smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[C@H](C(=O)NC1CC[NH+](C)CC1)N(C)C ZINC000161290348 323075906 /nfs/dbraw/zinc/07/59/06/323075906.db2.gz DUMPNHZDVAMPNK-GFCCVEGCSA-N 0 3 241.379 0.927 10 70 BCIEHN CCC[C@H](C(=O)NC1CCN(C)CC1)N(C)C ZINC000161290348 323075907 /nfs/dbraw/zinc/07/59/07/323075907.db2.gz DUMPNHZDVAMPNK-GFCCVEGCSA-N 0 3 241.379 0.927 10 70 BCIEHN CC(C)CCO[C@H]1CCN(C(=O)CN)C1 ZINC000160812420 386185798 /nfs/dbraw/zinc/18/57/98/386185798.db2.gz SNHIGGFCGDZHEL-JTQLQIEISA-N 0 3 214.309 0.609 10 70 BCIEHN C[C@H]1C[C@H]1CNC(=O)C1(N)CCOCC1 ZINC000159666165 361279375 /nfs/dbraw/zinc/27/93/75/361279375.db2.gz JEUWEDZNOOIZJO-IUCAKERBSA-N 0 3 212.293 0.267 10 70 BCIEHN CC[C@@H](O)CN1CCN(C[C@@](C)(O)CC)CC1 ZINC000161296190 384962293 /nfs/dbraw/zinc/96/22/93/384962293.db2.gz PZHKDKFWNKTMIA-OLZOCXBDSA-N 0 3 244.379 0.536 10 70 BCIEHN CCC[C@@H](C(=O)NC1CCN(C)CC1)N(C)C ZINC000161290213 387180792 /nfs/dbraw/zinc/18/07/92/387180792.db2.gz DUMPNHZDVAMPNK-LBPRGKRZSA-N 0 3 241.379 0.927 10 70 BCIEHN CCC[C@@H](O)CNCc1cnn(C)c1C ZINC000160146240 388047452 /nfs/dbraw/zinc/04/74/52/388047452.db2.gz XQVZMBOLJMNSGK-LLVKDONJSA-N 0 3 211.309 0.979 10 70 BCIEHN CCC[C@@H](C(=O)NCCCOC)N(C)C ZINC000161163250 323149566 /nfs/dbraw/zinc/14/95/66/323149566.db2.gz ICIAYPAPTJYNQN-JTQLQIEISA-N 0 3 216.325 0.869 10 70 BCIEHN CC[C@@H](O)CN1CCN(C[C@](C)(O)CC)CC1 ZINC000161295990 384961630 /nfs/dbraw/zinc/96/16/30/384961630.db2.gz PZHKDKFWNKTMIA-CHWSQXEVSA-N 0 3 244.379 0.536 10 70 BCIEHN CC1(C)CC[C@@H](Cn2cc(CN)nn2)O1 ZINC000159603504 385988925 /nfs/dbraw/zinc/98/89/25/385988925.db2.gz UPPQXUOQOPMDIA-VIFPVBQESA-N 0 3 210.281 0.694 10 70 BCIEHN CC(C)CCO[C@@H]1CCN(C(=O)[C@H](C)N)C1 ZINC000160812142 386184105 /nfs/dbraw/zinc/18/41/05/386184105.db2.gz HTQGVDVDNZMOJB-WDEREUQCSA-N 0 3 228.336 0.997 10 70 BCIEHN CCC[C@@H](C(=O)NCCOC)N(C)C ZINC000161132725 323148839 /nfs/dbraw/zinc/14/88/39/323148839.db2.gz XNOCWJODARJPQM-VIFPVBQESA-N 0 3 202.298 0.479 10 70 BCIEHN CO[C@@H](C)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000160596634 357108359 /nfs/dbraw/zinc/10/83/59/357108359.db2.gz WZYFZMYHUGTQLI-DTWKUNHWSA-N 0 3 200.282 0.184 10 70 BCIEHN CN(C)[C@H]1CCN(C(=O)N[C@@H]2CCOC2)C1 ZINC000159548302 388020542 /nfs/dbraw/zinc/02/05/42/388020542.db2.gz