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)N1CCCN(C[C@H](C)CO)CC1 ZINC000160904986 538913262 /nfs/dbraw/zinc/91/32/62/538913262.db2.gz FXVDTUNWRJRIFW-JTQLQIEISA-N 0 3 214.309 0.169 20 70 BCIDHN CCOCCNC(=O)N1CCCN(CC)CC1 ZINC000159592491 345445318 /nfs/dbraw/zinc/44/53/18/345445318.db2.gz LXZCTISLVFIMQJ-UHFFFAOYSA-N 0 3 243.351 0.760 20 70 BCIDHN CC(C)C[C@H](N)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000159618470 345448587 /nfs/dbraw/zinc/44/85/87/345448587.db2.gz YTZZDIZXNLVLTH-TUAOUCFPSA-N 0 3 239.363 0.713 20 70 BCIDHN CC[C@@H](N)C(=O)N(C)CCC1CCOCC1 ZINC000161403472 345603413 /nfs/dbraw/zinc/60/34/13/345603413.db2.gz RBRJHVKELAMZLQ-LLVKDONJSA-N 0 3 228.336 0.999 20 70 BCIDHN COCC(C)(C)C(=O)NC1CCN(C)CC1 ZINC000160246606 346358631 /nfs/dbraw/zinc/35/86/31/346358631.db2.gz SXZHMPWDOCQITI-UHFFFAOYSA-N 0 3 228.336 0.869 20 70 BCIDHN CCOC(=O)C[C@H](C)NC(=O)CN(C)C(C)C ZINC000160872676 349333855 /nfs/dbraw/zinc/33/38/55/349333855.db2.gz QYPYFJRVTWNLIO-JTQLQIEISA-N 0 3 244.335 0.785 20 70 BCIDHN CSCC[C@@H](N)C(=O)NCC[C@H](O)C(C)C ZINC000160899347 349336453 /nfs/dbraw/zinc/33/64/53/349336453.db2.gz IAGQKMSOXULHGX-ZJUUUORDSA-N 0 3 248.392 0.590 20 70 BCIDHN CCC[C@H](N)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160741372 349315686 /nfs/dbraw/zinc/31/56/86/349315686.db2.gz IYKOJWYUIHHOEN-AXFHLTTASA-N 0 3 225.336 0.467 20 70 BCIDHN CC[C@@H](O)CCNC(=O)NC1CCN(C)CC1 ZINC000160715010 353269189 /nfs/dbraw/zinc/26/91/89/353269189.db2.gz NRGJYJHYHUIRNX-LLVKDONJSA-N 0 3 243.351 0.541 20 70 BCIDHN CC(C)(O)CCN1CCCC[C@@]1(C)C(N)=O ZINC000160267762 535285397 /nfs/dbraw/zinc/28/53/97/535285397.db2.gz IKICWHLYJKNHPN-LBPRGKRZSA-N 0 3 228.336 0.877 20 70 BCIDHN CC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000217965950 357266042 /nfs/dbraw/zinc/26/60/42/357266042.db2.gz FIRKEMUNTITUET-CQSZACIVSA-N 0 3 248.326 0.760 20 70 BCIDHN NC(=O)[C@@H]1CCN(Cc2cnc3ccccn23)C1 ZINC000159842288 538879583 /nfs/dbraw/zinc/87/95/83/538879583.db2.gz NDWBLLUHIIBCFK-SNVBAGLBSA-N 0 3 244.298 0.642 20 70 BCIDHN CCCO[C@H]1CCCN(C(=O)CN)CC1 ZINC000159470096 361238201 /nfs/dbraw/zinc/23/82/01/361238201.db2.gz LWFBTWUBBWWPPD-JTQLQIEISA-N 0 3 214.309 0.753 20 70 BCIDHN CCOCCNC(=O)[C@@]1(C)CCCCN1 ZINC000159562481 361255352 /nfs/dbraw/zinc/25/53/52/361255352.db2.gz NTFYUPACLWLXJI-LLVKDONJSA-N 0 3 214.309 0.671 20 70 BCIDHN COC(=O)Cc1cccc(NC(=O)[C@H](C)N)c1 ZINC000159642261 384345727 /nfs/dbraw/zinc/34/57/27/384345727.db2.gz FQZYAEGKSJKQQW-QMMMGPOBSA-N 0 3 236.271 0.688 20 70 BCIDHN CN(C)CCN(C)Cc1ccc(CO)o1 ZINC000161322022 384970239 /nfs/dbraw/zinc/97/02/39/384970239.db2.gz VAFYNEUYIAITCW-UHFFFAOYSA-N 0 3 212.293 0.765 20 70 BCIDHN C[C@@H](CNC(=O)c1ccncc1F)N(C)C ZINC000161426731 385034902 /nfs/dbraw/zinc/03/49/02/385034902.db2.gz VQJICZOQWSJQAG-QMMMGPOBSA-N 0 3 225.267 0.901 20 70 BCIDHN CNC(=O)NC(=O)CN1CC[C@@H]2CCCC[C@@H]21 ZINC000159651173 385705271 /nfs/dbraw/zinc/70/52/71/385705271.db2.gz ISZDUSHIDSTQJJ-UWVGGRQHSA-N 0 3 239.319 0.707 20 70 BCIDHN CCC[C@@H](O)CNCc1cn(C)nc1C ZINC000160145704 385967908 /nfs/dbraw/zinc/96/79/08/385967908.db2.gz JVQUJZHGQOYAIE-LLVKDONJSA-N 0 3 211.309 0.979 20 70 BCIDHN C[C@H](O)C[C@H](C)CNC(=O)[C@H]1CCCCN1 ZINC000160567416 386237220 /nfs/dbraw/zinc/23/72/20/386237220.db2.gz RYKUPQFKDGXQPS-GARJFASQSA-N 0 3 228.336 0.652 20 70 BCIDHN C[C@]1(CNC(=O)C2(N)CC2)CCCC[C@@H]1O ZINC000160838020 386270776 /nfs/dbraw/zinc/27/07/76/386270776.db2.gz QCJYGBNVSJMBAA-GXSJLCMTSA-N 0 3 226.320 0.535 20 70 BCIDHN CC[C@H](C(=O)N[C@H]1CCN(C(C)=O)C1)N(C)C ZINC000159492321 386462150 /nfs/dbraw/zinc/46/21/50/386462150.db2.gz KTGIFPRLOKKALK-WDEREUQCSA-N 0 3 241.335 0.064 20 70 BCIDHN C[C@@H](CO)N(C)Cc1ccc(CO)cc1 ZINC000159458356 388014218 /nfs/dbraw/zinc/01/42/18/388014218.db2.gz WUTPBJVUHIQHGT-JTQLQIEISA-N 0 3 209.289 0.992 20 70 BCIDHN CN(C)[C@H]1CCCN(C(=O)N[C@@H]2CCOC2)C1 ZINC000159470785 388016399 /nfs/dbraw/zinc/01/63/99/388016399.db2.gz BVFZSOLKGCATND-MNOVXSKESA-N 0 3 241.335 0.511 20 70 BCIDHN C[C@@H]1COC[C@@H](C)N1C(=O)C[C@@H]1CNCCO1 ZINC000160521041 388072281 /nfs/dbraw/zinc/07/22/81/388072281.db2.gz RMLZSCQDMJJTOM-GMTAPVOTSA-N 0 3 242.319 0.001 20 70 BCIDHN Cn1cnn(CCN2CCCCC2)c1=O ZINC000160745548 388086890 /nfs/dbraw/zinc/08/68/90/388086890.db2.gz OZFLUKPLNZQGSZ-UHFFFAOYSA-N 0 3 210.281 0.068 20 70 BCIDHN C[C@@]1(O)CCCN(CCn2cccn2)C1 ZINC000160999378 388108717 /nfs/dbraw/zinc/10/87/17/388108717.db2.gz CSADOLVBVQPPCA-LLVKDONJSA-N 0 3 209.293 0.730 20 70 BCIDHN CCC(=O)NCC1CCN(CCO)CC1 ZINC000160560656 168228105 /nfs/dbraw/zinc/22/81/05/168228105.db2.gz LHLNZUBPNSJEKK-UHFFFAOYSA-N 0 3 214.309 0.217 20 70 BCIDHN COCCNCCNC(=O)CC1CCC1 ZINC000218223592 134252656 /nfs/dbraw/zinc/25/26/56/134252656.db2.gz FDOKTIGSZFKAHI-UHFFFAOYSA-N 0 3 214.309 0.529 20 70 BCIDHN CCN1CCC[C@H]1CNC(=O)N[C@@H]1CCOC1 ZINC000159444830 411306279 /nfs/dbraw/zinc/30/62/79/411306279.db2.gz FEHLJCCCLHNRAH-MNOVXSKESA-N 0 3 241.335 0.559 20 70 BCIDHN CCOC(=O)[C@H](C)CNC(=O)[C@@H](N)C(C)C ZINC000160802901 170263740 /nfs/dbraw/zinc/26/37/40/170263740.db2.gz NXQXIYPTGYAXRZ-BDAKNGLRSA-N 0 3 230.308 0.285 20 70 BCIDHN CNCC(=O)Nc1cccc(N(C)C(C)=O)c1 ZINC000160332457 173335518 /nfs/dbraw/zinc/33/55/18/173335518.db2.gz RKPZYIXTDKZFQD-UHFFFAOYSA-N 0 3 235.287 0.827 20 70 BCIDHN Cc1n[nH]cc1CN1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000159698058 323044189 /nfs/dbraw/zinc/04/41/89/323044189.db2.gz XAQHRTLUMJDRQX-WPRPVWTQSA-N 0 3 236.319 0.804 20 70 BCIDHN CCOC[C@H]1CCCN(C(=O)[C@@H](N)CC)C1 ZINC000160066722 323059292 /nfs/dbraw/zinc/05/92/92/323059292.db2.gz IBDMPDRMDUKOKN-QWRGUYRKSA-N 0 3 228.336 0.999 20 70 BCIDHN CC[C@H](N)C(=O)Nc1nnc2n(C)[nH]c(C)c1-2 ZINC000160114215 323060918 /nfs/dbraw/zinc/06/09/18/323060918.db2.gz UWRXWIXEGPGLGZ-LURJTMIESA-N 0 3 236.279 0.281 20 70 BCIDHN CC[C@@](C)(O)CN(C)CCN1CCCC1=O ZINC000161093603 323146207 /nfs/dbraw/zinc/14/62/07/323146207.db2.gz ZJCAPZRILWLWNJ-GFCCVEGCSA-N 0 3 228.336 0.702 20 70 BCIDHN CO[C@@H]1CCCC[C@H]1N[C@@H](C)C(N)=O ZINC000218018636 536603517 /nfs/dbraw/zinc/60/35/17/536603517.db2.gz DZXRHLZMFDLEPZ-DJLDLDEBSA-N 0 3 200.282 0.407 20 70 BCIDHN CCC[C@@H](O)CNCCS(=O)(=O)CC ZINC000217875819 592149978 /nfs/dbraw/zinc/14/99/78/592149978.db2.gz NDHHHMAKUVUCDT-SECBINFHSA-N 0 3 223.338 0.172 20 70 BCIDHN CCOC(=O)C[C@H](C)NC(=O)[C@H](CC)N(C)C ZINC000159557655 323036759 /nfs/dbraw/zinc/03/67/59/323036759.db2.gz LZMVSKCDAUWJJH-UWVGGRQHSA-N 0 3 244.335 0.785 20 70 BCIDHN O=C(CNC1CC1)NCC1CCSCC1 ZINC000159618169 343202318 /nfs/dbraw/zinc/20/23/18/343202318.db2.gz ZXYJSRBXEQFDQY-UHFFFAOYSA-N 0 3 228.361 0.998 20 70 BCIDHN COC(=O)[C@@H](C)CN1CCCO[C@@H](C)C1 ZINC000217583861 136277986 /nfs/dbraw/zinc/27/79/86/136277986.db2.gz GZPPMGZAGNHPRK-UWVGGRQHSA-N 0 3 215.293 0.906 20 70 BCIDHN C[C@@H](O)C[C@H](C)CNC(=O)[C@H]1CCCCN1 ZINC000160567153 201722915 /nfs/dbraw/zinc/72/29/15/201722915.db2.gz RYKUPQFKDGXQPS-HBNTYKKESA-N 0 3 228.336 0.652 20 70 BCIDHN CN(CCN1CCCC1)C(=O)N[C@@H]1CCOC1 ZINC000159456436 345434940 /nfs/dbraw/zinc/43/49/40/345434940.db2.gz AGUOBALFNBVMDU-LLVKDONJSA-N 0 3 241.335 0.513 20 70 BCIDHN Cn1nncc1CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159593243 345445292 /nfs/dbraw/zinc/44/52/92/345445292.db2.gz NHFSYUXDJFWDRB-TUAOUCFPSA-N 0 3 248.330 0.862 20 70 BCIDHN CC[C@@H](C)[C@H](O)CNC(=O)[C@@H](N)CCSC ZINC000159817034 345556185 /nfs/dbraw/zinc/55/61/85/345556185.db2.gz ZJCKRIDUGOEVPG-KXUCPTDWSA-N 0 3 248.392 0.590 20 70 BCIDHN CCCC[C@@H](COC)NC(=O)[C@@H](C)N ZINC000161165041 346031589 /nfs/dbraw/zinc/03/15/89/346031589.db2.gz KJOGZEUCAVLDGE-BDAKNGLRSA-N 0 3 202.298 0.655 20 70 BCIDHN CSC[C@@H](C)NC(=O)CNC1CC1 ZINC000159624710 350263032 /nfs/dbraw/zinc/26/30/32/350263032.db2.gz HXRJSGNBVOLUJP-SSDOTTSWSA-N 0 3 202.323 0.606 20 70 BCIDHN CCSCCN1CCC[C@@H]1C(=O)NC ZINC000159555327 350891984 /nfs/dbraw/zinc/89/19/84/350891984.db2.gz NXJGGCVTTDUPOQ-SECBINFHSA-N 0 3 216.350 0.950 20 70 BCIDHN CN(C)C(=O)CN1CCN(c2ccncc2)CC1 ZINC000161315749 538111622 /nfs/dbraw/zinc/11/16/22/538111622.db2.gz XTGNGQFYESRRFT-UHFFFAOYSA-N 0 3 248.330 0.292 20 70 BCIDHN CC(C)CN1CCN(C[C@@H](C)CO)CC1 ZINC000160904755 538456187 /nfs/dbraw/zinc/45/61/87/538456187.db2.gz HPNCBJCREORRDN-GFCCVEGCSA-N 0 3 214.353 0.888 20 70 BCIDHN C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1cncnc1 ZINC000159507885 538877880 /nfs/dbraw/zinc/87/78/80/538877880.db2.gz AYIHJDKBZFXSHL-MWLCHTKSSA-N 0 3 234.303 0.562 20 70 BCIDHN C[C@H](O)CCNC(=O)[C@@]1(C)CCCCN1 ZINC000159564307 361255425 /nfs/dbraw/zinc/25/54/25/361255425.db2.gz OGUROWWFYZHMRN-GXSJLCMTSA-N 0 3 214.309 0.406 20 70 BCIDHN NCC(=O)NC[C@@H]1CCc2ccccc21 ZINC000159727368 181351680 /nfs/dbraw/zinc/35/16/80/181351680.db2.gz KAKCTKQIWIKXAV-JTQLQIEISA-N 0 3 204.273 0.791 20 70 BCIDHN CCCC[C@H](COC)NC(=O)[C@@H](C)N ZINC000161165159 169003065 /nfs/dbraw/zinc/00/30/65/169003065.db2.gz KJOGZEUCAVLDGE-RKDXNWHRSA-N 0 3 202.298 0.655 20 70 BCIDHN