)cc(=O)n2[n-]1 ZINC000010157036 377430501 /nfs/dbraw/zinc/43/05/01/377430501.db2.gz YABSKOHSTZTHPF-UHFFFAOYSA-N -1 1 336.337 -0.590 40 0 EBABMM CS(=O)(=O)c1cn[n-]c1[C@H]1COCCN1C(=O)c1cccnn1 ZINC000257330548 379200819 /nfs/dbraw/zinc/20/08/19/379200819.db2.gz XOWKLFMNIYOTDV-SNVBAGLBSA-N -1 1 337.361 -0.183 40 0 EBABMM CS(=O)(=O)c1c[n-]nc1[C@H]1COCCN1C(=O)c1cccnn1 ZINC000257330548 379200824 /nfs/dbraw/zinc/20/08/24/379200824.db2.gz XOWKLFMNIYOTDV-SNVBAGLBSA-N -1 1 337.361 -0.183 40 0 EBABMM O=S(=O)([O-])CCN1CCCC[N@@H+](CCS(=O)(=O)[O-])CC1 ZINC000071404929 376165169 /nfs/dbraw/zinc/16/51/69/376165169.db2.gz YTIXDACMIZNTBI-UHFFFAOYSA-N -1 1 330.428 -0.840 40 0 EBABMM Cn1cc(C(=O)N2CCOC[C@@H]2c2[n-]ncc2S(C)(=O)=O)cn1 ZINC000257269625 379195075 /nfs/dbraw/zinc/19/50/75/379195075.db2.gz MQSLHPXSNLSLRL-SNVBAGLBSA-N -1 1 339.377 -0.240 40 0 EBABMM Cn1cc(C(=O)N2CCOC[C@@H]2c2n[n-]cc2S(C)(=O)=O)cn1 ZINC000257269625 379195084 /nfs/dbraw/zinc/19/50/84/379195084.db2.gz MQSLHPXSNLSLRL-SNVBAGLBSA-N -1 1 339.377 -0.240 40 0 EBABMM Cn1ccnc1C(=O)N1CCOC[C@H]1c1[n-]ncc1S(C)(=O)=O ZINC000257310298 379197979 /nfs/dbraw/zinc/19/79/79/379197979.db2.gz UENQSLWIWSYRAX-VIFPVBQESA-N -1 1 339.377 -0.240 40 0 EBABMM Cn1ccnc1C(=O)N1CCOC[C@H]1c1n[n-]cc1S(C)(=O)=O ZINC000257310298 379197986 /nfs/dbraw/zinc/19/79/86/379197986.db2.gz UENQSLWIWSYRAX-VIFPVBQESA-N -1 1 339.377 -0.240 40 0 EBABMM