BWCBEAOOGCAEBC-ZJUUUORDSA-N 0 3 227.308 0.121 10 70 BCIEHN CN(C)[C@@H]1CCN(C(=O)N[C@H]2CCOC2)C1 ZINC000159548451 388020564 /nfs/dbraw/zinc/02/05/64/388020564.db2.gz BWCBEAOOGCAEBC-VHSXEESVSA-N 0 3 227.308 0.121 10 70 BCIEHN CCC[C@H](C(=O)NCCCC(=O)OC)N(C)C ZINC000161298613 323493579 /nfs/dbraw/zinc/49/35/79/323493579.db2.gz RZSSBKUSUFXZLF-SNVBAGLBSA-N 0 3 244.335 0.786 10 70 BCIEHN CCC[C@@H](C(=O)N1CC[C@H](O)C1)N(C)C ZINC000159566011 345442431 /nfs/dbraw/zinc/44/24/31/345442431.db2.gz GUKBBJTZGSZGFC-UWVGGRQHSA-N 0 3 214.309 0.310 10 70 BCIEHN Cn1cnnc1CN1CCC(c2ccn[nH]2)CC1 ZINC000160901199 359003302 /nfs/dbraw/zinc/00/33/02/359003302.db2.gz UNNZDHATSHRJQC-UHFFFAOYSA-N 0 3 246.318 0.918 10 70 BCIEHN CCC[C@@H](N)C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000217720272 169391465 /nfs/dbraw/zinc/39/14/65/169391465.db2.gz JWKFYPYHMMHFJY-IVZWLZJFSA-N 0 3 214.309 0.534 10 70 BCIEHN CC[C@H](CO)N1CCN(C[C@@](C)(O)CC)CC1 ZINC000161303215 384479290 /nfs/dbraw/zinc/47/92/90/384479290.db2.gz MRFBBBVICKURLR-OLZOCXBDSA-N 0 3 244.379 0.536 10 70 BCIEHN CCC[C@@H](C(=O)NCCCC(=O)OC)N(C)C ZINC000161298528 387185678 /nfs/dbraw/zinc/18/56/78/387185678.db2.gz RZSSBKUSUFXZLF-JTQLQIEISA-N 0 3 244.335 0.786 10 70 BCIEHN Cc1c(CNC(C)(C)[C@H](C)O)cnn1C ZINC000160603840 388078966 /nfs/dbraw/zinc/07/89/66/388078966.db2.gz LRYYUXUTOJBEFK-VIFPVBQESA-N 0 3 211.309 0.978 10 70 BCIEHN CCN(CCNC(=O)n1ccnc1)C1CC1 ZINC000218604162 592167717 /nfs/dbraw/zinc/16/77/17/592167717.db2.gz JOPWACFVVKZKHY-UHFFFAOYSA-N 0 3 222.292 0.925 10 70 BCIEHN CC[C@@H](CO)N1CCN(C[C@@](C)(O)CC)CC1 ZINC000161303084 384964491 /nfs/dbraw/zinc/96/44/91/384964491.db2.gz MRFBBBVICKURLR-STQMWFEESA-N 0 3 244.379 0.536 10 70 BCIEHN Cc1c(CNC(C)(C)[C@@H](C)O)cnn1C ZINC000160603670 388078379 /nfs/dbraw/zinc/07/83/79/388078379.db2.gz LRYYUXUTOJBEFK-SECBINFHSA-N 0 3 211.309 0.978 10 70 BCIEHN CC[C@@H](C)[C@H](N)C(=O)N[C@H](CC)CCO ZINC000217922967 134250840 /nfs/dbraw/zinc/25/08/40/134250840.db2.gz OWQLVYIBSZWXLE-BBBLOLIVSA-N 0 3 216.325 0.637 10 70 BCIEHN O=C(N[C@@H]1CCOC1)N1CCN2CCC[C@@H]2C1 ZINC000159454678 397947538 /nfs/dbraw/zinc/94/75/38/397947538.db2.gz MGLQNGIIQRBSGV-GHMZBOCLSA-N 0 3 239.319 0.265 10 70 BCIEHN CCC[C@H](C(=O)NCCCOC)N(C)C ZINC000161163378 323149660 /nfs/dbraw/zinc/14/96/60/323149660.db2.gz