C[C@@H](N)C(=O)NCc1ncc(C(C)(C)C)o1 ZINC000160637787 384426996 /nfs/dbraw/zinc/42/69/96/384426996.db2.gz XXMDXMKGYNNANZ-SSDOTTSWSA-N 0 3 225.292 0.936 20 70 BCIDHN C[C@@H](N)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000161106253 385448802 /nfs/dbraw/zinc/44/88/02/385448802.db2.gz IBQVBHJCRMRAIH-XAVMHZPKSA-N 0 3 212.293 0.263 20 70 BCIDHN CC[C@@H](C(=O)N[C@@H]1CCN(C(C)=O)C1)N(C)C ZINC000159491908 386459016 /nfs/dbraw/zinc/45/90/16/386459016.db2.gz KTGIFPRLOKKALK-MNOVXSKESA-N 0 3 241.335 0.064 20 70 BCIDHN Cc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3)n[nH]1 ZINC000160303824 386545427 /nfs/dbraw/zinc/54/54/27/386545427.db2.gz QLZIRHTXWQEYLH-AOOOYVTPSA-N 0 3 234.303 0.685 20 70 BCIDHN CC[C@@H](C)C(=O)NCC1CCN(CCO)CC1 ZINC000160569867 387103724 /nfs/dbraw/zinc/10/37/24/387103724.db2.gz UEGBUQBEMQCRLT-LLVKDONJSA-N 0 3 242.363 0.853 20 70 BCIDHN CC(C)C[C@H]1COCCN1C(=O)[C@H](C)N ZINC000159629282 134783864 /nfs/dbraw/zinc/78/38/64/134783864.db2.gz PTFOPGHVJZZTNE-UWVGGRQHSA-N 0 3 214.309 0.607 20 70 BCIDHN CC[C@@](C)(O)CN1CCCN(C(N)=O)CC1 ZINC000160840022 387964015 /nfs/dbraw/zinc/96/40/15/387964015.db2.gz QHNNSDOAGSHZOD-LLVKDONJSA-N 0 3 229.324 0.234 20 70 BCIDHN CCCC[C@@H](COC)NC(=O)CNC ZINC000159650840 388024996 /nfs/dbraw/zinc/02/49/96/388024996.db2.gz JDTNNNSEHGPIPL-VIFPVBQESA-N 0 3 202.298 0.527 20 70 BCIDHN CCC(CC)[C@H](O)CNC(=O)[C@H](C)N ZINC000159758698 388029173 /nfs/dbraw/zinc/02/91/73/388029173.db2.gz XXCMAIQIBKHFJW-IONNQARKSA-N 0 3 202.298 0.247 20 70 BCIDHN O=C(CN[C@@H]1CCSC1)NCC(F)(F)F ZINC000160529307 388073659 /nfs/dbraw/zinc/07/36/59/388073659.db2.gz NTOZUNXKPLXFDI-ZCFIWIBFSA-N 0 3 242.266 0.760 20 70 BCIDHN CCc1nc(CN[C@@H](COC)C2CC2)n[nH]1 ZINC000160625979 388079394 /nfs/dbraw/zinc/07/93/94/388079394.db2.gz XEIWXIMFROVSBO-VIFPVBQESA-N 0 3 224.308 0.882 20 70 BCIDHN CSCC[C@@H](N)C(=O)N(C)CC[C@@H](C)O ZINC000160923594 388100762 /nfs/dbraw/zinc/10/07/62/388100762.db2.gz AXCVCDRPBBYFFB-RKDXNWHRSA-N 0 3 234.365 0.296 20 70 BCIDHN Cc1c(CN[C@@H](C)[C@@H](C)CO)cnn1C ZINC000160154450 388047407 /nfs/dbraw/zinc/04/74/07/388047407.db2.gz BBHMAZVJHWCFIC-IUCAKERBSA-N 0 3 211.309 0.835 20 70 BCIDHN CSC[C@](C)(O)CNCc1c[nH]nc1C ZINC000217858007 388573251 /nfs/dbraw/zinc/57/32/51/388573251.db2.gz LLVGVDMSBPTDBH-SNVBAGLBSA-N 0 3 229.349 0.922 20 70 BCIDHN CSC[C@@](C)(O)CNCc1c[nH]nc1C ZINC000217857934 388573529 /nfs/dbraw/zinc/57/35/29/388573529.db2.gz LLVGVDMSBPTDBH-JTQLQIEISA-N 0 3 229.349 0.922 20 70 BCIDHN CC[C@H](C)C(=O)NCC1CCN(CCO)CC1 ZINC000160569985 171249960 /nfs/dbraw/zinc/24/99/60/171249960.db2.gz UEGBUQBEMQCRLT-NSHDSACASA-N 0 3 242.363 0.853 20 70 BCIDHN Cn1cncc1CNC[C@@H]1CCCN1C ZINC000218140686 173057384 /nfs/dbraw/zinc/05/73/84/173057384.db2.gz SUIIPSABSFOAQF-JTQLQIEISA-N 0 3 208.309 0.604 20 70 BCIDHN CN1CCC[C@H]1CNCc1ccnn1C ZINC000218235203 173057527 /nfs/dbraw/zinc/05/75/27/173057527.db2.gz CATBFVAFYZVZKH-JTQLQIEISA-N 0 3 208.309 0.604 20 70 BCIDHN CC(=O)N[C@H]1CCN(CCC(C)(C)O)C1 ZINC000160320262 487777455 /nfs/dbraw/zinc/77/74/55/487777455.db2.gz MGLDZQHSSVVQFF-JTQLQIEISA-N 0 3 214.309 0.358 20 70 BCIDHN CCOC(=O)CCCN(C)CC(C)(CO)CO ZINC000159545506 323036142 /nfs/dbraw/zinc/03/61/42/323036142.db2.gz STAGKIQHOTZDRL-UHFFFAOYSA-N 0 3 247.335 0.252 20 70 BCIDHN Cc1ccc(CN2CC[C@H](C(N)=O)C2)nc1 ZINC000159864601 323050987 /nfs/dbraw/zinc/05/09/87/323050987.db2.gz NLAQZZVEKRGGED-JTQLQIEISA-N 0 3 219.288 0.697 20 70 BCIDHN CC(C)C[C@@H](N)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000159618582 488071674 /nfs/dbraw/zinc/07/16/74/488071674.db2.gz YTZZDIZXNLVLTH-GRYCIOLGSA-N 0 3 239.363 0.713 20 70 BCIDHN Cc1cnccc1CNC(=O)C1(N)CC1 ZINC000160614195 488148091 /nfs/dbraw/zinc/14/80/91/488148091.db2.gz WFCGRCVLEWRKGE-UHFFFAOYSA-N 0 3 205.261 0.498 20 70 BCIDHN CN(CCCCCO)[C@@H]1CCN(C)C1=O ZINC000217935225 536333810 /nfs/dbraw/zinc/33/38/10/536333810.db2.gz SDAPTKBDLPNFNQ-SNVBAGLBSA-N 0 3 214.309 0.312 20 70 BCIDHN CC[C@@H](CSC)NCCS(C)(=O)=O ZINC000217330146 582816692 /nfs/dbraw/zinc/81/66/92/582816692.db2.gz FDYNJSXGGPHXOU-QMMMGPOBSA-N 0 3 225.379 0.762 20 70 BCIDHN CCc1nn(C)cc1CNC1(CO)CC1 ZINC000161399382 538915583 /nfs/dbraw/zinc/91/55/83/538915583.db2.gz PFZIATLVPYLYID-UHFFFAOYSA-N 0 3 209.293 0.597 20 70 BCIDHN Cc1nn(C)cc1CN[C@@H](C)[C@@H](C)CO ZINC000160153400 187358299 /nfs/dbraw/zinc/35/82/99/187358299.db2.gz PQROCBTWNQNALV-IUCAKERBSA-N 0 3 211.309 0.835 20 70 BCIDHN COCCN(C)CCNC(=O)NC1(C)CCC1 ZINC000160572627 323072756 /nfs/dbraw/zinc/07/27/56/323072756.db2.gz SJBYIWMEXLSUIV-UHFFFAOYSA-N 0 3 243.351 0.806 20 70 BCIDHN CC(C)CC(=O)NCC1CCN(CCO)CC1 ZINC000160696636 187359273 /nfs/dbraw/zinc/35/92/73/187359273.db2.gz LVDJHLWCINECLE-UHFFFAOYSA-N 0 3 242.363 0.853 20 70 BCIDHN CC1(C)[C@H](NC(=O)C2(N)CC2)[C@H]2CCO[C@@H]21 ZINC000159539233 345441604 /nfs/dbraw/zinc/44/16/04/345441604.db2.gz ICRRUAFBOTXJBB-HLTSFMKQSA-N 0 3 224.304 0.407 20 70 BCIDHN CC[C@H](C)[C@@H](O)CNC(=O)[C@@H](N)CCSC ZINC000159817407 345556674 /nfs/dbraw/zinc/55/66/74/345556674.db2.gz ZJCKRIDUGOEVPG-GUBZILKMSA-N 0 3 248.392 0.590 20 70 BCIDHN COC[C@H](O)CCNC(=O)[C@H](C(C)C)N(C)C ZINC000161204675 349397362 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CCN(CCC(=O)NC)Cc1cnn(C)c1 ZINC000161122719 323147932 /nfs/dbraw/zinc/14/79/32/323147932.db2.gz JSQJKMLDEKOBSP-UHFFFAOYSA-N 0 3 224.308 0.378 20 70 BCIDHN CC[C@H](CSC)NCCS(C)(=O)=O ZINC000217330147 582816761 /nfs/dbraw/zinc/81/67/61/582816761.db2.gz FDYNJSXGGPHXOU-MRVPVSSYSA-N 0 3 225.379 0.762 20 70 BCIDHN CC[C@H](CCO)NCCS(=O)(=O)CC ZINC000217815288 592149174 /nfs/dbraw/zinc/14/91/74/592149174.db2.gz IMOSWTJKXBDGIQ-SECBINFHSA-N 0 3 223.338 0.172 20 70 BCIDHN CCOC[C@@H]1CCCN(C(=O)[C@@H](N)CC)C1 ZINC000160066842 323059416 /nfs/dbraw/zinc/05/94/16/323059416.db2.gz IBDMPDRMDUKOKN-MNOVXSKESA-N 0 3 228.336 0.999 20 70 BCIDHN O=C(Cc1ccn[nH]1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000159376717 345428532 /nfs/dbraw/zinc/42/85/32/345428532.db2.gz ILNZEWSVZBDVSP-PHIMTYICSA-N 0 3 234.303 0.305 20 70 BCIDHN CCCNC(=O)[C@H](C)N(C)C[C@@H]1CCC[C@@H]1O ZINC000159811679 345554237 /nfs/dbraw/zinc/55/42/37/345554237.db2.gz BEKRWLIHASMVCN-SRVKXCTJSA-N 0 3 242.363 0.994 20 70 BCIDHN 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ZINC000160440918 181327967 /nfs/dbraw/zinc/32/79/67/181327967.db2.gz LWOAOZRKWMDKEZ-QMMMGPOBSA-N 0 3 226.301 0.389 20 70 BCIDHN CCCNC(=O)[C@H](C)N(CC)CCCO ZINC000160726167 361325488 /nfs/dbraw/zinc/32/54/88/361325488.db2.gz LQPKMXBQUNVZBK-JTQLQIEISA-N 0 3 216.325 0.605 20 70 BCIDHN CCCC[C@H](COC)NC(=O)[C@H](C)N ZINC000161164667 169003801 /nfs/dbraw/zinc/00/38/01/169003801.db2.gz KJOGZEUCAVLDGE-DTWKUNHWSA-N 0 3 202.298 0.655 20 70 BCIDHN C[C@H](N)C(=O)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000159553013 384340277 /nfs/dbraw/zinc/34/02/77/384340277.db2.gz WJKWNVWLWYXCNM-GXSJLCMTSA-N 0 3 247.298 0.255 20 70 BCIDHN C[C@H](N)C(=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC000159553160 384341436 /nfs/dbraw/zinc/34/14/36/384341436.db2.gz WJKWNVWLWYXCNM-ONGXEEELSA-N 0 3 247.298 0.255 20 70 BCIDHN C[C@@]1(CNC(=O)C2(N)CC2)CCCC[C@H]1O ZINC000160838381 386269275 /nfs/dbraw/zinc/26/92/75/386269275.db2.gz QCJYGBNVSJMBAA-KOLCDFICSA-N 0 3 226.320 0.535 20 70 BCIDHN C[C@@H](C(=O)N(C)C)N1CCC[C@@H](N(C)C)C1 ZINC000217146625 387251926 /nfs/dbraw/zinc/25/19/26/387251926.db2.gz FKJJRDLOUSEZJL-WDEREUQCSA-N 0 3 227.352 0.489 20 70 BCIDHN CC[C@](C)(O)CN1CCCN(C(N)=O)CC1 ZINC000160839899 387963068 /nfs/dbraw/zinc/96/30/68/387963068.db2.gz QHNNSDOAGSHZOD-NSHDSACASA-N 0 3 229.324 0.234 20 70 BCIDHN CCC(CC)[C@@H](O)CNC(=O)[C@@H](C)N ZINC000159759912 388029133 /nfs/dbraw/zinc/02/91/33/388029133.db2.gz XXCMAIQIBKHFJW-APPZFPTMSA-N 0 3 202.298 0.247 20 70 BCIDHN C[C@@H](O)C[C@H](C)CNC(=O)[C@@H](N)C(C)(C)C ZINC000160570254 388075972 /nfs/dbraw/zinc/07/59/72/388075972.db2.gz PYEJAIWKARGOHI-IVZWLZJFSA-N 0 3 230.352 0.883 20 70 BCIDHN CCC[C@@H](N)C(=O)NCC[C@@H](O)C(C)C ZINC000160898344 388099322 /nfs/dbraw/zinc/09/93/22/388099322.db2.gz BKCZWLNGWILIAE-NXEZZACHSA-N 0 3 216.325 0.637 20 70 BCIDHN CC[C@H](O)CCNCc1cn(C)nc1C ZINC000160167422 388049888 /nfs/dbraw/zinc/04/98/88/388049888.db2.gz SFSDMNSXLXZGMO-NSHDSACASA-N 0 3 211.309 0.979 20 70 BCIDHN CCC[C@@H](O)CNCc1cc(C)nn1C ZINC000217902962 134251140 /nfs/dbraw/zinc/25/11/40/134251140.db2.gz CSENHRBXCWECCM-LLVKDONJSA-N 0 3 211.309 0.979 20 70 BCIDHN CCN1CCC[C@@H]1CNC(=O)N[C@@H]1CCOC1 ZINC000159444703 397946982 /nfs/dbraw/zinc/94/69/82/397946982.db2.gz FEHLJCCCLHNRAH-GHMZBOCLSA-N 0 3 241.335 0.559 20 70 BCIDHN CCOC(=O)[C@H](C)CNC(=O)C(C)(C)N ZINC000160800055 170264214 /nfs/dbraw/zinc/26/42/14/170264214.db2.gz YVNVVHPXJZUEFV-SSDOTTSWSA-N 0 3 216.281 0.039 20 70 BCIDHN CCOC(=O)[C@H](NC(=O)CNC)[C@@H](C)CC ZINC000161505771 170276836 /nfs/dbraw/zinc/27/68/36/170276836.db2.gz HFVDFOBZRQTXGU-WCBMZHEXSA-N 0 3 230.308 0.300 20 70 BCIDHN CCS(=O)(=O)C[C@@H](C)N[C@@H](C)CN(C)C ZINC000217327601 170610896 /nfs/dbraw/zinc/61/08/96/170610896.db2.gz YVYMVLGAQFTXNE-VHSXEESVSA-N 0 3 236.381 0.349 20 70 BCIDHN CNCC(=O)NC[C@H](C)Oc1cccc(F)c1 ZINC000161147597 173330446 /nfs/dbraw/zinc/33/04/46/173330446.db2.gz ZFOYUUSXFMOPSK-VIFPVBQESA-N 0 3 240.278 0.929 20 70 BCIDHN CN(C)CCNC(=O)CN(C)[C@@H]1CCSC1 ZINC000160004657 323057429 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PJGWDQCQOVPDLN-QMMMGPOBSA-N 0 3 248.373 0.882 20 70 BCIDHN Cc1nn(C)cc1CNCC1(O)CCC1 ZINC000160143945 388048158 /nfs/dbraw/zinc/04/81/58/388048158.db2.gz GRCWYDHEQQOQPS-UHFFFAOYSA-N 0 3 209.293 0.733 20 70 BCIDHN Cn1ccnc1CNC[C@@H]1CCCN1C ZINC000218234937 134252740 /nfs/dbraw/zinc/25/27/40/134252740.db2.gz NDDQJSRTGVSQFM-JTQLQIEISA-N 0 3 208.309 0.604 20 70 BCIDHN COC1CCC(N(C)C(=O)[C@H](C)N)CC1 ZINC000160056039 174021276 /nfs/dbraw/zinc/02/12/76/174021276.db2.gz KVTUNHUKLWKGTB-IDKOKCKLSA-N 0 3 214.309 0.750 20 70 BCIDHN CC(C)N(C)CC(=O)N(C)[C@H](C)CO ZINC000160444949 534993005 /nfs/dbraw/zinc/99/30/05/534993005.db2.gz JJLWRBKUPOXYQD-SECBINFHSA-N 0 3 202.298 0.166 20 70 BCIDHN CSCCCCNC(=O)CNC1CC1 ZINC000159624149 343202407 /nfs/dbraw/zinc/20/24/07/343202407.db2.gz UPZZQQWMLMCKKA-UHFFFAOYSA-N 0 3 216.350 0.998 20 70 BCIDHN CN(CCNC(=O)N[C@@H]1CCOC1)C1CC1 ZINC000159423943 345433727 /nfs/dbraw/zinc/43/37/27/345433727.db2.gz KIMNDWJKZWKTKA-SECBINFHSA-N 0 3 227.308 0.169 20 70 BCIDHN CC(C)[C@H](N)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000159614634 345446700 /nfs/dbraw/zinc/44/67/00/345446700.db2.gz UHHJFXIMRNAINF-AXFHLTTASA-N 0 3 225.336 0.323 20 70 BCIDHN COC(=O)[C@@H](NC(=O)CN)C1CCCCC1 ZINC000217831569 345744350 /nfs/dbraw/zinc/74/43/50/345744350.db2.gz BZDWUNFBUKICPP-JTQLQIEISA-N 0 3 228.292 0.183 20 70 BCIDHN CNCC(=O)Nc1ccc(OC)c(N)c1 ZINC000161168403 346031799 /nfs/dbraw/zinc/03/17/99/346031799.db2.gz HOCACAVSQITKFI-UHFFFAOYSA-N 0 3 209.249 0.435 20 70 BCIDHN CCN1CCC[C@@H]1CNC(=O)c1cc[nH]c(=O)c1 ZINC000159569392 346425292 /nfs/dbraw/zinc/42/52/92/346425292.db2.gz MNLAUBFUDAQMHO-LLVKDONJSA-N 0 3 249.314 0.589 20 70 BCIDHN CSCC[C@H](N)C(=O)NCC[C@H](O)C(C)C ZINC000160899573 349336487 /nfs/dbraw/zinc/33/64/87/349336487.db2.gz IAGQKMSOXULHGX-UWVGGRQHSA-N 0 3 248.392 0.590 20 70 BCIDHN Cc1nn(C)cc1CNC1(CO)CCC1 ZINC000160169231 191110857 /nfs/dbraw/zinc/11/08/57/191110857.db2.gz HEYQUJNUCMKZOM-UHFFFAOYSA-N 0 3 209.293 0.733 20 70 BCIDHN CCN(C)CCNC(=O)c1ccc(OC)nn1 ZINC000160147453 353308307 /nfs/dbraw/zinc/30/83/07/353308307.db2.gz YEGAATXBWSJTEM-UHFFFAOYSA-N 0 3 238.291 0.167 20 70 BCIDHN CCC[C@H](O)CNC(=O)C1(N)CCC1 ZINC000217966152 357917197 /nfs/dbraw/zinc/91/71/97/357917197.db2.gz WMKIBSOWJBXPTD-QMMMGPOBSA-N 0 3 200.282 0.145 20 70 BCIDHN CCC[C@H](O)CNC[C@@H](O)C(F)(F)F ZINC000217917644 357917401 /nfs/dbraw/zinc/91/74/01/357917401.db2.gz YGOIIZWKXUTYTN-NKWVEPMBSA-N 0 3 215.215 0.660 20 70 BCIDHN CC(C)N1CCN(Cc2nccn2C)CC1 ZINC000160765055 358442376 /nfs/dbraw/zinc/44/23/76/358442376.db2.gz YWXCPSCIFYECKF-UHFFFAOYSA-N 0 3 222.336 0.946 20 70 BCIDHN CC(C)C[C@@H]1COCCN1C(=O)[C@@H](C)N ZINC000159629554 361271817 /nfs/dbraw/zinc/27/18/17/361271817.db2.gz PTFOPGHVJZZTNE-NXEZZACHSA-N 0 3 214.309 0.607 20 70 BCIDHN CC(C)C[C@@H]1COCCN1C(=O)[C@H](C)N ZINC000159629414 361272018 /nfs/dbraw/zinc/27/20/18/361272018.db2.gz PTFOPGHVJZZTNE-VHSXEESVSA-N 0 3 214.309 0.607 20 70 BCIDHN NCC(=O)NCc1nc(C(F)(F)F)cs1 ZINC000161002521 181354328 /nfs/dbraw/zinc/35/43/28/181354328.db2.gz CXLAOLFCIFGEFA-UHFFFAOYSA-N 0 3 239.222 0.737 20 70 BCIDHN CCCN1CCCN(C(=O)[C@@H]2CCOC2)CC1 ZINC000160376714 169192734 /nfs/dbraw/zinc/19/27/34/169192734.db2.gz BKHQJLPFSPZCRU-GFCCVEGCSA-N 0 3 240.347 0.967 20 70 BCIDHN C[C@H](C(=O)N(C)C)N(C)C[C@@H]1CCC[C@@H]1O ZINC000159490509 384279888 /nfs/dbraw/zinc/27/98/88/384279888.db2.gz BLXXBHIXVQQMEK-VWYCJHECSA-N 0 3 228.336 0.556 20 70 BCIDHN CCS(=O)(=O)C[C@H](C)N[C@@H](C)CN(C)C ZINC000217327602 384480122 /nfs/dbraw/zinc/48/01/22/384480122.db2.gz YVYMVLGAQFTXNE-UWVGGRQHSA-N 0 3 236.381 0.349 20 70 BCIDHN C[C@H](N)C(=O)Nc1cnn(CC(F)F)c1 ZINC000160989625 384961798 /nfs/dbraw/zinc/96/17/98/384961798.db2.gz GYOBFDIMUDOSKQ-YFKPBYRVSA-N 0 3 218.207 0.434 20 70 BCIDHN C[C@H](N)C(=O)NC[C@@H](O)c1ccsc1 ZINC000161498963 386313161 /nfs/dbraw/zinc/31/31/61/386313161.db2.gz RVPOMFPBQFVPIX-POYBYMJQSA-N 0 3 214.290 0.245 20 70 BCIDHN CC[C@@H](C)[C@@H](N)C(=O)Nc1ccnn1C ZINC000160903782 386540024 /nfs/dbraw/zinc/54/00/24/386540024.db2.gz ZVZVOULXRMBRKP-VXNVDRBHSA-N 0 3 210.281 0.732 20 70 BCIDHN CCCCN(CCOC)C(=O)[C@H](C)N ZINC000159550905 388020551 /nfs/dbraw/zinc/02/05/51/388020551.db2.gz PGQQARLMTMOVKW-VIFPVBQESA-N 0 3 202.298 0.609 20 70 BCIDHN COC[C@@H](C)NC(=O)[C@@]1(C)CCCCN1 ZINC000159555356 388021496 /nfs/dbraw/zinc/02/14/96/388021496.db2.gz DMAGUKDXWPDNTE-MWLCHTKSSA-N 0 3 214.309 0.670 20 70 BCIDHN C[C@@]1(C(=O)Nc2cn[nH]c2)CCCCN1 ZINC000159570271 388022054 /nfs/dbraw/zinc/02/20/54/388022054.db2.gz UKBVWGXHPBWEGO-JTQLQIEISA-N 0 3 208.265 0.880 20 70 BCIDHN C[C@@H]1COC[C@H](C)N1C(=O)C[C@@H]1CNCCO1 ZINC000160520797 388072633 /nfs/dbraw/zinc/07/26/33/388072633.db2.gz RMLZSCQDMJJTOM-OUAUKWLOSA-N 0 3 242.319 0.001 20 70 BCIDHN C[C@@H](N)C(=O)NCCc1ccc(Cl)nc1 ZINC000160527517 388073855 /nfs/dbraw/zinc/07/38/55/388073855.db2.gz UGKMMIVMEBQXPN-SSDOTTSWSA-N 0 3 227.695 0.741 20 70 BCIDHN C[C@@H](CNC(=O)[C@H]1CCCCN1)C[C@H](C)O ZINC000160567545 388074915 /nfs/dbraw/zinc/07/49/15/388074915.db2.gz RYKUPQFKDGXQPS-OUAUKWLOSA-N 0 3 228.336 0.652 20 70 BCIDHN CCCC[C@@H](N)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160164964 388049817 /nfs/dbraw/zinc/04/98/17/388049817.db2.gz KDIXZRROXLJZEC-GRYCIOLGSA-N 0 3 239.363 0.857 20 70 BCIDHN CC[C@H](N)C(=O)Nc1cnn(CC(F)F)c1 ZINC000160990794 397773926 /nfs/dbraw/zinc/77/39/26/397773926.db2.gz DKRWGCSPXHHVPR-ZETCQYMHSA-N 0 3 232.234 0.824 20 70 BCIDHN CCOC(=O)[C@@H](NC(=O)CNC)[C@H](C)CC ZINC000161505442 170254921 /nfs/dbraw/zinc/25/49/21/170254921.db2.gz HFVDFOBZRQTXGU-SCZZXKLOSA-N 0 3 230.308 0.300 20 70 BCIDHN CC[C@H](CCO)NCc1cn(C)nc1C ZINC000160155057 171428492 /nfs/dbraw/zinc/42/84/92/171428492.db2.gz QAKSAFRWQUGXDV-LLVKDONJSA-N 0 3 211.309 0.979 20 70 BCIDHN CN(C)C(=O)[C@@H]1CCCN1CCn1ccnc1 ZINC000159732672 172383665 /nfs/dbraw/zinc/38/36/65/172383665.db2.gz BPZXXJURBMUGKJ-NSHDSACASA-N 0 3 236.319 0.436 20 70 BCIDHN COC1CCC(N(C)C(=O)[C@@H](C)N)CC1 ZINC000160056153 174020829 /nfs/dbraw/zinc/02/08/29/174020829.db2.gz KVTUNHUKLWKGTB-XNWIYYODSA-N 0 3 214.309 0.750 20 70 BCIDHN CC(C)OC(=O)CCN(C)CC(C)(CO)CO ZINC000159598781 323040013 /nfs/dbraw/zinc/04/00/13/323040013.db2.gz FJPDXQJISDBSHZ-UHFFFAOYSA-N 0 3 247.335 0.251 20 70 BCIDHN CSCCN(C)C(=O)[C@H]1CCCCN1 ZINC000159999321 323057189 /nfs/dbraw/zinc/05/71/89/323057189.db2.gz WOQNBDZFHGRYBB-SECBINFHSA-N 0 3 216.350 0.950 20 70 BCIDHN Cn1cnnc1CN1CCN(C2CCCC2)CC1 ZINC000160760024 323106152 /nfs/dbraw/zinc/10/61/52/323106152.db2.gz VXZLTEYAYZPXDP-UHFFFAOYSA-N 0 3 249.362 0.875 20 70 BCIDHN CCC[C@H](O)CNCCS(=O)(=O)CC ZINC000217875899 592150881 /nfs/dbraw/zinc/15/08/81/592150881.db2.gz NDHHHMAKUVUCDT-VIFPVBQESA-N 0 3 223.338 0.172 20 70 BCIDHN CCN(CC)CCOC(=O)CNC(C)=O ZINC000217997838 592151639 /nfs/dbraw/zinc/15/16/39/592151639.db2.gz WOUSSHANTFCBGB-UHFFFAOYSA-N 0 3 216.281 0.008 20 70 BCIDHN CC(=O)N1CCCN(C[C@@H](C)CO)CC1 ZINC000160905100 538913142 /nfs/dbraw/zinc/91/31/42/538913142.db2.gz FXVDTUNWRJRIFW-SNVBAGLBSA-N 0 3 214.309 0.169 20 70 BCIDHN CC[C@H](O)CCNC(=O)CNC1CC1 ZINC000159619081 343202364 /nfs/dbraw/zinc/20/23/64/343202364.db2.gz QCIPDHRLNUIMAN-VIFPVBQESA-N 0 3 200.282 0.016 20 70 BCIDHN COCC(C)(C)NC(=O)CNC1CC1 ZINC000159618331 343202642 /nfs/dbraw/zinc/20/26/42/343202642.db2.gz HTGQQDDLFLHXBP-UHFFFAOYSA-N 0 3 200.282 0.280 20 70 BCIDHN Cc1nn(C)cc1CNC(C)(C)CCO ZINC000160158503 187358192 /nfs/dbraw/zinc/35/81/92/187358192.db2.gz GKDJNYSPSJLOIT-UHFFFAOYSA-N 0 3 211.309 0.979 20 70 BCIDHN CC(C)N(C)CC(=O)N(C)[C@@H](C)CO ZINC000160444775 534994808 /nfs/dbraw/zinc/99/48/08/534994808.db2.gz JJLWRBKUPOXYQD-VIFPVBQESA-N 0 3 202.298 0.166 20 70 BCIDHN CN(CCNC(=O)N[C@H]1CCOC1)C1CC1 ZINC000159424092 345433382 /nfs/dbraw/zinc/43/33/82/345433382.db2.gz KIMNDWJKZWKTKA-VIFPVBQESA-N 0 3 227.308 0.169 20 70 BCIDHN CN1CCCN(C(=O)N[C@H]2CCOC2)CC1 ZINC000159547008 345442263 /nfs/dbraw/zinc/44/22/63/345442263.db2.gz ZASOWUXFRRKSIQ-JTQLQIEISA-N 0 3 227.308 0.122 20 70 BCIDHN CC[C@H](C)[C@H](O)CNC(=O)[C@@H](N)CCSC ZINC000159817166 345555993 /nfs/dbraw/zinc/55/59/93/345555993.db2.gz ZJCKRIDUGOEVPG-LPEHRKFASA-N 0 3 248.392 0.590 20 70 BCIDHN CN(C)C/C=C\C(=O)N1CCC(O)CC1 ZINC000217134935 345744470 /nfs/dbraw/zinc/74/44/70/345744470.db2.gz KINKKUXPQCQLMK-ARJAWSKDSA-N 0 3 212.293 0.088 20 70 BCIDHN CCCC[C@@H](COC)NC(=O)[C@H](C)N ZINC000161164550 346031782 /nfs/dbraw/zinc/03/17/82/346031782.db2.gz KJOGZEUCAVLDGE-IUCAKERBSA-N 0 3 202.298 0.655 20 70 BCIDHN O=C(c1ccn[nH]1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160508498 348991509 /nfs/dbraw/zinc/99/15/09/348991509.db2.gz