ICIAYPAPTJYNQN-SNVBAGLBSA-N 0 3 216.325 0.869 10 70 BCIEHN CCC[C@H](C(=O)N1CC[C@H](O)C1)N(C)C ZINC000159566156 345442850 /nfs/dbraw/zinc/44/28/50/345442850.db2.gz GUKBBJTZGSZGFC-VHSXEESVSA-N 0 3 214.309 0.310 10 70 BCIEHN C[C@@H]1C[C@@H]1CNC(=O)C1(N)CCOCC1 ZINC000159665795 361279787 /nfs/dbraw/zinc/27/97/87/361279787.db2.gz JEUWEDZNOOIZJO-RKDXNWHRSA-N 0 3 212.293 0.267 10 70 BCIEHN CCC[C@H](C(=O)N1CCOCC1)N(C)C ZINC000161152441 323149290 /nfs/dbraw/zinc/14/92/90/323149290.db2.gz GWFMFMLXTCAZSZ-SNVBAGLBSA-N 0 3 214.309 0.576 10 70 BCIEHN CSCCNC(=O)[C@]1(C)CCCCN1 ZINC000159557632 350893068 /nfs/dbraw/zinc/89/30/68/350893068.db2.gz ZIOWYFFEKLVXKB-JTQLQIEISA-N 0 3 216.350 0.998 10 70 BCIEHN Cc1nn(C)cc1CNC1=NCCS1 ZINC000160258071 355761520 /nfs/dbraw/zinc/76/15/20/355761520.db2.gz PADNICGIGJEOHB-UHFFFAOYSA-N 0 3 210.306 0.921 10 70 BCIEHN Cc1c(CNC[C@H](O)C(C)C)cnn1C ZINC000160147546 384641083 /nfs/dbraw/zinc/64/10/83/384641083.db2.gz MNEOCFCLZOJQCO-NSHDSACASA-N 0 3 211.309 0.835 10 70 BCIEHN CC[C@H](CO)N1CCN(C[C@](C)(O)CC)CC1 ZINC000161302960 384964829 /nfs/dbraw/zinc/96/48/29/384964829.db2.gz MRFBBBVICKURLR-CHWSQXEVSA-N 0 3 244.379 0.536 10 70 BCIEHN CC[C@H](O)CN1CCN(C[C@@](C)(O)CC)CC1 ZINC000161296090 384962682 /nfs/dbraw/zinc/96/26/82/384962682.db2.gz PZHKDKFWNKTMIA-STQMWFEESA-N 0 3 244.379 0.536 10 70 BCIEHN CC(C)CCO[C@@H]1CCN(C(=O)CN)C1 ZINC000160812273 388091886 /nfs/dbraw/zinc/09/18/86/388091886.db2.gz SNHIGGFCGDZHEL-SNVBAGLBSA-N 0 3 214.309 0.609 10 70 BCIEHN COC[C@H](C)NC(=O)[C@]1(C)CCCCN1 ZINC000159554977 488057919 /nfs/dbraw/zinc/05/79/19/488057919.db2.gz DMAGUKDXWPDNTE-ONGXEEELSA-N 0 3 214.309 0.670 10 70 BCIEHN CO[C@H](C)C(=O)N1CC[C@H](N(C)C)C1 ZINC000160596529 357108227 /nfs/dbraw/zinc/10/82/27/357108227.db2.gz WZYFZMYHUGTQLI-BDAKNGLRSA-N 0 3 200.282 0.184 10 70 BCIEHN O=C(N[C@@H]1CCOC1)N1CCN2CCC[C@H]2C1 ZINC000159454810 385988726 /nfs/dbraw/zinc/98/87/26/385988726.db2.gz MGLQNGIIQRBSGV-MNOVXSKESA-N 0 3 239.319 0.265 10 70 BCIEHN CCC[C@H](C(=O)NCCC(=O)OC)N(C)C ZINC000161441449 387211474 /nfs/dbraw/zinc/21/14/74/387211474.db2.gz MWGQHULRVKCARF-SECBINFHSA-N 0 3 230.308 0.396 10 70 BCIEHN COC[C@H](C)NC(=O)[C@@]1(C)CCCCN1 ZINC000159555216 488058055 /nfs/dbraw/zinc/05/80/55/488058055.db2.gz DMAGUKDXWPDNTE-GXSJLCMTSA-N 0 3 214.309 