WDEVQUCBWHTYRM-DTORHVGOSA-N 0 3 220.276 0.376 20 70 BCIDHN NCc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3)o1 ZINC000160744353 349316528 /nfs/dbraw/zinc/31/65/28/349316528.db2.gz YBMJNNNKWIYCAJ-AOOOYVTPSA-N 0 3 249.314 0.705 20 70 BCIDHN CSCC[C@@H](N)C(=O)N[C@@H](C)CSC ZINC000161206395 349397531 /nfs/dbraw/zinc/39/75/31/349397531.db2.gz LSEYJNYJTRJGLU-JGVFFNPUSA-N 0 3 236.406 0.935 20 70 BCIDHN Cc1nccn1CCN(C)CC[C@@H](C)O ZINC000160390656 180250625 /nfs/dbraw/zinc/25/06/25/180250625.db2.gz NIXUAKZSOGWGDY-SNVBAGLBSA-N 0 3 211.309 0.894 20 70 BCIDHN COC(=O)[C@@H](NC(=O)[C@@H](C)N)C(C)(C)C ZINC000159908410 351024950 /nfs/dbraw/zinc/02/49/50/351024950.db2.gz XHIYDNPJGWOFLW-RNFRBKRXSA-N 0 3 216.281 0.038 20 70 BCIDHN CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)CN ZINC000161175926 188047125 /nfs/dbraw/zinc/04/71/25/188047125.db2.gz SAPJRVIHBFCREX-MWLCHTKSSA-N 0 3 228.336 0.903 20 70 BCIDHN Cn1ccnc1CNC[C@H]1CCCN1C ZINC000218235016 134252729 /nfs/dbraw/zinc/25/27/29/134252729.db2.gz NDDQJSRTGVSQFM-SNVBAGLBSA-N 0 3 208.309 0.604 20 70 BCIDHN C[C@@]1(C(=O)N2CCOCC2)CCCCN1 ZINC000159549038 361252367 /nfs/dbraw/zinc/25/23/67/361252367.db2.gz RDAYDNJAWCROHB-NSHDSACASA-N 0 3 212.293 0.377 20 70 BCIDHN COCCNC(=O)[C@@]1(C)CCCCN1 ZINC000159545520 361251336 /nfs/dbraw/zinc/25/13/36/361251336.db2.gz AHFLWIBBKJEKFJ-SNVBAGLBSA-N 0 3 200.282 0.281 20 70 BCIDHN CCCO[C@@H]1CCCN(C(=O)CN)CC1 ZINC000159469953 361238661 /nfs/dbraw/zinc/23/86/61/361238661.db2.gz LWFBTWUBBWWPPD-SNVBAGLBSA-N 0 3 214.309 0.753 20 70 BCIDHN COCCNC(=O)[C@]1(C)CCCCN1 ZINC000159545646 361251838 /nfs/dbraw/zinc/25/18/38/361251838.db2.gz AHFLWIBBKJEKFJ-JTQLQIEISA-N 0 3 200.282 0.281 20 70 BCIDHN CC(C)(C)OC(=O)CCN1CC[C@H](O)C1 ZINC000159613695 361268847 /nfs/dbraw/zinc/26/88/47/361268847.db2.gz GQWMSZZWGQBQES-VIFPVBQESA-N 0 3 215.293 0.785 20 70 BCIDHN Cc1nn(C)cc1CN[C@@H](C)CC(N)=O ZINC000160798240 361328352 /nfs/dbraw/zinc/32/83/52/361328352.db2.gz ZODWJQJNOWUNQE-ZETCQYMHSA-N 0 3 210.281 0.082 20 70 BCIDHN NCC(=O)NC[C@H]1CCc2ccccc21 ZINC000159727235 181353693 /nfs/dbraw/zinc/35/36/93/181353693.db2.gz KAKCTKQIWIKXAV-SNVBAGLBSA-N 0 3 204.273 0.791 20 70 BCIDHN CSC[C@@](C)(O)CNCc1cncnc1 ZINC000217849355 372018843 /nfs/dbraw/zinc/01/88/43/372018843.db2.gz GYXZZOGJAGSTBW-JTQLQIEISA-N 0 3 227.333 0.680 20 70 BCIDHN CCOC(=O)[C@H](NC(=O)CNC)[C@H](C)CC ZINC000161505658 170276809 /nfs/dbraw/zinc/27/68/09/170276809.db2.gz HFVDFOBZRQTXGU-PSASIEDQSA-N 0 3 230.308 0.300 20 70 BCIDHN CCS(=O)(=O)C[C@@H](C)N[C@H](C)CN(C)C ZINC000217327604 384479529 /nfs/dbraw/zinc/47/95/29/384479529.db2.gz YVYMVLGAQFTXNE-NXEZZACHSA-N 0 3 236.381 0.349 20 70 BCIDHN CCO[C@H]1C[C@@H](NC(=O)CNC)C12CCC2 ZINC000160992582 385296005 /nfs/dbraw/zinc/29/60/05/385296005.db2.gz QIAMTADRUDLLPN-ZJUUUORDSA-N 0 3 226.320 0.670 20 70 BCIDHN C[C@]1(CNC(=O)C2(N)CC2)CCCC[C@H]1O ZINC000160838273 386269201 /nfs/dbraw/zinc/26/92/01/386269201.db2.gz QCJYGBNVSJMBAA-MWLCHTKSSA-N 0 3 226.320 0.535 20 70 BCIDHN CCN(CCCO)[C@@H]1CCCCNC1=O ZINC000160373442 387083223 /nfs/dbraw/zinc/08/32/23/387083223.db2.gz QBCNCXWJHYIZBC-SNVBAGLBSA-N 0 3 214.309 0.359 20 70 BCIDHN CCN(C)CCNC(=O)N[C@H]1CCOC1 ZINC000159537538 388020651 /nfs/dbraw/zinc/02/06/51/388020651.db2.gz NBCSLIWBWDAPAF-VIFPVBQESA-N 0 3 215.297 0.026 20 70 BCIDHN CCC(CC)(CNCC(N)=O)C(=O)OC ZINC000159663341 388026118 /nfs/dbraw/zinc/02/61/18/388026118.db2.gz ACQFVVXCFDCJBT-UHFFFAOYSA-N 0 3 216.281 0.041 20 70 BCIDHN O=C([C@H]1CSCN1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000159870051 388035816 /nfs/dbraw/zinc/03/58/16/388035816.db2.gz YPEWXILLWQKYAF-KXUCPTDWSA-N 0 3 241.360 0.002 20 70 BCIDHN Cc1c(CN[C@H](C)[C@H](C)CO)cnn1C ZINC000160154782 388048419 /nfs/dbraw/zinc/04/84/19/388048419.db2.gz BBHMAZVJHWCFIC-RKDXNWHRSA-N 0 3 211.309 0.835 20 70 BCIDHN CCN(CC)CC(=O)N[C@H](CO)CC(C)C ZINC000160990363 397773816 /nfs/dbraw/zinc/77/38/16/397773816.db2.gz MMFJRRUDUWRWMQ-NSHDSACASA-N 0 3 230.352 0.851 20 70 BCIDHN CCN(CC)CC(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160387750 411139848 /nfs/dbraw/zinc/13/98/48/411139848.db2.gz QBJAWKLZWSGEDQ-TXEJJXNPSA-N 0 3 239.363 0.681 20 70 BCIDHN CCOC(=O)[C@@H](C)CNC(=O)[C@@H](N)C(C)C ZINC000160802807 170245504 /nfs/dbraw/zinc/24/55/04/170245504.db2.gz NXQXIYPTGYAXRZ-IUCAKERBSA-N 0 3 230.308 0.285 20 70 BCIDHN O=C(CNC1CC1)NC1CCSCC1 ZINC000159618661 323040672 /nfs/dbraw/zinc/04/06/72/323040672.db2.gz OQTHZWYFJFYQOW-UHFFFAOYSA-N 0 3 214.334 0.750 20 70 BCIDHN CN(C)CCNC(=O)CN(C)[C@H]1CCSC1 ZINC000160004811 323057344 /nfs/dbraw/zinc/05/73/44/323057344.db2.gz YDWWKXICUDGJFB-JTQLQIEISA-N 0 3 245.392 0.102 20 70 BCIDHN CCC[C@@H](O)CNC(=O)[C@@H](CC)N(C)C ZINC000160421514 323066312 /nfs/dbraw/zinc/06/63/12/323066312.db2.gz OWYDQPQDRFVCQZ-NXEZZACHSA-N 0 3 216.325 0.604 20 70 BCIDHN CCOC(=O)[C@H](C)CNC(=O)[C@H](N)C(C)C ZINC000160802704 323135972 /nfs/dbraw/zinc/13/59/72/323135972.db2.gz NXQXIYPTGYAXRZ-RKDXNWHRSA-N 0 3 230.308 0.285 20 70 BCIDHN CO[C@@H]1CCCC[C@@H]1N[C@@H](C)C(N)=O ZINC000218018542 536592522 /nfs/dbraw/zinc/59/25/22/536592522.db2.gz DZXRHLZMFDLEPZ-XHNCKOQMSA-N 0 3 200.282 0.407 20 70 BCIDHN COC(CN1CCC(CNC(C)=O)CC1)OC ZINC000217897537 592150915 /nfs/dbraw/zinc/15/09/15/592150915.db2.gz ZWOZPAPBHPVQSW-UHFFFAOYSA-N 0 3 244.335 0.453 20 70 BCIDHN CN(C)CCCS(=O)(=O)N1C[C@@H]2C[C@@H]2C1 ZINC000218128112 592152239 /nfs/dbraw/zinc/15/22/39/592152239.db2.gz MJHZGGFUEISGAO-AOOOYVTPSA-N 0 3 232.349 0.220 20 70 BCIDHN CC(C)C[C@@H](O)CNCc1cncn1C ZINC000218168299 592153643 /nfs/dbraw/zinc/15/36/43/592153643.db2.gz KIQLCNVKWVWQSA-LLVKDONJSA-N 0 3 211.309 0.917 20 70 BCIDHN OCCCN1CCN(c2ccncc2)CC1 ZINC000161343321 538915390 /nfs/dbraw/zinc/91/53/90/538915390.db2.gz MSHMLGJTEUIJQO-UHFFFAOYSA-N 0 3 221.304 0.586 20 70 BCIDHN CCN1CCN(C[C@@H](C)CO)C[C@@H]1C ZINC000160974280 538913825 /nfs/dbraw/zinc/91/38/25/538913825.db2.gz AMMUEXRDXCWROH-MNOVXSKESA-N 0 3 200.326 0.641 20 70 BCIDHN CC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000217966034 345744522 /nfs/dbraw/zinc/74/45/22/345744522.db2.gz FIRKEMUNTITUET-AWEZNQCLSA-N 0 3 248.326 0.760 20 70 BCIDHN CC(C)[C@@H](C(=O)N(C)CC[C@@H](C)O)N(C)C ZINC000159953309 345714803 /nfs/dbraw/zinc/71/48/03/345714803.db2.gz SIEPHUSWZMDEGS-MNOVXSKESA-N 0 3 230.352 0.802 20 70 BCIDHN CN1CCC(NC(=O)C=Cc2c[nH]cn2)CC1 ZINC000218368749 350091094 /nfs/dbraw/zinc/09/10/94/350091094.db2.gz HBEWSLDKKFIFQG-NSCUHMNNSA-N 0 3 234.303 0.633 20 70 BCIDHN COC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)(C)C ZINC000159908121 351025193 /nfs/dbraw/zinc/02/51/93/351025193.db2.gz XHIYDNPJGWOFLW-NKWVEPMBSA-N 0 3 216.281 0.038 20 70 BCIDHN CC[C@H](CCO)NC[C@H](O)C(F)(F)F ZINC000217855776 357911400 /nfs/dbraw/zinc/91/14/00/357911400.db2.gz OUQKZQWKQBXSGR-RQJHMYQMSA-N 0 3 215.215 0.660 20 70 BCIDHN CCC[C@@H](O)CNC[C@@H](O)C(F)(F)F ZINC000217917567 357917150 /nfs/dbraw/zinc/91/71/50/357917150.db2.gz YGOIIZWKXUTYTN-RNFRBKRXSA-N 0 3 215.215 0.660 20 70 BCIDHN CCC[C@H](O)CNCc1cc(C)nn1C ZINC000217903040 134251162 /nfs/dbraw/zinc/25/11/62/134251162.db2.gz CSENHRBXCWECCM-NSHDSACASA-N 0 3 211.309 0.979 20 70 BCIDHN C[C@]1(C(=O)N2CCOCC2)CCCCN1 ZINC000159548894 361252441 /nfs/dbraw/zinc/25/24/41/361252441.db2.gz RDAYDNJAWCROHB-LLVKDONJSA-N 0 3 212.293 0.377 20 70 BCIDHN CCOC(=O)CN1CCN(c2ccncc2)CC1 ZINC000161285236 363914594 /nfs/dbraw/zinc/91/45/94/363914594.db2.gz YIXNFJKOQZZUCN-UHFFFAOYSA-N 0 3 249.314 0.767 20 70 BCIDHN NCC(=O)NCCC(=O)Nc1ccccc1 ZINC000160022478 181352172 /nfs/dbraw/zinc/35/21/72/181352172.db2.gz SULVMERWZZOGFZ-UHFFFAOYSA-N 0 3 221.260 0.090 20 70 BCIDHN CN(C)CCNC(=O)c1cnc2c(c1)ncn2C ZINC000159673515 384347637 /nfs/dbraw/zinc/34/76/37/384347637.db2.gz WRNLLPUKXBIKBZ-UHFFFAOYSA-N 0 3 247.302 0.260 20 70 BCIDHN C[C@@H](N)C(=O)NCCc1cc(F)ccc1F ZINC000159668038 384348575 /nfs/dbraw/zinc/34/85/75/384348575.db2.gz PNKJNLXLNNQYNY-SSDOTTSWSA-N 0 3 228.242 0.971 20 70 BCIDHN CN(CCn1ccnc1)C[C@@H]1CCCO1 ZINC000159761166 384353605 /nfs/dbraw/zinc/35/36/05/384353605.db2.gz UWYYPRNDGZLUNW-NSHDSACASA-N 0 3 209.293 0.994 20 70 BCIDHN CN(CCn1ccnc1)C[C@H]1CCCO1 ZINC000159761323 384354450 /nfs/dbraw/zinc/35/44/50/384354450.db2.gz UWYYPRNDGZLUNW-LLVKDONJSA-N 0 3 209.293 0.994 20 70 BCIDHN C[C@H](N)C(=O)N1CCOc2cc(F)ccc21 ZINC000160815313 384436483 /nfs/dbraw/zinc/43/64/83/384436483.db2.gz PJEHHJXQVKRKRR-ZETCQYMHSA-N 0 3 224.235 0.898 20 70 BCIDHN CCS(=O)(=O)C[C@H](C)N[C@H](C)CN(C)C ZINC000217327606 384480436 /nfs/dbraw/zinc/48/04/36/384480436.db2.gz YVYMVLGAQFTXNE-ZJUUUORDSA-N 0 3 236.381 0.349 20 70 BCIDHN CC(C)N(C)CC(=O)NCCSCCCO ZINC000161487701 385094680 /nfs/dbraw/zinc/09/46/80/385094680.db2.gz KPGKQUBJPBEMSY-UHFFFAOYSA-N 0 3 248.392 0.558 20 70 BCIDHN CC(C)[C@@H](O)CCNC(=O)[C@@H]1CCCCN1 ZINC000160896835 385266812 /nfs/dbraw/zinc/26/68/12/385266812.db2.gz ZWVDRTAMSREIJQ-QWRGUYRKSA-N 0 3 228.336 0.652 20 70 BCIDHN O=C1CCC(=O)N1CCN1CCCSCC1 ZINC000161483718 