0.670 10 70 BCIEHN CC(C)S(=O)(=O)CCN1CCC[C@H]1CN ZINC000216877833 535094727 /nfs/dbraw/zinc/09/47/27/535094727.db2.gz OEUKTAIHJZHCOA-JTQLQIEISA-N 0 3 234.365 0.233 10 70 BCIEHN O=S(=O)(/C=C\c1ccccc1)NC1CNC1 ZINC000218257715 592153138 /nfs/dbraw/zinc/15/31/38/592153138.db2.gz BTXAMRQUGYRKHF-SREVYHEPSA-N 0 3 238.312 0.549 10 70 BCIEHN CCC[C@H](C(=O)NCC(=O)OC)N(C)C ZINC000161437280 387211423 /nfs/dbraw/zinc/21/14/23/387211423.db2.gz XQIKKEHIOTYPJC-MRVPVSSYSA-N 0 3 216.281 0.006 10 70 BCIEHN C[C@H](CNC(=O)n1ccnc1)N(C)C1CC1 ZINC000218605327 592167967 /nfs/dbraw/zinc/16/79/67/592167967.db2.gz ZUVWEJSRIGUHHJ-SECBINFHSA-N 0 3 222.292 0.924 10 70 BCIEHN CO[C@@H](C)C(=O)N1CC[C@H](N(C)C)C1 ZINC000160596439 357107288 /nfs/dbraw/zinc/10/72/88/357107288.db2.gz WZYFZMYHUGTQLI-IUCAKERBSA-N 0 3 200.282 0.184 10 70 BCIEHN CO[C@H](C)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000160596735 357108283 /nfs/dbraw/zinc/10/82/83/357108283.db2.gz WZYFZMYHUGTQLI-RKDXNWHRSA-N 0 3 200.282 0.184 10 70 BCIEHN CSC[C@@H](C)NC(=O)C1(N)CCOCC1 ZINC000159672486 361281001 /nfs/dbraw/zinc/28/10/01/361281001.db2.gz ABGSXSNPKBPCDH-MRVPVSSYSA-N 0 3 232.349 0.362 10 70 BCIEHN CCC[C@H](O)CNCc1cnn(C)c1C ZINC000160146099 169518347 /nfs/dbraw/zinc/51/83/47/169518347.db2.gz XQVZMBOLJMNSGK-NSHDSACASA-N 0 3 211.309 0.979 10 70 BCIEHN CCNC(=O)CN(CC)C[C@@](C)(O)CC ZINC000160425941 386576017 /nfs/dbraw/zinc/57/60/17/386576017.db2.gz DVDCNWIKMPKPES-NSHDSACASA-N 0 3 216.325 0.605 10 70 BCIEHN CN(C)[C@H]1CCN(C(=O)N[C@H]2CCOC2)C1 ZINC000159548599 388020473 /nfs/dbraw/zinc/02/04/73/388020473.db2.gz BWCBEAOOGCAEBC-UWVGGRQHSA-N 0 3 227.308 0.121 10 70 BCIEHN CN(C)[C@@H]1CCN(C(=O)N[C@@H]2CCOC2)C1 ZINC000159548172 388020491 /nfs/dbraw/zinc/02/04/91/388020491.db2.gz BWCBEAOOGCAEBC-NXEZZACHSA-N 0 3 227.308 0.121 10 70 BCIEHN COC(CN1CC[C@@H](c2cnn(C)c2)C1)OC ZINC000161142346 173959933 /nfs/dbraw/zinc/95/99/33/173959933.db2.gz SKQMRVQONSAWSI-SNVBAGLBSA-N 0 3 239.319 0.828 10 70 BCIEHN CCC[C@@H](C(=O)N1CCOCC1)N(C)C ZINC000161152320 323149287 /nfs/dbraw/zinc/14/92/87/323149287.db2.gz GWFMFMLXTCAZSZ-JTQLQIEISA-N 0 3 214.309 0.576 10 70 BCIEHN C[C@H]1C[C@@H]1CNC(=O)C1(N)CCOCC1 ZINC000159665904 384347049 /nfs/dbraw/zinc/34/70/49/384347049.db2.gz JEUWEDZNOOIZJO-DTWKUNHWSA-N 0 3 212.293 0.267 10 70 