385769700 /nfs/dbraw/zinc/76/97/00/385769700.db2.gz DEBOVSOQAGRTGE-UHFFFAOYSA-N 0 3 242.344 0.574 20 70 BCIDHN C[C@H](N)C(=O)NC[C@H](O)c1ccsc1 ZINC000161498878 386314452 /nfs/dbraw/zinc/31/44/52/386314452.db2.gz RVPOMFPBQFVPIX-XPUUQOCRSA-N 0 3 214.290 0.245 20 70 BCIDHN CC[C@@H](C(=O)N[C@H]1CCN(C(C)=O)C1)N(C)C ZINC000159492172 386467360 /nfs/dbraw/zinc/46/73/60/386467360.db2.gz KTGIFPRLOKKALK-QWRGUYRKSA-N 0 3 241.335 0.064 20 70 BCIDHN CC[C@H](C(=O)N[C@@H]1CCN(C(C)=O)C1)N(C)C ZINC000159492043 386468573 /nfs/dbraw/zinc/46/85/73/386468573.db2.gz KTGIFPRLOKKALK-GHMZBOCLSA-N 0 3 241.335 0.064 20 70 BCIDHN C[C@@H](N)C(=O)NCc1ccccc1OCCO ZINC000161249345 386811845 /nfs/dbraw/zinc/81/18/45/386811845.db2.gz FQEDIHCPYSBOHJ-SECBINFHSA-N 0 3 238.287 0.021 20 70 BCIDHN CC[C@H](O)CCNC(=O)NC1CCN(C)CC1 ZINC000160714879 387109696 /nfs/dbraw/zinc/10/96/96/387109696.db2.gz NRGJYJHYHUIRNX-NSHDSACASA-N 0 3 243.351 0.541 20 70 BCIDHN CC[C@H](C)[C@H](O)CNC(=O)[C@@H](N)CC ZINC000159819325 388030783 /nfs/dbraw/zinc/03/07/83/388030783.db2.gz XOBLRGBICQFXJZ-XHNCKOQMSA-N 0 3 202.298 0.247 20 70 BCIDHN CC[C@H](C)[C@@H](O)CNC(=O)[C@@H](N)CC ZINC000159819189 388031768 /nfs/dbraw/zinc/03/17/68/388031768.db2.gz XOBLRGBICQFXJZ-CIUDSAMLSA-N 0 3 202.298 0.247 20 70 BCIDHN O=C1CCN(CCOCC2CC2)CCN1 ZINC000160470830 388068490 /nfs/dbraw/zinc/06/84/90/388068490.db2.gz BJDGFQWNIGPXLF-UHFFFAOYSA-N 0 3 212.293 0.235 20 70 BCIDHN C[C@H](N)C(=O)NCCc1ccc(Cl)nc1 ZINC000160526150 388073492 /nfs/dbraw/zinc/07/34/92/388073492.db2.gz UGKMMIVMEBQXPN-ZETCQYMHSA-N 0 3 227.695 0.741 20 70 BCIDHN CNC(=O)CCN(C)CCOCC1CC1 ZINC000160409921 173246309 /nfs/dbraw/zinc/24/63/09/173246309.db2.gz NZIIXGICSMZUAT-UHFFFAOYSA-N 0 3 214.309 0.481 20 70 BCIDHN COC(=O)Cc1cccc(NC(=O)[C@@H](C)N)c1 ZINC000159642809 173643343 /nfs/dbraw/zinc/64/33/43/173643343.db2.gz FQZYAEGKSJKQQW-MRVPVSSYSA-N 0 3 236.271 0.688 20 70 BCIDHN C[C@@H](N)C(=O)NC[C@@H](O)c1ccsc1 ZINC000161499513 175798371 /nfs/dbraw/zinc/79/83/71/175798371.db2.gz RVPOMFPBQFVPIX-HTRCEHHLSA-N 0 3 214.290 0.245 20 70 BCIDHN Cc1ccc(CN2CC[C@@H](C(N)=O)C2)nc1 ZINC000159864743 323050923 /nfs/dbraw/zinc/05/09/23/323050923.db2.gz NLAQZZVEKRGGED-SNVBAGLBSA-N 0 3 219.288 0.697 20 70 BCIDHN CSCCN(C)C(=O)[C@@H]1CCCCN1 ZINC000159999174 323057245 /nfs/dbraw/zinc/05/72/45/323057245.db2.gz WOQNBDZFHGRYBB-VIFPVBQESA-N 0 3 216.350 0.950 20 70 BCIDHN C[C@H](N)C(=O)Nc1nncn1Cc1ccccc1 ZINC000161153833 323149497 /nfs/dbraw/zinc/14/94/97/323149497.db2.gz PQCJNBQQIRCOJT-VIFPVBQESA-N 0 3 245.286 0.612 20 70 BCIDHN COC(CNC(C)(C)C(C)(C)O)OC ZINC000218056238 592151755 /nfs/dbraw/zinc/15/17/55/592151755.db2.gz DXHGJPBLXDJOSD-UHFFFAOYSA-N 0 3 205.298 0.744 20 70 BCIDHN CC(C)CN1CCN(C[C@H](C)CO)CC1 ZINC000160904822 538913293 /nfs/dbraw/zinc/91/32/93/538913293.db2.gz HPNCBJCREORRDN-LBPRGKRZSA-N 0 3 214.353 0.888 20 70 BCIDHN CC[C@@H](O)CN[C@@H](C)CS(=O)(=O)CC ZINC000217327681 342919705 /nfs/dbraw/zinc/91/97/05/342919705.db2.gz YSZZCSLAEUDVKX-DTWKUNHWSA-N 0 3 223.338 0.170 20 70 BCIDHN CSC[C@H](C)NC(=O)CNC1CC1 ZINC000159624582 343202400 /nfs/dbraw/zinc/20/24/00/343202400.db2.gz HXRJSGNBVOLUJP-ZETCQYMHSA-N 0 3 202.323 0.606 20 70 BCIDHN CC[C@H](C(N)=O)N(C)C[C@@H]1CCC[C@@H]1O ZINC000159864742 345573350 /nfs/dbraw/zinc/57/33/50/345573350.db2.gz GQRHLETYYAGXMH-AEJSXWLSSA-N 0 3 214.309 0.343 20 70 BCIDHN CSCCN(C)C(=O)C1(N)CCC1 ZINC000160010431 346438662 /nfs/dbraw/zinc/43/86/62/346438662.db2.gz UOJBAJCLTOQTMJ-UHFFFAOYSA-N 0 3 202.323 0.689 20 70 BCIDHN CCOC(=O)c1ccc(CNC(=O)[C@@H](C)N)o1 ZINC000159574960 350903446 /nfs/dbraw/zinc/90/34/46/350903446.db2.gz WGUZCDSHJBHXMM-SSDOTTSWSA-N 0 3 240.259 0.420 20 70 BCIDHN CC(C)(C)c1cnc(CNC(=O)CN)o1 ZINC000160636437 188221105 /nfs/dbraw/zinc/22/11/05/188221105.db2.gz RGYNIIVCNBIFQR-UHFFFAOYSA-N 0 3 211.265 0.547 20 70 BCIDHN C[C@H]1CC[C@H](C(N)=O)CN1Cc1cncnc1 ZINC000159507758 538878073 /nfs/dbraw/zinc/87/80/73/538878073.db2.gz AYIHJDKBZFXSHL-ONGXEEELSA-N 0 3 234.303 0.562 20 70 BCIDHN CCCS(=O)(=O)N[C@@H]1CCN2CCCC[C@@H]12 ZINC000218059988 134251561 /nfs/dbraw/zinc/25/15/61/134251561.db2.gz FZWXPSWBHXFUIQ-MNOVXSKESA-N 0 3 246.376 0.943 20 70 BCIDHN NC1(C(=O)NCC[C@@H](O)c2ccccc2)CC1 ZINC000160846887 181325382 /nfs/dbraw/zinc/32/53/82/181325382.db2.gz KGWNNYPJVMILEN-LLVKDONJSA-N 0 3 234.299 0.718 20 70 BCIDHN Cc1nn(C)cc1CN[C@H](C)CC(N)=O ZINC000160798370 361327832 /nfs/dbraw/zinc/32/78/32/361327832.db2.gz ZODWJQJNOWUNQE-SSDOTTSWSA-N 0 3 210.281 0.082 20 70 BCIDHN CCCN1CCCN(C(=O)COCC)CC1 ZINC000160360592 169192494 /nfs/dbraw/zinc/19/24/94/169192494.db2.gz PHORRCIJWFCMHS-UHFFFAOYSA-N 0 3 228.336 0.967 20 70 BCIDHN CCC[C@@H](C(=O)NCc1ccnn1C)N(C)C ZINC000161492847 169345515 /nfs/dbraw/zinc/34/55/15/169345515.db2.gz WCWJEXQOJUJRGK-NSHDSACASA-N 0 3 238.335 0.767 20 70 BCIDHN CCC[C@H](C(=O)NCc1nncn1C)N(C)C ZINC000159751723 384355839 /nfs/dbraw/zinc/35/58/39/384355839.db2.gz DHIYOFQLHQWOFC-SECBINFHSA-N 0 3 239.323 0.162 20 70 BCIDHN COCCC1(C(=O)NCCN(C)C)CC1 ZINC000161386015 384990646 /nfs/dbraw/zinc/99/06/46/384990646.db2.gz UDRJLHILEGRSAO-UHFFFAOYSA-N 0 3 214.309 0.481 20 70 BCIDHN CCO[C@H]1C[C@H](NC(=O)CNC)C12CCC2 ZINC000160992327 385297560 /nfs/dbraw/zinc/29/75/60/385297560.db2.gz QIAMTADRUDLLPN-UWVGGRQHSA-N 0 3 226.320 0.670 20 70 BCIDHN C[C@H](N)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000161105043 385449017 /nfs/dbraw/zinc/44/90/17/385449017.db2.gz IBQVBHJCRMRAIH-KDXUFGMBSA-N 0 3 212.293 0.263 20 70 BCIDHN CN(C[C@H]1CCCN1C)C(=O)N[C@@H]1CCOC1 ZINC000160668769 385700533 /nfs/dbraw/zinc/70/05/33/385700533.db2.gz CSGMGVPDMLKQAH-GHMZBOCLSA-N 0 3 241.335 0.511 20 70 BCIDHN Cc1cc(C(=O)NC2CCN(C)CC2)ncn1 ZINC000161290623 387180270 /nfs/dbraw/zinc/18/02/70/387180270.db2.gz FNOBCCUJMIXDHL-UHFFFAOYSA-N 0 3 234.303 0.609 20 70 BCIDHN CN1CCC(NC(=O)N[C@H]2CCOC2)CC1 ZINC000159420251 388012758 /nfs/dbraw/zinc/01/27/58/388012758.db2.gz WNVMFLPFLNMELD-JTQLQIEISA-N 0 3 227.308 0.169 20 70 BCIDHN CCC[C@@H](O)CNC(=O)[C@H](N)CCSC ZINC000159763209 388029949 /nfs/dbraw/zinc/02/99/49/388029949.db2.gz PYXGSBODHYEKGM-RKDXNWHRSA-N 0 3 234.365 0.344 20 70 BCIDHN CC(C)[C@@H](O)CCNC(=O)[C@H]1CCCCN1 ZINC000160897050 388099408 /nfs/dbraw/zinc/09/94/08/388099408.db2.gz ZWVDRTAMSREIJQ-MNOVXSKESA-N 0 3 228.336 0.652 20 70 BCIDHN Cc1c(CNC2(CO)CCC2)cnn1C ZINC000160169510 388049326 /nfs/dbraw/zinc/04/93/26/388049326.db2.gz WZCHHRWMGCNSEF-UHFFFAOYSA-N 0 3 209.293 0.733 20 70 BCIDHN C[C@H](CO)N(C)Cc1ccc(CO)cc1 ZINC000159458487 397947846 /nfs/dbraw/zinc/94/78/46/397947846.db2.gz WUTPBJVUHIQHGT-SNVBAGLBSA-N 0 3 209.289 0.992 20 70 BCIDHN COCCCNC(=O)[C@]1(C)CCCCN1 ZINC000159550680 174244690 /nfs/dbraw/zinc/24/46/90/174244690.db2.gz HMFKSNKTKSDRCI-NSHDSACASA-N 0 3 214.309 0.671 20 70 BCIDHN CNC(=O)c1cccc(CCNC(=O)[C@@H](C)N)c1 ZINC000161417536 173311604 /nfs/dbraw/zinc/31/16/04/173311604.db2.gz IXDJWSIPTBSROW-SECBINFHSA-N 0 3 249.314 0.052 20 70 BCIDHN CCOC(=O)C[C@@H](C)NC(=O)[C@H](CC)N(C)C ZINC000159557904 323036694 /nfs/dbraw/zinc/03/66/94/323036694.db2.gz LZMVSKCDAUWJJH-ZJUUUORDSA-N 0 3 244.335 0.785 20 70 BCIDHN CC[C@@H](N)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000159617954 323040601 /nfs/dbraw/zinc/04/06/01/323040601.db2.gz FQPMNAFGZYEFEG-KXUCPTDWSA-N 0 3 211.309 0.077 20 70 BCIDHN C[C@@H]1CC[C@H](C(N)=O)CN1Cc1ccnn1C ZINC000159644085 323041682 /nfs/dbraw/zinc/04/16/82/323041682.db2.gz PKMQMUVHPQIHJO-ZJUUUORDSA-N 0 3 236.319 0.506 20 70 BCIDHN CC[C@H](C)[C@H](O)CNC(=O)[C@H](N)CCSC ZINC000159819901 323049324 /nfs/dbraw/zinc/04/93/24/323049324.db2.gz ZJCKRIDUGOEVPG-IVZWLZJFSA-N 0 3 248.392 0.590 20 70 BCIDHN CC[C@@H](C(=O)N[C@H](CO)CC(C)C)N(C)C ZINC000160886721 323137649 /nfs/dbraw/zinc/13/76/49/323137649.db2.gz IPFNOAPAWPXEJJ-QWRGUYRKSA-N 0 3 230.352 0.850 20 70 BCIDHN CN(CCCCCO)[C@H]1CCN(C)C1=O ZINC000217935302 536333781 /nfs/dbraw/zinc/33/37/81/536333781.db2.gz SDAPTKBDLPNFNQ-JTQLQIEISA-N 0 3 214.309 0.312 20 70 BCIDHN CC(C)C[C@H](O)CNCc1ccnn1C ZINC000218250605 592153623 /nfs/dbraw/zinc/15/36/23/592153623.db2.gz MYZIWHWZDKHPKN-NSHDSACASA-N 0 3 211.309 0.917 20 70 BCIDHN CC[C@@H](O)CN[C@H](C)CS(=O)(=O)CC ZINC000217327684 342919675 /nfs/dbraw/zinc/91/96/75/342919675.db2.gz YSZZCSLAEUDVKX-RKDXNWHRSA-N 0 3 223.338 0.170 20 70 BCIDHN CCNC(=O)CN1CCC[C@@H]1C[C@@H](C)O ZINC000159376673 345428704 /nfs/dbraw/zinc/42/87/04/345428704.db2.gz DAUYJDYYNVAXQJ-NXEZZACHSA-N 0 3 214.309 0.358 20 70 BCIDHN CCCNC(=O)CNC(=O)[C@@H](C(C)C)N(C)C ZINC000159481655 345436876 /nfs/dbraw/zinc/43/68/76/345436876.db2.gz XKBUMIFHKHSRLA-LLVKDONJSA-N 0 3 243.351 0.215 20 70 BCIDHN C[C@](CO)(NCCCO)c1ccccc1 ZINC000161222123 346116290 /nfs/dbraw/zinc/11/62/90/346116290.db2.gz LWSSZDRQPXKLEM-GFCCVEGCSA-N 0 3 209.289 0.866 20 70 BCIDHN CC[C@H](C(=O)N[C@H]1CCC[C@@H]1O)N(C)C ZINC000161120694 362795009 /nfs/dbraw/zinc/79/50/09/362795009.db2.gz IFKWQXAPGUWZKC-AEJSXWLSSA-N 0 3 214.309 0.356 20 70 BCIDHN OCCNCc1ccc2nccnc2c1 ZINC000161141148 362796081 /nfs/dbraw/zinc/79/60/81/362796081.db2.gz BCLYPQWIJPVOLB-UHFFFAOYSA-N 0 3 203.245 0.712 20 70 BCIDHN CCOC(=O)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC000160872536 349334061 /nfs/dbraw/zinc/33/40/61/349334061.db2.gz QYPYFJRVTWNLIO-SNVBAGLBSA-N 0 3 244.335 0.785 20 70 BCIDHN CSCC[C@@H](N)C(=O)NCC[C@@H](O)C(C)C ZINC000160899212 349336313 /nfs/dbraw/zinc/33/63/13/349336313.db2.gz IAGQKMSOXULHGX-NXEZZACHSA-N 0 3 248.392 0.590 20 70 BCIDHN CSCC[C@H](N)C(=O)NCC[C@@H](O)C(C)C ZINC000160899470 349336366 /nfs/dbraw/zinc/33/63/66/349336366.db2.gz IAGQKMSOXULHGX-VHSXEESVSA-N 0 3 248.392 0.590 20 70 BCIDHN C[C@H](N)C(=O)NCc1ccccc1OCCO ZINC000161249044 349414662 /nfs/dbraw/zinc/41/46/62/349414662.db2.gz FQEDIHCPYSBOHJ-VIFPVBQESA-N 0 3 238.287 0.021 20 70 BCIDHN Cc1nn(C)cc1CN[C@H](C)[C@H](C)CO ZINC000160153771 180375483 /nfs/dbraw/zinc/37/54/83/180375483.db2.gz PQROCBTWNQNALV-RKDXNWHRSA-N 0 3 211.309 0.835 20 70 BCIDHN Cc1c(CNCC2(O)CCC2)cnn1C ZINC000160144213 350676957 /nfs/dbraw/zinc/67/69/57/350676957.db2.gz MECGGACAKZMMRV-UHFFFAOYSA-N 0 3 209.293 0.733 20 70 BCIDHN CCOC(=O)c1ccc(CNC(=O)[C@H](C)N)o1 ZINC000159574415 350902976 /nfs/dbraw/zinc/90/29/76/350902976.db2.gz WGUZCDSHJBHXMM-ZETCQYMHSA-N 0 3 240.259 0.420 20 70 BCIDHN CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)CN ZINC000161175561 187533347 /nfs/dbraw/zinc/53/33/47/187533347.db2.gz SAPJRVIHBFCREX-ONGXEEELSA-N 0 3 228.336 0.903 20 70 BCIDHN C[C@H](C(N)=O)N1CCN(c2ccncc2)CC1 ZINC000161340396 538111608 /nfs/dbraw/zinc/11/16/08/538111608.db2.gz ZCQVNOABGRJFSB-SNVBAGLBSA-N 0 3 234.303 0.077 20 70 BCIDHN C[C@@H](O)CCNC(=O)[C@@]1(C)CCCCN1 ZINC000159564436 361255555 /nfs/dbraw/zinc/25/55/55/361255555.db2.gz OGUROWWFYZHMRN-MWLCHTKSSA-N 0 3 214.309 0.406 20 70 BCIDHN CCOC(=O)[C@H](C)CNC(=O)[C@@H](N)CC ZINC000160801469 361327876 /nfs/dbraw/zinc/32/78/76/361327876.db2.gz FSHGTDDOEHWRAU-SFYZADRCSA-N 0 3 216.281 0.039 20 70 BCIDHN CC[C@@H](CSC)NC(=O)C(C)(C)N ZINC000217332879 384157507 /nfs/dbraw/zinc/15/75/07/384157507.db2.gz QUEYORRTWZMBPS-ZETCQYMHSA-N 0 3 204.339 0.982 20 70 BCIDHN CC(C)NC(=O)CNC(=O)[C@H](C(C)C)N(C)C ZINC000159658683 384348538 /nfs/dbraw/zinc/34/85/38/384348538.db2.gz IDRKHYUJOBQLDG-NSHDSACASA-N 0 3 243.351 0.213 20 70 BCIDHN CN(C)CCNC(=O)c1ccc2nc[nH]c2n1 ZINC000159860555 384365321 /nfs/dbraw/zinc/36/53/21/384365321.db2.gz XIROHEYOPHPOGS-UHFFFAOYSA-N 0 3 233.275 0.249 20 70 BCIDHN C[C@@H](N)C(=O)NCCC(=O)Nc1ccccc1 ZINC000160022635 384379081 /nfs/dbraw/zinc/37/90/81/384379081.db2.gz QIJUOAIEHVTPJH-SECBINFHSA-N 0 3 235.287 0.479 20 70 BCIDHN CCC[C@H](C(=O)NCc1ccnn1C)N(C)C ZINC000161492957 384494991 /nfs/dbraw/zinc/49/49/91/384494991.db2.gz WCWJEXQOJUJRGK-LLVKDONJSA-N 0 3 238.335 0.767 20 70 BCIDHN CSCC[C@@H](N)C(=O)NCCC1CC1 ZINC000160888443 385183704 /nfs/dbraw/zinc/18/37/04/385183704.db2.gz FGPYDHKYFNCGDI-SECBINFHSA-N 0 3 216.350 0.983 20 70 BCIDHN CCO[C@@H]1C[C@@H](NC(=O)CNC)C12CCC2 ZINC000160992452 385297863 /nfs/dbraw/zinc/29/78/63/385297863.db2.gz QIAMTADRUDLLPN-NXEZZACHSA-N 0 3 226.320 0.670 20 70 BCIDHN CC[C@H](N)C(=O)NC[C@H](O)c1ccsc1 ZINC000161502364 386326564 /nfs/dbraw/zinc/32/65/64/386326564.db2.gz HUPYCTZZNJODDT-IUCAKERBSA-N 0 3 228.317 0.635 20 70 BCIDHN COC(=O)[C@](C)(O)CN(C)CCSC ZINC000160111366 386461307 /nfs/dbraw/zinc/46/13/07/386461307.db2.gz FUKLHULGJHIMHC-SECBINFHSA-N 0 3 221.322 0.205 20 70 BCIDHN CCCNC(=O)[C@@H](C)N(CC)CCCO ZINC000160726036 388085950 /nfs/dbraw/zinc/08/59/50/388085950.db2.gz LQPKMXBQUNVZBK-SNVBAGLBSA-N 0 3 216.325 0.605 20 70 BCIDHN CC(C)[C@H](O)CCNC(=O)[C@@H]1CCCCN1 ZINC000160896714 388098818 /nfs/dbraw/zinc/09/88/18/388098818.db2.gz ZWVDRTAMSREIJQ-WDEREUQCSA-N 0 3 228.336 0.652 20 70 BCIDHN C[C@]1(O)CCCN(CCn2cccn2)C1 ZINC000160999257 388108871 /nfs/dbraw/zinc/10/88/71/388108871.db2.gz CSADOLVBVQPPCA-NSHDSACASA-N 0 3 209.293 0.730 20 70 BCIDHN Cc1nn(C)cc1CNC[C@@H](O)C(C)C ZINC000160147163 388048591 /nfs/dbraw/zinc/04/85/91/388048591.db2.gz RVWVPLQEKBDLNI-LLVKDONJSA-N 0 3 211.309 0.835 20 70 BCIDHN OC[C@@H](O)CNC/C=C\c1ccccc1 ZINC000218152855 134251583 /nfs/dbraw/zinc/25/15/83/134251583.db2.gz MTPZYZIVHNJRDE-KMSCOEIWSA-N 0 3 207.273 0.643 20 70 BCIDHN CCOC(=O)[C@@H](NC(=O)CNC)[C@@H](C)CC ZINC000161505560 170254430 /nfs/dbraw/zinc/25/44/30/170254430.db2.gz HFVDFOBZRQTXGU-WPRPVWTQSA-N 0 3 230.308 0.300 20 70 BCIDHN CN1CCC[C@@H]1CNCc1ccnn1C ZINC000218235123 173033986 /nfs/dbraw/zinc/03/39/86/173033986.db2.gz CATBFVAFYZVZKH-SNVBAGLBSA-N 0 3 208.309 0.604 20 70 BCIDHN C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1ccnn1C ZINC000159644339 323041790 /nfs/dbraw/zinc/04/17/90/323041790.db2.gz PKMQMUVHPQIHJO-NXEZZACHSA-N 0 3 236.319 0.506 20 70 BCIDHN Cn1cnnc1CN1CCN(CC2CC2)CC1 ZINC000160815559 323136338 /nfs/dbraw/zinc/13/63/38/323136338.db2.gz KEYWILLYNWPKJO-UHFFFAOYSA-N 0 3 235.335 0.343 20 70 BCIDHN CC(=O)N[C@@H]1CCN(CCC(C)(C)O)C1 ZINC000160320144 488123569 /nfs/dbraw/zinc/12/35/69/488123569.db2.gz MGLDZQHSSVVQFF-SNVBAGLBSA-N 0 3 214.309 0.358 20 70 BCIDHN CCC[C@H](O)CNC(=O)CNC(C)C ZINC000217964353 490491141 /nfs/dbraw/zinc/49/11/41/490491141.db2.gz BGQSACKGXFXYMU-VIFPVBQESA-N 0 3 202.298 0.262 20 70 BCIDHN CCC[C@@H](O)CNC(=O)CNC(C)C ZINC000217964264 584911670 /nfs/dbraw/zinc/91/16/70/584911670.db2.gz BGQSACKGXFXYMU-SECBINFHSA-N 0 3 202.298 0.262 20 70 BCIDHN C[C@H](CNCCS(C)(=O)=O)N(C)C1CC1 ZINC000218564158 592164204 /nfs/dbraw/zinc/16/42/04/592164204.db2.gz UIKKWLIXCVTWAX-SECBINFHSA-N 0 3 234.365 0.103 20 70 BCIDHN C[C@@H](C(N)=O)N1CCN(c2ccncc2)CC1 ZINC000161340270 538915174 /nfs/dbraw/zinc/91/51/74/538915174.db2.gz ZCQVNOABGRJFSB-JTQLQIEISA-N 0 3 234.303 0.077 20 70 BCIDHN NC(=O)[C@@H]1CCN(Cc2cnc(N)s2)C1 ZINC000218310112 136269981 /nfs/dbraw/zinc/26/99/81/136269981.db2.gz IXKVOYHYKUWUTB-ZCFIWIBFSA-N 0 3 226.305 0.033 20 70 BCIDHN CN1CCCN(C(=O)N[C@@H]2CCOC2)CC1 ZINC000159546861 345442094 /nfs/dbraw/zinc/44/20/94/345442094.db2.gz ZASOWUXFRRKSIQ-SNVBAGLBSA-N 0 3 227.308 0.122 20 70 BCIDHN CC[C@@H](C)[C@@H](O)CNC(=O)[C@@H](N)CCSC ZINC000159817298 345556195 /nfs/dbraw/zinc/55/61/95/345556195.db2.gz ZJCKRIDUGOEVPG-UTLUCORTSA-N 0 3 248.392 0.590 20 70 BCIDHN CCC[C@H](N)C(=O)NC(C)(C)C(=O)N(C)C ZINC000159408864 346420523 /nfs/dbraw/zinc/42/05/23/346420523.db2.gz NPWYIMGDQZPXKO-QMMMGPOBSA-N 0 3 229.324 0.097 20 70 BCIDHN Cc1nccn1CCN(C)CC[C@H](C)O ZINC000160390797 180252589 /nfs/dbraw/zinc/25/25/89/180252589.db2.gz NIXUAKZSOGWGDY-JTQLQIEISA-N 0 3 211.309 0.894 20 70 BCIDHN Cc1nccn1CCN1CCN(C)CC1 ZINC000160674260 180254333 /nfs/dbraw/zinc/25/43/33/180254333.db2.gz SMYDBXLOELEPDC-UHFFFAOYSA-N 0 3 208.309 0.439 20 70 BCIDHN CC(C)(O)CCN1CCCC[C@]1(C)C(N)=O ZINC000160267612 535285133 /nfs/dbraw/zinc/28/51/33/535285133.db2.gz IKICWHLYJKNHPN-GFCCVEGCSA-N 0 3 228.336 0.877 20 70 BCIDHN NC(=O)[C@H]1CCN(Cc2cnc3ccccn23)C1 ZINC000159842135 538879625 /nfs/dbraw/zinc/87/96/25/538879625.db2.gz NDWBLLUHIIBCFK-JTQLQIEISA-N 0 3 244.298 0.642 20 70 BCIDHN CC[C@@H](CCO)NC[C@@H](O)C(F)(F)F ZINC000217855562 357911473 /nfs/dbraw/zinc/91/14/73/357911473.db2.gz OUQKZQWKQBXSGR-NKWVEPMBSA-N 0 3 215.215 0.660 20 70 BCIDHN CSCCN(C)C(=O)[C@H](N)C(C)C ZINC000160002464 361297012 /nfs/dbraw/zinc/29/70/12/361297012.db2.gz VCHIBQJVBIFOSG-MRVPVSSYSA-N 0 3 204.339 0.791 20 70 BCIDHN CC[C@H](N)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000159615162 361269202 /nfs/dbraw/zinc/26/92/02/361269202.db2.gz FQPMNAFGZYEFEG-AEJSXWLSSA-N 0 3 211.309 0.077 20 70 BCIDHN CC(C)C[C@H]1COCCN1C(=O)[C@@H](C)N ZINC000159629665 361272002 /nfs/dbraw/zinc/27/20/02/361272002.db2.gz PTFOPGHVJZZTNE-ZJUUUORDSA-N 0 3 214.309 0.607 20 70 BCIDHN CCCN(CCO)Cc1cnc2cnccn12 ZINC000161202981 169166787 /nfs/dbraw/zinc/16/67/87/169166787.db2.gz JLLYMZAQGCDSCK-UHFFFAOYSA-N 0 3 234.303 0.934 20 70 BCIDHN CCC[C@@H](C(=O)NCc1nncn1C)N(C)C ZINC000159751597 169344911 /nfs/dbraw/zinc/34/49/11/169344911.db2.gz DHIYOFQLHQWOFC-VIFPVBQESA-N 0 3 239.323 0.162 20 70 BCIDHN C[C@H](N)C(=O)NCc1ncc(C(C)(C)C)o1 ZINC000160636298 384425584 /nfs/dbraw/zinc/42/55/84/384425584.db2.gz XXMDXMKGYNNANZ-ZETCQYMHSA-N 0 3 225.292 0.936 20 70 BCIDHN CC[C@H](O)CN[C@@H](C)CS(=O)(=O)CC ZINC000217327683 384480276 /nfs/dbraw/zinc/48/02/76/384480276.db2.gz YSZZCSLAEUDVKX-IUCAKERBSA-N 0 3 223.338 0.170 20 70 BCIDHN C[C@@H](N)C(=O)Nc1cnn(CC(F)F)c1 ZINC000160989905 384961566 /nfs/dbraw/zinc/96/15/66/384961566.db2.gz GYOBFDIMUDOSKQ-RXMQYKEDSA-N 0 3 218.207 0.434 20 70 BCIDHN CN(C)C(=O)CN(C)[C@@H]1CCCC[C@@H]1O ZINC000160769524 385717043 /nfs/dbraw/zinc/71/70/43/385717043.db2.gz NGJYBOVCVMNTFB-ZJUUUORDSA-N 0 3 214.309 0.310 20 70 BCIDHN CC[C@H](N)C(=O)NC[C@@H](O)c1ccsc1 ZINC000161502470 386326215 /nfs/dbraw/zinc/32/62/15/386326215.db2.gz HUPYCTZZNJODDT-DTWKUNHWSA-N 0 3 228.317 0.635 20 70 BCIDHN C[C@@H](O)C[C@@H](C)CNC(=O)[C@H]1CCCCN1 ZINC000160567284 388074696 /nfs/dbraw/zinc/07/46/96/388074696.db2.gz RYKUPQFKDGXQPS-GMTAPVOTSA-N 0 3 228.336 0.652 20 70 BCIDHN C[NH2+]C[C@@H](C)C[N-]S(=O)(=O)c1cccs1 ZINC000160138677 388047385 /nfs/dbraw/zinc/04/73/85/388047385.db2.gz PJGWDQCQOVPDLN-MRVPVSSYSA-N 0 3 248.373 0.882 20 70 BCIDHN CCCC[C@H](N)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160164831 388049792 /nfs/dbraw/zinc/04/97/92/388049792.db2.gz KDIXZRROXLJZEC-TUAOUCFPSA-N 0 3 239.363 0.857 20 70 BCIDHN CCS(=O)(=O)N[C@H]1CCN2CCCC[C@@H]12 ZINC000217892254 134250366 /nfs/dbraw/zinc/25/03/66/134250366.db2.gz JAMZNOLCJLFGNK-UWVGGRQHSA-N 0 3 232.349 0.553 20 70 BCIDHN CCN(C)C(=O)CN[C@H]1CS[C@H](C)C1 ZINC000217354268 411378232 /nfs/dbraw/zinc/37/82/32/411378232.db2.gz PZBQAJHJCVEGAG-RKDXNWHRSA-N 0 3 216.350 0.948 20 70 BCIDHN CNC(=O)c1cccc(CCNC(=O)[C@H](C)N)c1 ZINC000161417286 173311966 /nfs/dbraw/zinc/31/19/66/173311966.db2.gz IXDJWSIPTBSROW-VIFPVBQESA-N 0 3 249.314 0.052 20 70 BCIDHN CNCC(=O)NC[C@@H](C)Oc1cccc(F)c1 ZINC000161147711 173329239 /nfs/dbraw/zinc/32/92/39/173329239.db2.gz ZFOYUUSXFMOPSK-SECBINFHSA-N 0 3 240.278 0.929 20 70 BCIDHN C[C@@]1(CNC(=O)C2(N)CC2)CCCC[C@@H]1O ZINC000160838148 176531785 /nfs/dbraw/zinc/53/17/85/176531785.db2.gz QCJYGBNVSJMBAA-ONGXEEELSA-N 0 3 226.320 0.535 20 70 BCIDHN CCC[C@H](O)CNC(=O)[C@@H](CC)N(C)C ZINC000160421314 323066254 /nfs/dbraw/zinc/06/62/54/323066254.db2.gz OWYDQPQDRFVCQZ-VHSXEESVSA-N 0 3 216.325 0.604 20 70 BCIDHN CC[C@@H](C(=O)N[C@@H](CO)CC(C)C)N(C)C ZINC000160886930 323075754 /nfs/dbraw/zinc/07/57/54/323075754.db2.gz IPFNOAPAWPXEJJ-MNOVXSKESA-N 0 3 230.352 0.850 20 70 BCIDHN CC[C@H](C(=O)N[C@H](CO)CC(C)C)N(C)C ZINC000160886843 323137679 /nfs/dbraw/zinc/13/76/79/323137679.db2.gz IPFNOAPAWPXEJJ-WDEREUQCSA-N 0 3 230.352 0.850 20 70 BCIDHN CC(=O)N[C@@H]1CCCN(CCn2ccnc2)C1 ZINC000159757758 490564020 /nfs/dbraw/zinc/56/40/20/490564020.db2.gz JCXNAQNQXWNBTA-GFCCVEGCSA-N 0 3 236.319 0.484 20 70 BCIDHN CC[C@@H](C(=O)N[C@H](C)C(=O)OC)N(C)C ZINC000159630577 345447323 /nfs/dbraw/zinc/44/73/23/345447323.db2.gz SIGDRTKNLMWYBC-SFYZADRCSA-N 0 3 216.281 0.004 20 70 BCIDHN CC[C@H](C(=O)N[C@H](C)C(=O)OC)N(C)C ZINC000159630723 345447521 /nfs/dbraw/zinc/44/75/21/345447521.db2.gz SIGDRTKNLMWYBC-HTQZYQBOSA-N 0 3 216.281 0.004 20 70 BCIDHN CC(C)N(C)CC(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000159919102 345655164 /nfs/dbraw/zinc/65/51/64/345655164.db2.gz POTPZHHNEHDJMM-TXEJJXNPSA-N 0 3 239.363 0.680 20 70 BCIDHN COC[C@@H](O)CCNC(=O)[C@@H](C(C)C)N(C)C ZINC000160819746 349328798 /nfs/dbraw/zinc/32/87/98/349328798.db2.gz CPNDXVZDRWBPEW-WDEREUQCSA-N 0 3 246.351 0.086 20 70 BCIDHN COCCCNC(=O)[C@@]1(C)CCCCN1 ZINC000159550559 350234649 /nfs/dbraw/zinc/23/46/49/350234649.db2.gz HMFKSNKTKSDRCI-LLVKDONJSA-N 0 3 214.309 0.671 20 70 BCIDHN CC(C)(C)OC(=O)CCN1CC[C@@H](O)C1 ZINC000159613827 350254033 /nfs/dbraw/zinc/25/40/33/350254033.db2.gz GQWMSZZWGQBQES-SECBINFHSA-N 0 3 215.293 0.785 20 70 BCIDHN COC(=O)[C@@](C)(O)CN(C)CCSC ZINC000160111494 353139804 /nfs/dbraw/zinc/13/98/04/353139804.db2.gz FUKLHULGJHIMHC-VIFPVBQESA-N 0 3 221.322 0.205 20 70 BCIDHN CN(C[C@@H]1CCCN1C)C(=O)N1CCOCC1 ZINC000160667545 357165141 /nfs/dbraw/zinc/16/51/41/357165141.db2.gz WPHZAYHXNWOQTF-NSHDSACASA-N 0 3 241.335 0.465 20 70 BCIDHN C[C@@H]1CC[C@H](C(N)=O)CN1Cc1cncnc1 ZINC000159507629 538877577 /nfs/dbraw/zinc/87/75/77/538877577.db2.gz AYIHJDKBZFXSHL-KOLCDFICSA-N 0 3 234.303 0.562 20 70 BCIDHN C[C@H]1CC[C@@H](C(N)=O)CN1Cc1cncnc1 ZINC000159508015 538877912 /nfs/dbraw/zinc/87/79/12/538877912.db2.gz AYIHJDKBZFXSHL-GXSJLCMTSA-N 0 3 234.303 0.562 20 70 BCIDHN CCC[C@@H](O)CNC[C@H](O)C(F)(F)F ZINC000217917732 357917444 /nfs/dbraw/zinc/91/74/44/357917444.db2.gz YGOIIZWKXUTYTN-RQJHMYQMSA-N 0 3 215.215 0.660 20 70 BCIDHN CC[C@@H](O)CCNCc1cn(C)nc1C ZINC000160167563 361301717 /nfs/dbraw/zinc/30/17/17/361301717.db2.gz SFSDMNSXLXZGMO-LLVKDONJSA-N 0 3 211.309 0.979 20 70 BCIDHN C[C@H](N)C(=O)NCCc1cc(F)ccc1F ZINC000159667697 384349252 /nfs/dbraw/zinc/34/92/52/384349252.db2.gz PNKJNLXLNNQYNY-ZETCQYMHSA-N 0 3 228.242 0.971 20 70 BCIDHN CN(C[C@@H]1CCCN1C)C(=O)N[C@@H]1CCOC1 ZINC000160668906 385700863 /nfs/dbraw/zinc/70/08/63/385700863.db2.gz CSGMGVPDMLKQAH-MNOVXSKESA-N 0 3 241.335 0.511 20 70 BCIDHN C[C@@H](N)C(=O)NC[C@H](O)c1ccsc1 ZINC000161499373 386314705 /nfs/dbraw/zinc/31/47/05/386314705.db2.gz RVPOMFPBQFVPIX-SVRRBLITSA-N 0 3 214.290 0.245 20 70 BCIDHN CCC[C@H](O)CNC(=O)[C@H](N)CCSC ZINC000159763074 388030189 /nfs/dbraw/zinc/03/01/89/388030189.db2.gz PYXGSBODHYEKGM-DTWKUNHWSA-N 0 3 234.365 0.344 20 70 BCIDHN CC[C@H](N)C(=O)NCC(C)(C)C(=O)OC ZINC000160809979 388091712 /nfs/dbraw/zinc/09/17/12/388091712.db2.gz WQCMMABWJXUGKU-ZETCQYMHSA-N 0 3 216.281 0.039 20 70 BCIDHN COC(C)(C)CNC(=O)[C@H](N)CCSC ZINC000160895482 388099467 /nfs/dbraw/zinc/09/94/67/388099467.db2.gz AKTNYXXDRAUVQS-MRVPVSSYSA-N 0 3 234.365 0.608 20 70 BCIDHN CSCC[C@@H](N)C(=O)N(C)CC[C@H](C)O ZINC000160923491 388101727 /nfs/dbraw/zinc/10/17/27/388101727.db2.gz AXCVCDRPBBYFFB-DTWKUNHWSA-N 0 3 234.365 0.296 20 70 BCIDHN CC[C@H](O)CCNCc1cnn(C)c1C ZINC000160167968 388049962 /nfs/dbraw/zinc/04/99/62/388049962.db2.gz ZEZBGUHAPDFNKS-NSHDSACASA-N 0 3 211.309 0.979 20 70 BCIDHN C[C@H](N)C(=O)NCc1cccc(-c2nc[nH]n2)c1 ZINC000160836938 133510182 /nfs/dbraw/zinc/51/01/82/133510182.db2.gz ZUXXKYIYOQGMNP-QMMMGPOBSA-N 0 3 245.286 0.435 20 70 BCIDHN CCN(C)C(=O)CN[C@@H]1CS[C@H](C)C1 ZINC000217354181 411378372 /nfs/dbraw/zinc/37/83/72/411378372.db2.gz PZBQAJHJCVEGAG-BDAKNGLRSA-N 0 3 216.350 0.948 20 70 BCIDHN CN(CCC1CCOCC1)C(=O)C(C)(C)N ZINC000161402238 411438563 /nfs/dbraw/zinc/43/85/63/411438563.db2.gz BDGWUGMLQPJKAH-UHFFFAOYSA-N 0 3 228.336 0.999 20 70 BCIDHN CCOC(=O)C[C@@H](C)NC(=O)[C@@H](CC)N(C)C ZINC000159558032 323036736 /nfs/dbraw/zinc/03/67/36/323036736.db2.gz LZMVSKCDAUWJJH-NXEZZACHSA-N 0 3 244.335 0.785 20 70 BCIDHN CCOC(=O)C[C@H](C)NC(=O)CN(CC)CC ZINC000160833173 323136458 /nfs/dbraw/zinc/13/64/58/323136458.db2.gz JTXAYQOQZZYQAF-JTQLQIEISA-N 0 3 244.335 0.786 20 70 BCIDHN CC[C@H](C(=O)N[C@@H](CO)CC(C)C)N(C)C ZINC000160887056 323137624 /nfs/dbraw/zinc/13/76/24/323137624.db2.gz IPFNOAPAWPXEJJ-GHMZBOCLSA-N 0 3 230.352 0.850 20 70 BCIDHN CN1CCC[C@@H](NC(=O)N[C@@H]2CCOC2)C1 ZINC000159423276 566450533 /nfs/dbraw/zinc/45/05/33/566450533.db2.gz XUJAUOLDRHSZOW-NXEZZACHSA-N 0 3 227.308 0.169 20 70 BCIDHN CCCN(CCO)CCCCS(C)(=O)=O ZINC000161442387 538915567 /nfs/dbraw/zinc/91/55/67/538915567.db2.gz YKODTBDGTLPKPD-UHFFFAOYSA-N 0 3 237.365 0.516 20 70 BCIDHN C[C@H](N)C(=O)Nc1cccc(-c2nc[nH]n2)c1 ZINC000159502881 345440419 /nfs/dbraw/zinc/44/04/19/345440419.db2.gz HVVBUWFOXAJGTR-ZETCQYMHSA-N 0 3 231.259 0.757 20 70 BCIDHN CCN1CCC(NC(=O)c2cc[nH]c(=O)c2)CC1 ZINC000159584011 346426003 /nfs/dbraw/zinc/42/60/03/346426003.db2.gz DXYIENQORWOWGT-UHFFFAOYSA-N 0 3 249.314 0.589 20 70 BCIDHN CC[C@@H](C(=O)N[C@H]1CCC[C@@H]1O)N(C)C ZINC000161120594 346476192 /nfs/dbraw/zinc/47/61/92/346476192.db2.gz IFKWQXAPGUWZKC-GUBZILKMSA-N 0 3 214.309 0.356 20 70 BCIDHN CCCN1CCCN(C(=O)[C@H]2CCOC2)CC1 ZINC000160376826 347824543 /nfs/dbraw/zinc/82/45/43/347824543.db2.gz BKHQJLPFSPZCRU-LBPRGKRZSA-N 0 3 240.347 0.967 20 70 BCIDHN O=C(NCC1CCN(CCO)CC1)C1CCC1 ZINC000160686946 349302992 /nfs/dbraw/zinc/30/29/92/349302992.db2.gz IREBLDXZOPDDNM-UHFFFAOYSA-N 0 3 240.347 0.607 20 70 BCIDHN NCC(=O)N[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000161019492 349363044 /nfs/dbraw/zinc/36/30/44/349363044.db2.gz HEXIETGMHLLYPG-HZGVNTEJSA-N 0 3 226.226 0.896 20 70 BCIDHN C[C@H](C(N)=O)N1CC[C@@H](N2CCCC2)C1 ZINC000217370307 363126561 /nfs/dbraw/zinc/12/65/61/363126561.db2.gz ZOJRUCLUPCZLBD-NXEZZACHSA-N 0 3 211.309 0.030 20 70 BCIDHN CCCS(=O)(=O)N[C@H]1CCN2CCCC[C@@H]12 ZINC000218060059 134251599 /nfs/dbraw/zinc/25/15/99/134251599.db2.gz FZWXPSWBHXFUIQ-QWRGUYRKSA-N 0 3 246.376 0.943 20 70 BCIDHN CCN(CCNC(=O)CCC(C)=O)C1CC1 ZINC000217915723 134250860 /nfs/dbraw/zinc/25/08/60/134250860.db2.gz BPPXWINVEZTVBP-UHFFFAOYSA-N 0 3 226.320 0.956 20 70 BCIDHN C[C@@H](O)CCNC(=O)[C@]1(C)CCCCN1 ZINC000159564180 361255494 /nfs/dbraw/zinc/25/54/94/361255494.db2.gz OGUROWWFYZHMRN-KOLCDFICSA-N 0 3 214.309 0.406 20 70 BCIDHN CN(C)C(=O)CN(C)CCN1CCCC1 ZINC000161258870 541356865 /nfs/dbraw/zinc/35/68/65/541356865.db2.gz FSWLRHKOQPLPBB-UHFFFAOYSA-N 0 3 213.325 0.102 20 70 BCIDHN CSC[C@](C)(O)CNCc1cncnc1 ZINC000217849430 372018970 /nfs/dbraw/zinc/01/89/70/372018970.db2.gz GYXZZOGJAGSTBW-SNVBAGLBSA-N 0 3 227.333 0.680 20 70 BCIDHN CCOCCO[C@@H](C)C(=O)N1CCCNCC1 ZINC000160855545 386358929 /nfs/dbraw/zinc/35/89/29/386358929.db2.gz HTBZNDMOZLXBOY-NSHDSACASA-N 0 3 244.335 0.250 20 70 BCIDHN CC[C@H](N)C(=O)N[C@H](CCO)C(C)C ZINC000159600187 388022811 /nfs/dbraw/zinc/02/28/11/388022811.db2.gz BGZSUJIFDZUBGZ-DTWKUNHWSA-N 0 3 202.298 0.247 20 70 BCIDHN O=C(CN[C@H]1CCSC1)NCC(F)(F)F ZINC000160529440 388073579 /nfs/dbraw/zinc/07/35/79/388073579.db2.gz NTOZUNXKPLXFDI-LURJTMIESA-N 0 3 242.266 0.760 20 70 BCIDHN CCC[C@H](N)C(=O)NCC[C@H](O)C(C)C ZINC000160897962 388099044 /nfs/dbraw/zinc/09/90/44/388099044.db2.gz