BCIEHN CC[C@@H](CO)N1CCN(C[C@](C)(O)CC)CC1 ZINC000161302826 384965141 /nfs/dbraw/zinc/96/51/41/384965141.db2.gz MRFBBBVICKURLR-QWHCGFSZSA-N 0 3 244.379 0.536 10 70 BCIEHN CC(C)CCO[C@H]1CCN(C(=O)[C@H](C)N)C1 ZINC000160812000 386184147 /nfs/dbraw/zinc/18/41/47/386184147.db2.gz HTQGVDVDNZMOJB-QWRGUYRKSA-N 0 3 228.336 0.997 10 70 BCIEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cn[nH]c2)C1 ZINC000161097388 167026914 /nfs/dbraw/zinc/02/69/14/167026914.db2.gz HFGSDFSLRMUJFQ-KOLCDFICSA-N 0 3 236.319 0.868 10 70 BCIEHN CC(C)N1C[C@H](NC(=O)c2cn[nH]c2)[C@@H](C)C1 ZINC000161097509 167033461 /nfs/dbraw/zinc/03/34/61/167033461.db2.gz HFGSDFSLRMUJFQ-ONGXEEELSA-N 0 3 236.319 0.868 10 70 BCIEHN CCC[C@H](C(=O)N[C@H]1CCC[C@@H]1O)N(C)C ZINC000159920178 353305815 /nfs/dbraw/zinc/30/58/15/353305815.db2.gz DJWCSWSCVYORPB-AXFHLTTASA-N 0 3 228.336 0.746 10 70 BCIEHN CC1CC(NC(=O)C2(N)CCOCC2)C1 ZINC000159670305 361279764 /nfs/dbraw/zinc/27/97/64/361279764.db2.gz FGLWEXLYTBGZBS-UHFFFAOYSA-N 0 3 212.293 0.409 10 70 BCIEHN COC(CN1CC[C@H](c2cnn(C)c2)C1)OC ZINC000161142459 384467800 /nfs/dbraw/zinc/46/78/00/384467800.db2.gz SKQMRVQONSAWSI-JTQLQIEISA-N 0 3 239.319 0.828 10 70 BCIEHN CSC[C@H](C)NC(=O)C1(N)CCOCC1 ZINC000159672383 388026024 /nfs/dbraw/zinc/02/60/24/388026024.db2.gz ABGSXSNPKBPCDH-QMMMGPOBSA-N 0 3 232.349 0.362 10 70 BCIEHN CSCCNC(=O)[C@@]1(C)CCCCN1 ZINC000159557476 350892847 /nfs/dbraw/zinc/89/28/47/350892847.db2.gz ZIOWYFFEKLVXKB-SNVBAGLBSA-N 0 3 216.350 0.998 10 70 BCIEHN C[C@@H]1C[C@H]1CNC(=O)C1(N)CCOCC1 ZINC000159666036 361279437 /nfs/dbraw/zinc/27/94/37/361279437.db2.gz JEUWEDZNOOIZJO-BDAKNGLRSA-N 0 3 212.293 0.267 10 70 BCIEHN CN(C(=O)C1(N)CCOCC1)C1CCC1 ZINC000159669717 361279834 /nfs/dbraw/zinc/27/98/34/361279834.db2.gz BWTBBNXCOXAWLJ-UHFFFAOYSA-N 0 3 212.293 0.505 10 70 BCIEHN CCC[C@@H](C(=O)NCC(=O)OC)N(C)C ZINC000161437144 323075974 /nfs/dbraw/zinc/07/59/74/323075974.db2.gz XQIKKEHIOTYPJC-QMMMGPOBSA-N 0 3 216.281 0.006 10 70 BCIEHN CCC[C@H](C(=O)NCCOC)N(C)C ZINC000161132849 323148817 /nfs/dbraw/zinc/14/88/17/323148817.db2.gz XNOCWJODARJPQM-SECBINFHSA-N 0 3 202.298 0.479 10 70 BCIEHN Cc1c(CN[C@H](C)CC(N)=O)cnn1C ZINC000160797610 361328921 /nfs/dbraw/zinc/32/89/21/361328921.db2.gz HRSPTCMFNMOOQM-SSDOTTSWSA-N 0 3 210.281 0.082 10 70 BCIEHN Cc1c(CN[C@@H](C)CC(N)=O)cnn1C ZINC000160797503 361328585 /nfs/dbraw/zinc/32/85/85/361328585.db2.gz HRSPTCMFNMOOQM-ZETCQYMHSA-N 0 3 210.281 0.082 10 70 BCIEHN CCC[C@@H](N)C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000217720099 169391084 /nfs/dbraw/zinc/39/10/84/169391084.db2.gz JWKFYPYHMMHFJY-OPRDCNLKSA-N 0 3 214.309 0.534 10 70 BCIEHN CCNC(=O)CN(CC)C[C@](C)(O)CC ZINC000160426079 386575615 /nfs/dbraw/zinc/57/56/15/386575615.db2.gz DVDCNWIKMPKPES-LLVKDONJSA-N 0 3 216.325 0.605 10 70 BCIEHN CCC[C@@H](C(=O)NCCC(=O)OC)N(C)C ZINC000161441305 387212636 /nfs/dbraw/zinc/21/26/36/387212636.db2.gz MWGQHULRVKCARF-VIFPVBQESA-N 0 3 230.308 0.396 10 70 BCIEHN Cc1c(CNC(C)(C)CCO)cnn1C ZINC000160158787 388050051 /nfs/dbraw/zinc/05/00/51/388050051.db2.gz GYOLPEAAOWOKMA-UHFFFAOYSA-N 0 3 211.309 0.979 10 70 BCIEHN CCC[C@H](N)C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000217824999 134250680 /nfs/dbraw/zinc/25/06/80/134250680.db2.gz IBOJBRYZJLGYLR-GUBZILKMSA-N 0 3 214.309 0.750 10 70 BCIEHN CC(C)S(=O)(=O)CCN1CCC[C@@H]1CN ZINC000216877789 535093856 /nfs/dbraw/zinc/09/38/56/535093856.db2.gz OEUKTAIHJZHCOA-SNVBAGLBSA-N 0 3 234.365 0.233 10 70 BCIEHN CC[C@H](O)CN1CCN(C[C@](C)(O)CC)CC1 ZINC000161295902 384962260 /nfs/dbraw/zinc/96/22/60/384962260.db2.gz PZHKDKFWNKTMIA-QWHCGFSZSA-N 0 3 244.379 0.536 10 70 BCIEHN CC1(C)CC[C@H](Cn2cc(CN)nn2)O1 ZINC000159603342 385988618 /nfs/dbraw/zinc/98/86/18/385988618.db2.gz UPPQXUOQOPMDIA-SECBINFHSA-N 0 3 210.281 0.694 10 70 BCIEHN Cc1c(CNC[C@@H](O)C(C)C)cnn1C ZINC000160147655 388047271 /nfs/dbraw/zinc/04/72/71/388047271.db2.gz MNEOCFCLZOJQCO-LLVKDONJSA-N 0 3 211.309 0.835 10 70 BCIEHN CCn1cccc1N1C[C@@H](CN)OC1=O ZINC000216701744 172210805 /nfs/dbraw/zinc/21/08/05/172210805.db2.gz RFDCDXRMLQTRST-MRVPVSSYSA-N 0 3 209.249 0.792 10 70 BCIEHN CN(C)C(=O)[C@H]1CCCN1CCn1ccnc1 ZINC000159732803 172386152 /nfs/dbraw/zinc/38/61/52/172386152.db2.gz BPZXXJURBMUGKJ-LLVKDONJSA-N 0 3 236.319 0.436 10 70 BCIEHN CC(C)CN1CCC[C@@H]1CNS(C)(=O)=O ZINC000160281123 323075369 /nfs/dbraw/zinc/07/53/69/323075369.db2.gz UGTSYEPAMFLKFT-SNVBAGLBSA-N 0 3 234.365 0.656 10 70 BCIEHN C[C@@H](CNC(=O)n1ccnc1)N(C)C1CC1 ZINC000218605263 592167682 /nfs/dbraw/zinc/16/76/82/592167682.db2.gz ZUVWEJSRIGUHHJ-VIFPVBQESA-N 0 3 222.292 0.924 10 70 BCIEHN