BKCZWLNGWILIAE-UWVGGRQHSA-N 0 3 216.325 0.637 20 70 BCIDHN CC[C@@H](CCO)NCc1cn(C)nc1C ZINC000160154920 388047756 /nfs/dbraw/zinc/04/77/56/388047756.db2.gz QAKSAFRWQUGXDV-NSHDSACASA-N 0 3 211.309 0.979 20 70 BCIDHN CCN(C)C(=O)CN[C@@H]1CS[C@@H](C)C1 ZINC000217354015 411378884 /nfs/dbraw/zinc/37/88/84/411378884.db2.gz PZBQAJHJCVEGAG-IUCAKERBSA-N 0 3 216.350 0.948 20 70 BCIDHN CC[C@H](C)[C@@H](N)C(=O)Nc1ccnn1C ZINC000160903921 171372603 /nfs/dbraw/zinc/37/26/03/171372603.db2.gz ZVZVOULXRMBRKP-IONNQARKSA-N 0 3 210.281 0.732 20 70 BCIDHN C[C@H](O)C[C@H](C)CNC(=O)[C@@H](N)C(C)(C)C ZINC000160570499 176999415 /nfs/dbraw/zinc/99/94/15/176999415.db2.gz PYEJAIWKARGOHI-LPEHRKFASA-N 0 3 230.352 0.883 20 70 BCIDHN C[C@H]1CC[C@H](C(N)=O)CN1Cc1ccnn1C ZINC000159644216 323041804 /nfs/dbraw/zinc/04/18/04/323041804.db2.gz PKMQMUVHPQIHJO-UWVGGRQHSA-N 0 3 236.319 0.506 20 70 BCIDHN CC[C@H](C)[C@@H](O)CNC(=O)[C@H](N)CCSC ZINC000159820153 323049421 /nfs/dbraw/zinc/04/94/21/323049421.db2.gz ZJCKRIDUGOEVPG-AEJSXWLSSA-N 0 3 248.392 0.590 20 70 BCIDHN COCCNCC(=O)N(C)CCSC ZINC000160014648 323075324 /nfs/dbraw/zinc/07/53/24/323075324.db2.gz NWSWCDATBKSQQH-UHFFFAOYSA-N 0 3 220.338 0.044 20 70 BCIDHN CC[C@H](N)C(=O)N(C)CCC1CCOCC1 ZINC000161403345 323075955 /nfs/dbraw/zinc/07/59/55/323075955.db2.gz RBRJHVKELAMZLQ-NSHDSACASA-N 0 3 228.336 0.999 20 70 BCIDHN CCOC(=O)[C@@H](C)CNC(=O)[C@H](N)C(C)C ZINC000160802602 323136074 /nfs/dbraw/zinc/13/60/74/323136074.db2.gz NXQXIYPTGYAXRZ-DTWKUNHWSA-N 0 3 230.308 0.285 20 70 BCIDHN CC[C@@H](CCO)NCCS(=O)(=O)CC ZINC000217815203 592149506 /nfs/dbraw/zinc/14/95/06/592149506.db2.gz IMOSWTJKXBDGIQ-VIFPVBQESA-N 0 3 223.338 0.172 20 70 BCIDHN C[C@@H](CNCCS(C)(=O)=O)N(C)C1CC1 ZINC000218564076 592164187 /nfs/dbraw/zinc/16/41/87/592164187.db2.gz UIKKWLIXCVTWAX-VIFPVBQESA-N 0 3 234.365 0.103 20 70 BCIDHN NC(=O)NC(=O)CN1CC[C@@H]2CCCC[C@@H]21 ZINC000159658868 345454777 /nfs/dbraw/zinc/45/47/77/345454777.db2.gz SBIZREHVSTXMTN-IUCAKERBSA-N 0 3 225.292 0.446 20 70 BCIDHN CC1(C)[C@H](NC(=O)C2(N)CC2)[C@@H]2CCO[C@@H]21 ZINC000159539450 345441611 /nfs/dbraw/zinc/44/16/11/345441611.db2.gz ICRRUAFBOTXJBB-YIZRAAEISA-N 0 3 224.304 0.407 20 70 BCIDHN CCC[C@@H](N)C(=O)NC(C)(C)C(=O)N(C)C ZINC000159409001 345467315 /nfs/dbraw/zinc/46/73/15/345467315.db2.gz NPWYIMGDQZPXKO-MRVPVSSYSA-N 0 3 229.324 0.097 20 70 BCIDHN CCN(CCCO)Cc1cnc(N)s1 ZINC000161300810 346167920 /nfs/dbraw/zinc/16/79/20/346167920.db2.gz XIGMGPVHTKDNLY-UHFFFAOYSA-N 0 3 215.322 0.930 20 70 BCIDHN CCC[C@@H](O)CNC(=O)[C@H](CC)N(C)C ZINC000160421763 346453181 /nfs/dbraw/zinc/45/31/81/346453181.db2.gz OWYDQPQDRFVCQZ-ZJUUUORDSA-N 0 3 216.325 0.604 20 70 BCIDHN CCCN1CCCN(C(=O)COC)CC1 ZINC000160360440 347638131 /nfs/dbraw/zinc/63/81/31/347638131.db2.gz OFXTXZGZOBNWGF-UHFFFAOYSA-N 0 3 214.309 0.577 20 70 BCIDHN C[C@@H](N)C(=O)NCc1cccc(-c2nc[nH]n2)c1 ZINC000160837485 349324194 /nfs/dbraw/zinc/32/41/94/349324194.db2.gz ZUXXKYIYOQGMNP-MRVPVSSYSA-N 0 3 245.286 0.435 20 70 BCIDHN CCCCN(C)CCNC(=O)N[C@@H](C)CCO ZINC000159813049 351005970 /nfs/dbraw/zinc/00/59/70/351005970.db2.gz IOAATQUDCBQCCV-NSHDSACASA-N 0 3 245.367 0.788 20 70 BCIDHN NC(=O)[C@H]1CCN(Cc2cnc(N)s2)C1 ZINC000218310133 363129676 /nfs/dbraw/zinc/12/96/76/363129676.db2.gz IXKVOYHYKUWUTB-LURJTMIESA-N 0 3 226.305 0.033 20 70 BCIDHN Cc1nn(C)cc1CN[C@@H](C)[C@H](C)CO ZINC000160153658 187870941 /nfs/dbraw/zinc/87/09/41/187870941.db2.gz PQROCBTWNQNALV-BDAKNGLRSA-N 0 3 211.309 0.835 20 70 BCIDHN O=C1NCCCC[C@H]1N1CCC[C@@H](O)C1 ZINC000217786780 134249763 /nfs/dbraw/zinc/24/97/63/134249763.db2.gz VDHDEFBVMMDBLY-NXEZZACHSA-N 0 3 212.293 0.112 20 70 BCIDHN C[C@H](O)CCNC(=O)[C@]1(C)CCCCN1 ZINC000159564046 361255542 /nfs/dbraw/zinc/25/55/42/361255542.db2.gz OGUROWWFYZHMRN-ONGXEEELSA-N 0 3 214.309 0.406 20 70 BCIDHN O=C(NCC1CCN(CCO)CC1)C1CC1 ZINC000160580305 182147305 /nfs/dbraw/zinc/14/73/05/182147305.db2.gz BKIVGCPVVNOPHH-UHFFFAOYSA-N 0 3 226.320 0.217 20 70 BCIDHN CN(C)CCNC(=O)c1ccc2nnn(C)c2c1 ZINC000159672798 384348808 /nfs/dbraw/zinc/34/88/08/384348808.db2.gz MXYZZHULQMDTJN-UHFFFAOYSA-N 0 3 247.302 0.260 20 70 BCIDHN NC(=O)CN1CCN(CCC2CCCC2)CC1 ZINC000159696678 384351589 /nfs/dbraw/zinc/35/15/89/384351589.db2.gz FSRFALGMXJRSFG-UHFFFAOYSA-N 0 3 239.363 0.670 20 70 BCIDHN CC[C@H](O)CN[C@H](C)CS(=O)(=O)CC ZINC000217327686 384478691 /nfs/dbraw/zinc/47/86/91/384478691.db2.gz YSZZCSLAEUDVKX-BDAKNGLRSA-N 0 3 223.338 0.170 20 70 BCIDHN CCO[C@@H]1C[C@H](NC(=O)CNC)C12CCC2 ZINC000160992188 385297885 /nfs/dbraw/zinc/29/78/85/385297885.db2.gz QIAMTADRUDLLPN-VHSXEESVSA-N 0 3 226.320 0.670 20 70 BCIDHN CC(C)[C@@H](N)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000159614761 386064740 /nfs/dbraw/zinc/06/47/40/386064740.db2.gz UHHJFXIMRNAINF-OUAUKWLOSA-N 0 3 225.336 0.323 20 70 BCIDHN CCOCCO[C@H](C)C(=O)N1CCCNCC1 ZINC000160855668 386358586 /nfs/dbraw/zinc/35/85/86/386358586.db2.gz HTBZNDMOZLXBOY-LLVKDONJSA-N 0 3 244.335 0.250 20 70 BCIDHN CC(C)(C)C(=O)NCC1CCN(CCO)CC1 ZINC000160673472 387112359 /nfs/dbraw/zinc/11/23/59/387112359.db2.gz DRPPCAVHAUQFEN-UHFFFAOYSA-N 0 3 242.363 0.853 20 70 BCIDHN C[C@H](C(=O)N(C)C)N1CCC[C@@H](N(C)C)C1 ZINC000217146636 387252430 /nfs/dbraw/zinc/25/24/30/387252430.db2.gz FKJJRDLOUSEZJL-GHMZBOCLSA-N 0 3 227.352 0.489 20 70 BCIDHN CN1CCC(NC(=O)N[C@@H]2CCOC2)CC1 ZINC000159420114 388012529 /nfs/dbraw/zinc/01/25/29/388012529.db2.gz WNVMFLPFLNMELD-SNVBAGLBSA-N 0 3 227.308 0.169 20 70 BCIDHN C[C@@H](O)C[C@@H](C)CNC(=O)[C@@H](N)C(C)(C)C ZINC000160570383 388075341 /nfs/dbraw/zinc/07/53/41/388075341.db2.gz PYEJAIWKARGOHI-OPRDCNLKSA-N 0 3 230.352 0.883 20 70 BCIDHN CC[C@H](CCO)NCc1cnn(C)c1C ZINC000160155591 388048538 /nfs/dbraw/zinc/04/85/38/388048538.db2.gz QFWYZQLAXBMEQK-LLVKDONJSA-N 0 3 211.309 0.979 20 70 BCIDHN Cc1c(CN[C@@H](C)[C@H](C)CO)cnn1C ZINC000160154653 388048607 /nfs/dbraw/zinc/04/86/07/388048607.db2.gz BBHMAZVJHWCFIC-BDAKNGLRSA-N 0 3 211.309 0.835 20 70 BCIDHN COCC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000217724339 134250393 /nfs/dbraw/zinc/25/03/93/134250393.db2.gz MPKMBVMKKAVXCV-ZJUUUORDSA-N 0 3 212.293 0.328 20 70 BCIDHN CC(=O)CCC(=O)NC[C@H](C)N(C)C1CC1 ZINC000217916626 134251111 /nfs/dbraw/zinc/25/11/11/134251111.db2.gz PYDVCKOMCUNACY-VIFPVBQESA-N 0 3 226.320 0.955 20 70 BCIDHN COC(=O)CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC000159621528 134784250 /nfs/dbraw/zinc/78/42/50/134784250.db2.gz QYXPHKLJXACJBB-LLVKDONJSA-N 0 3 244.335 0.642 20 70 BCIDHN CC[C@H](N)C(=O)N[C@@H](C)c1cnn(C)c1 ZINC000159583025 397948329 /nfs/dbraw/zinc/94/83/29/397948329.db2.gz MIZPEEGQGPUMSR-CBAPKCEASA-N 0 3 210.281 0.335 20 70 BCIDHN CCN(C)C(=O)CN[C@H]1CS[C@@H](C)C1 ZINC000217354099 411378925 /nfs/dbraw/zinc/37/89/25/411378925.db2.gz PZBQAJHJCVEGAG-DTWKUNHWSA-N 0 3 216.350 0.948 20 70 BCIDHN CCOC(=O)[C@@H](C)CNC(=O)C(C)(C)N ZINC000160799905 170245333 /nfs/dbraw/zinc/24/53/33/170245333.db2.gz YVNVVHPXJZUEFV-ZETCQYMHSA-N 0 3 216.281 0.039 20 70 BCIDHN Cn1cncc1CNC[C@H]1CCCN1C ZINC000218140769 173034549 /nfs/dbraw/zinc/03/45/49/173034549.db2.gz SUIIPSABSFOAQF-SNVBAGLBSA-N 0 3 208.309 0.604 20 70 BCIDHN C[C@H]1CC[C@@H](C(N)=O)CN1Cc1ccnn1C ZINC000159644480 323041847 /nfs/dbraw/zinc/04/18/47/323041847.db2.gz PKMQMUVHPQIHJO-VHSXEESVSA-N 0 3 236.319 0.506 20 70 BCIDHN CCC(CC)(CNCC(=O)N(C)C)C(=O)OC ZINC000159664408 323043400 /nfs/dbraw/zinc/04/34/00/323043400.db2.gz VDHUTOXHDZCXJU-UHFFFAOYSA-N 0 3 244.335 0.644 20 70 BCIDHN CC[C@@H](C)CN(CC)[C@@H](C)C(=O)NC(N)=O ZINC000160595927 323073424 /nfs/dbraw/zinc/07/34/24/323073424.db2.gz LHUMHLVWSPOOPM-BDAKNGLRSA-N 0 3 229.324 0.938 20 70 BCIDHN CN1CCC[C@H](NC(=O)N[C@@H]2CCOC2)C1 ZINC000159423118 566450669 /nfs/dbraw/zinc/45/06/69/566450669.db2.gz XUJAUOLDRHSZOW-VHSXEESVSA-N 0 3 227.308 0.169 20 70 BCIDHN CCCCN(CCOC)C(=O)[C@@H](C)N ZINC000159551217 398342118 /nfs/dbraw/zinc/34/21/18/398342118.db2.gz PGQQARLMTMOVKW-SECBINFHSA-N 0 3 202.298 0.609 20 70 BCIDHN CC[C@@H](O)CCNC(=O)CNC1CC1 ZINC000159619207 343202554 /nfs/dbraw/zinc/20/25/54/343202554.db2.gz QCIPDHRLNUIMAN-SECBINFHSA-N 0 3 200.282 0.016 20 70 BCIDHN C[C@@H](N)C(=O)Nc1cccc(-c2nc[nH]n2)c1 ZINC000159503305 345439333 /nfs/dbraw/zinc/43/93/33/345439333.db2.gz HVVBUWFOXAJGTR-SSDOTTSWSA-N 0 3 231.259 0.757 20 70 BCIDHN CC(C)[C@@H](C(=O)N1CCC[C@H](O)C1)N(C)C ZINC000159823215 345559222 /nfs/dbraw/zinc/55/92/22/345559222.db2.gz WZFJGXVFYPPOBU-QWRGUYRKSA-N 0 3 228.336 0.556 20 70 BCIDHN CN(CCN1CCCC1)C(=O)N[C@H]1CCOC1 ZINC000159456571 346421391 /nfs/dbraw/zinc/42/13/91/346421391.db2.gz AGUOBALFNBVMDU-NSHDSACASA-N 0 3 241.335 0.513 20 70 BCIDHN COCCN(C)CCNC(=O)C1CCOCC1 ZINC000161063905 346473646 /nfs/dbraw/zinc/47/36/46/346473646.db2.gz XQWHTILHEZVVAH-UHFFFAOYSA-N 0 3 244.335 0.107 20 70 BCIDHN CC(C)[C@H](N)C(=O)Nc1cccn(C)c1=O ZINC000159676429 191117532 /nfs/dbraw/zinc/11/75/32/191117532.db2.gz XIZHRKQNZJRWKP-VIFPVBQESA-N 0 3 223.276 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